----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:50:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.912345091208537 0.000000000000000 0.000000000000000 b -2.456172545604268 4.254215641142378 0.000000000000000 c 0.000000000000000 0.000000000000000 5.478510570000000 Atomic positions (fractional): *1 O 0.61534794699823 0.61534794699823 0.30913240099948 15.999 2 O 0.00000000000000 0.38465205300177 0.30913240099948 15.999 3 O 0.38465205300177 0.00000000000000 0.30913240099948 15.999 4 O 0.00000000000000 0.61534794699823 0.69086759900052 15.999 5 O 0.61534794699823 0.00000000000000 0.69086759900052 15.999 6 O 0.38465205300177 0.38465205300177 0.69086759900052 15.999 *7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 *9 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.912345091208537 0.000000000000000 0.000000000000000 b -2.456172545604268 4.254215641142378 0.000000000000000 c 0.000000000000000 0.000000000000000 5.478510570000000 Atomic positions (fractional): *1 O 0.61534794699823 0.61534794699823 0.30913240099948 15.999 > 1 2 O 0.00000000000000 0.38465205300177 0.30913240099948 15.999 > 2 3 O 0.38465205300177 0.00000000000000 0.30913240099948 15.999 > 3 4 O 0.00000000000000 0.61534794699823 0.69086759900052 15.999 > 4 5 O 0.61534794699823 0.00000000000000 0.69086759900052 15.999 > 5 6 O 0.38465205300177 0.38465205300177 0.69086759900052 15.999 > 6 *7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 7 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 8 *9 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.824690182417074 0.000000000000000 0.000000000000000 b -4.912345091208536 8.508431282284755 0.000000000000000 c 0.000000000000000 0.000000000000000 10.957021140000000 Atomic positions (fractional): *1 O 0.30767397349911 0.30767397349911 0.15456620049974 15.999 > 1 2 O 0.80767397349911 0.30767397349911 0.15456620049974 15.999 > 1 3 O 0.30767397349911 0.80767397349911 0.15456620049974 15.999 > 1 4 O 0.80767397349911 0.80767397349911 0.15456620049974 15.999 > 1 5 O 0.30767397349911 0.30767397349911 0.65456620049974 15.999 > 1 6 O 0.80767397349911 0.30767397349911 0.65456620049974 15.999 > 1 7 O 0.30767397349911 0.80767397349911 0.65456620049974 15.999 > 1 8 O 0.80767397349911 0.80767397349911 0.65456620049974 15.999 > 1 9 O 0.00000000000000 0.19232602650089 0.15456620049974 15.999 > 2 10 O 0.50000000000000 0.19232602650089 0.15456620049974 15.999 > 2 11 O 0.00000000000000 0.69232602650089 0.15456620049974 15.999 > 2 12 O 0.50000000000000 0.69232602650089 0.15456620049974 15.999 > 2 13 O 0.00000000000000 0.19232602650089 0.65456620049974 15.999 > 2 14 O 0.50000000000000 0.19232602650089 0.65456620049974 15.999 > 2 15 O 0.00000000000000 0.69232602650089 0.65456620049974 15.999 > 2 16 O 0.50000000000000 0.69232602650089 0.65456620049974 15.999 > 2 17 O 0.19232602650089 0.00000000000000 0.15456620049974 15.999 > 3 18 O 0.69232602650089 0.00000000000000 0.15456620049974 15.999 > 3 19 O 0.19232602650089 0.50000000000000 0.15456620049974 15.999 > 3 20 O 0.69232602650089 0.50000000000000 0.15456620049974 15.999 > 3 21 O 0.19232602650089 0.00000000000000 0.65456620049974 15.999 > 3 22 O 0.69232602650089 0.00000000000000 0.65456620049974 15.999 > 3 23 O 0.19232602650089 0.50000000000000 0.65456620049974 15.999 > 3 24 O 0.69232602650089 0.50000000000000 0.65456620049974 15.999 > 3 25 O 0.00000000000000 0.30767397349911 0.34543379950026 15.999 > 4 26 O 0.50000000000000 0.30767397349911 0.34543379950026 15.999 > 4 27 O 0.00000000000000 0.80767397349911 0.34543379950026 15.999 > 4 28 O 0.50000000000000 0.80767397349911 0.34543379950026 15.999 > 4 29 O 0.00000000000000 0.30767397349911 0.84543379950026 15.999 > 4 30 O 0.50000000000000 0.30767397349911 0.84543379950026 15.999 > 4 31 O 0.00000000000000 0.80767397349911 0.84543379950026 15.999 > 4 32 O 0.50000000000000 0.80767397349911 0.84543379950026 15.999 > 4 33 O 0.30767397349911 0.00000000000000 0.34543379950026 15.999 > 5 34 O 0.80767397349911 0.00000000000000 0.34543379950026 15.999 > 5 35 O 0.30767397349911 0.50000000000000 0.34543379950026 15.999 > 5 36 O 0.80767397349911 0.50000000000000 0.34543379950026 15.999 > 5 37 O 0.30767397349911 0.00000000000000 0.84543379950026 15.999 > 5 38 O 0.80767397349911 0.00000000000000 0.84543379950026 15.999 > 5 39 O 0.30767397349911 0.50000000000000 0.84543379950026 15.999 > 5 40 O 0.80767397349911 0.50000000000000 0.84543379950026 15.999 > 5 41 O 0.19232602650089 0.19232602650089 0.34543379950026 15.999 > 6 42 O 0.69232602650089 0.19232602650089 0.34543379950026 15.999 > 6 43 O 0.19232602650089 0.69232602650089 0.34543379950026 15.999 > 6 44 O 0.69232602650089 0.69232602650089 0.34543379950026 15.999 > 6 45 O 0.19232602650089 0.19232602650089 0.84543379950026 15.999 > 6 46 O 0.69232602650089 0.19232602650089 0.84543379950026 15.999 > 6 47 O 0.19232602650089 0.69232602650089 0.84543379950026 15.999 > 6 48 O 0.69232602650089 0.69232602650089 0.84543379950026 15.999 > 6 *49 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 7 50 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 7 51 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 7 52 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 7 53 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 7 54 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 7 55 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 7 56 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 7 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 8 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 8 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 8 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 8 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 8 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 8 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 8 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 8 *65 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 9 66 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 9 67 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 9 68 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 9 69 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 9 70 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 9 71 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 9 72 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5134597 -0.0000000 0.0000000 -0.0000000 4.5134597 0.0000000 0.0000000 0.0000000 4.5273499 -------------------------- Born effective charges -------------------------- 1 O -2.2527178 0.1999938 0.4031050 0.1999938 -2.0217848 0.6981984 0.3568065 0.6180070 -1.9451418 2 O -2.2527178 -0.1999938 0.4031050 -0.1999938 -2.0217848 -0.6981984 0.3568065 -0.6180070 -1.9451418 3 O -1.9063183 0.0000000 -0.8062100 -0.0000000 -2.3681842 -0.0000000 -0.7136130 -0.0000000 -1.9451418 4 O -2.2527178 -0.1999938 0.4031050 -0.1999938 -2.0217848 -0.6981984 0.3568065 -0.6180070 -1.9451418 5 O -1.9063183 0.0000000 -0.8062100 -0.0000000 -2.3681842 -0.0000000 -0.7136130 -0.0000000 -1.9451418 6 O -2.2527178 0.1999938 0.4031050 0.1999938 -2.0217848 0.6981984 0.3568065 0.6180070 -1.9451418 7 As 4.9032702 -0.0000000 0.0000000 0.0000000 4.9032702 -0.0000000 0.0000000 0.0000000 3.4157625 8 As 4.9032702 -0.0000000 0.0000000 0.0000000 4.9032702 -0.0000000 0.0000000 0.0000000 3.4157625 9 Pb 3.0169673 -0.0000000 0.0000000 -0.0000000 3.0169673 -0.0000000 0.0000000 0.0000000 4.8393260 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 52 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (52, 49), data: True |-- (106, 104), data: True |-- (140, 136), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.184 Solver_block: 160 / 160 - Time: 0.098 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.287 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 52 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (52, 49), data: True |-- (106, 104), data: True |-- (140, 136), 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 2026-01-08 04:50:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:50:24]------------------------- 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: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.912345091208537 0.000000000000000 0.000000000000000 b -2.456172545604268 4.254215641142378 0.000000000000000 c 0.000000000000000 0.000000000000000 5.478510570000000 Atomic positions (fractional): 1 O 0.61534794699823 0.61534794699823 0.30913240099948 15.999 2 O 0.00000000000000 0.38465205300177 0.30913240099948 15.999 3 O 0.38465205300177 0.00000000000000 0.30913240099948 15.999 4 O 0.00000000000000 0.61534794699823 0.69086759900052 15.999 5 O 0.61534794699823 0.00000000000000 0.69086759900052 15.999 6 O 0.38465205300177 0.38465205300177 0.69086759900052 15.999 7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 9 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.824690182417074 0.000000000000000 0.000000000000000 b -4.912345091208536 8.508431282284755 0.000000000000000 c 0.000000000000000 0.000000000000000 10.957021140000000 Atomic positions (fractional): 1 O 0.30767397349911 0.30767397349911 0.15456620049974 15.999 > 1 2 O 0.80767397349911 0.30767397349911 0.15456620049974 15.999 > 1 3 O 0.30767397349911 0.80767397349911 0.15456620049974 15.999 > 1 4 O 0.80767397349911 0.80767397349911 0.15456620049974 15.999 > 1 5 O 0.30767397349911 0.30767397349911 0.65456620049974 15.999 > 1 6 O 0.80767397349911 0.30767397349911 0.65456620049974 15.999 > 1 7 O 0.30767397349911 0.80767397349911 0.65456620049974 15.999 > 1 8 O 0.80767397349911 0.80767397349911 0.65456620049974 15.999 > 1 9 O 0.00000000000000 0.19232602650089 0.15456620049974 15.999 > 9 10 O 0.50000000000000 0.19232602650089 0.15456620049974 15.999 > 9 11 O 0.00000000000000 0.69232602650089 0.15456620049974 15.999 > 9 12 O 0.50000000000000 0.69232602650089 0.15456620049974 15.999 > 9 13 O 0.00000000000000 0.19232602650089 0.65456620049974 15.999 > 9 14 O 0.50000000000000 0.19232602650089 0.65456620049974 15.999 > 9 15 O 0.00000000000000 0.69232602650089 0.65456620049974 15.999 > 9 16 O 0.50000000000000 0.69232602650089 0.65456620049974 15.999 > 9 17 O 0.19232602650089 0.00000000000000 0.15456620049974 15.999 > 17 18 O 0.69232602650089 0.00000000000000 0.15456620049974 15.999 > 17 19 O 0.19232602650089 0.50000000000000 0.15456620049974 15.999 > 17 20 O 0.69232602650089 0.50000000000000 0.15456620049974 15.999 > 17 21 O 0.19232602650089 0.00000000000000 0.65456620049974 15.999 > 17 22 O 0.69232602650089 0.00000000000000 0.65456620049974 15.999 > 17 23 O 0.19232602650089 0.50000000000000 0.65456620049974 15.999 > 17 24 O 0.69232602650089 0.50000000000000 0.65456620049974 15.999 > 17 25 O 0.00000000000000 0.30767397349911 0.34543379950026 15.999 > 25 26 O 0.50000000000000 0.30767397349911 0.34543379950026 15.999 > 25 27 O 0.00000000000000 0.80767397349911 0.34543379950026 15.999 > 25 28 O 0.50000000000000 0.80767397349911 0.34543379950026 15.999 > 25 29 O 0.00000000000000 0.30767397349911 0.84543379950026 15.999 > 25 30 O 0.50000000000000 0.30767397349911 0.84543379950026 15.999 > 25 31 O 0.00000000000000 0.80767397349911 0.84543379950026 15.999 > 25 32 O 0.50000000000000 0.80767397349911 0.84543379950026 15.999 > 25 33 O 0.30767397349911 0.00000000000000 0.34543379950026 15.999 > 33 34 O 0.80767397349911 0.00000000000000 0.34543379950026 15.999 > 33 35 O 0.30767397349911 0.50000000000000 0.34543379950026 15.999 > 33 36 O 0.80767397349911 0.50000000000000 0.34543379950026 15.999 > 33 37 O 0.30767397349911 0.00000000000000 0.84543379950026 15.999 > 33 38 O 0.80767397349911 0.00000000000000 0.84543379950026 15.999 > 33 39 O 0.30767397349911 0.50000000000000 0.84543379950026 15.999 > 33 40 O 0.80767397349911 0.50000000000000 0.84543379950026 15.999 > 33 41 O 0.19232602650089 0.19232602650089 0.34543379950026 15.999 > 41 42 O 0.69232602650089 0.19232602650089 0.34543379950026 15.999 > 41 43 O 0.19232602650089 0.69232602650089 0.34543379950026 15.999 > 41 44 O 0.69232602650089 0.69232602650089 0.34543379950026 15.999 > 41 45 O 0.19232602650089 0.19232602650089 0.84543379950026 15.999 > 41 46 O 0.69232602650089 0.19232602650089 0.84543379950026 15.999 > 41 47 O 0.19232602650089 0.69232602650089 0.84543379950026 15.999 > 41 48 O 0.69232602650089 0.69232602650089 0.84543379950026 15.999 > 41 49 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 49 50 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 49 51 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 49 52 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 49 53 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 49 54 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 49 55 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 49 56 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 49 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 57 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 57 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 57 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 57 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 57 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 57 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 57 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 57 65 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 65 66 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 65 67 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 65 68 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 65 69 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 65 70 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 65 71 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 65 72 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5134597 -0.0000000 0.0000000 -0.0000000 4.5134597 0.0000000 0.0000000 0.0000000 4.5273499 -------------------------- Born effective charges -------------------------- 1 O -2.2527178 0.1999938 0.4031050 0.1999938 -2.0217848 0.6981984 0.3568065 0.6180070 -1.9451418 2 O -2.2527178 -0.1999938 0.4031050 -0.1999938 -2.0217848 -0.6981984 0.3568065 -0.6180070 -1.9451418 3 O -1.9063183 0.0000000 -0.8062100 -0.0000000 -2.3681842 -0.0000000 -0.7136130 -0.0000000 -1.9451418 4 O -2.2527178 -0.1999938 0.4031050 -0.1999938 -2.0217848 -0.6981984 0.3568065 -0.6180070 -1.9451418 5 O -1.9063183 0.0000000 -0.8062100 -0.0000000 -2.3681842 -0.0000000 -0.7136130 -0.0000000 -1.9451418 6 O -2.2527178 0.1999938 0.4031050 0.1999938 -2.0217848 0.6981984 0.3568065 0.6180070 -1.9451418 7 As 4.9032702 -0.0000000 0.0000000 0.0000000 4.9032702 -0.0000000 0.0000000 0.0000000 3.4157625 8 As 4.9032702 -0.0000000 0.0000000 0.0000000 4.9032702 -0.0000000 0.0000000 0.0000000 3.4157625 9 Pb 3.0169673 -0.0000000 0.0000000 -0.0000000 3.0169673 -0.0000000 0.0000000 0.0000000 4.8393260 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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: 0.00000039 (zzz) 0.00000039 (zzz) 0.00000039 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000145 (xz) -0.00000145 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:50:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:50:28]------------------------- 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: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.912345091208537 0.000000000000000 0.000000000000000 b -2.456172545604268 4.254215641142378 0.000000000000000 c 0.000000000000000 0.000000000000000 5.478510570000000 Atomic positions (fractional): 1 O 0.61534794699823 0.61534794699823 0.30913240099948 15.999 2 O 0.00000000000000 0.38465205300177 0.30913240099948 15.999 3 O 0.38465205300177 0.00000000000000 0.30913240099948 15.999 4 O 0.00000000000000 0.61534794699823 0.69086759900052 15.999 5 O 0.61534794699823 0.00000000000000 0.69086759900052 15.999 6 O 0.38465205300177 0.38465205300177 0.69086759900052 15.999 7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 9 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.824690182417074 0.000000000000000 0.000000000000000 b -4.912345091208536 8.508431282284755 0.000000000000000 c 0.000000000000000 0.000000000000000 10.957021140000000 Atomic positions (fractional): 1 O 0.30767397349911 0.30767397349911 0.15456620049974 15.999 > 1 2 O 0.80767397349911 0.30767397349911 0.15456620049974 15.999 > 1 3 O 0.30767397349911 0.80767397349911 0.15456620049974 15.999 > 1 4 O 0.80767397349911 0.80767397349911 0.15456620049974 15.999 > 1 5 O 0.30767397349911 0.30767397349911 0.65456620049974 15.999 > 1 6 O 0.80767397349911 0.30767397349911 0.65456620049974 15.999 > 1 7 O 0.30767397349911 0.80767397349911 0.65456620049974 15.999 > 1 8 O 0.80767397349911 0.80767397349911 0.65456620049974 15.999 > 1 9 O 0.00000000000000 0.19232602650089 0.15456620049974 15.999 > 9 10 O 0.50000000000000 0.19232602650089 0.15456620049974 15.999 > 9 11 O 0.00000000000000 0.69232602650089 0.15456620049974 15.999 > 9 12 O 0.50000000000000 0.69232602650089 0.15456620049974 15.999 > 9 13 O 0.00000000000000 0.19232602650089 0.65456620049974 15.999 > 9 14 O 0.50000000000000 0.19232602650089 0.65456620049974 15.999 > 9 15 O 0.00000000000000 0.69232602650089 0.65456620049974 15.999 > 9 16 O 0.50000000000000 0.69232602650089 0.65456620049974 15.999 > 9 17 O 0.19232602650089 0.00000000000000 0.15456620049974 15.999 > 17 18 O 0.69232602650089 0.00000000000000 0.15456620049974 15.999 > 17 19 O 0.19232602650089 0.50000000000000 0.15456620049974 15.999 > 17 20 O 0.69232602650089 0.50000000000000 0.15456620049974 15.999 > 17 21 O 0.19232602650089 0.00000000000000 0.65456620049974 15.999 > 17 22 O 0.69232602650089 0.00000000000000 0.65456620049974 15.999 > 17 23 O 0.19232602650089 0.50000000000000 0.65456620049974 15.999 > 17 24 O 0.69232602650089 0.50000000000000 0.65456620049974 15.999 > 17 25 O 0.00000000000000 0.30767397349911 0.34543379950026 15.999 > 25 26 O 0.50000000000000 0.30767397349911 0.34543379950026 15.999 > 25 27 O 0.00000000000000 0.80767397349911 0.34543379950026 15.999 > 25 28 O 0.50000000000000 0.80767397349911 0.34543379950026 15.999 > 25 29 O 0.00000000000000 0.30767397349911 0.84543379950026 15.999 > 25 30 O 0.50000000000000 0.30767397349911 0.84543379950026 15.999 > 25 31 O 0.00000000000000 0.80767397349911 0.84543379950026 15.999 > 25 32 O 0.50000000000000 0.80767397349911 0.84543379950026 15.999 > 25 33 O 0.30767397349911 0.00000000000000 0.34543379950026 15.999 > 33 34 O 0.80767397349911 0.00000000000000 0.34543379950026 15.999 > 33 35 O 0.30767397349911 0.50000000000000 0.34543379950026 15.999 > 33 36 O 0.80767397349911 0.50000000000000 0.34543379950026 15.999 > 33 37 O 0.30767397349911 0.00000000000000 0.84543379950026 15.999 > 33 38 O 0.80767397349911 0.00000000000000 0.84543379950026 15.999 > 33 39 O 0.30767397349911 0.50000000000000 0.84543379950026 15.999 > 33 40 O 0.80767397349911 0.50000000000000 0.84543379950026 15.999 > 33 41 O 0.19232602650089 0.19232602650089 0.34543379950026 15.999 > 41 42 O 0.69232602650089 0.19232602650089 0.34543379950026 15.999 > 41 43 O 0.19232602650089 0.69232602650089 0.34543379950026 15.999 > 41 44 O 0.69232602650089 0.69232602650089 0.34543379950026 15.999 > 41 45 O 0.19232602650089 0.19232602650089 0.84543379950026 15.999 > 41 46 O 0.69232602650089 0.19232602650089 0.84543379950026 15.999 > 41 47 O 0.19232602650089 0.69232602650089 0.84543379950026 15.999 > 41 48 O 0.69232602650089 0.69232602650089 0.84543379950026 15.999 > 41 49 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 49 50 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 49 51 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 49 52 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 49 53 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 49 54 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 49 55 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 49 56 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 49 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 57 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 57 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 57 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 57 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 57 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 57 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 57 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 57 65 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 65 66 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 65 67 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 65 68 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 65 69 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 65 70 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 65 71 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 65 72 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5134597 -0.0000000 0.0000000 -0.0000000 4.5134597 0.0000000 0.0000000 0.0000000 4.5273499 -------------------------- Born effective charges -------------------------- 1 O -2.2527178 0.1999938 0.4031050 0.1999938 -2.0217848 0.6981984 0.3568065 0.6180070 -1.9451418 2 O -2.2527178 -0.1999938 0.4031050 -0.1999938 -2.0217848 -0.6981984 0.3568065 -0.6180070 -1.9451418 3 O -1.9063183 0.0000000 -0.8062100 -0.0000000 -2.3681842 -0.0000000 -0.7136130 -0.0000000 -1.9451418 4 O -2.2527178 -0.1999938 0.4031050 -0.1999938 -2.0217848 -0.6981984 0.3568065 -0.6180070 -1.9451418 5 O -1.9063183 0.0000000 -0.8062100 -0.0000000 -2.3681842 -0.0000000 -0.7136130 -0.0000000 -1.9451418 6 O -2.2527178 0.1999938 0.4031050 0.1999938 -2.0217848 0.6981984 0.3568065 0.6180070 -1.9451418 7 As 4.9032702 -0.0000000 0.0000000 0.0000000 4.9032702 -0.0000000 0.0000000 0.0000000 3.4157625 8 As 4.9032702 -0.0000000 0.0000000 0.0000000 4.9032702 -0.0000000 0.0000000 0.0000000 3.4157625 9 Pb 3.0169673 -0.0000000 0.0000000 -0.0000000 3.0169673 -0.0000000 0.0000000 0.0000000 4.8393260 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000039 (zzz) 0.00000039 (zzz) 0.00000039 (zzz) 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 ... [ 12 12 9 ] 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: 0.86, Number of G-points: 303, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/143) ======================= 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 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 2.525 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 11.570 ( 0.000 0.000 0.000) 0.000 11.570 ( 0.000 0.000 0.000) 0.000 14.337 ( 0.000 0.000 0.000) 0.000 14.337 ( 0.000 0.000 0.000) 0.000 14.425 ( 0.000 0.000 0.000) 0.000 14.425 ( 0.000 0.000 0.000) 0.000 16.137 ( 0.000 0.000 0.000) 0.000 16.137 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 0.000 0.000) 0.000 18.110 ( 0.000 0.000 0.000) 0.000 19.858 ( 0.000 0.000 0.000) 0.000 20.957 ( 0.000 0.000 0.000) 0.000 21.230 ( 0.000 0.000 0.000) 0.000 21.230 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/143) ======================= q-point: ( 0.08 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 17.894 10.331 0.000) 20.662 0.663 ( 28.280 16.328 0.000) 32.655 1.221 ( 48.463 27.980 0.000) 55.960 2.523 ( 0.022 0.013 0.000) 0.025 2.588 ( -1.481 -0.855 0.000) 1.711 3.152 ( 11.184 6.457 0.000) 12.914 5.846 ( -2.749 -1.587 0.000) 3.174 7.049 ( -3.040 -1.755 0.000) 3.510 7.102 ( 1.143 0.660 0.000) 1.320 8.440 ( 2.993 1.728 0.000) 3.455 9.741 ( -0.094 -0.055 0.000) 0.109 9.794 ( -6.763 -3.905 0.000) 7.810 10.733 ( 5.051 2.916 0.000) 5.832 11.506 ( -4.874 -2.814 0.000) 5.628 11.609 ( 3.303 1.907 0.000) 3.814 14.298 ( -0.281 -0.162 0.000) 0.325 14.395 ( -2.523 -1.457 0.000) 2.913 14.590 ( 11.187 6.459 0.000) 12.918 16.113 ( -1.905 -1.100 0.000) 2.200 16.145 ( 7.092 4.094 0.000) 8.189 17.870 ( -1.697 -0.980 0.000) 1.959 18.098 ( -1.076 -0.621 0.000) 1.242 19.867 ( 0.207 0.120 0.000) 0.239 20.062 ( -2.097 -1.211 0.000) 2.422 20.954 ( -0.230 -0.133 0.000) 0.265 21.209 ( -1.841 -1.063 0.000) 2.126 21.222 ( -0.679 -0.392 0.000) 0.784 ======================= Grid point 2 (3/143) ======================= q-point: ( 0.17 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 17.319 9.999 0.000) 19.998 1.246 ( 22.294 12.872 0.000) 25.743 2.022 ( 20.267 11.701 0.000) 23.402 2.521 ( -1.345 -0.777 0.000) 1.554 2.589 ( 4.006 2.313 0.000) 4.625 3.684 ( 37.403 21.594 0.000) 43.189 5.743 ( -6.540 -3.776 0.000) 7.552 6.987 ( -1.854 -1.070 0.000) 2.141 7.150 ( 3.317 1.915 0.000) 3.831 8.507 ( 2.624 1.515 0.000) 3.029 9.585 ( -11.420 -6.593 0.000) 13.186 9.735 ( -0.601 -0.347 0.000) 0.694 10.774 ( -5.060 -2.922 0.000) 5.843 11.438 ( 1.833 1.059 0.000) 2.117 11.706 ( 4.895 2.826 0.000) 5.652 14.319 ( -3.929 -2.268 0.000) 4.537 14.338 ( 3.373 1.947 0.000) 3.895 14.892 ( 15.106 8.721 0.000) 17.443 16.066 ( -1.808 -1.044 0.000) 2.088 16.379 ( 13.374 7.721 0.000) 15.443 17.820 ( -2.536 -1.464 0.000) 2.928 18.056 ( -2.742 -1.583 0.000) 3.166 19.809 ( -6.276 -3.624 0.000) 7.247 20.052 ( 2.098 1.211 0.000) 2.423 20.945 ( -0.658 -0.380 0.000) 0.760 21.149 ( -3.381 -1.952 0.000) 3.904 21.199 ( -1.407 -0.812 0.000) 1.625 ======================= Grid point 3 (4/143) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 14.752 8.517 0.000) 17.035 1.630 ( 11.553 6.670 0.000) 13.340 2.244 ( 2.912 1.681 0.000) 3.362 2.478 ( -1.890 -1.091 0.000) 2.183 2.813 ( 15.829 9.139 0.000) 18.278 4.721 ( 50.475 29.142 0.000) 58.284 5.545 ( -10.892 -6.289 0.000) 12.578 6.977 ( 0.926 0.534 0.000) 1.069 7.260 ( 6.481 3.742 0.000) 7.483 8.558 ( 2.187 1.263 0.000) 2.525 9.287 ( -14.658 -8.463 0.000) 16.926 9.704 ( -2.401 -1.386 0.000) 2.772 10.462 ( -20.769 -11.991 0.000) 23.982 11.609 ( 11.131 6.426 0.000) 12.853 11.813 ( 4.254 2.456 0.000) 4.912 14.228 ( -3.935 -2.272 0.000) 4.544 14.419 ( 3.082 1.779 0.000) 3.559 15.261 ( 17.305 9.991 0.000) 19.983 16.053 ( 0.934 0.539 0.000) 1.079 16.739 ( 18.215 10.517 0.000) 21.033 17.762 ( -2.513 -1.451 0.000) 2.902 17.972 ( -4.725 -2.728 0.000) 5.456 19.601 ( -11.592 -6.692 0.000) 13.385 20.134 ( 4.487 2.591 0.000) 5.181 20.923 ( -1.310 -0.756 0.000) 1.512 21.061 ( -4.254 -2.456 0.000) 4.912 21.160 ( -1.913 -1.104 0.000) 2.209 ======================= Grid point 4 (5/143) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 9.396 5.425 0.000) 10.849 1.813 ( 5.834 3.368 0.000) 6.737 2.249 ( -1.364 -0.788 0.000) 1.576 2.443 ( -1.168 -0.674 0.000) 1.349 3.262 ( 22.494 12.987 0.000) 25.974 5.252 ( -14.898 -8.601 0.000) 17.203 5.863 ( 49.208 28.410 0.000) 56.820 7.017 ( 2.272 1.312 0.000) 2.623 7.443 ( 9.598 5.541 0.000) 11.083 8.623 ( 3.736 2.157 0.000) 4.314 8.935 ( -16.027 -9.253 0.000) 18.506 9.621 ( -4.910 -2.835 0.000) 5.670 9.896 ( -28.413 -16.404 0.000) 32.809 11.865 ( 10.539 6.085 0.000) 12.169 11.889 ( 2.392 1.381 0.000) 2.762 14.149 ( -2.979 -1.720 0.000) 3.440 14.459 ( 0.364 0.210 0.000) 0.420 15.656 ( 16.986 9.807 0.000) 19.613 16.111 ( 3.959 2.286 0.000) 4.571 17.186 ( 20.772 11.993 0.000) 23.986 17.699 ( -3.599 -2.078 0.000) 4.155 17.857 ( -4.710 -2.719 0.000) 5.439 19.299 ( -14.913 -8.610 0.000) 17.220 20.239 ( 4.552 2.628 0.000) 5.257 20.884 ( -2.073 -1.197 0.000) 2.393 20.964 ( -4.050 -2.338 0.000) 4.677 21.118 ( -1.707 -0.986 0.000) 1.971 ======================= Grid point 5 (6/143) ======================= q-point: ( 0.42 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 3.890 2.246 0.000) 4.492 1.918 ( 3.416 1.972 0.000) 3.945 2.212 ( -1.519 -0.877 0.000) 1.754 2.426 ( -0.350 -0.202 0.000) 0.405 3.778 ( 21.979 12.689 0.000) 25.379 4.882 ( -17.295 -9.985 0.000) 19.971 6.900 ( 41.191 23.781 0.000) 47.563 7.065 ( 1.691 0.976 0.000) 1.952 7.668 ( 8.649 4.993 0.000) 9.987 8.599 ( -11.821 -6.825 0.000) 13.650 8.724 ( 4.683 2.704 0.000) 5.407 9.212 ( -30.990 -17.892 0.000) 35.784 9.496 ( -5.455 -3.150 0.000) 6.299 11.924 ( 0.816 0.471 0.000) 0.942 12.057 ( 6.037 3.485 0.000) 6.971 14.097 ( -1.575 -0.909 0.000) 1.819 14.448 ( -0.832 -0.480 0.000) 0.960 15.985 ( 10.688 6.171 0.000) 12.341 16.215 ( 4.959 2.863 0.000) 5.727 17.585 ( -5.693 -3.287 0.000) 6.573 17.646 ( 18.675 10.782 0.000) 21.563 17.790 ( -1.266 -0.731 0.000) 1.462 18.948 ( -15.157 -8.751 0.000) 17.502 20.329 ( 3.171 1.831 0.000) 3.661 20.835 ( -2.033 -1.174 0.000) 2.348 20.888 ( -2.524 -1.457 0.000) 2.915 21.088 ( -0.885 -0.511 0.000) 1.022 ======================= Grid point 6 (7/143) ======================= 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 7.584 ( -0.000 -0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.627 ( -0.000 -0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 11.932 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 14.079 ( 0.000 0.000 0.000) 0.000 14.437 ( 0.000 0.000 0.000) 0.000 16.102 ( 0.000 0.000 0.000) 0.000 16.291 ( 0.000 0.000 0.000) 0.000 17.507 ( 0.000 0.000 0.000) 0.000 17.779 ( 0.000 0.000 0.000) 0.000 17.907 ( 0.000 0.000 0.000) 0.000 18.727 ( 0.000 0.000 0.000) 0.000 20.368 ( 0.000 0.000 0.000) 0.000 20.808 ( 0.000 0.000 0.000) 0.000 20.858 ( 0.000 0.000 0.000) 0.000 21.078 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/143) ======================= q-point: ( 0.08 0.08 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 11.686 20.240 3.456) 23.626 1.081 ( 13.964 24.187 8.665) 29.242 1.866 ( 16.016 27.741 -7.022) 32.793 2.547 ( 1.735 3.006 -2.879) 4.509 2.567 ( -0.420 -0.727 3.754) 3.846 3.468 ( 16.579 28.716 -1.104) 33.177 5.780 ( -3.040 -5.265 -0.119) 6.081 7.001 ( -1.711 -2.964 0.848) 3.526 7.129 ( 1.610 2.788 -0.047) 3.219 8.497 ( 1.988 3.443 -0.248) 3.983 9.653 ( -5.767 -9.989 -0.320) 11.539 9.716 ( -1.459 -2.527 0.143) 2.921 10.848 ( 3.833 6.639 -1.561) 7.824 11.370 ( -5.249 -9.092 1.550) 10.613 11.705 ( 4.020 6.963 -1.274) 8.140 14.169 ( -3.134 -5.429 3.720) 7.290 14.636 ( 4.083 7.072 -0.153) 8.168 14.656 ( 6.574 11.386 -2.258) 13.340 16.074 ( -1.468 -2.543 2.546) 3.886 16.306 ( 7.037 12.188 -2.024) 14.218 17.834 ( -1.476 -2.556 4.995) 5.802 18.071 ( -1.316 -2.280 -0.362) 2.657 19.896 ( 0.928 1.608 0.290) 1.879 19.989 ( -2.923 -5.062 1.656) 6.075 20.948 ( -0.297 -0.515 -0.514) 0.785 21.179 ( -1.449 -2.510 -5.561) 6.270 21.198 ( -0.889 -1.540 -0.114) 1.782 ======================= Grid point 15 (9/143) ======================= q-point: ( 0.17 0.08 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 8.967 21.413 2.788) 23.382 1.502 ( 12.776 11.756 3.686) 17.749 2.180 ( 5.625 3.616 -4.326) 7.964 2.554 ( -2.765 4.214 3.069) 5.901 2.699 ( 9.551 10.093 -0.792) 13.918 4.284 ( 37.120 38.227 -2.307) 53.334 5.634 ( -7.006 -7.226 -0.211) 10.067 6.959 ( -0.048 -1.712 -0.431) 1.766 7.216 ( 4.106 5.148 0.098) 6.586 8.556 ( 1.178 3.073 0.781) 3.382 9.415 ( -10.423 -10.154 -0.558) 14.562 9.642 ( -0.764 -9.355 -0.579) 9.404 10.815 ( -19.416 6.462 0.309) 20.465 11.307 ( 13.867 -12.698 2.040) 18.913 11.860 ( 3.595 10.779 -1.381) 11.446 14.090 ( 1.693 -9.461 2.635) 9.966 14.658 ( -8.890 16.863 -0.603) 19.073 15.023 ( 19.748 6.465 -1.491) 20.833 16.035 ( 0.004 -1.613 4.416) 4.701 16.612 ( 12.444 15.761 -1.288) 20.123 17.778 ( -1.858 -2.658 4.670) 5.686 18.004 ( -3.109 -3.867 -0.887) 5.041 19.780 ( -12.866 -0.356 2.937) 13.202 20.008 ( 8.259 -4.839 2.638) 9.929 20.933 ( -0.783 -0.845 -1.052) 1.560 21.109 ( -3.664 -2.301 -6.570) 7.866 21.166 ( -0.798 -2.120 -3.310) 4.011 ======================= Grid point 16 (10/143) ======================= q-point: ( 0.25 0.08 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 4.203 17.092 1.379) 17.655 1.740 ( 7.450 4.443 -0.371) 8.683 2.231 ( 1.247 -2.296 -0.084) 2.614 2.555 ( -4.511 9.152 0.244) 10.206 3.073 ( 17.324 17.301 0.058) 24.484 5.338 ( 36.643 27.045 -2.640) 45.619 5.410 ( -3.748 -2.070 0.292) 4.292 6.968 ( 2.678 -1.361 -1.542) 3.377 7.368 ( 6.611 7.076 0.266) 9.688 8.603 ( 1.198 2.453 1.725) 3.229 9.115 ( -13.835 -7.870 -0.829) 15.938 9.491 ( -1.258 -18.891 -1.361) 18.982 10.420 ( -30.749 5.684 1.971) 31.332 11.481 ( 18.597 -13.384 2.836) 23.087 12.025 ( 1.801 12.950 -0.806) 13.099 14.030 ( 2.929 -10.842 1.171) 11.292 14.662 ( -9.188 14.643 -0.108) 17.288 15.434 ( 19.555 8.531 -1.334) 21.377 16.058 ( 3.381 0.522 5.490) 6.469 17.022 ( 15.991 17.902 1.013) 24.025 17.721 ( -1.937 -2.614 2.555) 4.137 17.892 ( -4.386 -5.473 -1.161) 7.109 19.514 ( -16.408 -2.804 4.859) 17.341 20.109 ( 8.726 -4.739 4.249) 10.801 20.904 ( -1.504 -1.131 -1.781) 2.591 21.019 ( -4.286 -1.972 -7.231) 8.634 21.130 ( -1.192 -1.685 -6.327) 6.655 ======================= Grid point 17 (11/143) ======================= q-point: ( 0.33 0.08 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.533 8.256 0.241) 8.277 1.882 ( 4.442 3.944 -1.855) 6.223 2.206 ( -0.374 -3.409 1.439) 3.719 2.589 ( -6.440 16.377 -1.045) 17.629 3.570 ( 19.636 17.889 -0.298) 26.565 5.081 ( -15.930 -8.340 -0.344) 17.985 6.392 ( 44.068 24.218 -1.779) 50.316 7.010 ( 3.788 -1.978 -2.153) 4.785 7.569 ( 8.456 6.585 0.275) 10.721 8.599 ( -2.837 -7.133 2.025) 7.939 8.848 ( -10.133 -0.235 -1.004) 10.185 9.226 ( -5.499 -20.626 -1.257) 21.384 9.955 ( -31.098 9.427 2.942) 32.628 11.631 ( 15.380 -15.362 3.286) 21.985 12.166 ( -0.067 12.341 0.144) 12.342 13.980 ( 3.708 -10.695 0.110) 11.321 14.634 ( -9.328 12.250 0.437) 15.403 15.828 ( 16.142 8.183 -0.267) 18.099 16.147 ( 5.100 1.716 4.744) 7.174 17.481 ( 16.707 17.366 5.602) 24.740 17.639 ( -4.676 -3.910 -1.343) 6.242 17.781 ( -1.370 -4.921 -0.471) 5.129 19.180 ( -18.622 -3.593 5.104) 19.640 20.202 ( 8.323 -6.182 5.871) 11.914 20.861 ( -2.162 -1.083 -3.388) 4.162 20.935 ( -3.633 -0.783 -7.126) 8.037 21.098 ( -1.019 -0.828 -8.492) 8.593 ======================= Grid point 18 (12/143) ======================= q-point: ( 0.42 0.08 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -0.757 3.701 0.004) 3.778 1.958 ( 1.095 1.968 -2.265) 3.194 2.170 ( 0.467 -3.204 1.153) 3.437 2.636 ( -10.195 20.803 -1.188) 23.197 4.037 ( 14.773 12.446 -0.918) 19.338 4.724 ( -15.732 -4.947 -0.140) 16.492 7.039 ( 3.521 -3.324 -2.365) 5.389 7.274 ( 34.688 13.310 -1.719) 37.194 7.697 ( -1.326 -3.781 -0.437) 4.031 8.423 ( -0.340 -8.065 0.439) 8.084 8.610 ( -8.270 -20.905 -0.754) 22.494 9.094 ( -7.615 17.727 1.794) 19.377 9.605 ( -18.104 8.034 2.683) 19.988 11.702 ( 11.395 -16.383 3.324) 20.231 12.252 ( -2.859 9.675 0.796) 10.120 13.950 ( 4.891 -10.052 -0.382) 11.186 14.601 ( -8.025 11.842 0.810) 14.328 16.087 ( 5.258 4.717 3.294) 7.794 16.242 ( 4.417 -0.353 0.997) 4.542 17.516 ( -3.070 -3.537 -1.252) 4.848 17.744 ( 1.657 -3.892 1.764) 4.583 17.879 ( 9.267 11.815 6.572) 16.391 18.860 ( -14.096 0.321 2.938) 14.403 20.261 ( 6.752 -8.369 6.851) 12.750 20.821 ( -1.395 -0.127 -4.121) 4.353 20.887 ( -2.029 0.954 -7.631) 7.954 21.081 ( -0.441 -0.087 -9.373) 9.384 ======================= Grid point 27 (13/143) ======================= q-point: ( 0.17 0.17 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 10.243 17.741 0.931) 20.507 1.668 ( 3.217 5.573 0.862) 6.492 2.200 ( -0.372 -0.644 -0.203) 0.770 2.663 ( 3.996 6.921 0.601) 8.014 3.010 ( 12.172 21.082 0.188) 24.344 5.111 ( 25.703 44.518 -3.346) 51.514 5.462 ( -5.969 -10.338 -0.311) 11.942 6.933 ( -0.389 -0.673 -1.946) 2.095 7.348 ( 4.661 8.073 0.275) 9.326 8.610 ( 1.078 1.868 2.276) 3.135 9.214 ( -5.552 -9.617 -1.081) 11.157 9.385 ( -9.399 -16.279 -1.412) 18.851 10.967 ( -1.002 -1.736 1.463) 2.481 11.003 ( -4.556 -7.892 3.501) 9.762 12.073 ( 5.944 10.296 -0.273) 11.892 13.943 ( -3.391 -5.873 1.740) 7.001 14.881 ( 2.591 4.488 0.873) 5.255 15.246 ( 10.032 17.375 -3.007) 20.288 16.028 ( 0.806 1.397 8.021) 8.182 16.978 ( 12.156 21.054 0.945) 24.330 17.723 ( -1.636 -2.834 4.348) 5.442 17.902 ( -3.781 -6.549 -1.957) 7.812 19.712 ( -5.047 -8.742 10.265) 14.397 19.939 ( -0.121 -0.209 1.701) 1.719 20.911 ( -0.771 -1.335 -1.992) 2.519 21.050 ( -2.116 -3.666 -9.955) 10.817 21.129 ( -0.903 -1.564 -8.759) 8.943 ======================= Grid point 28 (14/143) ======================= q-point: ( 0.25 0.17 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -1.682 6.520 -0.594) 6.760 1.840 ( 6.749 6.988 -2.318) 9.988 2.171 ( -0.401 -3.719 2.559) 4.532 2.840 ( 1.412 19.516 -1.516) 19.626 3.470 ( 15.430 22.211 0.269) 27.046 5.229 ( -10.320 -8.768 -0.308) 13.545 5.980 ( 32.447 30.405 -3.439) 44.599 6.932 ( 1.773 -2.162 -3.233) 4.274 7.521 ( 5.887 8.077 0.371) 10.001 8.594 ( -2.765 -4.504 2.907) 6.031 8.971 ( -13.860 -17.320 -1.593) 22.240 9.142 ( 0.963 -3.004 -0.602) 3.212 10.578 ( -30.928 8.846 3.324) 32.339 11.156 ( 20.254 -19.394 3.581) 28.270 12.249 ( 3.096 9.751 1.544) 10.347 13.850 ( -0.033 -7.607 0.638) 7.634 14.896 ( -6.557 8.233 0.570) 10.541 15.630 ( 16.279 12.085 -1.978) 20.371 16.094 ( 3.736 3.488 9.656) 10.926 17.413 ( 13.894 20.959 7.289) 26.182 17.665 ( -2.347 -2.877 0.139) 3.715 17.758 ( -3.792 -8.041 -2.340) 9.193 19.464 ( -15.891 -2.938 11.343) 19.744 19.973 ( 7.666 -8.378 4.596) 12.251 20.881 ( -1.349 -1.141 -3.716) 4.115 20.976 ( -2.728 -2.416 -10.862) 11.457 21.104 ( -0.667 -0.796 -13.793) 13.832 ======================= Grid point 29 (15/143) ======================= q-point: ( 0.33 0.17 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.677 4.515 -0.436) 4.836 1.959 ( 1.975 3.509 -3.949) 5.640 2.122 ( 0.118 -4.985 2.073) 5.400 3.049 ( -6.077 28.213 -1.749) 28.913 3.926 ( 14.483 16.833 -0.984) 22.228 4.948 ( -14.370 -4.576 -0.126) 15.081 6.777 ( 33.368 14.495 -3.295) 36.530 6.948 ( 4.608 -3.692 -4.069) 7.171 7.668 ( 2.795 2.196 -0.060) 3.555 8.426 ( -7.832 -9.436 1.392) 12.341 8.541 ( -9.374 -22.542 -0.642) 24.422 9.288 ( 4.561 19.204 1.739) 19.815 10.129 ( -30.891 7.840 3.811) 32.098 11.276 ( 16.919 -20.834 4.050) 27.142 12.364 ( 0.030 7.992 2.977) 8.529 13.792 ( 2.358 -8.175 -0.025) 8.508 14.855 ( -7.834 9.582 0.589) 12.391 15.988 ( 12.884 8.226 0.488) 15.293 16.191 ( 2.686 2.888 8.132) 9.038 17.541 ( -5.031 -5.296 -0.891) 7.359 17.662 ( 1.490 -6.338 3.182) 7.247 17.847 ( 11.321 17.738 7.735) 22.419 19.155 ( -18.043 1.093 7.919) 19.735 20.014 ( 9.024 -12.427 7.106) 16.922 20.847 ( -1.646 -0.261 -6.430) 6.642 20.921 ( -1.675 -0.942 -10.469) 10.644 21.090 ( -0.579 0.084 -16.397) 16.408 ======================= Grid point 30 (16/143) ======================= q-point: ( 0.42 0.17 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -2.356 4.081 -0.065) 4.713 1.992 ( -0.820 1.420 -4.163) 4.475 2.095 ( 2.460 -4.260 1.251) 5.076 3.142 ( -15.988 27.692 -1.794) 32.026 4.185 ( -0.776 1.345 -2.055) 2.576 4.750 ( -4.629 8.018 0.409) 9.268 6.941 ( 3.537 -6.127 -4.194) 8.224 7.342 ( 6.733 -11.662 -3.938) 14.031 7.561 ( 1.603 -2.776 -0.863) 3.320 8.291 ( 4.678 -8.103 0.441) 9.367 8.328 ( 1.870 -3.239 1.346) 3.975 9.546 ( -12.769 22.116 2.603) 25.670 9.784 ( -7.467 12.933 4.070) 15.478 11.318 ( 13.086 -22.665 4.146) 26.497 12.404 ( -3.390 5.871 3.488) 7.624 13.771 ( 4.403 -7.627 -0.209) 8.809 14.833 ( -6.312 10.933 0.639) 12.641 16.174 ( -1.991 3.448 8.042) 8.973 16.208 ( 1.212 -2.100 0.635) 2.506 17.458 ( 1.145 -1.983 -2.327) 3.265 17.643 ( 3.470 -6.011 2.136) 7.262 18.068 ( -3.944 6.830 15.526) 17.415 18.973 ( -6.301 10.913 3.322) 13.032 20.031 ( 8.305 -14.385 7.921) 18.403 20.830 ( -0.542 0.939 -7.548) 7.625 20.902 ( -0.146 0.253 -10.305) 10.309 21.086 ( -0.319 0.553 -17.106) 17.118 ======================= Grid point 41 (17/143) ======================= q-point: ( 0.25 0.25 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 1.308 2.266 -1.112) 2.843 1.960 ( 2.458 4.257 -4.504) 6.667 2.090 ( -2.469 -4.277 2.835) 5.694 3.262 ( 12.403 21.483 -2.226) 24.906 3.886 ( 10.689 18.513 -0.575) 21.385 5.061 ( -4.662 -8.074 0.155) 9.324 6.533 ( 15.096 26.146 -4.127) 30.472 6.887 ( -1.298 -2.249 -4.593) 5.276 7.655 ( 2.373 4.111 -0.038) 4.747 8.457 ( -4.724 -8.183 2.349) 9.736 8.502 ( -13.731 -23.782 -1.172) 27.486 9.342 ( 10.008 17.334 1.768) 20.093 10.726 ( -5.601 -9.701 4.898) 12.226 10.739 ( -4.230 -7.327 3.295) 9.080 12.403 ( 3.427 5.936 3.870) 7.871 13.729 ( -2.716 -4.705 0.168) 5.435 14.985 ( 0.987 1.709 0.361) 2.006 15.899 ( 8.297 14.371 -0.608) 16.605 16.186 ( 2.914 5.047 11.287) 12.703 17.585 ( -2.068 -3.581 6.057) 7.334 17.587 ( -4.741 -8.211 -3.268) 10.029 17.839 ( 11.251 19.488 7.736) 23.795 19.374 ( -3.816 -6.609 13.313) 15.346 19.818 ( -3.729 -6.458 3.393) 8.193 20.862 ( -0.456 -0.790 -6.481) 6.545 20.929 ( -1.284 -2.224 -12.083) 12.353 21.097 ( -0.057 -0.099 -18.712) 18.712 ======================= Grid point 42 (18/143) ======================= q-point: ( 0.33 0.25 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -0.837 4.454 -0.267) 4.540 2.008 ( 0.682 -0.237 -3.797) 3.865 2.020 ( -0.004 -3.566 -0.061) 3.566 3.597 ( -2.848 25.754 -2.406) 26.023 4.136 ( 5.952 2.315 -2.197) 6.753 4.937 ( -6.365 3.597 0.842) 7.360 6.834 ( 1.835 -4.168 -5.145) 6.871 7.033 ( 19.169 9.965 -4.146) 21.999 7.566 ( -8.512 -13.673 -2.018) 16.232 8.205 ( -1.353 -5.558 0.904) 5.791 8.310 ( -3.522 -5.984 1.884) 7.195 9.753 ( 11.812 26.732 3.322) 29.414 10.249 ( -31.508 4.232 4.439) 32.100 10.821 ( 17.312 -25.345 4.267) 30.988 12.481 ( -0.001 4.018 5.214) 6.582 13.666 ( 0.677 -4.468 0.009) 4.519 14.996 ( -2.760 4.702 -0.013) 5.452 16.144 ( 6.519 7.270 2.536) 10.088 16.248 ( -1.043 2.283 9.568) 9.892 17.449 ( -3.102 -3.351 -2.080) 5.018 17.531 ( 1.666 -6.455 2.205) 7.021 18.149 ( 4.610 11.698 18.978) 22.765 19.234 ( -10.711 7.396 6.055) 14.356 19.737 ( 6.641 -15.248 5.415) 17.491 20.851 ( -0.710 0.641 -9.449) 9.497 20.897 ( -0.193 -1.411 -11.720) 11.806 21.097 ( -0.198 0.398 -20.636) 20.641 ======================= Grid point 54 (19/143) ======================= q-point: ( 0.33 0.33 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -2.616 -4.531 0.482) 5.254 1.909 ( 2.616 4.531 0.482) 5.254 2.029 ( -0.000 -0.000 -5.745) 5.745 4.004 ( -7.367 -12.761 -2.686) 14.977 4.004 ( 7.367 12.761 -2.686) 14.977 5.001 ( -0.000 -0.000 1.228) 1.228 6.785 ( -0.000 -0.000 -5.686) 5.686 7.260 ( -7.101 -12.299 -3.443) 14.613 7.260 ( 7.101 12.299 -3.443) 14.613 8.214 ( -1.878 -3.253 1.748) 4.142 8.214 ( 1.878 3.253 1.748) 4.142 10.270 ( 0.000 0.000 7.441) 7.441 10.306 ( -8.946 -15.495 2.702) 18.094 10.306 ( 8.946 15.495 2.702) 18.094 12.521 ( -0.000 -0.000 6.042) 6.042 13.622 ( -0.000 -0.000 0.065) 0.065 15.041 ( -0.000 -0.000 -0.467) 0.467 16.249 ( -1.387 -2.402 6.710) 7.261 16.249 ( 1.387 2.402 6.710) 7.261 17.437 ( -1.210 -2.095 0.109) 2.422 17.437 ( 1.210 2.095 0.109) 2.422 18.268 ( -0.000 -0.000 24.125) 24.125 19.446 ( -6.820 -11.813 4.073) 14.235 19.446 ( 6.820 11.813 4.073) 14.235 20.870 ( -0.624 -1.081 -11.462) 11.530 20.870 ( 0.624 1.081 -11.462) 11.530 21.101 ( -0.000 -0.000 -21.758) 21.758 ======================= Grid point 157 (20/143) ======================= q-point: ( 0.00 0.00 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 0.000 25.673) 25.673 0.537 ( 0.000 0.000 25.673) 25.673 0.961 ( 0.000 0.000 46.473) 46.473 2.503 ( 0.000 0.000 -2.245) 2.245 2.503 ( 0.000 -0.000 -2.245) 2.245 4.707 ( 0.000 0.000 -4.197) 4.197 5.882 ( 0.000 -0.000 0.629) 0.629 7.065 ( 0.000 0.000 -2.370) 2.370 7.065 ( 0.000 -0.000 -2.370) 2.370 8.820 ( 0.000 0.000 3.027) 3.027 9.768 ( 0.000 -0.000 2.385) 2.385 9.768 ( 0.000 0.000 2.385) 2.385 9.847 ( 0.000 0.000 -2.605) 2.605 11.565 ( 0.000 0.000 -0.403) 0.403 11.565 ( 0.000 0.000 -0.403) 0.403 14.362 ( 0.000 -0.000 -0.218) 0.218 14.362 ( 0.000 0.000 -0.218) 0.218 14.479 ( 0.000 -0.000 7.572) 7.572 14.479 ( 0.000 0.000 7.572) 7.572 16.194 ( 0.000 0.000 5.658) 5.658 16.194 ( 0.000 -0.000 5.658) 5.658 18.118 ( 0.000 0.000 0.755) 0.755 19.854 ( 0.000 -0.000 -0.459) 0.459 20.940 ( 0.000 0.000 -1.536) 1.536 21.196 ( 0.000 0.000 -3.269) 3.269 21.196 ( 0.000 0.000 -3.269) 3.269 21.719 ( 0.000 -0.000 1.160) 1.160 ======================= Grid point 158 (21/143) ======================= q-point: ( 0.08 0.00 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 11.464 30.496 11.245) 34.466 0.897 ( 6.211 6.655 31.299) 32.596 1.395 ( 41.286 10.211 17.843) 46.121 2.500 ( 3.815 -5.034 -2.299) 6.722 2.736 ( 16.017 13.712 2.212) 21.200 3.733 ( -40.124 -23.485 31.877) 56.371 5.854 ( -2.535 -1.567 0.807) 3.087 7.061 ( -2.056 0.561 -0.408) 2.170 7.082 ( 0.493 0.987 -1.614) 1.955 8.569 ( -3.040 -3.187 10.252) 11.158 9.738 ( -5.844 -3.696 -4.588) 8.298 9.764 ( -0.835 0.374 1.936) 2.142 10.534 ( 22.989 9.866 -13.271) 28.319 11.501 ( -5.947 -0.657 -0.461) 6.001 11.608 ( 4.606 0.033 -0.133) 4.608 14.306 ( -8.863 12.403 -0.892) 15.270 14.418 ( 4.176 -9.639 2.726) 10.852 14.608 ( 11.914 3.612 2.585) 12.715 15.785 ( 57.840 32.186 -53.490) 85.103 16.175 ( -2.631 2.989 5.232) 6.575 16.359 ( 20.504 11.726 -10.748) 25.950 18.107 ( -0.911 -0.784 0.815) 1.452 19.869 ( 1.177 0.880 -0.279) 1.496 20.894 ( -16.635 -2.552 -0.534) 16.838 20.967 ( -17.724 -6.132 9.058) 20.828 21.214 ( 1.845 -7.079 -0.274) 7.321 21.330 ( -5.920 -8.652 15.853) 19.006 ======================= Grid point 159 (22/143) ======================= q-point: ( 0.17 0.00 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 6.757 9.629 21.902) 24.861 1.284 ( 15.988 19.710 3.734) 25.652 2.004 ( 18.659 4.266 0.644) 19.152 2.547 ( 6.028 -1.116 0.299) 6.138 2.905 ( -11.382 -3.426 24.899) 27.591 3.666 ( 38.085 19.246 -1.770) 42.708 5.756 ( -6.201 -3.860 1.256) 7.412 7.018 ( -1.925 -0.362 2.472) 3.154 7.127 ( 3.376 1.920 -2.151) 4.439 8.558 ( 0.814 0.555 4.752) 4.853 9.544 ( -10.580 -6.734 -3.654) 13.063 9.750 ( -0.942 -0.699 1.317) 1.763 10.732 ( -2.571 -2.839 -3.804) 5.398 11.439 ( 0.427 4.102 0.074) 4.125 11.712 ( 6.936 0.386 0.485) 6.964 14.279 ( -8.551 10.247 -2.314) 13.545 14.412 ( 6.502 -8.521 5.224) 11.924 14.899 ( 15.547 7.442 0.731) 17.252 16.118 ( -3.349 3.761 4.235) 6.580 16.372 ( 14.660 4.974 -2.504) 15.682 17.097 ( 25.173 20.118 -43.521) 54.152 18.067 ( -2.287 -2.207 0.977) 3.324 19.890 ( -1.418 0.091 1.553) 2.105 20.288 ( -27.077 -5.849 10.822) 29.740 20.891 ( -0.432 -3.548 -1.616) 3.923 21.170 ( 3.134 -9.209 -0.390) 9.735 21.282 ( -0.657 -1.476 8.564) 8.715 ======================= Grid point 160 (23/143) ======================= q-point: ( 0.25 0.00 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 8.864 8.872 11.430) 16.969 1.655 ( 10.659 8.809 2.027) 13.976 2.188 ( 4.041 -0.458 -3.616) 5.442 2.580 ( -4.628 -2.247 6.909) 8.614 2.865 ( 11.719 6.890 5.166) 14.542 4.720 ( 51.975 26.919 0.034) 58.532 5.561 ( -10.793 -6.515 1.486) 12.694 7.008 ( 1.432 -0.680 2.725) 3.153 7.240 ( 6.500 4.069 -1.886) 7.897 8.582 ( 0.706 2.087 2.312) 3.193 9.258 ( -13.802 -8.893 -2.687) 16.638 9.710 ( -1.991 -2.918 0.515) 3.570 10.437 ( -21.381 -10.337 -2.342) 23.864 11.606 ( 7.518 11.357 -0.115) 13.621 11.834 ( 7.596 -1.222 1.824) 7.907 14.216 ( -5.613 2.389 -1.048) 6.189 14.455 ( 3.452 -1.897 3.184) 5.064 15.269 ( 18.383 8.691 0.565) 20.342 16.120 ( -1.855 6.741 6.315) 9.421 16.685 ( 15.246 7.456 -5.892) 17.965 17.527 ( 10.542 10.622 -17.284) 22.863 17.983 ( -4.015 -3.849 1.165) 5.682 19.638 ( -21.756 -6.039 0.768) 22.591 20.073 ( -1.506 4.389 -5.261) 7.015 20.854 ( 0.799 -4.519 -1.764) 4.916 21.136 ( 3.000 -8.642 -1.398) 9.255 21.235 ( -1.651 -4.028 10.408) 11.282 ======================= Grid point 161 (24/143) ======================= q-point: ( 0.33 0.00 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 7.079 5.546 5.739) 10.668 1.841 ( 6.091 2.300 2.281) 6.899 2.197 ( -1.581 -0.079 -4.144) 4.436 2.486 ( -2.397 -2.318 3.406) 4.767 3.270 ( 21.745 12.310 0.681) 24.997 5.259 ( -15.012 -9.441 0.620) 17.745 5.860 ( 49.649 26.493 -0.250) 56.275 7.046 ( 3.500 -0.833 2.606) 4.443 7.426 ( 9.368 6.008 -1.663) 11.253 8.633 ( 1.740 4.377 0.979) 4.811 8.916 ( -14.757 -10.373 -1.763) 18.124 9.617 ( -2.461 -8.726 -0.317) 9.072 9.878 ( -31.439 -9.598 -1.741) 32.918 11.841 ( 2.116 17.181 -0.997) 17.340 11.939 ( 9.685 -6.824 3.443) 12.338 14.149 ( -3.092 -0.575 0.068) 3.146 14.470 ( -0.285 -0.451 1.071) 1.196 15.674 ( 18.433 8.996 1.276) 20.551 16.186 ( 0.462 8.246 7.444) 11.119 17.026 ( 14.269 10.333 -14.076) 22.550 17.709 ( 2.352 3.128 0.960) 4.030 17.873 ( -3.420 -2.824 1.395) 4.650 19.213 ( -20.894 -4.529 -8.917) 23.164 20.127 ( 0.602 5.712 -7.903) 9.770 20.832 ( 2.070 -4.837 -0.584) 5.293 21.089 ( -0.408 -6.737 -1.384) 6.890 21.163 ( 1.297 -8.321 10.896) 13.771 ======================= Grid point 162 (25/143) ======================= q-point: ( 0.42 0.00 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 3.446 2.191 3.952) 5.683 1.934 ( 3.945 -0.357 1.309) 4.172 2.159 ( -2.665 0.642 -4.874) 5.592 2.450 ( 0.205 -1.859 2.088) 2.804 3.784 ( 23.122 12.506 0.354) 26.290 4.869 ( -18.389 -11.199 -1.168) 21.562 6.888 ( 41.819 21.920 -1.117) 47.229 7.095 ( 3.217 -1.400 2.768) 4.469 7.648 ( 8.319 5.089 -1.894) 9.935 8.583 ( -12.102 -5.316 -1.493) 13.302 8.729 ( 4.208 1.944 0.437) 4.655 9.186 ( -28.439 -20.408 -2.278) 35.078 9.504 ( -8.970 2.067 0.578) 9.223 11.962 ( -4.185 12.364 3.192) 13.437 12.054 ( 9.247 -4.427 0.106) 10.252 14.104 ( -1.013 -1.420 0.701) 1.880 14.448 ( -1.789 0.450 -0.031) 1.845 16.037 ( 13.417 7.754 3.065) 15.796 16.266 ( -0.133 5.669 6.657) 8.745 17.347 ( 10.093 10.313 -18.768) 23.674 17.664 ( -2.740 -2.747 1.985) 4.358 17.844 ( -2.984 1.771 1.302) 3.706 18.873 ( -13.865 -2.657 -6.671) 15.614 20.189 ( -0.389 6.056 -10.150) 11.826 20.829 ( 2.812 -4.363 1.128) 5.312 20.995 ( -1.885 -6.487 2.287) 7.131 21.129 ( 4.754 -9.880 6.765) 12.883 ======================= Grid point 163 (26/143) ======================= q-point: (-0.50 0.00 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.009 -0.016 3.708) 3.708 1.966 ( 1.289 -2.232 0.765) 2.688 2.137 ( -0.914 1.584 -5.436) 5.735 2.444 ( 0.913 -1.581 1.931) 2.658 4.169 ( 0.693 -1.201 4.136) 4.363 4.532 ( 0.033 -0.057 -5.582) 5.582 7.116 ( 1.529 -2.648 2.856) 4.184 7.577 ( -0.246 0.427 -0.701) 0.857 7.623 ( 1.400 -2.424 -2.711) 3.897 8.549 ( 0.345 -0.598 -4.278) 4.334 8.634 ( 3.044 -5.273 0.668) 6.125 8.795 ( -4.445 7.699 0.418) 8.900 9.428 ( -1.490 2.580 0.505) 3.022 11.984 ( -4.520 7.829 4.719) 10.198 12.115 ( 2.140 -3.706 -0.998) 4.395 14.088 ( 0.637 -1.104 0.910) 1.566 14.433 ( -0.907 1.571 -0.346) 1.847 16.229 ( -2.396 4.151 12.045) 12.964 16.267 ( 0.095 -0.165 -2.276) 2.284 17.473 ( -0.106 0.183 -6.959) 6.962 17.703 ( -0.471 0.816 -6.860) 6.925 17.761 ( -3.809 6.598 -9.621) 12.272 18.735 ( -1.197 2.072 0.768) 2.513 20.218 ( -2.925 5.066 -11.103) 12.550 20.835 ( 2.203 -3.816 2.301) 4.971 20.938 ( 3.022 -5.234 2.528) 6.551 21.122 ( 5.600 -9.699 5.811) 12.618 ======================= Grid point 171 (27/143) ======================= q-point: ( 0.08 0.08 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 6.865 11.890 22.158) 26.067 1.316 ( 10.914 18.903 13.310) 25.565 1.793 ( 14.007 24.262 2.544) 28.130 2.479 ( 2.129 3.687 -3.696) 5.638 2.980 ( -1.204 -2.085 25.499) 25.613 3.457 ( 9.250 16.021 0.328) 18.503 5.790 ( -2.981 -5.164 1.012) 6.048 7.044 ( -1.892 -3.277 2.594) 4.588 7.105 ( 1.707 2.957 -2.257) 4.093 8.555 ( 0.997 1.727 5.642) 5.984 9.604 ( -5.580 -9.665 -4.164) 11.911 9.734 ( -1.956 -3.388 1.527) 4.199 10.765 ( 6.176 10.697 -5.738) 13.619 11.399 ( -4.594 -7.958 1.127) 9.257 11.684 ( 3.970 6.875 -0.744) 7.974 14.262 ( -3.635 -6.296 4.498) 8.549 14.594 ( 6.411 11.104 -3.755) 13.361 14.664 ( 4.349 7.532 3.017) 9.206 16.196 ( 0.052 0.089 9.586) 9.586 16.232 ( 8.514 14.746 -9.165) 19.337 16.966 ( 20.529 35.556 -48.634) 63.647 18.074 ( -1.539 -2.666 0.637) 3.143 19.901 ( 1.244 2.155 0.176) 2.495 20.556 ( -15.198 -26.324 27.054) 40.692 20.881 ( -1.598 -2.767 -4.042) 5.152 21.041 ( -2.854 -4.944 -7.714) 9.596 21.283 ( -0.555 -0.961 7.236) 7.320 ======================= Grid point 172 (28/143) ======================= q-point: ( 0.17 0.08 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 5.604 15.063 13.339) 20.886 1.598 ( 6.813 9.657 5.338) 12.968 2.119 ( 6.647 6.857 -0.934) 9.596 2.641 ( 3.673 11.049 1.178) 11.703 2.806 ( -1.685 -4.165 12.356) 13.147 4.235 ( 38.443 36.850 -2.046) 53.291 5.646 ( -6.854 -7.233 1.340) 10.055 6.980 ( -0.891 -3.230 2.218) 4.018 7.197 ( 4.303 5.407 -1.962) 7.183 8.601 ( 0.891 3.472 3.504) 5.013 9.372 ( -9.961 -10.304 -3.452) 14.742 9.637 ( -1.501 -10.667 0.141) 10.773 10.797 ( -17.337 8.515 -1.937) 19.412 11.347 ( 13.658 -11.777 1.773) 18.122 11.844 ( 3.988 11.252 -0.187) 11.939 14.153 ( -0.312 -9.658 3.197) 10.178 14.655 ( -8.968 18.114 0.137) 20.213 14.998 ( 20.886 4.168 -1.008) 21.321 16.199 ( -0.853 3.625 11.418) 12.009 16.548 ( 12.584 13.774 -6.000) 19.598 17.477 ( 10.811 16.239 -24.942) 31.665 17.999 ( -3.074 -4.751 0.404) 5.673 19.899 ( -9.580 0.881 4.229) 10.509 20.124 ( -7.621 -10.473 7.529) 14.982 20.820 ( -1.869 -3.324 -5.851) 6.984 20.978 ( 2.830 -9.141 -7.403) 12.099 21.240 ( -2.275 -3.322 7.977) 8.935 ======================= Grid point 173 (29/143) ======================= q-point: ( 0.25 0.08 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 2.284 12.498 5.937) 14.024 1.761 ( 6.267 2.455 2.347) 7.128 2.215 ( 0.625 2.044 -1.190) 2.446 2.603 ( -7.204 5.692 3.663) 9.885 3.089 ( 16.494 16.531 1.431) 23.396 5.281 ( 36.778 24.675 -2.658) 44.368 5.431 ( -2.893 -2.266 1.707) 4.051 6.963 ( 2.680 -3.510 0.912) 4.510 7.355 ( 6.807 7.368 -1.487) 10.141 8.650 ( 0.649 3.782 2.820) 4.762 9.077 ( -13.437 -8.190 -2.749) 15.974 9.463 ( -1.768 -19.979 -1.299) 20.099 10.441 ( -30.300 7.843 0.009) 31.299 11.535 ( 19.164 -12.603 2.271) 23.049 12.026 ( 2.057 14.660 0.852) 14.829 14.060 ( 1.242 -10.878 1.624) 11.069 14.666 ( -8.927 14.910 0.460) 17.385 15.414 ( 21.142 7.186 -0.800) 22.344 16.247 ( 0.825 5.798 12.685) 13.972 16.922 ( 13.468 16.561 -10.927) 23.981 17.706 ( 3.663 6.725 -2.744) 8.135 17.884 ( -3.332 -6.074 0.306) 6.935 19.559 ( -22.400 -1.896 -0.887) 22.498 20.111 ( 4.736 -0.980 -3.546) 5.997 20.763 ( -0.134 -4.304 -5.397) 6.904 20.946 ( 4.239 -9.727 -6.864) 12.637 21.140 ( -3.924 -5.938 8.044) 10.740 ======================= Grid point 174 (30/143) ======================= q-point: ( 0.33 0.08 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.839 6.146 3.002) 6.892 1.869 ( 4.198 1.058 0.577) 4.368 2.198 ( -2.161 -1.418 -2.124) 3.345 2.593 ( -6.703 15.126 1.354) 16.600 3.567 ( 19.192 17.568 -0.098) 26.019 5.075 ( -16.697 -8.782 -0.345) 18.869 6.347 ( 45.033 21.881 -2.441) 50.127 6.991 ( 4.779 -4.483 0.208) 6.556 7.559 ( 8.209 6.834 -1.193) 10.748 8.628 ( -5.432 -8.692 0.616) 10.268 8.822 ( -8.852 -0.180 -1.351) 8.956 9.199 ( -4.902 -17.283 -1.218) 18.006 9.999 ( -30.881 10.613 1.249) 32.678 11.701 ( 15.728 -14.560 3.170) 21.666 12.187 ( -0.643 15.127 1.949) 15.265 13.987 ( 2.884 -10.906 0.596) 11.296 14.646 ( -9.122 12.809 0.722) 15.742 15.833 ( 18.773 7.661 0.154) 20.276 16.321 ( 0.455 5.527 12.226) 13.425 17.298 ( 10.699 15.673 -17.010) 25.484 17.685 ( -4.251 -4.839 1.580) 6.632 17.868 ( 2.365 2.757 7.215) 8.078 19.174 ( -21.494 0.505 -5.823) 22.274 20.187 ( 4.445 -0.382 -6.502) 7.885 20.737 ( 2.201 -4.475 -3.283) 5.970 20.927 ( 4.083 -9.007 -7.571) 12.454 21.003 ( -3.617 -7.994 7.670) 11.654 ======================= Grid point 175 (31/143) ======================= q-point: ( 0.42 0.08 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -0.247 3.042 3.049) 4.315 1.923 ( 2.030 -0.680 -1.086) 2.401 2.147 ( -0.776 -2.272 -3.352) 4.123 2.632 ( -9.926 19.923 0.779) 22.272 4.042 ( 16.580 12.365 1.104) 20.713 4.690 ( -17.712 -5.611 -3.070) 18.832 7.016 ( 5.045 -5.826 0.011) 7.707 7.226 ( 35.804 10.912 -2.835) 37.537 7.677 ( -2.269 -3.753 -1.315) 4.578 8.415 ( -1.356 -8.219 -1.407) 8.448 8.571 ( -8.157 -20.197 -2.721) 21.952 9.139 ( -6.401 19.888 2.409) 21.031 9.652 ( -19.247 9.129 1.679) 21.369 11.782 ( 11.471 -15.897 3.984) 20.004 12.285 ( -4.407 12.948 2.538) 13.911 13.947 ( 4.737 -10.292 0.108) 11.331 14.621 ( -8.215 12.610 1.046) 15.086 16.164 ( 11.576 4.922 0.921) 12.612 16.336 ( -3.943 2.126 10.802) 11.694 17.468 ( -0.298 -0.525 -5.228) 5.263 17.664 ( 4.338 1.475 -6.950) 8.324 17.935 ( -2.948 10.538 -1.405) 11.032 18.883 ( -13.026 3.678 -0.517) 13.545 20.242 ( 2.775 -1.482 -8.222) 8.804 20.752 ( 3.803 -3.085 -1.095) 5.018 20.862 ( -1.613 -6.833 -0.239) 7.025 20.928 ( 5.125 -9.914 -1.403) 11.248 ======================= Grid point 184 (32/143) ======================= q-point: ( 0.17 0.17 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 7.174 12.425 5.159) 15.247 1.693 ( 1.372 2.376 1.432) 3.094 2.218 ( 1.399 2.422 1.607) 3.226 2.725 ( 0.716 1.239 4.756) 4.966 3.027 ( 12.868 22.288 1.431) 25.776 5.036 ( 25.037 43.366 -3.635) 50.207 5.474 ( -5.949 -10.304 1.493) 11.992 6.919 ( -1.484 -2.570 0.402) 2.995 7.334 ( 4.832 8.370 -1.634) 9.802 8.668 ( 1.454 2.519 3.324) 4.417 9.171 ( -5.320 -9.215 -2.983) 11.050 9.357 ( -10.003 -17.326 -1.280) 20.047 10.973 ( 0.085 0.147 -0.844) 0.861 11.075 ( -4.162 -7.208 3.269) 8.942 12.081 ( 6.954 12.045 0.924) 13.939 13.989 ( -4.171 -7.224 2.498) 8.708 14.900 ( 2.384 4.130 0.824) 4.839 15.189 ( 10.372 17.965 -2.477) 20.892 16.268 ( 2.243 3.886 15.012) 15.668 16.890 ( 11.593 20.080 -9.981) 25.243 17.710 ( 4.619 8.001 -4.194) 10.146 17.880 ( -4.237 -7.339 -0.176) 8.476 19.845 ( -6.891 -11.935 2.520) 14.010 19.972 ( 0.284 0.491 1.357) 1.471 20.762 ( -1.679 -2.908 -9.030) 9.634 20.834 ( -2.947 -5.105 -10.657) 12.179 21.146 ( -3.569 -6.181 7.061) 10.040 ======================= Grid point 185 (33/143) ======================= q-point: ( 0.25 0.17 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.848 4.349 0.594) 4.470 1.812 ( 5.011 3.719 -0.103) 6.241 2.208 ( -1.767 -2.951 0.567) 3.486 2.839 ( 0.882 17.826 1.319) 17.897 3.485 ( 14.086 22.298 1.139) 26.399 5.236 ( -11.096 -8.283 0.955) 13.879 5.892 ( 33.364 28.031 -4.890) 43.850 6.886 ( 1.429 -4.133 -1.289) 4.559 7.512 ( 6.056 8.249 -1.170) 10.300 8.642 ( -4.118 -5.943 1.511) 7.386 8.931 ( -14.083 -18.564 -2.244) 23.409 9.131 ( 2.734 0.909 -0.313) 2.898 10.633 ( -30.859 10.204 1.803) 32.553 11.222 ( 21.126 -18.856 2.678) 28.443 12.295 ( 3.869 12.323 2.714) 13.198 13.869 ( -0.954 -8.395 1.152) 8.527 14.911 ( -6.581 8.807 0.869) 11.028 15.597 ( 17.866 12.335 -1.284) 21.748 16.353 ( 2.047 5.314 14.990) 16.035 17.284 ( 10.742 18.180 -15.419) 26.146 17.712 ( -5.646 -7.510 -0.032) 9.395 17.841 ( 4.447 4.926 10.449) 12.378 19.549 ( -19.297 -0.012 -3.183) 19.558 20.025 ( 8.255 -7.591 -0.126) 11.215 20.700 ( -2.045 -1.971 -9.542) 9.956 20.781 ( 2.715 -6.855 -10.907) 13.166 21.005 ( -4.723 -7.618 4.407) 9.988 ======================= Grid point 186 (34/143) ======================= q-point: ( 0.33 0.17 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -0.262 3.820 1.221) 4.019 1.889 ( 2.025 0.882 -2.669) 3.465 2.131 ( -1.751 -4.863 -1.263) 5.320 3.034 ( -5.915 27.087 0.317) 27.727 3.919 ( 13.844 16.504 0.284) 21.543 4.941 ( -15.805 -3.893 -0.541) 16.287 6.690 ( 35.393 13.140 -4.914) 38.072 6.882 ( 4.426 -6.267 -2.313) 8.013 7.657 ( 2.349 1.632 -0.856) 2.986 8.425 ( -10.072 -13.060 -1.555) 16.566 8.513 ( -7.840 -18.669 -1.905) 20.338 9.332 ( 5.674 21.103 2.515) 21.997 10.195 ( -31.032 8.843 2.405) 32.357 11.357 ( 17.296 -20.455 3.565) 27.024 12.442 ( -0.177 10.720 4.363) 11.576 13.793 ( 1.847 -8.450 0.183) 8.651 14.879 ( -7.571 10.043 1.669) 12.687 15.992 ( 15.211 8.872 -0.115) 17.610 16.413 ( -1.359 3.842 12.737) 13.373 17.483 ( -2.007 -0.402 -6.410) 6.729 17.600 ( 2.621 -2.280 -5.631) 6.616 18.034 ( 6.124 15.874 8.432) 18.989 19.218 ( -20.464 3.579 -2.282) 20.899 20.083 ( 8.658 -10.384 -1.897) 13.652 20.676 ( 1.463 -1.611 -7.151) 7.475 20.770 ( 3.508 -6.494 -10.891) 13.156 20.852 ( -4.299 -7.160 0.057) 8.352 ======================= Grid point 187 (35/143) ======================= q-point: ( 0.42 0.17 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -1.907 3.302 1.952) 4.284 1.910 ( 0.341 -0.591 -3.614) 3.678 2.086 ( 2.069 -3.583 -2.125) 4.651 3.122 ( -15.512 26.868 -0.066) 31.024 4.175 ( -0.015 0.026 1.095) 1.095 4.730 ( -5.854 10.140 -2.438) 11.959 6.875 ( 4.559 -7.896 -2.227) 9.386 7.240 ( 7.314 -12.667 -5.547) 15.644 7.543 ( 2.530 -4.382 -0.789) 5.121 8.262 ( 4.053 -7.021 -3.150) 8.697 8.337 ( 1.712 -2.966 -0.479) 3.458 9.611 ( -12.932 22.398 3.525) 26.102 9.851 ( -8.141 14.101 2.342) 16.450 11.404 ( 13.023 -22.556 3.913) 26.338 12.494 ( -4.744 8.218 5.017) 10.734 13.767 ( 4.356 -7.544 -0.148) 8.712 14.862 ( -6.406 11.095 2.076) 12.979 16.208 ( 0.250 -0.433 -0.454) 0.675 16.389 ( -2.091 3.622 11.984) 12.693 17.427 ( 1.016 -1.760 -1.054) 2.289 17.627 ( 2.462 -4.265 -4.062) 6.383 18.214 ( -8.070 13.978 -1.303) 16.193 19.024 ( -6.470 11.207 1.678) 13.049 20.107 ( 7.059 -12.227 -2.477) 14.334 20.708 ( 1.394 -2.414 -3.795) 4.709 20.747 ( 2.181 -3.778 -2.155) 4.866 20.770 ( 3.278 -5.678 -12.829) 14.408 ======================= Grid point 194 (36/143) ======================= q-point: (-0.08 0.17 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -13.025 22.560 1.619) 26.100 1.009 ( -5.574 9.654 23.273) 25.805 1.959 ( -12.540 21.720 4.021) 25.400 2.592 ( -2.172 3.762 1.525) 4.604 2.913 ( 2.233 -3.867 25.886) 26.269 3.498 ( -11.569 20.038 1.973) 23.222 5.794 ( 2.824 -4.892 1.234) 5.782 7.016 ( 1.051 -1.821 1.780) 2.754 7.107 ( -1.588 2.750 -2.159) 3.840 8.562 ( -0.197 0.341 5.833) 5.846 9.616 ( 5.242 -9.079 -3.632) 11.095 9.730 ( 1.456 -2.523 1.473) 3.264 10.814 ( -5.721 9.909 -4.556) 12.316 11.341 ( 5.712 -9.893 -1.253) 11.492 11.732 ( -4.603 7.973 1.327) 9.301 14.126 ( 3.124 -5.411 -0.758) 6.294 14.675 ( -3.154 5.463 3.929) 7.432 14.684 ( -7.240 12.540 0.475) 14.488 16.086 ( 2.408 -4.171 3.672) 6.056 16.317 ( -9.077 15.722 -6.664) 19.338 16.860 ( -18.321 31.732 -47.782) 60.214 18.088 ( 0.993 -1.719 1.216) 2.328 19.890 ( -0.796 1.379 -0.283) 1.617 20.346 ( 17.054 -29.539 10.344) 35.643 20.932 ( 0.235 -0.408 0.307) 0.562 21.254 ( -0.060 0.104 1.563) 1.568 21.320 ( 0.094 -0.162 10.831) 10.833 ======================= Grid point 198 (37/143) ======================= q-point: ( 0.25 0.25 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.509 2.614 0.071) 3.019 1.875 ( 1.258 2.178 -3.383) 4.215 2.121 ( -3.070 -5.318 -0.136) 6.142 3.234 ( 11.857 20.537 -0.396) 23.718 3.890 ( 9.959 17.250 1.016) 19.945 5.077 ( -4.417 -7.650 1.369) 8.939 6.416 ( 14.914 25.831 -6.996) 30.637 6.808 ( -2.115 -3.664 -2.962) 5.165 7.645 ( 1.970 3.412 -0.927) 4.048 8.457 ( -13.493 -23.371 -3.127) 27.168 8.482 ( -5.178 -8.969 -0.009) 10.357 9.386 ( 11.185 19.373 2.493) 22.509 10.803 ( -4.760 -8.244 2.332) 9.801 10.814 ( -4.368 -7.566 3.759) 9.511 12.496 ( 4.614 7.991 4.877) 10.437 13.734 ( -3.040 -5.266 0.316) 6.088 15.009 ( 1.169 2.025 1.871) 2.995 15.889 ( 9.454 16.375 -0.321) 18.911 16.445 ( 1.908 3.304 13.247) 13.785 17.517 ( 2.413 4.179 -11.184) 12.181 17.547 ( -4.580 -7.932 -0.629) 9.181 18.057 ( 9.990 17.304 11.551) 23.079 19.503 ( -3.753 -6.501 -2.684) 7.972 19.867 ( -3.659 -6.337 1.183) 7.413 20.680 ( -0.656 -1.137 -12.220) 12.291 20.685 ( -1.258 -2.179 -10.889) 11.175 20.855 ( -4.225 -7.317 -1.102) 8.521 ======================= Grid point 199 (38/143) ======================= q-point: ( 0.33 0.25 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 0.132 4.351 0.520) 4.384 1.901 ( 0.566 0.396 -5.127) 5.173 2.024 ( -0.876 -5.804 -0.818) 5.927 3.560 ( -2.440 24.897 -1.060) 25.039 4.111 ( 5.315 0.966 -0.147) 5.404 4.960 ( -7.210 5.539 1.328) 9.188 6.745 ( 1.725 -5.336 -3.325) 6.520 6.917 ( 20.305 10.024 -6.824) 23.650 7.518 ( -9.279 -16.496 -2.568) 19.100 8.189 ( -0.522 -3.690 -2.376) 4.419 8.323 ( -3.856 -6.224 -0.606) 7.347 9.824 ( 12.047 27.661 3.456) 30.367 10.331 ( -31.663 4.845 3.340) 32.205 10.907 ( 17.594 -25.319 3.733) 31.057 12.603 ( -0.042 5.603 6.274) 8.412 13.664 ( 0.535 -4.551 -0.167) 4.585 15.023 ( -2.610 4.687 2.640) 5.979 16.182 ( 7.338 10.217 1.288) 12.645 16.451 ( -2.702 -0.747 9.474) 9.880 17.426 ( -2.777 -1.950 -0.305) 3.407 17.535 ( 2.083 -4.696 -2.580) 5.748 18.398 ( 4.980 17.614 4.471) 18.843 19.310 ( -14.437 6.206 0.514) 15.722 19.808 ( 8.659 -16.457 0.525) 18.604 20.661 ( 1.053 -0.419 -8.800) 8.872 20.680 ( 1.358 -2.724 -11.164) 11.571 20.736 ( -2.469 -4.301 -8.585) 9.914 ======================= Grid point 205 (39/143) ======================= q-point: (-0.17 0.25 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -6.777 15.117 11.040) 19.908 1.461 ( -16.857 11.616 -0.162) 20.472 2.211 ( -2.343 5.910 -0.907) 6.422 2.668 ( 4.687 3.708 8.211) 10.156 2.770 ( -5.424 1.027 9.345) 10.853 4.317 ( -37.048 40.264 0.931) 54.723 5.655 ( 6.990 -6.867 1.741) 9.952 6.999 ( -0.581 -0.575 3.210) 3.312 7.193 ( -4.114 5.042 -2.116) 6.843 8.571 ( -0.081 0.828 2.255) 2.403 9.393 ( 10.163 -9.082 -2.468) 13.852 9.659 ( 0.656 -8.953 1.116) 9.046 10.783 ( 20.548 5.726 -2.676) 21.498 11.270 ( -14.066 -13.855 -1.518) 19.803 11.899 ( -3.676 10.900 2.354) 11.742 14.056 ( -2.329 -8.831 -0.714) 9.161 14.687 ( 8.279 14.413 2.316) 16.783 15.054 ( -19.047 8.098 1.361) 20.742 16.019 ( -0.459 -4.868 2.629) 5.551 16.604 ( -9.515 13.135 -3.321) 16.555 17.349 ( -13.913 12.684 -26.944) 32.870 18.033 ( 3.045 -2.742 1.835) 4.490 19.779 ( 17.342 -15.162 -1.649) 23.095 19.958 ( -3.625 -7.014 -3.036) 8.459 20.922 ( 1.478 1.443 0.484) 2.122 21.236 ( 1.996 -0.104 3.099) 3.687 21.317 ( 2.133 3.045 10.624) 11.256 ======================= Grid point 211 (40/143) ======================= q-point: ( 0.33 0.33 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -0.000 -0.000 -6.055) 6.055 1.913 ( -2.676 -4.634 -0.159) 5.354 1.913 ( 2.676 4.634 -0.159) 5.354 3.961 ( -7.520 -13.026 -1.321) 15.099 3.961 ( 7.520 13.026 -1.321) 15.099 5.046 ( -0.000 -0.000 3.034) 3.034 6.686 ( -0.000 -0.000 -3.805) 3.805 7.164 ( -8.054 -13.950 -5.617) 17.059 7.164 ( 8.054 13.950 -5.617) 17.059 8.220 ( -2.157 -3.736 -1.150) 4.464 8.220 ( 2.157 3.736 -1.150) 4.464 10.375 ( -8.967 -15.531 3.801) 18.332 10.375 ( 8.967 15.531 3.801) 18.332 10.386 ( -0.000 -0.000 3.585) 3.585 12.658 ( -0.000 -0.000 6.980) 6.980 13.619 ( -0.000 -0.000 -0.277) 0.277 15.068 ( -0.000 -0.000 2.996) 2.996 16.366 ( -3.826 -6.626 4.626) 8.941 16.366 ( 3.826 6.626 4.626) 8.941 17.445 ( -1.801 -3.119 0.079) 3.602 17.445 ( 1.801 3.119 0.079) 3.602 18.596 ( -0.000 -0.000 4.921) 4.921 19.497 ( -6.759 -11.707 0.917) 13.549 19.497 ( 6.759 11.707 0.917) 13.549 20.654 ( -0.212 -0.367 -8.708) 8.719 20.654 ( 0.212 0.367 -8.708) 8.719 20.695 ( -0.000 -0.000 -14.744) 14.744 ======================= Grid point 218 (41/143) ======================= q-point: (-0.25 0.33 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -4.589 14.038 4.677) 15.492 1.763 ( -9.607 5.419 1.212) 11.096 2.213 ( 2.104 -2.136 -1.424) 3.319 2.610 ( 5.346 8.209 5.264) 11.121 3.088 ( -16.679 16.050 1.560) 23.200 5.378 ( -41.141 31.976 1.115) 52.117 5.422 ( 9.939 -5.877 1.482) 11.641 7.025 ( -2.626 0.024 3.874) 4.680 7.344 ( -6.681 6.932 -2.027) 9.839 8.583 ( -0.823 -0.195 -0.215) 0.873 9.110 ( 13.542 -6.422 -1.202) 15.035 9.514 ( 1.179 -18.672 0.835) 18.728 10.366 ( 31.230 4.559 -3.156) 31.718 11.431 ( -18.633 -14.371 -1.851) 23.604 12.058 ( -1.936 11.320 2.355) 11.723 14.016 ( -3.777 -10.226 -0.192) 10.903 14.674 ( 9.307 13.079 1.070) 16.088 15.469 ( -19.056 9.602 1.888) 21.421 16.026 ( -5.674 -4.074 2.140) 7.305 16.901 ( -10.658 12.152 -10.141) 19.081 17.619 ( -8.225 5.088 -5.753) 11.253 17.930 ( 4.984 -4.025 2.391) 6.838 19.334 ( 16.126 -14.220 -13.445) 25.358 19.993 ( -5.338 -4.755 -5.127) 8.797 20.913 ( 1.979 2.695 1.423) 3.634 21.184 ( 3.794 -0.410 4.342) 5.781 21.307 ( 3.597 5.062 10.949) 12.587 ======================= Grid point 219 (42/143) ======================= q-point: (-0.17 0.33 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -9.389 16.263 3.016) 19.019 1.662 ( -4.785 8.288 0.317) 9.575 2.219 ( 2.120 -3.672 1.230) 4.414 2.724 ( -3.572 6.187 6.466) 9.636 3.020 ( -11.487 19.896 1.136) 23.002 5.160 ( -25.629 44.391 1.318) 51.275 5.487 ( 5.948 -10.303 2.080) 12.077 6.996 ( -0.203 0.351 4.026) 4.047 7.324 ( -4.654 8.062 -2.067) 9.535 8.580 ( 0.198 -0.343 -0.599) 0.719 9.213 ( 4.989 -8.641 -1.039) 10.032 9.410 ( 9.323 -16.147 0.884) 18.666 10.916 ( 1.948 -3.374 -3.404) 5.173 10.945 ( 4.715 -8.167 -1.909) 9.621 12.096 ( -5.112 8.855 2.039) 10.426 13.924 ( 2.899 -5.021 -0.069) 5.799 14.874 ( -2.325 4.027 0.263) 4.657 15.302 ( -10.081 17.461 2.311) 20.294 15.952 ( 0.743 -1.288 0.535) 1.580 16.874 ( -8.163 14.139 -8.763) 18.530 17.569 ( -5.421 9.390 -8.442) 13.742 17.953 ( 3.158 -5.470 2.878) 6.941 19.419 ( 10.443 -18.087 -17.937) 27.531 19.908 ( 0.729 -1.263 -1.254) 1.924 20.944 ( -0.465 0.806 2.292) 2.474 21.214 ( 1.062 -1.839 5.705) 6.087 21.365 ( -1.029 1.782 11.514) 11.697 ======================= Grid point 231 (43/143) ======================= q-point: (-0.33 0.42 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -1.226 7.558 3.208) 8.302 1.927 ( -4.316 4.741 1.709) 6.635 2.148 ( 1.439 -3.691 -3.497) 5.284 2.633 ( 7.057 16.764 3.128) 18.455 3.580 ( -19.904 18.405 0.512) 27.114 5.090 ( 17.060 -8.431 0.521) 19.036 6.412 ( -43.050 25.163 0.062) 49.865 7.077 ( -3.279 -0.383 4.246) 5.379 7.546 ( -8.612 6.594 -2.014) 11.032 8.555 ( 1.979 -8.063 -2.144) 8.574 8.858 ( 10.542 -0.434 -0.045) 10.551 9.243 ( 5.987 -22.048 0.358) 22.849 9.889 ( 30.707 8.835 -3.226) 32.116 11.583 ( -16.580 -16.475 -1.339) 23.412 12.181 ( -0.135 9.964 1.563) 10.087 13.983 ( -4.361 -10.522 0.392) 11.396 14.631 ( 9.726 11.800 0.164) 15.292 15.861 ( -16.085 7.762 2.681) 18.060 16.118 ( -8.290 -2.799 1.860) 8.945 17.192 ( -10.961 9.316 -17.804) 22.889 17.711 ( 1.505 -0.860 3.412) 3.827 17.816 ( 1.707 -4.254 1.423) 4.800 18.977 ( 12.719 -7.357 -14.124) 20.381 20.035 ( -6.258 -6.880 -8.199) 12.399 20.909 ( 2.022 3.471 2.836) 4.917 21.106 ( 5.050 0.401 5.267) 7.308 21.297 ( 4.218 6.459 10.660) 13.158 ======================= Grid point 232 (44/143) ======================= q-point: (-0.25 0.42 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 1.464 7.687 1.623) 7.992 1.873 ( -8.306 6.747 -0.087) 10.701 2.135 ( 2.022 -4.481 -0.050) 4.916 2.897 ( -0.973 19.692 3.882) 20.095 3.476 ( -15.959 22.529 0.816) 27.620 5.250 ( 10.806 -9.035 1.679) 14.185 6.020 ( -31.786 30.516 0.328) 44.064 7.012 ( -2.052 -1.233 4.375) 4.987 7.498 ( -5.973 8.315 -1.859) 10.405 8.534 ( 2.774 -5.373 -2.825) 6.675 8.989 ( 14.168 -16.952 0.099) 22.093 9.151 ( -0.515 -4.718 0.229) 4.752 10.508 ( 31.288 8.255 -3.321) 32.529 11.089 ( -20.339 -20.095 -2.657) 28.715 12.241 ( -2.601 7.437 0.829) 7.923 13.845 ( -0.415 -7.252 0.238) 7.268 14.890 ( 6.148 8.252 0.121) 10.292 15.673 ( -15.072 11.581 2.077) 19.120 15.981 ( -4.738 -0.155 -1.448) 4.957 17.142 ( -7.949 11.936 -15.211) 20.905 17.700 ( -2.491 2.582 1.152) 3.768 17.823 ( 4.641 -6.872 3.570) 9.028 19.114 ( 10.053 -7.512 -21.477) 24.875 19.883 ( -2.252 -6.593 -3.687) 7.882 20.957 ( 0.373 1.990 3.939) 4.429 21.168 ( 2.548 -1.145 6.953) 7.494 21.390 ( 0.924 3.331 12.417) 12.889 ======================= Grid point 244 (45/143) ======================= q-point: (-0.42 0.50 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.434 3.254 3.281) 4.641 2.006 ( -0.224 3.521 1.961) 4.036 2.103 ( -0.255 -3.125 -5.177) 6.053 2.675 ( 10.617 21.197 2.503) 23.839 4.075 ( -16.794 14.592 2.405) 22.378 4.698 ( 18.505 -5.976 -2.395) 19.593 7.110 ( -3.039 -1.690 4.483) 5.673 7.288 ( -33.156 14.607 -0.411) 36.233 7.686 ( 0.433 -2.458 -1.647) 2.991 8.401 ( -0.857 -8.722 -1.664) 8.920 8.597 ( 9.085 -22.516 -1.963) 24.359 9.072 ( 9.032 16.645 -0.384) 18.942 9.553 ( 16.010 6.339 -2.184) 17.357 11.663 ( -12.923 -18.290 -0.406) 22.399 12.251 ( 2.239 7.687 0.733) 8.040 13.961 ( -5.276 -10.331 0.670) 11.619 14.591 ( 8.388 12.120 -0.156) 14.740 16.116 ( -7.666 0.269 5.922) 9.691 16.220 ( -5.355 -1.602 -1.053) 5.688 17.430 ( -7.004 4.342 -16.364) 18.322 17.641 ( 0.010 -1.582 -0.564) 1.679 17.737 ( 3.380 -6.575 -6.956) 10.151 18.783 ( 6.461 1.378 -3.858) 7.650 20.066 ( -6.256 -9.007 -10.451) 15.149 20.910 ( 2.083 3.786 4.376) 6.150 21.040 ( 3.888 2.660 5.057) 6.912 21.291 ( 4.298 7.153 10.452) 13.375 ======================= Grid point 245 (46/143) ======================= q-point: (-0.33 0.50 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 1.716 4.204 2.140) 5.020 2.011 ( -3.006 2.278 -1.738) 4.153 2.076 ( 0.819 -2.323 0.218) 2.473 3.099 ( 6.537 28.345 2.903) 29.233 3.955 ( -15.702 18.328 1.719) 24.195 4.949 ( 15.792 -5.225 0.059) 16.634 6.812 ( -33.670 15.430 0.006) 37.038 7.037 ( -3.953 -3.203 4.488) 6.784 7.656 ( -3.512 3.597 -1.243) 5.178 8.380 ( 6.250 -8.853 -2.842) 11.203 8.531 ( 11.310 -25.274 -1.726) 27.743 9.266 ( -3.810 17.319 -0.397) 17.737 10.052 ( 30.742 7.303 -3.497) 31.791 11.210 ( -17.457 -21.449 -2.194) 27.742 12.330 ( -0.347 5.553 -0.260) 5.570 13.794 ( -2.641 -8.354 0.226) 8.764 14.857 ( 8.027 10.517 0.742) 13.251 15.986 ( -10.280 5.220 1.038) 11.576 16.088 ( -7.426 -0.165 -2.576) 7.862 17.366 ( -6.839 7.490 -16.488) 19.357 17.654 ( 4.519 -5.325 3.507) 7.815 17.723 ( 1.283 -3.954 -6.039) 7.331 18.944 ( 8.009 3.742 -11.455) 14.469 19.859 ( -5.279 -10.990 -7.317) 14.219 20.971 ( 0.929 3.022 5.497) 6.341 21.113 ( 2.957 0.182 7.234) 7.817 21.401 ( 2.023 4.215 12.861) 13.684 ======================= Grid point 246 (47/143) ======================= q-point: (-0.25 0.50 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -0.989 1.714 1.751) 2.642 1.982 ( -1.118 1.937 -4.325) 4.869 2.076 ( 0.200 -0.347 3.264) 3.288 3.317 ( -12.266 21.246 2.923) 24.706 3.911 ( -11.586 20.068 1.879) 23.248 5.071 ( 5.133 -8.891 1.133) 10.329 6.572 ( -15.057 26.080 -0.528) 30.119 6.982 ( 0.949 -1.643 4.483) 4.868 7.645 ( -3.152 5.459 -1.046) 6.390 8.395 ( 4.592 -7.953 -3.527) 9.837 8.501 ( 14.851 -25.722 -1.320) 29.731 9.317 ( -8.891 15.399 -0.698) 17.795 10.619 ( 6.179 -10.702 -5.257) 13.429 10.693 ( 3.911 -6.774 -1.062) 7.894 12.354 ( -2.400 4.156 -0.805) 4.866 13.728 ( 2.712 -4.698 0.100) 5.425 14.994 ( -1.643 2.846 1.214) 3.503 15.909 ( -6.669 11.551 0.255) 13.340 16.019 ( -2.091 3.622 -4.672) 6.271 17.345 ( -4.678 8.103 -14.903) 17.597 17.670 ( 4.688 -8.120 4.508) 10.404 17.712 ( 0.548 -0.950 -6.166) 6.262 19.051 ( -0.377 0.653 -16.621) 16.638 19.740 ( 4.358 -7.548 -3.932) 9.562 20.995 ( -1.085 1.878 5.868) 6.256 21.140 ( 0.973 -1.685 8.059) 8.291 21.439 ( -1.045 1.810 13.624) 13.783 ======================= Grid point 256 (48/143) ======================= q-point: (-0.42 0.58 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.953 3.383 2.183) 4.475 2.035 ( -2.067 -3.580 -4.537) 6.138 2.067 ( 1.426 2.470 2.907) 4.073 3.188 ( 16.187 28.036 2.555) 32.474 4.253 ( 0.735 1.273 4.328) 4.571 4.716 ( 5.229 9.057 -2.877) 10.846 7.036 ( -3.035 -5.257 4.877) 7.786 7.383 ( -6.509 -11.275 -0.173) 13.020 7.574 ( -0.883 -1.530 0.375) 1.806 8.243 ( -5.223 -9.046 -4.274) 11.286 8.288 ( -2.568 -4.447 -2.340) 5.643 9.515 ( 12.838 22.235 -0.359) 25.678 9.697 ( 6.440 11.155 -4.094) 13.515 11.253 ( -13.544 -23.459 -1.901) 27.155 12.361 ( 2.179 3.775 -0.689) 4.413 13.775 ( -4.628 -8.016 0.153) 9.257 14.838 ( 6.986 12.100 1.085) 14.015 16.091 ( -0.954 -1.652 0.125) 1.912 16.175 ( -2.036 -3.526 -2.729) 4.901 17.488 ( 0.369 0.639 -5.338) 5.389 17.571 ( -2.849 -4.935 -4.181) 7.068 17.670 ( 0.356 0.616 -16.128) 16.143 18.898 ( 5.403 9.358 -3.688) 11.417 19.850 ( -7.214 -12.495 -9.134) 17.077 20.980 ( 1.870 3.238 6.424) 7.433 21.086 ( 1.035 1.793 6.943) 7.245 21.405 ( 2.544 4.406 12.986) 13.947 ======================= Grid point 258 (49/143) ======================= q-point: (-0.33 0.58 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 1.163 3.285 0.919) 3.604 1.968 ( -0.916 -3.882 -3.317) 5.188 2.101 ( -0.125 2.070 3.263) 3.866 3.649 ( 3.007 25.869 2.430) 26.157 4.193 ( -6.907 2.991 3.131) 8.152 4.929 ( 7.359 3.744 0.067) 8.257 6.940 ( -2.384 -2.998 4.876) 6.200 7.071 ( -18.891 9.278 -0.636) 21.056 7.594 ( 8.007 -12.366 0.625) 14.745 8.152 ( 2.467 -7.311 -4.155) 8.764 8.252 ( 3.078 -6.166 -3.487) 7.724 9.695 ( -11.564 24.803 -2.373) 27.469 10.165 ( 31.083 4.122 -3.492) 31.549 10.751 ( -17.041 -24.972 -2.261) 30.317 12.407 ( -0.131 2.494 -1.801) 3.079 13.664 ( -0.732 -4.702 -0.162) 4.762 15.023 ( 2.925 6.125 2.579) 7.261 16.071 ( -2.168 3.326 -4.330) 5.874 16.101 ( -4.086 0.976 -4.718) 6.317 17.449 ( -3.216 0.973 -4.503) 5.619 17.528 ( 3.056 -6.084 3.197) 7.522 17.700 ( 0.753 1.284 -22.031) 22.082 19.096 ( 3.574 10.923 -7.039) 13.477 19.615 ( -3.028 -13.580 -6.234) 15.246 21.029 ( 0.070 2.789 7.255) 7.773 21.107 ( 1.029 -0.908 8.175) 8.290 21.462 ( 0.525 2.061 14.183) 14.341 ======================= Grid point 271 (50/143) ======================= q-point: (-0.33 -0.33 0.11) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -1.800 -3.118 -1.036) 3.746 1.894 ( 1.800 3.118 -1.036) 3.746 2.122 ( 0.000 0.000 3.124) 3.124 4.059 ( -7.522 -13.029 2.535) 15.256 4.059 ( 7.522 13.029 2.535) 15.256 5.001 ( 0.000 0.000 1.192) 1.192 6.900 ( 0.000 0.000 5.213) 5.213 7.292 ( -7.098 -12.293 -0.448) 14.202 7.292 ( 7.098 12.293 -0.448) 14.202 8.153 ( -1.959 -3.392 -3.970) 5.577 8.153 ( 1.959 3.392 -3.970) 5.577 10.102 ( 0.000 0.000 -8.521) 8.521 10.275 ( -8.841 -15.313 -0.195) 17.683 10.275 ( 8.841 15.313 -0.195) 17.683 12.431 ( 0.000 0.000 -2.412) 2.412 13.617 ( 0.000 0.000 -0.342) 0.342 15.085 ( 0.000 0.000 3.672) 3.672 16.109 ( -0.257 -0.445 -6.504) 6.524 16.109 ( 0.257 0.445 -6.504) 6.524 17.455 ( -0.575 -0.997 1.910) 2.230 17.455 ( 0.575 0.997 1.910) 2.230 17.723 ( 0.000 0.000 -27.716) 27.716 19.343 ( -6.855 -11.873 -5.642) 14.826 19.343 ( 6.855 11.873 -5.642) 14.826 21.077 ( -1.033 -1.788 8.166) 8.423 21.077 ( 1.033 1.788 8.166) 8.423 21.483 ( 0.000 0.000 14.605) 14.605 ======================= Grid point 314 (51/143) ======================= q-point: ( 0.00 0.00 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 0.000 22.454) 22.454 1.028 ( 0.000 -0.000 22.454) 22.454 1.867 ( 0.000 0.000 42.481) 42.481 2.433 ( -0.000 0.000 -4.587) 4.587 2.433 ( 0.000 0.000 -4.587) 4.587 4.573 ( 0.000 -0.000 -9.192) 9.192 5.899 ( 0.000 0.000 0.960) 0.960 7.002 ( 0.000 -0.000 -3.646) 3.646 7.002 ( 0.000 0.000 -3.646) 3.646 8.911 ( 0.000 0.000 5.787) 5.787 9.770 ( 0.000 0.000 -5.007) 5.007 9.829 ( 0.000 -0.000 3.258) 3.258 9.829 ( 0.000 0.000 3.258) 3.258 11.554 ( 0.000 -0.000 -0.670) 0.670 11.554 ( 0.000 0.000 -0.670) 0.670 14.328 ( 0.000 -0.000 -2.396) 2.396 14.328 ( 0.000 0.000 -2.396) 2.396 14.697 ( 0.000 0.000 12.056) 12.056 14.697 ( 0.000 0.000 12.056) 12.056 16.367 ( 0.000 0.000 11.235) 11.235 16.367 ( 0.000 -0.000 11.235) 11.235 18.138 ( 0.000 0.000 1.171) 1.171 19.841 ( 0.000 0.000 -0.717) 0.717 20.900 ( 0.000 0.000 -2.223) 2.223 21.101 ( 0.000 -0.000 -5.904) 5.904 21.101 ( 0.000 -0.000 -5.904) 5.904 21.749 ( 0.000 -0.000 1.638) 1.638 ======================= Grid point 315 (52/143) ======================= q-point: ( 0.08 0.00 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 1.944 22.438 15.836) 27.532 1.405 ( 15.657 3.980 18.577) 24.619 1.926 ( 7.898 1.030 31.596) 32.584 2.435 ( 8.616 -8.270 -3.854) 12.549 2.738 ( 22.804 20.566 -0.767) 30.717 4.071 ( -33.834 -20.166 4.529) 39.648 5.875 ( -2.118 -1.403 1.194) 2.807 7.012 ( 1.317 0.347 -3.430) 3.690 7.046 ( 0.970 3.044 -2.435) 4.018 8.781 ( -5.703 -4.350 10.101) 12.388 9.636 ( -5.798 -4.029 -5.004) 8.653 9.816 ( -1.516 0.236 2.836) 3.224 10.330 ( 26.014 12.158 -6.837) 29.517 11.490 ( -6.281 0.530 -0.563) 6.328 11.602 ( 5.463 -0.678 -0.438) 5.523 14.268 ( -6.389 7.356 -1.936) 9.934 14.439 ( 8.307 -3.230 -1.312) 9.009 14.734 ( 5.778 -0.328 9.044) 10.737 15.200 ( 36.870 23.307 -8.596) 44.457 16.332 ( -3.941 4.759 10.013) 11.766 16.460 ( 8.492 0.530 10.769) 13.725 18.129 ( -0.706 -0.819 1.264) 1.663 19.861 ( 1.505 1.182 -0.482) 1.974 20.797 ( -16.443 -1.416 -5.851) 17.511 20.964 ( -5.726 -2.502 -3.720) 7.272 21.158 ( 3.423 -5.194 -4.951) 7.950 21.600 ( -7.378 -7.492 8.801) 13.712 ======================= Grid point 316 (53/143) ======================= q-point: ( 0.17 0.00 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 8.333 20.527 6.551) 23.102 1.526 ( -0.370 3.105 19.033) 19.288 2.085 ( 7.314 -0.313 8.402) 11.144 2.551 ( 10.466 -1.432 0.205) 10.565 3.339 ( -22.730 -12.214 14.609) 29.652 3.623 ( 44.566 22.412 -1.322) 49.901 5.789 ( -5.588 -3.723 1.801) 6.952 7.059 ( 1.254 1.394 0.516) 1.945 7.072 ( 2.302 1.404 -2.434) 3.632 8.686 ( -2.792 -1.396 7.472) 8.098 9.454 ( -9.528 -6.621 -4.866) 12.581 9.783 ( -1.760 -1.424 1.822) 2.906 10.638 ( 0.372 -1.048 -5.046) 5.167 11.441 ( 0.161 6.269 0.166) 6.273 11.720 ( 8.868 -0.714 0.246) 8.900 14.234 ( -6.561 7.704 -1.860) 10.289 14.518 ( 5.860 -5.857 4.403) 9.382 14.923 ( 13.671 5.351 1.682) 14.777 15.995 ( 24.012 13.958 -17.661) 32.914 16.355 ( -0.158 10.956 8.217) 13.696 16.721 ( 19.055 10.097 1.349) 21.607 18.093 ( -1.838 -2.458 1.504) 3.417 19.902 ( 0.639 1.602 0.143) 1.731 20.286 ( -35.364 -3.782 -6.723) 36.195 20.888 ( -0.326 -4.711 -0.529) 4.752 21.132 ( 4.000 -11.430 -3.563) 12.623 21.480 ( -0.962 -4.207 9.556) 10.486 ======================= Grid point 317 (54/143) ======================= q-point: ( 0.25 0.00 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 1.223 4.176 11.797) 12.574 1.690 ( 7.855 11.025 1.051) 13.578 2.155 ( 2.513 -1.893 1.775) 3.612 2.682 ( -0.472 -2.295 2.992) 3.800 2.994 ( 0.367 -0.112 5.904) 5.916 4.730 ( 52.191 25.812 1.091) 58.235 5.600 ( -10.841 -6.753 2.101) 12.944 7.070 ( 2.200 -1.647 2.936) 4.022 7.191 ( 6.724 4.611 -2.704) 8.590 8.648 ( -1.902 1.720 3.968) 4.724 9.189 ( -12.481 -8.948 -3.912) 15.848 9.723 ( -2.271 -4.298 0.740) 4.917 10.375 ( -21.509 -8.897 -3.607) 23.554 11.610 ( 5.689 13.112 0.611) 14.306 11.873 ( 10.288 -2.155 1.698) 10.647 14.194 ( -4.847 3.993 -0.903) 6.344 14.530 ( 1.509 -4.044 3.807) 5.755 15.274 ( 19.286 7.514 -0.171) 20.699 16.246 ( 0.781 11.126 1.756) 11.290 16.539 ( 8.099 5.656 -3.288) 10.411 17.273 ( 24.023 18.001 -6.463) 30.707 18.014 ( -3.456 -4.430 1.757) 5.887 19.560 ( -35.659 -5.585 -7.639) 36.893 19.986 ( -0.950 3.525 -2.428) 4.384 20.849 ( 1.872 -5.870 0.001) 6.161 21.085 ( 4.139 -12.162 -3.424) 13.295 21.430 ( -0.342 -5.238 8.105) 9.657 ======================= Grid point 318 (55/143) ======================= q-point: ( 0.33 0.00 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 3.910 3.175 5.830) 7.704 1.864 ( 4.082 4.433 -1.104) 6.127 2.134 ( -2.589 -1.983 -0.490) 3.298 2.555 ( -3.569 -4.553 2.961) 6.499 3.283 ( 19.602 10.654 0.363) 22.313 5.276 ( -15.812 -10.759 1.034) 19.153 5.854 ( 48.659 25.193 -0.378) 54.795 7.110 ( 4.800 -2.648 3.435) 6.469 7.381 ( 8.887 6.621 -2.628) 11.390 8.659 ( -1.153 5.588 1.469) 5.892 8.871 ( -12.650 -11.133 -2.579) 17.047 9.611 ( -1.551 -13.982 -0.230) 14.069 9.829 ( -32.784 -3.779 -2.993) 33.136 11.831 ( 2.846 15.626 -0.080) 15.883 12.012 ( 9.191 -3.726 3.494) 10.515 14.153 ( -2.489 0.559 0.359) 2.576 14.496 ( -1.825 -1.835 1.328) 2.909 15.688 ( 19.518 7.768 -0.095) 21.008 16.380 ( 0.012 15.169 8.884) 17.579 16.712 ( 7.530 4.101 -13.489) 15.983 17.741 ( 10.334 9.383 2.290) 14.145 17.902 ( -3.309 -3.244 1.278) 4.807 18.963 ( -26.867 -2.118 -13.594) 30.185 20.005 ( -1.594 3.610 -3.950) 5.583 20.838 ( 3.649 -6.136 0.092) 7.140 21.032 ( 3.034 -11.322 -3.541) 12.244 21.362 ( 0.427 -8.357 7.707) 11.376 ======================= Grid point 319 (56/143) ======================= q-point: ( 0.42 0.00 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 3.268 1.515 4.213) 5.543 1.937 ( 1.938 1.356 -3.192) 3.972 2.053 ( -3.746 -2.146 -3.043) 5.282 2.501 ( 0.433 -2.626 2.720) 3.806 3.777 ( 24.107 12.577 -1.337) 27.224 4.844 ( -20.696 -13.267 -1.094) 24.607 6.858 ( 41.437 20.775 -1.707) 46.385 7.166 ( 4.866 -3.440 3.942) 7.145 7.595 ( 7.242 5.755 -3.295) 9.819 8.544 ( -12.054 -5.239 -2.219) 13.329 8.736 ( 3.010 1.077 0.178) 3.202 9.133 ( -27.296 -19.018 -2.735) 33.381 9.513 ( -9.731 3.349 0.246) 10.294 11.994 ( -1.975 15.390 -0.583) 15.527 12.104 ( 6.718 -5.178 4.870) 9.781 14.124 ( -0.347 -1.483 1.229) 1.957 14.447 ( -2.853 0.586 -0.156) 2.917 16.046 ( 13.331 6.028 -1.657) 14.724 16.510 ( -0.625 10.014 15.385) 18.368 16.909 ( 7.684 10.736 -23.200) 26.694 17.701 ( -6.460 -6.759 -0.044) 9.350 17.847 ( -10.804 2.069 1.881) 11.160 18.727 ( -3.165 4.920 -6.481) 8.731 20.002 ( -2.896 4.006 -7.889) 9.310 20.852 ( 4.869 -5.739 0.223) 7.529 20.965 ( 1.735 -10.223 -3.001) 10.794 21.296 ( 3.229 -10.627 7.235) 13.255 ======================= Grid point 320 (57/143) ======================= q-point: (-0.50 0.00 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.129 -0.224 4.636) 4.643 1.978 ( -1.522 2.636 -10.032) 10.484 1.987 ( 1.921 -3.327 1.185) 4.021 2.494 ( 1.221 -2.115 2.808) 3.721 4.272 ( 1.124 -1.947 5.453) 5.899 4.376 ( 0.148 -0.256 -9.300) 9.304 7.190 ( 2.987 -5.174 4.074) 7.232 7.555 ( 1.835 -3.177 -3.670) 5.189 7.557 ( -0.921 1.595 -1.344) 2.280 8.433 ( 0.244 -0.423 -6.724) 6.742 8.653 ( 5.844 -10.122 1.187) 11.748 8.799 ( -7.794 13.500 -0.169) 15.590 9.439 ( -2.039 3.531 0.540) 4.113 12.054 ( -7.533 13.047 -0.651) 15.080 12.136 ( 3.905 -6.764 5.357) 9.471 14.114 ( 1.074 -1.860 1.524) 2.633 14.423 ( -1.474 2.553 -0.599) 3.009 16.202 ( -0.209 0.363 -3.940) 3.962 16.547 ( -2.143 3.712 16.859) 17.395 17.094 ( -5.960 10.323 -24.759) 27.479 17.539 ( 0.019 -0.033 -8.392) 8.392 17.738 ( -1.510 2.616 5.315) 6.114 18.759 ( -1.817 3.147 1.599) 3.970 19.995 ( -2.722 4.714 -10.459) 11.791 20.881 ( 3.018 -5.228 1.809) 6.302 20.911 ( 5.241 -9.078 -3.915) 11.189 21.271 ( 6.106 -10.576 6.836) 13.995 ======================= Grid point 328 (58/143) ======================= q-point: ( 0.08 0.08 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 5.884 10.191 12.931) 17.484 1.578 ( 6.249 10.823 11.566) 17.028 2.013 ( 4.885 8.461 18.957) 21.326 2.405 ( 3.835 6.642 -3.283) 8.342 3.308 ( 21.394 37.055 5.019) 43.081 3.525 ( -16.263 -28.168 6.999) 33.270 5.817 ( -2.716 -4.705 1.575) 5.656 7.045 ( 1.844 3.194 -3.412) 5.024 7.077 ( -0.473 -0.819 0.392) 1.023 8.704 ( -1.268 -2.196 8.537) 8.906 9.505 ( -5.239 -9.075 -5.158) 11.679 9.771 ( -2.674 -4.631 1.957) 5.694 10.646 ( 8.718 15.100 -5.534) 18.293 11.412 ( -4.072 -7.053 0.079) 8.144 11.676 ( 4.370 7.570 -0.019) 8.741 14.315 ( -2.914 -5.047 0.359) 5.838 14.518 ( 6.882 11.920 -3.147) 14.119 14.759 ( 2.290 3.967 5.969) 7.524 15.839 ( 18.994 32.898 -19.356) 42.634 16.451 ( 1.580 2.737 14.754) 15.089 16.580 ( 10.532 18.242 0.028) 21.064 18.095 ( -1.570 -2.720 1.349) 3.418 19.902 ( 1.587 2.749 -0.087) 3.175 20.677 ( -9.751 -16.889 -6.765) 20.642 20.884 ( -3.551 -6.151 -7.138) 10.069 20.928 ( -6.137 -10.629 3.298) 12.709 21.468 ( -2.211 -3.829 9.837) 10.785 ======================= Grid point 329 (59/143) ======================= q-point: ( 0.17 0.08 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 1.393 6.041 11.058) 12.677 1.702 ( 2.925 5.639 4.517) 7.795 2.156 ( 1.245 7.663 5.488) 9.507 2.659 ( 9.096 13.678 1.106) 16.463 3.035 ( -10.984 -14.812 7.872) 20.050 4.222 ( 39.120 35.839 1.101) 53.067 5.683 ( -6.607 -6.929 2.123) 9.807 7.031 ( -1.074 -3.814 2.411) 4.638 7.144 ( 4.751 5.687 -3.014) 8.001 8.692 ( -0.619 2.010 5.236) 5.642 9.287 ( -9.237 -9.877 -4.576) 14.277 9.646 ( -2.442 -12.224 0.638) 12.482 10.742 ( -15.588 10.457 -3.301) 19.059 11.372 ( 13.585 -11.382 0.573) 17.732 11.853 ( 4.597 12.090 1.017) 12.974 14.201 ( -2.206 -8.184 1.254) 8.568 14.665 ( -6.704 16.711 0.984) 18.032 14.983 ( 20.135 2.194 -0.401) 20.258 16.297 ( 8.476 15.958 -12.034) 21.709 16.512 ( 2.310 4.947 13.110) 14.202 17.108 ( 20.566 26.553 -9.261) 34.839 18.019 ( -2.908 -5.065 1.516) 6.034 19.938 ( -4.622 1.546 0.404) 4.891 20.140 ( -24.823 -12.161 -6.347) 28.361 20.779 ( -0.884 -5.992 -1.212) 6.177 20.847 ( 5.784 -14.125 -2.841) 15.525 21.405 ( -1.871 -4.179 7.689) 8.949 ======================= Grid point 330 (60/143) ======================= q-point: ( 0.25 0.08 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.153 4.901 4.628) 6.742 1.820 ( 5.462 1.806 2.942) 6.462 2.200 ( -3.116 3.741 0.472) 4.891 2.677 ( -9.436 4.001 3.203) 10.738 3.122 ( 14.272 14.217 1.605) 20.208 5.241 ( 37.011 21.890 -1.099) 43.014 5.473 ( -3.754 -2.743 2.230) 5.157 6.997 ( 2.700 -5.382 2.181) 6.404 7.313 ( 7.297 7.636 -2.411) 10.833 8.710 ( -0.764 3.079 2.888) 4.290 9.012 ( -12.546 -7.129 -3.371) 14.818 9.441 ( -2.485 -21.279 -0.740) 21.436 10.420 ( -29.951 9.826 -1.985) 31.584 11.566 ( 19.563 -12.281 0.689) 23.109 12.055 ( 2.979 15.446 1.973) 15.854 14.090 ( -0.120 -10.265 1.170) 10.332 14.680 ( -8.517 13.868 0.840) 16.296 15.397 ( 22.253 6.438 -0.838) 23.181 16.514 ( 0.860 12.978 7.641) 15.085 16.650 ( 7.255 7.999 -9.124) 14.137 17.659 ( 14.947 19.250 -1.594) 24.424 17.903 ( -3.067 -6.486 1.504) 7.331 19.444 ( -31.601 -6.092 -10.030) 33.709 20.032 ( 1.013 0.600 -3.068) 3.286 20.725 ( 1.737 -6.458 -0.953) 6.755 20.817 ( 6.494 -13.514 -3.493) 15.395 21.307 ( -2.851 -7.495 7.356) 10.881 ======================= Grid point 331 (61/143) ======================= q-point: ( 0.33 0.08 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 1.920 3.186 2.593) 4.535 1.897 ( 2.936 -0.817 1.704) 3.492 2.129 ( -5.440 -1.083 -4.078) 6.885 2.637 ( -7.256 14.712 2.819) 16.644 3.560 ( 18.193 17.580 -0.676) 25.308 5.069 ( -18.580 -9.747 -0.162) 20.982 6.301 ( 45.353 19.281 -1.925) 49.319 7.013 ( 5.845 -6.832 1.842) 9.178 7.525 ( 8.086 7.419 -2.041) 11.162 8.619 ( -8.394 -11.163 -1.506) 14.048 8.800 ( -8.088 -1.893 -0.850) 8.350 9.181 ( -4.049 -12.638 -0.470) 13.279 10.001 ( -30.320 11.735 -1.003) 32.527 11.746 ( 16.273 -13.856 1.059) 21.399 12.239 ( -0.204 16.321 2.906) 16.579 14.002 ( 2.358 -11.160 0.860) 11.439 14.660 ( -9.172 13.368 0.615) 16.224 15.826 ( 19.331 7.034 -0.870) 20.590 16.598 ( -1.088 5.355 13.142) 14.233 16.907 ( 8.442 15.950 -19.834) 26.815 17.719 ( -4.808 -7.330 1.910) 8.972 17.998 ( 0.657 8.452 5.675) 10.202 18.965 ( -19.433 2.831 -13.207) 23.666 20.044 ( 0.152 -0.319 -6.306) 6.316 20.710 ( 4.015 -6.696 -2.045) 8.071 20.798 ( 5.529 -11.249 -2.574) 12.796 21.174 ( -1.724 -10.664 7.920) 13.395 ======================= Grid point 332 (62/143) ======================= q-point: ( 0.42 0.08 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 1.219 1.920 3.314) 4.019 1.919 ( 2.147 -2.687 0.683) 3.506 2.037 ( -3.259 -0.802 -7.219) 7.961 2.666 ( -9.811 19.069 2.461) 21.586 4.061 ( 20.420 15.209 0.132) 25.462 4.617 ( -22.792 -8.460 -3.443) 24.554 7.034 ( 7.204 -7.701 1.697) 10.681 7.170 ( 35.546 8.128 -2.462) 36.547 7.649 ( -2.248 -1.832 -1.403) 3.221 8.364 ( -3.564 -10.534 -3.492) 11.656 8.514 ( -7.250 -19.182 -2.662) 20.679 9.182 ( -6.166 21.636 1.620) 22.556 9.668 ( -19.151 9.470 -0.121) 21.365 11.840 ( 11.863 -15.699 1.467) 19.731 12.351 ( -4.969 14.683 3.604) 15.915 13.955 ( 4.848 -10.910 0.597) 11.953 14.640 ( -8.815 14.003 0.757) 16.564 16.142 ( 9.547 3.799 -2.216) 10.512 16.593 ( -2.249 0.877 10.440) 10.716 17.214 ( 7.176 15.468 -16.782) 23.925 17.570 ( -4.499 -5.944 -4.016) 8.467 17.898 ( -13.222 4.849 1.111) 14.127 18.860 ( -4.092 8.179 -1.357) 9.246 20.038 ( 0.170 -0.955 -10.478) 10.523 20.722 ( 5.519 -8.051 -5.034) 10.982 20.783 ( 3.186 -6.882 0.401) 7.594 21.068 ( 3.357 -12.228 8.666) 15.359 ======================= Grid point 341 (63/143) ======================= q-point: ( 0.17 0.17 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.270 0.468 1.397) 1.498 1.732 ( 3.473 6.016 5.879) 9.100 2.251 ( 0.227 0.393 1.810) 1.866 2.825 ( -1.882 -3.260 4.368) 5.767 3.063 ( 13.210 22.880 1.956) 26.492 4.979 ( 23.425 40.573 -1.732) 46.882 5.516 ( -5.881 -10.186 2.475) 12.019 6.944 ( -2.483 -4.300 1.944) 5.333 7.288 ( 5.105 8.842 -2.734) 10.570 8.736 ( 0.517 0.895 3.082) 3.251 9.103 ( -4.172 -7.225 -3.305) 8.974 9.336 ( -10.795 -18.697 -0.663) 21.599 10.935 ( 0.781 1.352 -2.828) 3.231 11.125 ( -3.736 -6.472 1.495) 7.621 12.108 ( 7.611 13.182 1.739) 15.320 14.034 ( -4.735 -8.201 1.780) 9.635 14.913 ( 2.124 3.679 0.490) 4.277 15.149 ( 10.877 18.840 -1.368) 21.797 16.592 ( 2.235 3.872 15.377) 16.014 16.610 ( 9.069 15.707 -15.379) 23.779 17.625 ( 14.049 24.334 -3.466) 28.311 17.895 ( -4.341 -7.519 1.621) 8.833 19.762 ( -12.639 -21.891 -11.014) 27.573 19.988 ( 0.249 0.431 0.147) 0.519 20.653 ( -2.922 -5.061 -6.292) 8.587 20.681 ( -2.611 -4.522 1.470) 5.425 21.297 ( -4.046 -7.009 6.886) 10.626 ======================= Grid point 342 (64/143) ======================= q-point: ( 0.25 0.17 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -0.153 2.765 1.386) 3.097 1.835 ( 3.432 0.449 2.044) 4.020 2.185 ( -4.128 -4.387 -2.669) 6.589 2.887 ( 0.185 16.095 3.125) 16.397 3.512 ( 12.243 23.072 1.376) 26.155 5.262 ( -13.007 -7.284 1.469) 14.980 5.798 ( 34.296 23.620 -3.981) 41.832 6.881 ( 1.144 -5.957 0.826) 6.122 7.478 ( 6.561 8.748 -2.096) 11.134 8.648 ( -6.209 -8.783 -0.946) 10.798 8.888 ( -14.655 -20.618 -1.770) 25.357 9.134 ( 4.808 5.640 0.657) 7.440 10.644 ( -30.674 11.571 -0.768) 32.793 11.257 ( 21.898 -18.579 0.737) 28.727 12.350 ( 4.743 13.928 2.447) 14.915 13.892 ( -1.773 -9.205 1.064) 9.435 14.929 ( -6.195 9.932 0.853) 11.736 15.577 ( 18.679 12.658 -0.818) 22.579 16.650 ( 0.193 3.288 12.623) 13.046 16.921 ( 8.814 16.245 -18.372) 26.060 17.729 ( -5.344 -8.526 1.802) 10.223 18.020 ( 8.504 14.416 6.576) 17.983 19.329 ( -19.737 -5.328 -17.561) 26.951 19.990 ( 2.151 -5.032 -2.490) 6.012 20.598 ( 1.975 -6.225 -5.724) 8.684 20.623 ( 1.918 -5.433 1.647) 5.992 21.135 ( -4.930 -9.999 6.895) 13.109 ======================= Grid point 343 (65/143) ======================= q-point: ( 0.33 0.17 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 1.279 2.933 1.426) 3.503 1.863 ( 1.536 -2.192 0.328) 2.697 2.070 ( -3.627 -4.139 -4.628) 7.191 3.061 ( -5.961 25.540 2.142) 26.314 3.933 ( 13.551 18.111 0.905) 22.638 4.926 ( -19.435 -3.584 -0.886) 19.783 6.592 ( 37.966 10.851 -4.420) 39.733 6.860 ( 4.430 -8.337 0.272) 9.445 7.637 ( 2.791 2.209 -1.098) 3.725 8.371 ( -12.083 -18.098 -3.373) 22.021 8.469 ( -7.314 -15.297 -2.477) 17.136 9.381 ( 6.180 22.127 2.012) 23.062 10.219 ( -31.068 9.947 -0.135) 32.622 11.409 ( 17.956 -20.268 1.365) 27.112 12.525 ( 0.219 12.454 3.424) 12.918 13.799 ( 1.424 -9.010 0.368) 9.129 14.917 ( -7.472 11.689 1.893) 14.002 15.984 ( 15.194 9.398 -0.787) 17.883 16.646 ( -2.854 0.255 8.411) 8.886 17.216 ( 8.056 13.141 -16.457) 22.548 17.567 ( -3.604 -7.439 0.526) 8.282 18.149 ( -6.109 7.633 2.815) 10.173 19.072 ( -10.931 7.612 -10.847) 17.178 19.965 ( 2.892 -8.026 -7.579) 11.412 20.580 ( 2.723 -5.650 -5.360) 8.250 20.640 ( 5.600 -4.933 1.922) 7.706 20.952 ( -3.307 -11.658 7.554) 14.279 ======================= Grid point 344 (66/143) ======================= q-point: ( 0.42 0.17 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -0.916 1.587 1.732) 2.521 1.862 ( 1.492 -2.584 -0.392) 3.009 2.010 ( 0.936 -1.622 -5.241) 5.566 3.140 ( -14.952 25.897 1.718) 29.953 4.225 ( 0.976 -1.691 3.530) 4.034 4.654 ( -8.468 14.667 -4.861) 17.620 6.855 ( 5.438 -9.419 0.348) 10.882 7.137 ( 8.089 -14.010 -4.291) 16.737 7.531 ( 3.538 -6.128 -0.360) 7.085 8.173 ( 3.440 -5.958 -5.332) 8.704 8.312 ( 2.018 -3.495 -1.860) 4.444 9.675 ( -13.264 22.974 2.507) 26.646 9.872 ( -8.385 14.523 -0.298) 16.773 11.463 ( 13.104 -22.697 1.662) 26.261 12.589 ( -5.475 9.483 3.936) 11.636 13.767 ( 4.494 -7.783 0.091) 8.988 14.910 ( -7.224 12.513 2.391) 14.645 16.192 ( -0.680 1.178 -1.269) 1.860 16.597 ( -0.012 0.021 6.626) 6.626 17.376 ( -0.868 1.503 -5.312) 5.588 17.493 ( 1.180 -2.044 -8.172) 8.506 18.089 ( -7.702 13.340 -7.454) 17.112 19.040 ( -5.915 10.246 -0.165) 11.832 19.947 ( 4.804 -8.321 -10.806) 14.460 20.577 ( 3.220 -5.578 -5.549) 8.502 20.683 ( 2.597 -4.498 1.147) 5.319 20.844 ( 5.518 -9.557 9.138) 14.328 ======================= Grid point 351 (67/143) ======================= q-point: (-0.08 0.17 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -8.324 14.418 9.673) 19.255 1.500 ( -0.523 0.906 21.168) 21.194 2.095 ( -4.955 8.582 10.789) 14.649 2.606 ( -3.198 5.540 -0.266) 6.402 3.290 ( -20.731 35.907 9.502) 42.537 3.558 ( 11.592 -20.078 4.015) 23.529 5.825 ( 2.437 -4.222 1.681) 5.157 7.045 ( -0.479 0.830 0.642) 1.154 7.048 ( -1.658 2.872 -3.355) 4.718 8.711 ( 2.157 -3.736 8.296) 9.351 9.526 ( 4.667 -8.083 -4.891) 10.537 9.770 ( 1.905 -3.300 2.189) 4.394 10.695 ( -8.344 14.452 -6.349) 17.855 11.323 ( 5.753 -9.964 -0.481) 11.516 11.752 ( -5.548 9.609 0.486) 11.106 14.125 ( 2.926 -5.067 0.421) 5.866 14.676 ( -7.883 13.654 -1.242) 15.815 14.790 ( -1.565 2.711 6.782) 7.470 15.838 ( -21.028 36.422 -21.989) 47.458 16.223 ( 2.844 -4.926 9.795) 11.327 16.644 ( -7.401 12.820 6.516) 16.174 18.117 ( 0.715 -1.238 1.513) 2.082 19.885 ( -0.899 1.556 -0.182) 1.806 20.319 ( 18.225 -31.567 -7.076) 37.130 20.939 ( 0.158 -0.273 -0.705) 0.772 21.235 ( -1.205 2.087 -3.473) 4.227 21.542 ( 1.324 -2.292 9.376) 9.742 ======================= Grid point 355 (68/143) ======================= q-point: ( 0.25 0.25 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 1.483 2.568 1.212) 3.204 1.834 ( -0.326 -0.565 -0.517) 0.832 2.081 ( -3.192 -5.529 -3.711) 7.384 3.246 ( 10.996 19.046 1.422) 22.038 3.924 ( 9.778 16.936 2.245) 19.685 5.111 ( -4.495 -7.786 1.859) 9.181 6.268 ( 14.430 24.994 -7.128) 29.728 6.775 ( -2.689 -4.658 -0.124) 5.380 7.622 ( 2.236 3.872 -1.238) 4.639 8.386 ( -14.290 -24.750 -3.602) 28.805 8.459 ( -5.600 -9.699 -2.073) 11.390 9.435 ( 11.765 20.378 2.092) 23.624 10.814 ( -4.068 -7.047 -1.225) 8.229 10.879 ( -4.267 -7.391 2.400) 8.865 12.584 ( 5.583 9.669 3.443) 11.684 13.741 ( -3.470 -6.010 0.363) 6.950 15.055 ( 2.049 3.550 2.500) 4.801 15.882 ( 10.019 17.354 -0.568) 20.046 16.675 ( -0.658 -1.140 8.241) 8.346 17.211 ( 7.284 12.616 -17.039) 22.417 17.560 ( -4.555 -7.889 1.675) 9.262 18.235 ( 4.093 7.090 4.795) 9.488 19.252 ( -1.176 -2.038 -19.651) 19.791 19.862 ( -4.043 -7.002 -1.533) 8.229 20.531 ( -0.610 -1.056 -3.383) 3.596 20.556 ( -0.883 -1.529 0.708) 1.902 20.927 ( -6.196 -10.731 6.506) 13.996 ======================= Grid point 356 (69/143) ======================= q-point: ( 0.33 0.25 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 0.170 -0.554 -2.410) 2.478 1.835 ( 1.217 2.191 0.812) 2.634 1.985 ( -1.669 -4.403 -2.989) 5.577 3.557 ( -1.991 23.841 0.724) 23.935 4.132 ( 5.243 -0.299 2.070) 5.645 4.985 ( -9.864 9.008 0.930) 13.390 6.708 ( 1.613 -6.184 -0.233) 6.395 6.777 ( 22.704 9.699 -6.443) 25.516 7.470 ( -10.205 -20.058 -1.926) 22.587 8.118 ( -0.089 -2.033 -4.335) 4.789 8.290 ( -3.967 -6.702 -2.455) 8.166 9.881 ( 12.158 27.735 1.890) 30.342 10.375 ( -31.827 5.616 0.755) 32.328 10.961 ( 17.899 -25.179 1.477) 30.928 12.716 ( 0.111 6.796 4.403) 8.098 13.661 ( 0.402 -4.868 -0.110) 4.886 15.093 ( -2.605 6.021 3.889) 7.627 16.195 ( 7.249 11.924 -0.177) 13.956 16.598 ( -3.270 -5.626 4.230) 7.762 17.383 ( 1.896 4.249 -7.137) 8.520 17.455 ( -0.009 -3.591 -2.003) 4.112 18.305 ( -3.149 7.468 -13.318) 15.591 19.250 ( -4.925 10.520 -5.295) 12.766 19.749 ( 3.365 -13.120 -5.008) 14.441 20.520 ( -0.121 -0.436 -2.703) 2.741 20.579 ( 4.976 -1.671 1.027) 5.349 20.736 ( -3.465 -9.754 6.302) 12.119 ======================= Grid point 362 (70/143) ======================= q-point: (-0.17 0.25 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -11.313 9.543 5.457) 15.774 1.542 ( -4.833 3.845 11.289) 12.868 2.218 ( -0.452 5.687 3.006) 6.449 2.741 ( -2.926 10.994 1.750) 11.511 3.036 ( 10.211 -13.757 10.971) 20.344 4.331 ( -37.968 41.228 0.736) 56.052 5.698 ( 6.848 -6.280 2.325) 9.578 7.068 ( -1.381 0.687 3.045) 3.413 7.138 ( -4.272 5.134 -3.129) 7.376 8.644 ( 2.075 -2.464 4.700) 5.698 9.326 ( 9.430 -7.636 -3.866) 12.735 9.682 ( 1.234 -9.647 1.014) 9.778 10.715 ( 20.008 6.610 -3.817) 21.415 11.249 ( -14.382 -14.733 -0.359) 20.592 11.946 ( -4.059 12.110 2.038) 12.934 14.057 ( -1.722 -7.569 0.721) 7.796 14.747 ( 8.608 12.192 3.165) 15.257 15.072 ( -19.075 8.115 0.304) 20.732 16.129 ( 0.470 -3.510 7.082) 7.918 16.413 ( -13.928 12.798 -12.665) 22.764 17.027 ( -18.692 19.830 -4.231) 27.578 18.072 ( 2.849 -1.948 1.887) 3.934 19.649 ( 21.553 -31.490 -9.218) 39.257 19.920 ( -2.001 -1.418 -0.570) 2.518 20.937 ( 1.492 2.489 0.116) 2.904 21.245 ( 2.722 2.907 -2.355) 4.627 21.515 ( 2.150 2.020 8.132) 8.651 ======================= Grid point 368 (71/143) ======================= q-point: ( 0.33 0.33 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -0.000 -0.000 -3.482) 3.482 1.902 ( -1.963 -3.401 -0.861) 4.020 1.902 ( 1.963 3.401 -0.861) 4.020 3.955 ( -7.918 -13.714 0.746) 15.853 3.955 ( 7.918 13.714 0.746) 15.853 5.114 ( -0.000 -0.000 3.383) 3.383 6.641 ( -0.000 -0.000 -0.423) 0.423 7.049 ( -9.433 -16.339 -5.359) 19.613 7.049 ( 9.433 16.339 -5.359) 19.613 8.174 ( -2.583 -4.474 -3.098) 6.024 8.174 ( 2.583 4.474 -3.098) 6.024 10.407 ( 0.000 0.000 -1.561) 1.561 10.447 ( -8.904 -15.422 2.954) 18.051 10.447 ( 8.904 15.422 2.954) 18.051 12.783 ( -0.000 -0.000 4.898) 4.898 13.613 ( -0.000 -0.000 -0.285) 0.285 15.151 ( -0.000 -0.000 4.847) 4.847 16.428 ( -5.528 -9.576 1.244) 11.127 16.428 ( 5.528 9.576 1.244) 11.127 17.420 ( -0.342 -0.592 -2.539) 2.629 17.420 ( 0.342 0.592 -2.539) 2.629 18.388 ( -0.000 -0.000 -23.900) 23.900 19.484 ( -6.592 -11.417 -2.054) 13.343 19.484 ( 6.592 11.417 -2.054) 13.343 20.553 ( -1.164 -2.016 -0.858) 2.480 20.553 ( 1.164 2.016 -0.858) 2.480 20.613 ( -0.000 -0.000 6.261) 6.261 ======================= Grid point 375 (72/143) ======================= q-point: (-0.25 0.33 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -3.291 6.564 6.568) 9.852 1.762 ( -8.769 4.592 -1.583) 10.024 2.210 ( 4.477 0.512 1.938) 4.905 2.725 ( 8.886 6.616 4.929) 12.125 3.129 ( -14.489 13.569 2.050) 19.956 5.384 ( -41.504 31.639 -0.438) 52.190 5.462 ( 12.064 -6.531 2.290) 13.908 7.109 ( -2.796 0.611 3.926) 4.858 7.292 ( -6.735 6.955 -2.954) 10.123 8.594 ( 0.622 -3.502 1.288) 3.783 9.074 ( 12.689 -4.246 -2.183) 13.557 9.521 ( 1.552 -19.559 -0.184) 19.622 10.302 ( 31.486 5.080 -2.904) 32.025 11.412 ( -19.477 -15.128 0.044) 24.662 12.112 ( -1.913 10.975 2.709) 11.465 14.022 ( -3.604 -9.226 0.758) 9.934 14.702 ( 9.824 11.034 1.531) 14.853 15.496 ( -19.379 10.355 0.518) 21.978 16.130 ( -6.619 -6.093 7.271) 11.567 16.668 ( -6.306 8.425 -10.917) 15.163 17.537 ( -17.995 13.650 -2.123) 22.686 17.978 ( 5.313 -3.101 2.131) 6.510 19.020 ( 17.756 -24.906 -15.059) 34.093 19.929 ( -1.803 -3.736 -1.506) 4.413 20.939 ( 2.036 4.282 0.577) 4.776 21.207 ( 5.122 3.402 -1.754) 6.394 21.497 ( 3.637 4.113 6.974) 8.876 ======================= Grid point 376 (73/143) ======================= q-point: (-0.17 0.33 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -4.421 7.657 3.802) 9.624 1.681 ( -5.212 9.027 1.462) 10.525 2.254 ( 1.404 -2.432 2.818) 3.979 2.877 ( -0.205 0.355 6.979) 6.991 3.052 ( -11.192 19.386 1.879) 22.463 5.163 ( -24.751 42.871 -0.897) 49.511 5.538 ( 5.884 -10.192 2.770) 12.090 7.079 ( -0.319 0.552 3.659) 3.714 7.272 ( -4.807 8.326 -2.853) 10.028 8.587 ( 2.079 -3.601 1.320) 4.362 9.180 ( 3.825 -6.626 -2.035) 7.917 9.417 ( 9.837 -17.039 -0.191) 19.676 10.839 ( 2.207 -3.823 -3.860) 5.864 10.932 ( 4.499 -7.792 0.607) 9.018 12.150 ( -4.873 8.441 2.955) 10.185 13.938 ( 2.784 -4.822 1.330) 5.725 14.892 ( -1.510 2.616 1.359) 3.313 15.330 ( -10.343 17.914 0.235) 20.687 16.046 ( 1.767 -3.061 8.589) 9.288 16.656 ( -6.354 11.006 -11.677) 17.259 17.446 ( -11.894 20.600 -3.402) 24.029 18.009 ( 2.683 -4.646 2.369) 5.865 19.052 ( 15.746 -27.272 -16.224) 35.425 19.892 ( 1.228 -2.127 -0.216) 2.465 20.979 ( -1.078 1.867 0.657) 2.254 21.267 ( 0.151 -0.261 -0.697) 0.759 21.551 ( -0.885 1.533 6.478) 6.716 ======================= Grid point 388 (74/143) ======================= q-point: (-0.33 0.42 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -2.160 5.146 3.784) 6.743 1.894 ( -3.905 1.463 -5.142) 6.621 2.119 ( 4.722 -0.921 1.098) 4.934 2.702 ( 8.311 16.619 3.305) 18.873 3.584 ( -18.990 18.771 -0.280) 26.703 5.102 ( 19.301 -8.844 0.568) 21.238 6.394 ( -42.496 24.185 -1.749) 48.927 7.168 ( -3.519 -0.124 4.309) 5.565 7.491 ( -8.148 6.729 -3.259) 11.059 8.517 ( 2.352 -9.831 -1.503) 10.220 8.847 ( 10.716 -1.718 -0.951) 10.894 9.239 ( 6.544 -20.957 -0.747) 21.968 9.835 ( 29.501 8.971 -1.902) 30.894 11.578 ( -18.106 -16.972 0.834) 24.831 12.224 ( 0.092 8.808 2.537) 9.167 13.995 ( -4.580 -10.468 0.770) 11.452 14.640 ( 10.254 11.667 0.642) 15.546 15.896 ( -15.714 8.090 0.135) 17.675 16.231 ( -12.465 -7.295 8.367) 16.691 16.832 ( -4.235 7.612 -16.397) 18.567 17.779 ( -2.180 -2.206 3.615) 4.763 17.826 ( 8.229 -6.286 -0.063) 10.355 18.676 ( 2.308 -5.115 -13.653) 14.762 19.907 ( -1.856 -6.890 -4.507) 8.440 20.953 ( 1.938 5.298 0.963) 5.723 21.143 ( 6.369 3.771 -1.229) 7.503 21.474 ( 4.859 6.147 6.007) 9.873 ======================= Grid point 389 (75/143) ======================= q-point: (-0.25 0.42 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -0.333 6.925 0.704) 6.968 1.832 ( -5.595 2.426 -2.607) 6.632 2.171 ( 3.381 -3.014 2.714) 5.280 2.982 ( 0.343 18.164 3.925) 18.586 3.500 ( -15.294 23.081 1.436) 27.725 5.291 ( 12.162 -9.145 2.179) 15.372 5.992 ( -31.434 28.346 -3.027) 42.435 7.094 ( -2.217 -1.753 3.265) 4.319 7.452 ( -6.023 8.904 -2.478) 11.032 8.488 ( 3.682 -7.362 -1.569) 8.380 8.976 ( 15.066 -18.269 -1.356) 23.719 9.153 ( -1.241 -3.590 0.068) 3.799 10.452 ( 31.537 8.421 -2.043) 32.706 11.059 ( -21.284 -20.345 -0.206) 29.444 12.280 ( -2.120 6.404 2.771) 7.292 13.858 ( -0.216 -7.423 0.953) 7.487 14.901 ( 5.849 8.600 0.885) 10.438 15.702 ( -15.173 10.844 0.451) 18.655 16.033 ( -4.037 -3.371 6.420) 8.299 16.848 ( -4.608 9.425 -13.501) 17.098 17.716 ( -3.412 1.748 1.278) 4.041 17.889 ( 5.416 -5.907 2.631) 8.435 18.683 ( 4.549 -6.688 -19.036) 20.684 19.829 ( 1.138 -6.623 -1.568) 6.901 21.013 ( -0.005 3.281 1.080) 3.454 21.243 ( 2.690 0.574 0.251) 2.762 21.573 ( 1.112 3.350 5.365) 6.422 ======================= Grid point 401 (76/143) ======================= q-point: (-0.42 0.50 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -0.379 2.292 4.148) 4.754 1.939 ( -1.316 -0.652 -8.674) 8.798 2.057 ( 2.886 1.838 0.957) 3.553 2.730 ( 10.956 21.044 2.690) 23.877 4.107 ( -20.305 18.069 -0.041) 27.181 4.645 ( 23.854 -8.266 -2.297) 25.350 7.204 ( -7.020 -0.452 3.906) 8.046 7.262 ( -28.974 13.202 -1.658) 31.883 7.632 ( 0.044 -0.616 -3.468) 3.523 8.355 ( 0.904 -10.291 -2.981) 10.752 8.540 ( 8.163 -23.958 -3.170) 25.509 9.078 ( 9.911 17.395 0.972) 20.044 9.524 ( 13.891 4.761 -0.611) 14.697 11.678 ( -14.404 -19.536 1.614) 24.325 12.281 ( 2.251 6.816 2.164) 7.497 13.976 ( -5.702 -11.013 0.688) 12.420 14.595 ( 9.109 13.270 0.550) 16.105 16.141 ( -6.930 1.043 -3.311) 7.750 16.368 ( -11.025 -9.076 14.525) 20.369 16.966 ( -3.708 4.521 -25.055) 25.728 17.582 ( 7.799 -7.546 -6.355) 12.576 17.719 ( 1.709 -3.198 5.010) 6.185 18.726 ( -2.526 3.774 -1.481) 4.777 19.871 ( -3.489 -8.622 -8.428) 12.552 20.974 ( 1.929 5.371 1.543) 5.912 21.079 ( 5.692 5.276 -0.996) 7.825 21.457 ( 4.956 7.679 5.318) 10.574 ======================= Grid point 402 (77/143) ======================= q-point: (-0.33 0.50 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.405 3.124 2.260) 3.877 1.906 ( -2.090 -0.371 -6.325) 6.671 2.112 ( 2.046 0.610 1.403) 2.555 3.157 ( 7.011 27.365 2.569) 28.365 3.986 ( -16.049 20.552 1.073) 26.098 4.950 ( 18.904 -5.835 0.004) 19.784 6.773 ( -35.102 14.542 -3.742) 38.178 7.117 ( -3.889 -4.381 2.910) 6.541 7.621 ( -3.676 5.488 -2.028) 6.910 8.323 ( 5.626 -9.512 -2.468) 11.323 8.475 ( 13.356 -27.484 -3.573) 30.765 9.272 ( -3.861 16.122 0.987) 16.607 9.999 ( 30.358 7.449 -1.544) 31.297 11.194 ( -18.527 -21.895 0.675) 28.690 12.352 ( -0.126 4.560 2.285) 5.102 13.801 ( -2.558 -8.848 0.387) 9.218 14.882 ( 8.097 12.234 1.641) 14.762 16.004 ( -10.767 2.974 -1.068) 11.221 16.106 ( -8.788 -5.318 5.432) 11.620 16.996 ( -2.301 8.627 -18.198) 20.270 17.614 ( 5.775 -9.761 -3.927) 12.002 17.734 ( 4.803 -5.302 3.782) 8.092 18.739 ( -3.914 9.279 -7.956) 12.834 19.735 ( -0.628 -10.562 -4.726) 11.588 21.045 ( 0.607 4.251 1.432) 4.526 21.196 ( 3.791 1.683 0.699) 4.207 21.581 ( 2.397 4.566 4.645) 6.940 ======================= Grid point 403 (78/143) ======================= q-point: (-0.25 0.50 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -0.674 1.168 1.558) 2.061 1.872 ( -1.026 1.778 -5.579) 5.944 2.133 ( 0.350 -0.606 1.652) 1.794 3.370 ( -11.471 19.868 2.038) 23.031 3.956 ( -12.258 21.231 2.408) 24.634 5.102 ( 5.679 -9.836 1.813) 11.502 6.509 ( -14.533 25.173 -5.521) 29.586 7.055 ( 1.150 -1.992 2.326) 3.271 7.617 ( -3.957 6.853 -1.586) 8.071 8.328 ( 4.817 -8.344 -2.741) 10.017 8.454 ( 16.317 -28.263 -3.109) 32.783 9.315 ( -8.246 14.282 0.630) 16.504 10.531 ( 6.109 -10.582 -3.092) 12.604 10.699 ( 3.598 -6.232 1.637) 7.380 12.373 ( -1.882 3.259 2.547) 4.544 13.733 ( 2.999 -5.194 0.375) 6.009 15.031 ( -2.714 4.701 2.218) 5.863 15.905 ( -5.175 8.963 -0.778) 10.379 16.004 ( -0.150 0.260 3.156) 3.170 17.022 ( -4.650 8.054 -16.091) 18.586 17.610 ( 5.079 -8.796 -2.993) 10.589 17.753 ( 4.511 -7.813 3.263) 9.594 18.756 ( -6.143 10.640 -11.706) 16.970 19.673 ( 5.240 -9.077 -2.412) 10.755 21.072 ( -1.633 2.829 1.400) 3.554 21.237 ( 0.628 -1.087 1.239) 1.764 21.624 ( -1.105 1.914 4.477) 4.993 ======================= Grid point 413 (79/143) ======================= q-point: (-0.42 0.58 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.972 1.684 2.917) 3.506 1.917 ( -0.811 -1.405 -6.825) 7.015 2.101 ( 1.311 2.271 0.370) 2.648 3.237 ( 15.939 27.607 2.081) 31.946 4.345 ( 0.008 0.015 4.331) 4.331 4.638 ( 7.425 12.861 -4.594) 15.545 7.122 ( -3.433 -5.946 3.129) 7.545 7.336 ( -6.723 -11.644 -4.141) 14.069 7.575 ( -0.381 -0.660 -0.255) 0.804 8.128 ( -5.387 -9.331 -6.547) 12.608 8.242 ( -3.471 -6.012 -1.978) 7.218 9.530 ( 13.125 22.733 1.769) 26.309 9.632 ( 5.296 9.172 -2.039) 10.786 11.246 ( -14.086 -24.398 1.077) 28.193 12.375 ( 1.815 3.144 2.053) 4.171 13.778 ( -4.884 -8.460 0.134) 9.770 14.872 ( 8.023 13.896 2.116) 16.185 16.104 ( -2.304 -3.990 -3.787) 5.964 16.173 ( -5.669 -9.819 7.088) 13.372 17.069 ( 3.043 5.270 -23.051) 23.840 17.492 ( -1.064 -1.843 -3.596) 4.178 17.659 ( -1.726 -2.989 4.280) 5.498 18.839 ( 4.068 7.045 -1.778) 8.327 19.679 ( -5.996 -10.385 -7.302) 14.040 21.065 ( 2.251 3.899 1.679) 4.805 21.166 ( 1.933 3.348 0.743) 3.937 21.583 ( 2.871 4.972 4.377) 7.220 ======================= Grid point 415 (80/143) ======================= q-point: (-0.33 0.58 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.709 1.367 0.993) 1.833 1.889 ( -0.858 -1.062 -4.173) 4.391 2.134 ( 0.390 1.177 -0.132) 1.247 3.687 ( 2.803 25.121 1.160) 25.303 4.254 ( -7.549 2.709 2.660) 8.450 4.938 ( 9.724 5.897 0.742) 11.397 6.992 ( -18.121 7.951 -3.474) 20.091 7.030 ( -4.673 -2.204 0.220) 5.171 7.591 ( 8.243 -13.346 -0.930) 15.714 8.050 ( 3.459 -7.765 -5.459) 10.103 8.183 ( 2.647 -6.682 -3.021) 7.796 9.660 ( -10.531 21.498 -0.905) 23.956 10.122 ( 29.193 5.343 -0.552) 29.683 10.738 ( -16.560 -24.140 0.883) 29.288 12.414 ( -0.057 1.922 2.389) 3.067 13.662 ( -0.678 -5.073 -0.083) 5.119 15.090 ( 3.061 8.266 3.717) 9.566 16.022 ( -3.357 -0.611 -3.121) 4.625 16.028 ( -3.214 -2.505 0.635) 4.124 17.146 ( -1.027 6.017 -20.213) 21.115 17.483 ( 1.946 -2.923 -1.790) 3.941 17.612 ( 2.152 -6.619 3.311) 7.707 18.969 ( -1.972 13.219 -4.951) 14.253 19.502 ( 0.310 -12.972 -4.504) 13.735 21.121 ( -0.182 3.517 1.612) 3.873 21.208 ( 1.405 -0.458 1.523) 2.122 21.649 ( 0.633 2.311 4.077) 4.729 ======================= Grid point 428 (81/143) ======================= q-point: (-0.33 -0.33 0.22) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -0.491 -0.850 -1.307) 1.635 1.869 ( 0.491 0.850 -1.307) 1.635 2.147 ( 0.000 0.000 -0.774) 0.774 4.098 ( -7.977 -13.817 1.169) 15.998 4.098 ( 7.977 13.817 1.169) 15.998 5.045 ( 0.000 0.000 3.028) 3.028 6.979 ( 0.000 0.000 2.123) 2.123 7.241 ( -8.151 -14.118 -4.464) 16.902 7.241 ( 8.151 14.118 -4.464) 16.902 8.070 ( -2.448 -4.239 -3.820) 6.209 8.070 ( 2.448 4.239 -3.820) 6.209 9.953 ( 0.000 0.000 -5.496) 5.496 10.298 ( -8.742 -15.141 2.245) 17.627 10.298 ( 8.742 15.141 2.245) 17.627 12.432 ( 0.000 0.000 2.502) 2.502 13.611 ( 0.000 0.000 -0.257) 0.257 15.176 ( 0.000 0.000 4.947) 4.947 16.007 ( -0.122 -0.211 -3.083) 3.093 16.007 ( 0.122 0.211 -3.083) 3.093 17.208 ( 0.000 0.000 -21.691) 21.691 17.500 ( -2.049 -3.549 1.934) 4.532 17.500 ( 2.049 3.549 1.934) 4.532 19.237 ( -6.894 -11.941 -4.274) 14.436 19.237 ( 6.894 11.941 -4.274) 14.436 21.180 ( -1.161 -2.010 1.690) 2.871 21.180 ( 1.161 2.010 1.690) 2.871 21.671 ( 0.000 0.000 3.927) 3.927 ======================= Grid point 471 (82/143) ======================= q-point: ( 0.00 0.00 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 0.000 0.000 17.813) 17.813 1.438 ( 0.000 -0.000 17.813) 17.813 2.317 ( 0.000 -0.000 -6.741) 6.741 2.317 ( -0.000 0.000 -6.741) 6.741 2.670 ( 0.000 0.000 36.260) 36.260 4.328 ( -0.000 -0.000 -14.998) 14.998 5.918 ( 0.000 0.000 0.840) 0.840 6.929 ( 0.000 0.000 -3.228) 3.228 6.929 ( 0.000 0.000 -3.228) 3.228 9.048 ( 0.000 -0.000 7.538) 7.538 9.649 ( 0.000 0.000 -6.717) 6.717 9.890 ( 0.000 -0.000 2.541) 2.541 9.890 ( 0.000 0.000 2.541) 2.541 11.540 ( 0.000 0.000 -0.643) 0.643 11.540 ( 0.000 -0.000 -0.643) 0.643 14.280 ( 0.000 0.000 -2.138) 2.138 14.280 ( 0.000 -0.000 -2.138) 2.138 14.915 ( 0.000 -0.000 8.657) 8.657 14.915 ( 0.000 0.000 8.657) 8.657 16.625 ( -0.000 0.000 13.066) 13.066 16.625 ( -0.000 -0.000 13.066) 13.066 18.162 ( 0.000 0.000 1.045) 1.045 19.827 ( 0.000 0.000 -0.646) 0.646 20.857 ( 0.000 -0.000 -1.855) 1.855 20.971 ( 0.000 -0.000 -6.390) 6.390 20.971 ( 0.000 -0.000 -6.390) 6.390 21.780 ( 0.000 -0.000 1.332) 1.332 ======================= Grid point 472 (83/143) ======================= q-point: ( 0.08 0.00 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -2.781 13.161 14.824) 20.017 1.693 ( 9.543 1.877 9.903) 13.880 2.330 ( 11.127 -7.943 -2.787) 13.953 2.517 ( 0.435 3.260 15.396) 15.743 2.780 ( 22.024 16.066 11.580) 29.619 4.019 ( -23.157 -13.868 -8.270) 28.231 5.899 ( -1.746 -1.183 1.015) 2.341 6.943 ( 1.653 0.448 -3.093) 3.536 6.990 ( 3.417 3.667 -2.717) 5.701 8.974 ( -5.214 -3.442 8.874) 10.853 9.536 ( -6.283 -4.281 -5.012) 9.106 9.870 ( -1.986 -0.435 2.235) 3.021 10.232 ( 21.817 10.960 -3.267) 24.632 11.480 ( -5.811 0.438 -0.391) 5.840 11.591 ( 5.618 -0.237 -0.603) 5.656 14.240 ( -4.597 4.729 -0.846) 6.649 14.393 ( 10.656 -0.977 -2.568) 11.005 14.910 ( 1.074 -1.851 7.283) 7.591 15.172 ( 20.210 13.912 2.276) 24.640 16.567 ( -3.484 1.944 12.493) 13.115 16.701 ( 4.500 1.025 11.334) 12.237 18.154 ( -0.564 -0.699 1.131) 1.444 19.851 ( 1.882 1.350 -0.469) 2.363 20.688 ( -21.586 -2.065 -4.277) 22.102 20.886 ( -0.465 -2.768 -3.496) 4.483 21.026 ( 4.216 -5.098 -7.474) 9.981 21.725 ( -3.381 -3.257 4.143) 6.262 ======================= Grid point 473 (84/143) ======================= q-point: ( 0.17 0.00 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 2.093 14.398 6.888) 16.098 1.755 ( -0.441 -0.843 4.408) 4.510 2.366 ( -2.474 -3.408 16.190) 16.729 2.570 ( 10.056 0.420 3.160) 10.550 3.386 ( -13.159 -10.163 -7.190) 18.114 3.710 ( 36.727 20.703 7.394) 42.803 5.823 ( -5.056 -3.413 1.478) 6.277 7.003 ( 4.070 2.265 -2.891) 5.482 7.073 ( 2.681 2.070 -0.141) 3.390 8.843 ( -5.888 -2.936 7.558) 10.021 9.356 ( -8.904 -6.482 -4.668) 11.962 9.818 ( -2.642 -2.079 1.452) 3.662 10.541 ( 1.722 0.463 -4.127) 4.496 11.445 ( 1.211 6.529 0.196) 6.643 11.721 ( 9.473 -0.004 -0.167) 9.475 14.209 ( -4.588 4.974 -0.641) 6.797 14.572 ( 8.898 -2.292 1.032) 9.246 14.966 ( 8.132 2.256 2.293) 8.745 15.742 ( 24.692 14.839 -6.747) 29.588 16.569 ( -2.286 9.654 11.291) 15.030 16.826 ( 9.787 3.526 5.809) 11.915 18.123 ( -1.672 -2.218 1.330) 3.079 19.902 ( 1.126 1.734 -0.075) 2.069 20.147 ( -35.238 -4.976 -5.417) 35.998 20.854 ( 1.147 -5.227 -2.477) 5.897 21.031 ( 4.078 -7.983 -5.776) 10.664 21.637 ( -2.381 -4.169 5.741) 7.484 ======================= Grid point 474 (85/143) ======================= q-point: ( 0.25 0.00 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.549 2.928 -1.366) 3.277 1.757 ( 1.172 5.714 5.320) 7.895 2.291 ( -2.510 -3.002 10.882) 11.564 2.713 ( 0.689 -2.408 0.257) 2.518 3.053 ( -2.086 -2.230 -0.431) 3.084 4.763 ( 49.982 25.438 1.956) 56.117 5.640 ( -11.088 -6.889 1.710) 13.165 7.106 ( 4.705 -0.017 -0.217) 4.710 7.150 ( 5.518 3.743 -0.405) 6.680 8.735 ( -4.834 0.293 4.409) 6.549 9.109 ( -11.248 -8.790 -3.815) 14.776 9.737 ( -3.005 -4.724 0.647) 5.636 10.302 ( -21.125 -8.618 -3.293) 23.052 11.629 ( 6.163 12.362 1.041) 13.852 11.898 ( 11.446 -0.969 0.736) 11.510 14.183 ( -3.265 3.260 -0.224) 4.620 14.596 ( -0.489 -4.436 2.504) 5.117 15.264 ( 19.192 7.271 -0.634) 20.533 16.136 ( 9.612 6.520 -7.369) 13.755 16.649 ( -1.711 10.022 8.822) 13.461 17.213 ( 24.348 16.223 -0.987) 29.274 18.048 ( -3.556 -4.223 1.430) 5.703 19.416 ( -38.978 -6.887 -4.815) 39.874 19.959 ( -0.143 2.176 -0.783) 2.317 20.824 ( 2.482 -6.927 -2.606) 7.806 21.010 ( 3.182 -8.744 -3.414) 9.912 21.557 ( -1.753 -5.354 4.498) 7.209 ======================= Grid point 475 (86/143) ======================= q-point: ( 0.33 0.00 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 1.170 0.869 -3.700) 3.977 1.845 ( 0.823 5.121 1.566) 5.418 2.188 ( -5.271 -5.088 4.529) 8.613 2.595 ( -2.907 -4.580 0.986) 5.514 3.281 ( 17.262 9.156 -0.521) 19.547 5.298 ( -17.165 -11.765 1.079) 20.838 5.846 ( 46.797 24.885 -0.392) 53.003 7.176 ( 6.145 -3.136 2.886) 7.478 7.325 ( 7.654 7.226 -2.707) 10.868 8.690 ( -4.468 5.479 1.608) 7.250 8.818 ( -10.036 -11.663 -2.492) 15.587 9.612 ( -1.407 -17.106 0.388) 17.168 9.763 ( -32.933 -0.785 -3.319) 33.109 11.835 ( 3.680 11.660 0.398) 12.233 12.073 ( 9.464 -0.123 2.388) 9.762 14.163 ( -1.535 0.966 0.536) 1.891 14.520 ( -3.420 -2.926 0.907) 4.592 15.677 ( 19.208 7.124 -0.656) 20.497 16.311 ( 4.611 8.763 -11.305) 15.029 16.696 ( -1.298 6.306 6.818) 9.378 17.801 ( 18.976 14.625 3.382) 24.196 17.920 ( -4.815 -4.084 0.529) 6.336 18.753 ( -29.156 -3.489 -5.777) 29.927 19.946 ( -3.454 0.914 -2.234) 4.214 20.807 ( 3.993 -7.802 -3.297) 9.364 20.971 ( 2.002 -8.133 -1.948) 8.599 21.473 ( -0.830 -7.105 3.486) 7.957 ======================= Grid point 476 (87/143) ======================= q-point: ( 0.42 0.00 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 1.381 2.133 -7.891) 8.290 1.870 ( -1.672 1.584 1.141) 2.570 2.058 ( -2.680 -5.010 1.500) 5.877 2.553 ( 0.586 -2.092 2.261) 3.136 3.731 ( 22.701 11.857 -2.881) 25.773 4.830 ( -22.034 -14.247 -0.212) 26.240 6.824 ( 40.440 20.854 -1.581) 45.528 7.246 ( 6.068 -4.433 3.799) 8.420 7.520 ( 5.579 6.921 -3.906) 9.710 8.500 ( -12.890 -6.380 -1.994) 14.520 8.736 ( 2.025 0.255 -0.169) 2.048 9.083 ( -26.874 -16.353 -2.015) 31.522 9.514 ( -8.070 1.947 -0.068) 8.302 11.971 ( 0.899 7.860 -1.251) 8.010 12.205 ( 4.731 1.808 4.358) 6.682 14.150 ( 0.110 -1.101 1.213) 1.642 14.442 ( -3.507 -0.070 -0.230) 3.516 16.000 ( 10.944 4.641 -2.348) 12.117 16.457 ( 1.471 6.274 -19.909) 20.926 16.792 ( 5.205 11.066 10.461) 16.093 17.662 ( -14.403 -8.857 -1.731) 16.997 17.990 ( -9.035 2.987 11.187) 14.687 18.624 ( 8.392 9.861 -4.128) 13.591 19.865 ( -6.053 0.120 -5.794) 8.380 20.806 ( 5.277 -8.595 -4.395) 11.002 20.925 ( 1.268 -6.374 -0.763) 6.544 21.401 ( 1.424 -8.044 3.236) 8.787 ======================= Grid point 477 (88/143) ======================= q-point: (-0.50 0.00 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -1.649 2.857 -11.910) 12.359 1.850 ( 0.365 -0.632 2.861) 2.952 2.014 ( 1.488 -2.578 1.461) 3.316 2.550 ( 0.974 -1.687 2.482) 3.155 4.183 ( 0.232 -0.402 -8.922) 8.934 4.372 ( 1.024 -1.774 4.141) 4.620 7.273 ( 3.854 -6.675 4.039) 8.702 7.487 ( 1.364 -2.363 -2.846) 3.943 7.520 ( -1.938 3.357 -2.304) 4.510 8.297 ( -0.039 0.068 -6.201) 6.201 8.681 ( 8.050 -13.943 1.490) 16.169 8.785 ( -9.628 16.676 -1.115) 19.288 9.449 ( -1.594 2.761 0.387) 3.212 12.017 ( -2.613 4.526 -2.046) 5.613 12.256 ( -0.585 1.013 5.255) 5.384 14.145 ( 1.084 -1.877 1.473) 2.621 14.411 ( -1.421 2.461 -0.605) 2.905 16.120 ( -0.502 0.870 -3.804) 3.934 16.482 ( -0.658 1.140 -21.231) 21.271 16.992 ( -6.003 10.398 13.350) 17.955 17.392 ( 0.618 -1.071 -5.639) 5.773 17.910 ( -2.268 3.929 10.998) 11.897 18.795 ( -1.571 2.720 1.753) 3.597 19.797 ( -1.743 3.020 -8.938) 9.594 20.811 ( 5.554 -9.621 -5.351) 12.330 20.902 ( 2.388 -4.136 0.234) 4.782 21.372 ( 4.247 -7.356 3.221) 9.084 ======================= Grid point 485 (89/143) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.948 8.571 6.772) 11.992 1.746 ( 1.035 1.793 4.153) 4.640 2.367 ( 6.929 12.001 0.207) 13.859 2.460 ( -2.790 -4.832 22.662) 23.339 3.304 ( 15.043 26.056 -3.609) 30.302 3.636 ( -7.491 -12.975 2.825) 15.246 5.848 ( -2.382 -4.126 1.414) 4.970 6.977 ( 1.965 3.404 -2.957) 4.919 7.066 ( 1.466 2.539 -1.199) 3.167 8.881 ( -2.872 -4.975 8.403) 10.179 9.403 ( -5.105 -8.841 -4.796) 11.280 9.808 ( -3.234 -5.602 1.565) 6.655 10.549 ( 9.457 16.381 -3.871) 19.307 11.401 ( -3.911 -6.774 -1.026) 7.888 11.683 ( 5.100 8.833 0.727) 10.225 14.288 ( -1.674 -2.900 -2.546) 4.206 14.485 ( 7.229 12.521 -0.021) 14.458 14.880 ( -0.344 -0.596 5.324) 5.368 15.607 ( 15.541 26.917 -5.222) 31.517 16.665 ( 5.174 8.961 6.400) 12.167 16.738 ( 1.693 2.933 11.808) 12.284 18.125 ( -1.390 -2.408 1.465) 3.143 19.897 ( 1.754 3.037 -0.380) 3.528 20.508 ( -11.989 -20.766 -9.163) 25.669 20.778 ( -2.905 -5.031 -2.692) 6.403 20.922 ( -2.079 -3.601 -2.393) 4.797 21.637 ( -2.783 -4.819 6.422) 8.498 ======================= Grid point 486 (90/143) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -2.895 2.490 1.492) 4.100 1.775 ( 2.867 3.207 2.724) 5.091 2.363 ( -5.046 1.038 14.024) 14.941 2.688 ( 8.989 14.292 1.657) 16.965 3.090 ( -10.283 -15.260 -2.224) 18.535 4.277 ( 37.098 33.474 3.787) 50.111 5.726 ( -6.406 -6.427 1.944) 9.281 7.064 ( 0.466 0.392 -0.112) 0.619 7.091 ( 4.652 3.012 -0.964) 5.625 8.802 ( -2.867 -0.806 5.271) 6.054 9.197 ( -8.570 -9.137 -4.078) 13.174 9.661 ( -3.153 -13.293 0.880) 13.691 10.671 ( -14.711 11.331 -3.427) 18.882 11.368 ( 13.782 -11.630 -1.004) 18.061 11.884 ( 5.043 13.381 1.999) 14.439 14.203 ( -2.417 -5.842 -0.997) 6.400 14.696 ( -3.639 14.407 2.010) 14.995 14.985 ( 17.046 0.789 0.704) 17.079 16.068 ( 11.165 16.020 -8.060) 21.125 16.767 ( -1.657 6.252 9.412) 11.420 17.027 ( 18.757 20.926 -0.853) 28.115 18.056 ( -2.761 -4.654 1.936) 5.748 19.902 ( -22.538 -10.236 -6.482) 25.588 19.981 ( -6.207 -5.325 -5.034) 9.603 20.714 ( 1.551 -7.614 -1.710) 7.957 20.871 ( 1.836 -6.965 1.770) 7.417 21.542 ( -2.718 -5.490 5.709) 8.374 ======================= Grid point 487 (91/143) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -1.481 2.498 -0.126) 2.907 1.858 ( 3.184 2.187 0.726) 3.931 2.261 ( -7.146 -3.152 5.411) 9.501 2.723 ( -9.238 6.326 1.264) 11.267 3.146 ( 12.244 12.984 0.589) 17.857 5.240 ( 36.374 19.324 0.960) 41.199 5.515 ( -5.359 -2.892 1.774) 6.343 7.047 ( 2.820 -5.456 2.675) 6.699 7.265 ( 7.753 7.538 -2.189) 11.033 8.755 ( -3.079 -1.270 1.105) 3.509 8.955 ( -11.176 -3.509 -1.876) 11.863 9.435 ( -3.081 -22.208 0.155) 22.422 10.366 ( -29.759 10.709 -3.197) 31.788 11.562 ( 19.906 -12.669 -1.011) 23.617 12.101 ( 3.577 15.404 2.421) 15.998 14.104 ( -0.263 -9.299 0.179) 9.304 14.699 ( -8.611 12.099 1.072) 14.889 15.384 ( 22.239 6.386 -0.253) 23.139 16.331 ( 5.635 12.425 -10.424) 17.170 16.783 ( -2.191 4.006 6.635) 8.054 17.633 ( 21.953 24.544 -1.286) 32.955 17.940 ( -4.077 -6.630 1.986) 8.033 19.219 ( -32.101 -13.530 -10.855) 36.488 19.983 ( -0.606 -0.300 -2.197) 2.299 20.673 ( 2.309 -7.368 -1.490) 7.863 20.843 ( 3.196 -7.662 3.330) 8.944 21.431 ( -2.770 -7.466 5.054) 9.431 ======================= Grid point 488 (92/143) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 0.895 3.381 -1.979) 4.018 1.911 ( 0.837 1.033 -0.474) 1.412 2.080 ( -6.882 -6.378 0.256) 9.387 2.698 ( -7.628 15.469 2.956) 17.499 3.541 ( 16.169 17.750 -1.059) 24.034 5.072 ( -20.272 -10.658 0.524) 22.909 6.273 ( 44.842 17.586 -0.816) 48.174 7.063 ( 6.471 -7.800 3.102) 10.599 7.480 ( 7.799 8.073 -2.272) 11.453 8.577 ( -9.033 -12.000 -2.335) 15.200 8.787 ( -9.438 -5.652 -0.402) 11.008 9.179 ( -3.695 -8.997 0.146) 9.728 9.962 ( -29.416 12.123 -2.750) 31.935 11.745 ( 16.210 -13.389 -0.994) 21.048 12.294 ( 0.954 15.211 2.217) 15.401 14.019 ( 2.422 -11.361 0.705) 11.638 14.670 ( -9.515 13.652 0.266) 16.643 15.801 ( 18.113 6.521 -1.353) 19.299 16.523 ( 1.326 11.010 -15.692) 19.215 16.807 ( 2.480 5.521 5.074) 7.898 17.754 ( -7.478 -8.457 1.432) 11.379 18.122 ( 4.256 11.082 6.772) 13.667 18.702 ( -11.963 0.216 -12.132) 17.040 19.931 ( -3.469 -2.986 -5.010) 6.786 20.650 ( 3.265 -7.063 -1.439) 7.913 20.827 ( 3.018 -6.316 3.132) 7.669 21.312 ( -1.242 -9.170 5.782) 10.912 ======================= Grid point 489 (93/143) ======================= q-point: ( 0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 2.429 3.972 -4.166) 6.248 1.882 ( -5.083 -0.557 -3.363) 6.120 1.963 ( 0.495 -4.284 2.253) 4.865 2.723 ( -9.856 18.724 2.902) 21.358 4.033 ( 19.989 18.759 -2.686) 27.544 4.576 ( -24.597 -11.162 -0.414) 27.014 7.080 ( 13.517 -4.785 2.429) 14.543 7.136 ( 29.944 3.129 -0.450) 30.110 7.619 ( -1.488 1.213 -1.715) 2.574 8.285 ( -8.010 -14.241 -3.823) 16.780 8.470 ( -4.547 -18.239 -1.593) 18.864 9.199 ( -6.965 22.363 0.028) 23.422 9.649 ( -17.762 8.873 -1.653) 19.923 11.842 ( 11.410 -14.744 -1.031) 18.672 12.413 ( -3.709 13.058 2.153) 13.744 13.969 ( 5.153 -11.609 0.790) 12.725 14.649 ( -9.482 15.285 0.132) 17.988 16.086 ( 7.788 4.202 -3.130) 9.387 16.540 ( -4.237 2.759 -15.240) 16.057 17.042 ( 11.207 12.902 0.789) 17.107 17.481 ( -13.512 -9.155 -3.234) 16.639 18.016 ( -8.121 -0.171 8.341) 11.643 18.829 ( 4.874 10.493 -1.830) 11.714 19.833 ( -2.587 -3.521 -9.405) 10.370 20.642 ( 3.856 -6.970 -1.504) 8.106 20.821 ( 2.425 -4.524 2.390) 5.662 21.228 ( 2.586 -9.253 7.032) 11.906 ======================= Grid point 498 (94/143) ======================= q-point: ( 0.17 0.17 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.343 0.595 0.910) 1.140 1.814 ( 1.325 2.295 1.683) 3.140 2.311 ( -4.042 -7.001 4.504) 9.254 2.884 ( -1.281 -2.218 1.408) 2.923 3.100 ( 13.089 22.670 1.545) 26.223 4.972 ( 21.348 36.975 0.981) 42.707 5.567 ( -5.781 -10.013 2.355) 11.799 6.994 ( -2.695 -4.668 2.972) 6.155 7.232 ( 5.349 9.264 -2.556) 10.998 8.778 ( -2.346 -4.063 0.667) 4.738 9.053 ( -1.765 -3.057 -1.278) 3.754 9.332 ( -11.408 -19.759 0.225) 22.817 10.865 ( 0.863 1.496 -3.823) 4.195 11.132 ( -3.437 -5.953 -0.806) 6.921 12.150 ( 7.621 13.200 2.370) 15.425 14.055 ( -4.661 -8.074 0.245) 9.326 14.922 ( 1.772 3.070 0.433) 3.571 15.137 ( 10.945 18.957 0.322) 21.892 16.347 ( 7.535 13.051 -9.460) 17.793 16.825 ( 0.454 0.787 6.275) 6.341 17.564 ( 17.470 30.259 -2.912) 35.062 17.940 ( -4.100 -7.102 2.646) 8.617 19.455 ( -16.503 -28.583 -17.468) 37.343 19.978 ( -0.159 -0.275 -1.025) 1.073 20.611 ( -1.723 -2.985 2.534) 4.278 20.765 ( -2.264 -3.922 5.234) 6.921 21.419 ( -4.106 -7.112 5.341) 9.796 ======================= Grid point 499 (95/143) ======================= q-point: ( 0.25 0.17 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -0.626 3.069 1.182) 3.348 1.869 ( 2.972 -0.240 0.413) 3.010 2.129 ( -6.576 -8.503 -1.565) 10.862 2.953 ( 0.061 15.239 3.106) 15.552 3.537 ( 10.479 24.315 0.992) 26.496 5.293 ( -14.832 -6.151 1.511) 16.128 5.743 ( 34.412 18.834 -1.307) 39.251 6.920 ( 0.979 -6.686 3.022) 7.403 7.434 ( 7.095 9.303 -2.112) 11.889 8.609 ( -7.339 -10.482 -2.628) 13.063 8.864 ( -15.438 -22.851 -0.572) 27.583 9.153 ( 5.543 8.191 0.949) 9.936 10.603 ( -30.220 12.091 -3.121) 32.699 11.251 ( 22.129 -18.479 -1.367) 28.863 12.390 ( 4.844 13.708 1.507) 14.617 13.909 ( -2.046 -9.585 0.522) 9.814 14.943 ( -5.829 10.945 0.504) 12.411 15.561 ( 18.333 12.283 -0.684) 22.078 16.597 ( 5.494 14.388 -12.204) 19.650 16.815 ( -0.600 -0.686 2.474) 2.637 17.779 ( -5.594 -8.465 2.994) 10.579 18.108 ( 13.193 20.121 2.300) 24.171 18.911 ( -17.322 -15.476 -21.990) 31.986 19.937 ( -2.158 -4.372 -2.554) 5.504 20.575 ( 0.138 -2.382 3.647) 4.358 20.719 ( 1.893 -4.931 6.421) 8.315 21.268 ( -4.033 -9.062 6.367) 11.787 ======================= Grid point 500 (96/143) ======================= q-point: ( 0.33 0.17 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.802 2.781 0.189) 2.901 1.896 ( 1.861 -2.534 2.056) 3.757 1.962 ( -5.084 -4.535 -4.766) 8.314 3.112 ( -5.940 24.217 2.718) 25.083 3.950 ( 12.548 21.433 0.737) 24.847 4.912 ( -22.829 -4.252 -0.293) 23.224 6.523 ( 39.882 8.687 -2.095) 40.871 6.894 ( 4.549 -8.928 3.003) 10.460 7.614 ( 3.772 3.891 -1.147) 5.539 8.306 ( -14.077 -21.234 -2.757) 25.625 8.415 ( -7.186 -14.996 -2.644) 16.838 9.406 ( 5.847 21.807 0.393) 22.581 10.189 ( -30.736 10.614 -2.695) 32.628 11.411 ( 18.477 -20.296 -1.116) 27.470 12.569 ( 0.571 12.454 0.764) 12.490 13.807 ( 1.297 -9.531 0.399) 9.627 14.949 ( -7.641 13.629 1.153) 15.667 15.953 ( 14.293 9.220 -2.244) 17.157 16.661 ( -6.574 1.590 -8.208) 10.636 16.958 ( 11.383 10.775 -6.571) 16.996 17.581 ( -8.367 -8.656 0.810) 12.066 18.152 ( -10.814 -7.330 -2.773) 13.355 18.845 ( 6.955 13.485 -10.214) 18.290 19.825 ( -3.398 -7.525 -5.803) 10.092 20.561 ( 0.569 -1.908 3.639) 4.148 20.725 ( 3.642 -4.123 5.563) 7.824 21.122 ( -1.485 -9.880 8.902) 13.382 ======================= Grid point 501 (97/143) ======================= q-point: ( 0.42 0.17 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 0.542 -0.939 1.177) 1.600 1.881 ( -0.847 1.466 -7.079) 7.279 1.897 ( 1.498 -2.595 2.734) 4.056 3.185 ( -14.459 25.044 2.489) 29.026 4.307 ( 1.619 -2.804 4.318) 5.397 4.548 ( -11.348 19.655 -5.019) 23.244 6.890 ( 5.782 -10.015 3.066) 11.964 7.077 ( 8.657 -14.994 -1.476) 17.376 7.530 ( 4.143 -7.177 0.186) 8.289 8.060 ( 2.899 -5.021 -5.503) 7.993 8.268 ( 2.606 -4.515 -2.229) 5.669 9.705 ( -13.631 23.610 0.340) 27.264 9.839 ( -7.976 13.814 -2.887) 16.211 11.469 ( 13.216 -22.891 -0.953) 26.450 12.637 ( -5.420 9.388 0.572) 10.856 13.771 ( 4.714 -8.165 0.295) 9.433 14.951 ( -8.314 14.401 1.491) 16.695 16.151 ( -1.147 1.987 -2.824) 3.638 16.578 ( -0.780 1.352 -9.003) 9.137 17.241 ( -2.152 3.727 -5.447) 6.942 17.345 ( 0.520 -0.901 -5.356) 5.457 17.989 ( 1.361 -2.357 -3.477) 4.415 19.018 ( -4.861 8.419 -1.959) 9.917 19.737 ( 3.221 -5.579 -9.018) 11.082 20.556 ( 1.003 -1.737 3.586) 4.109 20.741 ( 2.214 -3.834 4.184) 6.091 21.054 ( 4.599 -7.966 10.912) 14.272 ======================= Grid point 508 (98/143) ======================= q-point: (-0.08 0.17 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -3.704 6.415 11.680) 13.831 1.767 ( -0.256 0.443 5.822) 5.845 2.431 ( 2.018 -3.495 20.680) 21.070 2.579 ( -4.681 8.109 -2.364) 9.657 3.343 ( -20.962 36.307 -2.695) 42.010 3.630 ( 9.806 -16.984 2.344) 19.751 5.857 ( 2.104 -3.644 1.286) 4.400 6.981 ( -1.799 3.115 -3.010) 4.691 7.043 ( -2.147 3.719 -0.549) 4.329 8.880 ( 3.600 -6.235 7.963) 10.735 9.426 ( 4.383 -7.591 -4.836) 10.011 9.811 ( 2.556 -4.427 1.686) 5.382 10.577 ( -9.155 15.857 -4.985) 18.976 11.323 ( 5.361 -9.285 0.515) 10.734 11.750 ( -6.199 10.737 -0.605) 12.413 14.140 ( 2.242 -3.883 1.152) 4.629 14.634 ( -8.340 14.446 -2.788) 16.912 14.917 ( 0.265 -0.459 5.035) 5.063 15.586 ( -16.503 28.585 -5.194) 33.413 16.473 ( 2.740 -4.746 14.155) 15.179 16.795 ( -3.865 6.694 6.591) 10.158 18.144 ( 0.628 -1.087 1.089) 1.662 19.883 ( -1.183 2.048 -0.031) 2.365 20.190 ( 18.275 -31.654 -4.102) 36.780 20.906 ( -0.571 0.988 -2.170) 2.451 21.117 ( -1.586 2.747 -7.903) 8.515 21.685 ( 1.425 -2.467 4.825) 5.603 ======================= Grid point 512 (99/143) ======================= q-point: ( 0.25 0.25 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 1.211 2.097 1.761) 2.994 1.852 ( -0.971 -1.682 1.726) 2.598 1.984 ( -3.222 -5.581 -5.034) 8.177 3.285 ( 10.291 17.824 2.240) 20.703 3.974 ( 10.267 17.782 2.433) 20.677 5.146 ( -4.918 -8.519 1.461) 9.945 6.150 ( 13.792 23.889 -3.970) 27.869 6.805 ( -2.799 -4.848 3.018) 6.360 7.597 ( 3.148 5.452 -1.110) 6.392 8.323 ( -15.806 -27.377 -2.341) 31.698 8.406 ( -5.797 -10.041 -3.004) 11.977 9.462 ( 11.465 19.857 0.407) 22.933 10.756 ( -3.778 -6.544 -4.340) 8.713 10.905 ( -4.009 -6.944 0.090) 8.018 12.627 ( 5.799 10.044 0.620) 11.614 13.748 ( -3.763 -6.518 0.288) 7.532 15.102 ( 3.127 5.416 1.892) 6.534 15.856 ( 9.681 16.768 -2.167) 19.483 16.745 ( -3.185 -5.516 -1.744) 6.604 16.898 ( 8.746 15.148 -12.545) 21.525 17.608 ( -5.003 -8.665 3.000) 10.446 18.210 ( -6.794 -11.767 -8.044) 15.791 18.854 ( 7.177 12.430 -16.236) 21.671 19.816 ( -4.524 -7.836 -2.758) 9.459 20.562 ( 0.171 0.296 6.202) 6.211 20.655 ( -0.805 -1.395 7.464) 7.636 21.087 ( -5.170 -8.954 9.004) 13.710 ======================= Grid point 513 (100/143) ======================= q-point: ( 0.33 0.25 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -0.586 -1.933 1.322) 2.414 1.855 ( 1.869 0.548 0.965) 2.174 1.909 ( -1.917 -1.742 -4.138) 4.882 3.585 ( -1.639 23.141 1.848) 23.272 4.188 ( 5.598 -0.830 3.246) 6.524 4.995 ( -13.281 12.529 0.056) 18.259 6.674 ( 25.215 8.752 -3.311) 26.896 6.739 ( 1.892 -6.030 3.157) 7.065 7.447 ( -11.300 -23.150 -0.312) 25.762 8.025 ( -0.073 -0.781 -4.509) 4.577 8.232 ( -3.814 -7.189 -3.071) 8.698 9.891 ( 11.684 26.471 -1.096) 28.956 10.359 ( -31.121 6.350 -2.218) 31.840 10.965 ( 17.781 -24.802 -1.055) 30.535 12.767 ( 0.194 7.327 0.403) 7.341 13.661 ( 0.348 -5.197 0.044) 5.209 15.168 ( -2.819 8.055 3.200) 9.114 16.161 ( 7.242 11.822 -3.396) 14.274 16.596 ( -4.827 -7.406 -4.724) 10.023 17.198 ( 9.780 12.352 -9.056) 18.172 17.438 ( -7.834 -5.430 -0.318) 9.538 17.939 ( -4.691 -12.166 -19.573) 23.519 19.141 ( 4.751 15.305 -5.230) 16.857 19.649 ( -2.869 -10.321 -4.699) 11.698 20.564 ( -1.201 1.912 6.646) 7.019 20.663 ( 3.017 -2.394 6.408) 7.476 20.942 ( -1.073 -7.844 12.697) 14.963 ======================= Grid point 519 (101/143) ======================= q-point: (-0.17 0.25 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -9.012 6.924 4.437) 12.200 1.735 ( 1.909 -1.840 5.754) 6.336 2.372 ( 3.391 0.711 11.971) 12.462 2.763 ( -4.541 12.304 0.465) 13.123 3.133 ( 11.870 -13.749 -1.489) 18.225 4.355 ( -37.225 38.486 1.548) 53.566 5.741 ( 6.642 -5.779 1.719) 8.970 7.076 ( -4.481 5.392 -2.695) 7.511 7.111 ( -2.430 1.816 1.146) 3.243 8.751 ( 4.351 -5.489 5.493) 8.902 9.245 ( 8.623 -6.301 -3.985) 11.399 9.696 ( 2.138 -11.117 0.299) 11.324 10.641 ( 18.201 8.193 -3.079) 20.196 11.257 ( -14.501 -14.599 1.093) 20.606 11.973 ( -4.663 13.851 0.446) 14.622 14.082 ( -0.911 -6.095 1.690) 6.390 14.795 ( 8.366 11.713 1.196) 14.444 15.065 ( -18.149 5.967 -0.889) 19.126 16.100 ( -8.987 19.450 -7.491) 22.698 16.429 ( -6.898 -6.965 12.356) 15.772 17.023 ( -13.225 14.729 1.222) 19.833 18.103 ( 2.719 -1.901 1.006) 3.466 19.502 ( 22.534 -34.772 -3.612) 41.592 19.920 ( -1.457 -0.121 0.350) 1.503 20.920 ( 1.225 2.988 -1.617) 3.612 21.141 ( 2.170 3.678 -7.522) 8.650 21.635 ( 2.787 -0.297 3.737) 4.672 ======================= Grid point 525 (102/143) ======================= q-point: ( 0.33 0.33 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.000 -0.000 1.183) 1.183 1.879 ( -0.697 -1.207 -1.361) 1.948 1.879 ( 0.697 1.207 -1.361) 1.948 3.987 ( -8.451 -14.638 2.205) 17.046 3.987 ( 8.451 14.638 2.205) 17.046 5.173 ( -0.000 -0.000 2.175) 2.175 6.671 ( -0.000 -0.000 3.265) 3.265 6.963 ( -10.635 -18.421 -2.769) 21.450 6.963 ( 10.635 18.421 -2.769) 21.450 8.104 ( -2.981 -5.164 -3.575) 6.952 8.104 ( 2.981 5.164 -3.575) 6.952 10.324 ( 0.000 0.000 -6.431) 6.431 10.486 ( -8.823 -15.282 0.807) 17.664 10.486 ( 8.823 15.282 0.807) 17.664 12.841 ( -0.000 -0.000 0.504) 0.504 13.609 ( -0.000 -0.000 -0.099) 0.099 15.248 ( -0.000 -0.000 4.359) 4.359 16.400 ( -5.923 -10.259 -4.372) 12.627 16.400 ( 5.923 10.259 -4.372) 12.627 17.370 ( -1.677 -2.905 -1.408) 3.638 17.370 ( 1.677 2.905 -1.408) 3.638 17.780 ( -0.000 -0.000 -32.265) 32.265 19.420 ( -6.503 -11.263 -4.119) 13.642 19.420 ( 6.503 11.263 -4.119) 13.642 20.616 ( -1.374 -2.379 6.666) 7.210 20.616 ( 1.374 2.379 6.666) 7.210 20.854 ( -0.000 -0.000 15.280) 15.280 ======================= Grid point 532 (103/143) ======================= q-point: (-0.25 0.33 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.253 2.264 -1.590) 2.778 1.755 ( -5.495 2.623 3.701) 7.125 2.291 ( 6.425 -1.612 5.357) 8.519 2.786 ( 9.898 7.786 0.947) 12.629 3.156 ( -12.316 12.435 0.484) 17.508 5.363 ( -39.424 26.964 -1.595) 47.790 5.507 ( 11.485 -5.015 1.981) 12.687 7.168 ( -3.689 -0.219 1.489) 3.985 7.234 ( -6.387 7.531 -2.378) 10.157 8.633 ( 2.866 -6.506 2.460) 7.523 9.028 ( 11.605 -1.767 -2.226) 11.948 9.506 ( 2.237 -21.024 -1.213) 21.178 10.258 ( 31.180 6.811 -1.209) 31.938 11.431 ( -20.403 -15.199 1.765) 25.503 12.157 ( -1.958 12.016 1.573) 12.276 14.044 ( -2.866 -8.411 1.376) 8.991 14.728 ( 10.333 9.663 0.854) 14.173 15.486 ( -19.870 10.100 -1.504) 22.341 16.233 ( -0.642 3.133 0.042) 3.198 16.554 ( -8.326 -1.668 2.065) 8.739 17.525 ( -22.669 17.859 0.736) 28.868 18.008 ( 5.702 -3.282 0.705) 6.616 18.809 ( 19.464 -29.690 -4.536) 35.790 19.917 ( 0.131 -3.356 0.038) 3.359 20.926 ( 2.200 4.527 -1.949) 5.397 21.120 ( 4.709 4.090 -6.471) 8.987 21.584 ( 3.879 1.448 1.781) 4.508 ======================= Grid point 533 (104/143) ======================= q-point: (-0.17 0.33 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.052 -0.090 2.440) 2.442 1.715 ( -4.432 7.676 1.753) 9.035 2.342 ( 2.766 -4.790 5.411) 7.738 2.961 ( 0.626 -1.084 0.891) 1.536 3.090 ( -11.402 19.748 1.735) 22.869 5.129 ( -22.928 39.712 -2.360) 45.916 5.589 ( 5.785 -10.020 2.028) 11.747 7.127 ( -0.037 0.064 0.880) 0.883 7.217 ( -5.063 8.770 -2.282) 10.381 8.631 ( 3.985 -6.902 2.846) 8.463 9.137 ( 2.335 -4.045 -2.072) 5.110 9.402 ( 10.641 -18.430 -1.199) 21.315 10.773 ( 1.684 -2.917 -2.327) 4.094 10.967 ( 4.028 -6.977 2.679) 8.490 12.202 ( -5.367 9.295 1.951) 10.909 13.973 ( 2.943 -5.097 1.967) 6.205 14.919 ( -0.843 1.461 1.077) 2.001 15.308 ( -10.423 18.052 -2.421) 20.985 16.286 ( 2.504 -4.337 14.413) 15.258 16.435 ( -6.450 11.172 -9.622) 16.093 17.418 ( -13.844 23.979 0.251) 27.689 18.041 ( 2.637 -4.567 0.653) 5.313 18.829 ( 18.568 -32.161 -4.813) 37.447 19.900 ( 1.340 -2.321 0.901) 2.827 20.967 ( -1.099 1.903 -1.632) 2.737 21.183 ( -0.424 0.735 -7.446) 7.494 21.625 ( 0.388 -0.672 1.015) 1.278 ======================= Grid point 545 (105/143) ======================= q-point: (-0.33 0.42 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.402 2.645 -5.585) 6.193 1.839 ( -2.070 1.156 1.923) 3.052 2.152 ( 6.264 -2.143 1.299) 6.746 2.756 ( 8.837 16.750 1.780) 19.022 3.566 ( -16.642 18.774 -1.353) 25.125 5.110 ( 21.150 -9.497 0.153) 23.185 6.347 ( -42.547 21.704 -2.620) 47.835 7.232 ( -5.011 -2.187 1.471) 5.662 7.426 ( -6.732 7.872 -2.557) 10.669 8.498 ( 3.708 -11.137 -0.377) 11.744 8.823 ( 11.329 -4.533 -1.316) 12.273 9.218 ( 6.534 -16.950 -1.121) 18.201 9.818 ( 28.135 9.553 0.230) 29.714 11.611 ( -18.385 -16.381 2.202) 24.722 12.276 ( 0.035 9.038 2.377) 9.346 14.012 ( -4.333 -10.671 0.826) 11.547 14.654 ( 10.597 12.044 0.691) 16.057 15.877 ( -14.277 7.233 -1.619) 16.086 16.304 ( -7.728 -1.382 -5.119) 9.372 16.652 ( -4.683 0.758 2.043) 5.165 17.811 ( 11.794 -9.677 -0.194) 15.257 17.903 ( -4.306 -1.912 8.476) 9.697 18.466 ( -6.161 -1.134 -7.057) 9.436 19.844 ( 2.300 -7.012 -1.854) 7.609 20.938 ( 2.199 5.652 -2.609) 6.602 21.068 ( 6.002 4.351 -5.535) 9.252 21.535 ( 4.452 3.306 0.299) 5.554 ======================= Grid point 546 (106/143) ======================= q-point: (-0.25 0.42 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -0.788 2.401 -2.230) 3.371 1.825 ( -2.210 3.150 0.927) 3.958 2.214 ( 4.881 -4.960 1.115) 7.048 3.039 ( 0.828 16.665 1.476) 16.751 3.528 ( -13.345 24.048 1.237) 27.531 5.329 ( 13.892 -8.805 1.371) 16.504 5.907 ( -31.606 24.228 -4.932) 40.128 7.127 ( -2.139 -3.249 -0.275) 3.900 7.407 ( -6.157 9.579 -1.742) 11.520 8.475 ( 5.015 -9.222 0.360) 10.503 8.939 ( 16.089 -21.041 -2.121) 26.572 9.157 ( -2.524 0.156 0.366) 2.556 10.432 ( 30.995 9.074 0.145) 32.296 11.081 ( -21.948 -19.847 2.220) 29.674 12.342 ( -1.922 7.096 3.015) 7.946 13.880 ( 0.392 -7.992 1.154) 8.085 14.922 ( 5.778 9.398 1.070) 11.084 15.682 ( -15.467 10.160 -2.509) 18.675 16.216 ( 0.028 -3.749 10.544) 11.190 16.614 ( -4.595 6.483 -8.527) 11.655 17.788 ( -4.306 1.679 6.464) 7.946 17.919 ( 5.697 -5.237 0.293) 7.744 18.392 ( 1.295 -5.965 -9.372) 11.184 19.819 ( 3.005 -6.753 0.561) 7.413 20.999 ( 0.054 3.028 -2.272) 3.786 21.176 ( 2.495 1.661 -6.721) 7.359 21.610 ( 1.641 1.143 -1.399) 2.440 ======================= Grid point 558 (107/143) ======================= q-point: (-0.42 0.50 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.398 1.919 -9.161) 9.368 1.861 ( 0.029 0.561 2.643) 2.702 2.066 ( 2.774 0.578 -0.192) 2.840 2.776 ( 10.887 20.424 1.703) 23.207 4.065 ( -18.801 20.055 -3.617) 27.726 4.617 ( 24.767 -9.586 -0.581) 26.564 7.193 ( -33.261 11.796 -2.917) 35.411 7.284 ( -5.055 -3.323 1.391) 6.207 7.563 ( 0.387 2.585 -2.717) 3.770 8.284 ( 7.392 -13.906 -3.625) 16.161 8.484 ( 3.915 -22.702 -2.182) 23.140 9.108 ( 10.026 19.126 1.860) 21.675 9.529 ( 12.913 4.394 1.017) 13.678 11.718 ( -14.055 -18.527 2.157) 23.355 12.335 ( 1.990 6.492 2.994) 7.421 13.987 ( -5.923 -11.735 0.410) 13.151 14.611 ( 9.758 14.645 0.944) 17.623 16.071 ( -4.704 0.490 -2.943) 5.571 16.430 ( -6.534 -2.861 -16.925) 18.367 16.762 ( -8.099 -1.460 13.254) 15.601 17.480 ( 11.019 -7.594 -3.395) 13.806 17.846 ( 0.023 -5.684 7.554) 9.454 18.721 ( -8.908 6.142 0.686) 10.842 19.730 ( 0.664 -8.109 -5.426) 9.779 20.964 ( 1.579 6.244 -3.068) 7.134 21.010 ( 6.042 5.039 -4.921) 9.279 21.504 ( 3.883 4.997 -0.447) 6.344 ======================= Grid point 559 (108/143) ======================= q-point: (-0.33 0.50 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -0.114 2.496 -5.098) 5.677 1.863 ( -0.471 0.829 1.470) 1.752 2.113 ( 3.047 -1.534 -1.406) 3.689 3.194 ( 6.997 25.732 0.969) 26.684 3.994 ( -14.301 23.103 -0.250) 27.173 4.947 ( 21.861 -6.277 -0.368) 22.747 6.674 ( -37.102 11.947 -5.534) 39.369 7.138 ( -4.387 -6.182 -1.083) 7.658 7.586 ( -3.632 7.117 -1.176) 8.076 8.285 ( 7.017 -11.133 -1.276) 13.222 8.400 ( 14.026 -28.039 -3.358) 31.531 9.304 ( -4.249 16.208 2.174) 16.896 9.995 ( 29.791 8.321 1.132) 30.952 11.232 ( -19.220 -21.799 2.846) 29.201 12.415 ( 0.385 5.486 3.731) 6.646 13.809 ( -2.221 -9.376 0.375) 9.643 14.918 ( 8.155 13.901 1.741) 16.210 15.967 ( -9.135 2.180 -2.281) 9.665 16.228 ( -7.280 -6.129 4.257) 10.425 16.729 ( -1.836 6.020 -5.287) 8.219 17.574 ( 10.103 -10.902 -0.095) 14.864 17.801 ( 2.201 -6.903 2.951) 7.823 18.631 ( -12.212 13.431 -2.769) 18.363 19.673 ( 3.549 -10.321 -1.290) 10.990 21.028 ( 0.456 3.815 -2.922) 4.827 21.139 ( 3.940 2.657 -6.102) 7.734 21.595 ( 2.249 2.658 -2.916) 4.542 ======================= Grid point 560 (109/143) ======================= q-point: (-0.25 0.50 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -1.245 2.157 -3.272) 4.112 1.863 ( -0.489 0.847 0.654) 1.176 2.132 ( 1.785 -3.091 -1.797) 3.996 3.392 ( -10.554 18.280 0.028) 21.108 4.002 ( -12.436 21.539 1.856) 24.941 5.139 ( 6.045 -10.470 1.619) 12.197 6.364 ( -13.697 23.723 -8.148) 28.579 7.064 ( 1.626 -2.816 -1.569) 3.611 7.587 ( -4.521 7.830 -1.175) 9.118 8.293 ( 5.195 -8.998 -0.630) 10.409 8.384 ( 17.481 -30.278 -3.457) 35.132 9.344 ( -8.277 14.336 2.239) 16.704 10.504 ( 5.414 -9.377 0.541) 10.842 10.752 ( 3.452 -5.979 3.351) 7.674 12.447 ( -2.232 3.866 4.479) 6.324 13.742 ( 3.377 -5.849 0.451) 6.768 15.078 ( -3.630 6.288 2.288) 7.612 15.871 ( -4.838 8.380 -2.632) 10.028 16.137 ( 2.078 -3.600 9.574) 10.438 16.749 ( -3.693 6.396 -9.399) 11.954 17.604 ( 6.883 -11.922 2.344) 13.964 17.788 ( 4.506 -7.805 -0.003) 9.012 18.590 ( -10.234 17.725 -4.594) 20.977 19.652 ( 5.847 -10.127 0.502) 11.704 21.051 ( -1.421 2.462 -3.188) 4.272 21.187 ( 0.262 -0.453 -6.072) 6.094 21.628 ( -0.375 0.649 -3.774) 3.848 ======================= Grid point 570 (110/143) ======================= q-point: (-0.42 0.58 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 1.150 1.992 -6.101) 6.521 1.870 ( 0.076 0.132 1.964) 1.970 2.080 ( 0.490 0.849 -2.303) 2.503 3.266 ( 15.274 26.455 0.668) 30.554 4.414 ( -0.845 -1.464 2.201) 2.775 4.541 ( 10.369 17.960 -4.557) 21.234 7.145 ( -4.397 -7.615 -1.167) 8.870 7.234 ( -7.400 -12.818 -5.374) 15.746 7.567 ( -0.602 -1.043 -0.460) 1.289 8.001 ( -4.834 -8.372 -5.312) 11.031 8.212 ( -3.962 -6.862 -0.928) 7.978 9.580 ( 13.503 23.388 2.925) 27.164 9.623 ( 4.786 8.290 1.229) 9.651 11.290 ( -14.222 -24.633 3.077) 28.610 12.439 ( 2.426 4.203 4.036) 6.312 13.780 ( -5.034 -8.720 0.092) 10.069 14.917 ( 8.903 15.420 2.096) 17.929 16.042 ( -1.704 -2.951 -1.970) 3.936 16.282 ( -6.381 -11.052 -0.027) 12.762 16.781 ( 1.832 3.173 -1.087) 3.822 17.419 ( 0.364 0.630 -3.803) 3.872 17.741 ( -3.005 -5.205 3.550) 6.981 18.836 ( 3.000 5.197 1.453) 6.174 19.567 ( -4.564 -7.905 -3.555) 9.795 21.049 ( 1.854 3.212 -3.045) 4.799 21.112 ( 2.484 4.302 -5.996) 7.787 21.588 ( 2.013 3.486 -3.425) 5.285 ======================= Grid point 572 (111/143) ======================= q-point: (-0.33 0.58 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -0.000 2.039 -3.056) 3.674 1.866 ( -0.056 -0.522 0.627) 0.818 2.095 ( 0.761 -0.428 -3.667) 3.770 3.693 ( 2.341 24.037 -0.589) 24.158 4.293 ( -7.450 1.737 1.040) 7.720 4.956 ( 12.688 9.354 0.953) 15.792 6.862 ( -23.819 9.242 -7.426) 26.606 7.025 ( -1.495 -4.672 -2.125) 5.346 7.558 ( 9.685 -17.431 -2.258) 20.069 7.953 ( 3.289 -5.423 -3.637) 7.311 8.140 ( 2.553 -7.230 -1.145) 7.752 9.670 ( -9.185 18.948 2.101) 21.161 10.142 ( 27.014 7.236 2.394) 28.069 10.781 ( -16.228 -23.512 3.113) 28.737 12.497 ( 0.195 2.917 5.576) 6.296 13.661 ( -0.567 -5.360 0.049) 5.390 15.162 ( 3.257 10.081 3.156) 11.054 15.980 ( -2.842 -0.143 -0.858) 2.972 16.094 ( -3.038 -6.707 5.367) 9.112 16.841 ( -0.334 4.591 -8.080) 9.299 17.456 ( 2.891 -0.940 -1.516) 3.397 17.653 ( 0.911 -7.880 0.415) 7.944 18.912 ( -5.808 14.498 -0.536) 15.627 19.447 ( 3.137 -12.527 -0.622) 12.929 21.095 ( -0.233 3.062 -3.969) 5.018 21.166 ( 1.452 0.059 -5.514) 5.702 21.636 ( 0.612 1.457 -4.949) 5.195 ======================= Grid point 585 (112/143) ======================= q-point: (-0.33 -0.33 0.33) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -0.756 -1.310 -0.899) 1.759 1.845 ( 0.756 1.310 -0.899) 1.759 2.091 ( 0.000 0.000 -4.570) 4.570 4.105 ( -8.569 -14.841 -0.501) 17.145 4.105 ( 8.569 14.841 -0.501) 17.145 5.113 ( 0.000 0.000 3.401) 3.401 6.976 ( 0.000 0.000 -2.451) 2.451 7.126 ( -9.642 -16.700 -6.276) 20.278 7.126 ( 9.642 16.700 -6.275) 20.278 8.012 ( -2.981 -5.164 -1.723) 6.206 8.012 ( 2.981 5.164 -1.723) 6.206 9.904 ( 0.000 0.000 1.013) 1.013 10.358 ( -8.710 -15.086 3.478) 17.764 10.358 ( 8.710 15.086 3.478) 17.764 12.527 ( 0.000 0.000 6.500) 6.500 13.608 ( 0.000 0.000 -0.042) 0.042 15.270 ( 0.000 0.000 3.901) 3.901 15.997 ( -1.353 -2.343 2.207) 3.491 15.997 ( 1.353 2.343 2.207) 3.491 16.888 ( 0.000 0.000 -8.949) 8.949 17.513 ( -2.893 -5.010 -1.000) 5.871 17.513 ( 2.893 5.010 -1.000) 5.871 19.189 ( -6.862 -11.885 -0.166) 13.724 19.189 ( 6.862 11.885 -0.166) 13.724 21.146 ( -0.989 -1.713 -4.839) 5.228 21.146 ( 0.989 1.713 -4.839) 5.228 21.650 ( 0.000 0.000 -5.606) 5.606 ======================= Grid point 628 (113/143) ======================= q-point: ( 0.00 0.00 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 0.000 0.000 9.586) 9.586 1.730 ( 0.000 0.000 9.586) 9.586 2.177 ( 0.000 -0.000 -5.847) 5.847 2.177 ( -0.000 -0.000 -5.847) 5.847 3.311 ( 0.000 0.000 25.005) 25.005 3.978 ( 0.000 0.000 -17.706) 17.706 5.930 ( 0.000 0.000 0.331) 0.331 6.881 ( 0.000 0.000 -1.282) 1.282 6.881 ( 0.000 -0.000 -1.282) 1.282 9.194 ( 0.000 0.000 5.572) 5.572 9.516 ( 0.000 0.000 -5.213) 5.213 9.926 ( 0.000 -0.000 0.933) 0.933 9.926 ( 0.000 -0.000 0.933) 0.933 11.530 ( 0.000 -0.000 -0.268) 0.268 11.530 ( 0.000 0.000 -0.268) 0.268 14.248 ( 0.000 -0.000 -0.832) 0.832 14.248 ( 0.000 0.000 -0.832) 0.832 15.033 ( 0.000 0.000 2.891) 2.891 15.033 ( 0.000 -0.000 2.891) 2.891 16.835 ( -0.000 0.000 6.087) 6.087 16.835 ( -0.000 -0.000 6.087) 6.087 18.177 ( 0.000 0.000 0.417) 0.417 19.817 ( 0.000 -0.000 -0.259) 0.259 20.830 ( 0.000 0.000 -0.712) 0.712 20.869 ( 0.000 0.000 -2.941) 2.941 20.869 ( 0.000 -0.000 -2.941) 2.941 21.799 ( 0.000 0.000 0.503) 0.503 ======================= Grid point 629 (114/143) ======================= q-point: ( 0.08 0.00 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -4.612 5.395 10.447) 12.630 1.783 ( 0.348 -1.770 -1.511) 2.353 2.281 ( 13.705 -1.963 -1.029) 13.883 2.583 ( 26.251 20.010 -0.851) 33.019 3.204 ( -7.009 -4.195 19.669) 21.297 3.782 ( -14.310 -8.495 -12.903) 21.057 5.914 ( -1.576 -0.983 0.393) 1.899 6.897 ( 1.663 0.742 -1.228) 2.196 6.948 ( 4.808 3.374 -1.145) 5.984 9.128 ( -5.487 -3.175 5.337) 8.287 9.437 ( -5.547 -3.564 -3.901) 7.661 9.901 ( -2.144 -1.020 0.825) 2.513 10.190 ( 18.498 10.176 -1.005) 21.136 11.475 ( -4.656 -1.091 -0.118) 4.784 11.581 ( 4.934 1.377 -0.301) 5.131 14.231 ( -2.521 1.842 -0.119) 3.125 14.352 ( 9.889 2.334 -1.215) 10.233 15.011 ( -1.201 -1.723 2.504) 3.268 15.218 ( 15.315 9.800 1.437) 18.239 16.792 ( -1.959 -1.102 8.191) 8.493 16.855 ( 0.072 0.982 2.683) 2.858 18.171 ( -0.553 -0.467 0.454) 0.854 19.844 ( 2.152 1.335 -0.202) 2.541 20.638 ( -20.972 -5.911 -0.752) 21.802 20.834 ( 0.166 -1.998 -1.430) 2.462 20.892 ( 3.282 -2.188 -4.451) 5.948 21.779 ( -1.735 -1.347 1.301) 2.553 ======================= Grid point 630 (115/143) ======================= q-point: ( 0.17 0.00 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -2.700 5.008 3.836) 6.862 1.780 ( 1.790 -0.957 -0.544) 2.101 2.506 ( 10.341 2.906 0.798) 10.771 2.826 ( -8.123 -3.609 17.442) 19.577 3.166 ( -9.129 -7.118 -13.605) 17.863 3.816 ( 33.706 19.248 2.707) 38.909 5.844 ( -4.863 -3.015 0.560) 5.749 6.961 ( 4.188 2.378 -1.147) 4.951 7.066 ( 4.664 2.868 -0.274) 5.482 8.971 ( -7.901 -4.089 4.185) 9.832 9.273 ( -8.420 -5.711 -2.926) 10.587 9.838 ( -3.321 -2.188 0.540) 4.013 10.481 ( 2.107 1.132 -1.611) 2.883 11.448 ( 3.270 4.330 0.098) 5.427 11.716 ( 8.430 2.585 -0.155) 8.819 14.204 ( -2.406 1.431 -0.061) 2.801 14.577 ( 10.064 2.757 -0.080) 10.435 15.002 ( 3.673 1.102 1.027) 3.970 15.674 ( 21.504 12.706 -1.147) 25.004 16.776 ( -0.956 3.736 8.284) 9.138 16.884 ( 4.310 1.793 -0.881) 4.750 18.142 ( -1.881 -1.581 0.527) 2.513 19.902 ( 2.217 1.646 0.076) 2.762 20.084 ( -32.126 -11.453 -1.182) 34.127 20.804 ( 0.222 -4.368 -1.935) 4.783 20.936 ( 3.160 -1.071 -2.712) 4.299 21.714 ( -3.351 -2.921 1.854) 4.817 ======================= Grid point 631 (116/143) ======================= q-point: ( 0.25 0.00 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -2.272 0.030 -1.130) 2.538 1.827 ( 2.224 2.580 1.661) 3.790 2.529 ( -9.231 -4.367 10.877) 14.919 2.683 ( -4.258 -5.121 -3.933) 7.734 3.004 ( 4.778 2.410 -2.758) 6.020 4.797 ( 47.108 25.932 0.998) 53.783 5.664 ( -11.387 -6.780 0.647) 13.268 7.084 ( 6.763 3.479 -0.840) 7.652 7.159 ( 4.017 1.841 0.422) 4.439 8.812 ( -6.539 -1.981 2.531) 7.286 9.043 ( -10.713 -7.727 -2.168) 13.386 9.747 ( -4.070 -3.656 0.269) 5.477 10.252 ( -20.110 -10.045 -1.359) 22.521 11.646 ( 8.666 8.707 0.524) 12.295 11.905 ( 10.371 2.715 0.119) 10.721 14.182 ( -1.523 1.035 0.040) 1.842 14.630 ( -2.180 -2.933 0.813) 3.744 15.255 ( 18.123 8.779 -0.238) 20.139 16.034 ( 8.681 4.821 -2.477) 10.234 16.785 ( -2.702 3.790 3.704) 5.948 17.200 ( 24.343 14.704 -0.445) 28.443 18.068 ( -4.251 -3.314 0.523) 5.416 19.376 ( -34.627 -12.879 -0.058) 36.945 19.945 ( 0.218 0.716 -0.491) 0.895 20.764 ( 0.666 -4.810 -2.262) 5.357 20.963 ( 1.518 -1.919 -1.169) 2.712 21.616 ( -3.891 -3.956 1.404) 5.724 ======================= Grid point 632 (117/143) ======================= q-point: ( 0.33 0.00 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -1.841 -0.299 -3.040) 3.566 1.885 ( 1.447 2.141 1.300) 2.893 2.270 ( -10.923 -7.101 2.645) 13.294 2.600 ( -1.002 -1.930 -0.210) 2.185 3.269 ( 15.967 8.864 -0.465) 18.269 5.316 ( -18.646 -11.606 0.490) 21.969 5.839 ( 45.177 25.349 -0.183) 51.804 7.227 ( 7.464 -1.780 2.301) 8.011 7.274 ( 5.447 7.606 -2.347) 9.645 8.723 ( -6.090 3.940 1.567) 7.421 8.772 ( -8.563 -11.529 -1.889) 14.485 9.626 ( -1.680 -13.426 0.859) 13.558 9.705 ( -32.175 -5.328 -2.047) 32.677 11.842 ( 5.263 6.441 0.238) 8.322 12.106 ( 9.254 3.411 0.827) 9.897 14.172 ( -0.584 0.414 0.264) 0.763 14.532 ( -4.568 -3.075 0.301) 5.515 15.670 ( 18.349 8.422 -0.011) 20.189 16.129 ( 0.840 2.656 -5.233) 5.929 16.789 ( 0.206 3.549 2.031) 4.095 17.858 ( 28.308 17.980 1.791) 33.583 17.925 ( -7.081 -4.805 -0.053) 8.557 18.717 ( -27.873 -9.808 0.529) 29.553 19.910 ( -4.186 -1.659 -1.143) 4.645 20.736 ( 1.513 -4.587 -2.441) 5.412 20.950 ( -0.157 -2.667 -0.382) 2.698 21.515 ( -3.033 -4.284 0.894) 5.324 ======================= Grid point 633 (118/143) ======================= q-point: ( 0.42 0.00 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -1.583 0.488 -5.071) 5.334 1.903 ( -0.800 -0.056 1.054) 1.324 2.082 ( -4.094 -3.805 0.711) 5.634 2.586 ( 0.358 -0.721 0.881) 1.193 3.681 ( 20.336 11.218 -1.516) 23.274 4.831 ( -22.523 -13.683 0.103) 26.354 6.800 ( 39.381 21.824 -0.671) 45.029 7.315 ( 5.484 -2.643 2.650) 6.639 7.446 ( 4.761 6.855 -2.860) 8.823 8.470 ( -13.873 -7.665 -0.809) 15.870 8.732 ( 1.341 0.289 -0.127) 1.377 9.055 ( -26.301 -15.076 -0.740) 30.324 9.512 ( -5.636 -0.896 -0.056) 5.707 11.951 ( 2.069 3.449 -0.539) 4.058 12.267 ( 5.271 3.299 1.618) 6.425 14.168 ( 0.143 -0.395 0.509) 0.660 14.439 ( -3.481 -1.234 -0.112) 3.695 15.971 ( 9.217 3.385 -0.207) 9.821 16.154 ( -1.132 3.071 -8.733) 9.327 16.916 ( 9.510 7.623 2.427) 12.428 17.652 ( -15.413 -9.085 0.142) 17.891 18.232 ( -10.668 -0.862 9.925) 14.596 18.539 ( 18.891 12.251 -4.171) 22.898 19.773 ( -8.009 -3.751 -2.707) 9.249 20.725 ( 2.171 -4.340 -2.567) 5.490 20.917 ( -0.415 -2.465 -0.211) 2.508 21.439 ( -1.018 -3.815 0.783) 4.026 ======================= Grid point 634 (119/143) ======================= q-point: (-0.50 0.00 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.786 1.362 -6.057) 6.258 1.885 ( 0.263 -0.456 0.733) 0.902 2.039 ( 0.481 -0.833 0.799) 1.250 2.587 ( 0.364 -0.630 0.989) 1.228 4.048 ( 0.119 -0.206 -3.699) 3.706 4.431 ( 0.409 -0.708 1.510) 1.717 7.348 ( 2.974 -5.152 2.970) 6.649 7.446 ( 0.484 -0.838 -1.041) 1.422 7.467 ( -2.197 3.805 -2.500) 5.055 8.204 ( -0.075 0.130 -2.526) 2.531 8.711 ( 7.574 -13.118 1.315) 15.205 8.759 ( -8.170 14.151 -1.278) 16.390 9.454 ( -0.584 1.011 0.156) 1.178 11.985 ( -0.798 1.382 -0.891) 1.827 12.331 ( -0.476 0.824 1.936) 2.157 14.168 ( 0.480 -0.831 0.619) 1.142 14.401 ( -0.608 1.054 -0.263) 1.245 16.063 ( -0.266 0.461 -1.557) 1.646 16.153 ( -0.677 1.173 -8.934) 9.037 17.192 ( -1.461 2.531 5.031) 5.818 17.316 ( 0.370 -0.641 -1.844) 1.987 18.122 ( -1.760 3.048 7.322) 8.124 18.822 ( -0.612 1.059 0.766) 1.443 19.651 ( -0.399 0.691 -4.510) 4.580 20.722 ( 2.450 -4.244 -2.632) 5.563 20.899 ( 0.888 -1.538 -0.204) 1.788 21.411 ( 1.513 -2.620 0.810) 3.132 ======================= Grid point 642 (120/143) ======================= q-point: ( 0.08 0.08 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -1.122 -1.943 -4.884) 5.374 1.755 ( 2.094 3.627 4.099) 5.860 2.419 ( 8.007 13.868 4.292) 16.578 2.871 ( -1.712 -2.966 16.382) 16.737 3.170 ( -0.146 -0.253 -9.022) 9.027 3.659 ( 6.734 11.663 0.144) 13.469 5.870 ( -2.104 -3.645 0.674) 4.262 6.934 ( 2.008 3.478 -1.108) 4.167 7.041 ( 2.725 4.719 -0.925) 5.527 9.021 ( -4.032 -6.984 4.436) 9.204 9.321 ( -4.564 -7.905 -2.610) 9.494 9.831 ( -3.401 -5.891 0.674) 6.835 10.496 ( 9.355 16.203 -1.255) 18.752 11.374 ( -4.166 -7.216 -1.591) 8.483 11.704 ( 5.831 10.100 1.254) 11.730 14.228 ( -1.287 -2.229 -3.002) 3.954 14.512 ( 7.750 13.424 2.383) 15.683 14.962 ( -1.530 -2.649 2.597) 4.013 15.556 ( 13.062 22.624 -1.021) 26.144 16.798 ( 1.953 3.382 5.878) 7.057 16.868 ( 0.068 0.119 0.125) 0.186 18.150 ( -1.077 -1.866 0.876) 2.326 19.889 ( 1.703 2.949 -0.356) 3.424 20.321 ( -14.948 -25.891 -8.786) 31.161 20.794 ( -1.003 -1.737 4.398) 4.834 20.875 ( 0.334 0.578 -1.557) 1.694 21.727 ( -2.219 -3.843 2.591) 5.139 ======================= Grid point 643 (121/143) ======================= q-point: ( 0.17 0.08 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -2.871 2.075 -2.337) 4.244 1.808 ( 1.788 1.466 0.507) 2.367 2.656 ( -7.654 -1.331 12.408) 14.640 2.721 ( 1.986 6.604 1.760) 7.117 2.977 ( -3.415 -8.137 -7.193) 11.385 4.349 ( 35.011 32.110 2.767) 47.587 5.757 ( -6.346 -5.921 0.988) 8.735 7.037 ( 4.246 5.600 -1.027) 7.103 7.105 ( 2.486 0.148 0.917) 2.654 8.881 ( -5.177 -4.782 1.621) 7.232 9.139 ( -7.779 -7.041 -0.937) 10.534 9.680 ( -3.347 -13.451 0.872) 13.888 10.614 ( -14.881 10.998 -1.940) 18.606 11.335 ( 14.059 -12.416 -2.073) 18.871 11.928 ( 5.284 14.601 2.146) 15.675 14.169 ( -1.239 -4.871 -2.135) 5.461 14.744 ( -3.160 13.456 2.617) 14.067 15.009 ( 14.864 0.562 1.489) 14.948 15.977 ( 10.409 15.782 -1.434) 18.960 16.848 ( -2.011 0.614 -1.947) 2.865 17.023 ( 14.808 16.496 0.141) 22.168 18.092 ( -2.723 -3.707 1.452) 4.823 19.704 ( -25.352 -26.224 -10.439) 37.939 19.942 ( 1.233 1.607 -0.825) 2.187 20.753 ( -2.215 -0.766 5.422) 5.907 20.898 ( 2.758 -2.413 1.350) 3.905 21.634 ( -3.436 -5.096 3.271) 6.963 ======================= Grid point 644 (122/143) ======================= q-point: ( 0.25 0.08 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -4.216 3.989 -1.772) 6.069 1.859 ( 3.118 0.185 -0.664) 3.193 2.374 ( -11.228 -11.290 4.242) 16.478 2.738 ( -7.345 10.908 0.745) 13.171 3.150 ( 11.676 13.691 0.043) 17.994 5.274 ( 36.036 18.950 2.221) 40.776 5.540 ( -7.480 -3.082 0.598) 8.112 7.102 ( 3.318 -3.278 2.736) 5.407 7.230 ( 7.532 6.862 -1.172) 10.256 8.744 ( -5.304 -7.289 -2.045) 9.244 8.949 ( -9.867 0.987 1.129) 9.980 9.448 ( -3.277 -22.529 1.098) 22.793 10.301 ( -29.882 10.264 -2.920) 31.730 11.528 ( 20.428 -13.579 -2.251) 24.632 12.147 ( 3.243 14.792 1.882) 15.260 14.097 ( 0.615 -8.522 -0.804) 8.582 14.721 ( -9.355 10.424 0.953) 14.039 15.396 ( 21.495 6.756 1.554) 22.585 16.190 ( 1.368 10.643 -3.527) 11.296 16.813 ( -1.357 -0.831 -3.284) 3.649 17.600 ( 25.478 24.791 -1.966) 35.603 17.979 ( -5.241 -5.791 1.773) 8.010 19.012 ( -25.438 -23.768 -9.762) 36.157 19.944 ( -1.757 -1.147 -1.410) 2.528 20.713 ( -1.700 -0.464 5.333) 5.616 20.908 ( 1.660 -3.264 3.101) 4.798 21.520 ( -3.428 -5.692 3.771) 7.640 ======================= Grid point 645 (123/143) ======================= q-point: ( 0.33 0.08 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -3.757 5.205 -3.887) 7.504 1.902 ( 1.384 -0.327 -0.407) 1.479 2.118 ( -6.835 -7.857 2.491) 10.708 2.749 ( -7.827 16.437 1.907) 18.305 3.527 ( 14.395 18.041 -0.169) 23.081 5.088 ( -21.338 -10.841 0.981) 23.954 6.270 ( 43.894 17.459 0.602) 47.242 7.137 ( 6.657 -7.109 3.978) 10.520 7.437 ( 6.950 8.638 -1.939) 11.255 8.532 ( -7.822 -12.063 -1.926) 14.505 8.785 ( -11.144 -7.898 0.277) 13.662 9.185 ( -4.351 -8.666 0.463) 9.708 9.899 ( -28.319 11.573 -3.171) 30.756 11.711 ( 16.511 -13.882 -2.202) 21.684 12.322 ( 1.222 12.918 0.504) 12.985 14.028 ( 2.980 -11.339 0.171) 11.726 14.671 ( -10.031 13.413 -0.105) 16.749 15.788 ( 16.366 5.149 0.631) 17.169 16.272 ( -3.897 10.014 -8.553) 13.733 16.833 ( 5.491 1.306 -1.770) 5.915 17.782 ( -10.290 -8.406 1.353) 13.355 18.244 ( 17.775 16.104 4.072) 24.328 18.460 ( -10.023 -12.831 -11.967) 20.206 19.851 ( -5.946 -4.497 -2.559) 7.882 20.689 ( -0.727 -0.273 5.238) 5.295 20.893 ( 0.331 -2.874 3.237) 4.341 21.417 ( -1.932 -5.492 4.733) 7.503 ======================= Grid point 646 (124/143) ======================= q-point: ( 0.42 0.08 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -3.672 6.103 -6.351) 9.543 1.884 ( -1.299 -1.497 1.014) 2.227 2.014 ( 0.164 -3.156 2.287) 3.901 2.773 ( -10.073 18.930 1.880) 21.525 3.982 ( 15.833 19.764 -1.405) 25.363 4.588 ( -22.621 -10.845 1.163) 25.113 7.107 ( 33.585 8.034 0.832) 34.542 7.179 ( 9.573 -8.796 4.031) 13.610 7.579 ( -1.056 4.163 -2.058) 4.762 8.227 ( -11.650 -16.701 -1.612) 20.426 8.449 ( -2.235 -18.793 -0.426) 18.931 9.185 ( -8.257 22.052 -1.371) 23.587 9.607 ( -15.529 7.330 -2.306) 17.326 11.808 ( 11.363 -14.715 -2.115) 18.712 12.429 ( -2.300 9.957 -0.617) 10.238 13.984 ( 5.529 -12.081 0.571) 13.298 14.645 ( -9.925 15.871 -0.503) 18.726 16.030 ( 6.864 3.461 -1.819) 7.900 16.246 ( -6.578 4.965 -10.246) 13.149 17.060 ( 15.088 7.006 -0.540) 16.644 17.453 ( -15.895 -10.786 -0.280) 19.212 18.125 ( -2.141 -9.319 0.253) 9.565 18.784 ( 11.709 11.517 -2.349) 16.591 19.685 ( -5.700 -4.976 -4.523) 8.815 20.680 ( -0.112 -0.176 5.189) 5.194 20.873 ( 0.339 -1.896 2.810) 3.407 21.356 ( 0.674 -4.445 5.632) 7.207 ======================= Grid point 655 (125/143) ======================= q-point: ( 0.17 0.17 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 1.399 2.423 0.008) 2.798 1.805 ( -0.186 -0.322 -2.011) 2.045 2.415 ( -8.434 -14.608 4.382) 17.428 2.896 ( 1.607 2.783 0.489) 3.251 3.121 ( 12.608 21.837 0.451) 25.220 5.012 ( 20.213 35.010 2.747) 40.519 5.605 ( -5.705 -9.882 1.269) 11.481 7.059 ( -1.974 -3.419 3.235) 5.104 7.192 ( 5.434 9.411 -1.223) 10.936 8.758 ( -5.029 -8.711 -2.415) 10.344 9.057 ( -0.056 -0.098 1.421) 1.426 9.346 ( -11.606 -20.103 1.094) 23.239 10.792 ( 0.311 0.539 -3.035) 3.098 11.095 ( -3.371 -5.838 -2.668) 7.250 12.197 ( 7.113 12.320 1.971) 14.361 14.045 ( -4.066 -7.042 -1.138) 8.211 14.930 ( 1.254 2.171 0.308) 2.526 15.168 ( 10.443 18.087 2.739) 21.064 16.239 ( 6.455 11.181 -1.354) 12.981 16.819 ( -1.728 -2.993 -6.657) 7.501 17.503 ( 17.423 30.177 -3.056) 34.979 17.994 ( -3.625 -6.278 2.490) 7.665 19.110 ( -18.862 -32.670 -15.542) 40.800 19.953 ( -0.579 -1.003 -1.322) 1.758 20.747 ( -0.283 -0.490 10.211) 10.226 20.859 ( -0.711 -1.232 3.792) 4.050 21.521 ( -3.580 -6.200 4.741) 8.587 ======================= Grid point 656 (126/143) ======================= q-point: ( 0.25 0.17 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -3.435 4.441 -1.661) 5.855 1.848 ( 4.017 -0.804 -1.140) 4.252 2.150 ( -7.312 -10.796 2.939) 13.366 3.007 ( 0.296 15.387 2.247) 15.553 3.550 ( 9.851 25.212 0.266) 27.069 5.323 ( -15.608 -6.262 1.354) 16.872 5.747 ( 33.525 17.034 1.728) 37.644 6.998 ( 1.054 -6.161 4.421) 7.656 7.398 ( 7.228 9.655 -1.254) 12.126 8.551 ( -7.207 -10.828 -2.860) 13.318 8.867 ( -16.171 -23.938 0.868) 28.901 9.166 ( 4.943 7.555 0.320) 9.034 10.528 ( -29.890 11.479 -3.880) 32.253 11.206 ( 22.102 -18.620 -2.928) 29.048 12.408 ( 3.853 11.800 0.101) 12.414 13.912 ( -1.753 -9.375 -0.196) 9.539 14.948 ( -5.724 11.172 -0.057) 12.554 15.561 ( 16.938 10.648 1.119) 20.038 16.430 ( 0.909 13.435 -4.642) 14.243 16.756 ( 0.796 -4.867 -7.415) 8.905 17.843 ( -6.294 -7.766 3.097) 10.464 18.117 ( 19.566 26.064 -1.787) 32.640 18.493 ( -16.438 -27.259 -17.618) 36.383 19.889 ( -3.882 -4.750 -2.213) 6.521 20.729 ( -2.179 1.609 10.584) 10.925 20.848 ( 1.325 -2.609 5.983) 6.661 21.401 ( -3.054 -6.227 6.804) 9.716 ======================= Grid point 657 (127/143) ======================= q-point: ( 0.33 0.17 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -2.833 4.571 -3.701) 6.528 1.884 ( 0.474 -1.279 -0.368) 1.413 1.981 ( -1.946 -5.884 3.831) 7.286 3.163 ( -5.975 23.666 2.140) 24.502 3.964 ( 11.309 24.324 0.721) 26.834 4.917 ( -24.124 -5.463 0.693) 24.745 6.513 ( 40.370 8.076 1.162) 41.186 6.976 ( 4.507 -8.485 4.910) 10.790 7.592 ( 4.393 5.900 -1.008) 7.424 8.268 ( -15.121 -21.519 -0.829) 26.313 8.369 ( -7.550 -17.324 -1.732) 18.977 9.395 ( 5.169 20.179 -1.430) 20.880 10.119 ( -30.079 10.440 -3.978) 32.087 11.368 ( 18.917 -20.668 -2.936) 28.171 12.555 ( 0.201 10.685 -2.058) 10.883 13.814 ( 1.463 -9.788 0.196) 9.899 14.960 ( -7.941 14.875 -0.056) 16.862 15.908 ( 12.779 7.199 -1.530) 14.746 16.442 ( -9.602 5.260 -10.328) 15.051 16.871 ( 13.284 4.005 -4.042) 14.451 17.601 ( -13.137 -9.731 0.813) 16.369 18.030 ( -4.882 -20.366 -8.433) 22.577 18.687 ( 16.281 19.113 -5.327) 25.666 19.732 ( -6.748 -7.597 -3.512) 10.751 20.713 ( -1.946 2.229 10.445) 10.856 20.845 ( 0.903 -1.967 6.032) 6.409 21.307 ( -0.895 -5.459 9.206) 10.740 ======================= Grid point 658 (128/143) ======================= q-point: ( 0.42 0.17 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -2.586 4.478 -5.190) 7.326 1.861 ( 0.362 -0.626 2.135) 2.254 1.954 ( 1.810 -3.135 2.859) 4.613 3.232 ( -14.248 24.678 2.051) 28.570 4.387 ( 1.762 -3.052 3.230) 4.781 4.472 ( -13.065 22.629 -2.094) 26.213 6.975 ( 5.623 -9.739 5.063) 12.333 7.078 ( 8.698 -15.065 1.518) 17.461 7.539 ( 3.759 -6.511 0.728) 7.554 7.965 ( 2.773 -4.802 -3.419) 6.514 8.228 ( 3.289 -5.697 -1.623) 6.775 9.690 ( -13.846 23.981 -1.733) 27.745 9.763 ( -6.834 11.838 -4.339) 14.341 11.429 ( 13.496 -23.376 -2.870) 27.145 12.611 ( -4.739 8.208 -2.983) 9.936 13.777 ( 4.916 -8.515 0.273) 9.836 14.966 ( -9.118 15.793 0.003) 18.236 16.084 ( -0.631 1.092 -3.336) 3.567 16.342 ( -2.911 5.042 -10.605) 12.098 17.145 ( 1.644 -2.848 -6.147) 6.971 17.296 ( -0.080 0.138 0.350) 0.384 17.899 ( 7.417 -12.846 -5.218) 15.725 18.962 ( -3.680 6.373 -3.390) 8.103 19.597 ( 2.024 -3.506 -4.797) 6.277 20.707 ( -1.441 2.496 10.454) 10.844 20.842 ( 0.773 -1.339 5.588) 5.798 21.272 ( 2.253 -3.902 10.370) 11.306 ======================= Grid point 665 (129/143) ======================= q-point: (-0.08 0.17 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -0.457 0.791 9.833) 9.875 1.807 ( -0.343 0.595 -0.794) 1.050 2.511 ( -6.482 11.227 -4.250) 13.643 2.834 ( 1.378 -2.386 17.148) 17.368 3.209 ( -1.201 2.080 -9.945) 10.231 3.655 ( -6.830 11.830 0.487) 13.669 5.874 ( 1.987 -3.441 0.354) 3.990 6.936 ( -1.941 3.363 -1.256) 4.081 7.034 ( -2.971 5.146 -0.163) 5.944 9.016 ( 4.444 -7.697 4.645) 10.028 9.335 ( 4.099 -7.099 -3.656) 8.976 9.833 ( 3.133 -5.426 0.518) 6.287 10.504 ( -9.223 15.974 -2.069) 18.561 11.342 ( 4.732 -8.196 1.358) 9.561 11.730 ( -6.266 10.853 -1.262) 12.595 14.174 ( 1.573 -2.725 2.214) 3.848 14.571 ( -8.297 14.370 -3.244) 16.907 14.979 ( 1.418 -2.456 1.011) 3.010 15.546 ( -13.419 23.243 -0.111) 26.838 16.746 ( 1.803 -3.123 11.197) 11.763 16.866 ( -1.523 2.638 -0.100) 3.047 18.157 ( 0.776 -1.344 0.146) 1.559 19.884 ( -1.500 2.598 0.139) 3.003 20.185 ( 17.136 -29.681 3.708) 34.472 20.870 ( -0.910 1.576 -0.993) 2.073 20.938 ( -0.844 1.461 -8.893) 9.052 21.743 ( 1.658 -2.871 1.025) 3.470 ======================= Grid point 669 (130/143) ======================= q-point: ( 0.25 0.25 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.477 0.827 -4.483) 4.583 1.843 ( 0.825 1.428 1.489) 2.222 1.971 ( -4.109 -7.116 3.988) 9.134 3.331 ( 9.970 17.268 2.278) 20.069 4.014 ( 11.172 19.350 1.382) 22.386 5.166 ( -5.526 -9.571 0.450) 11.061 6.123 ( 13.279 22.999 1.502) 26.600 6.891 ( -2.589 -4.483 5.142) 7.297 7.579 ( 4.160 7.205 -0.675) 8.347 8.298 ( -17.257 -29.891 0.048) 34.515 8.346 ( -5.777 -10.006 -2.724) 11.871 9.449 ( 10.435 18.074 -1.705) 20.939 10.652 ( -3.962 -6.863 -5.506) 9.650 10.883 ( -3.720 -6.444 -2.145) 7.744 12.609 ( 4.952 8.577 -2.300) 10.167 13.752 ( -3.826 -6.627 0.052) 7.652 15.126 ( 3.902 6.759 0.379) 7.814 15.809 ( 8.077 13.990 -1.620) 16.235 16.614 ( -4.373 -7.575 -10.307) 13.518 16.718 ( 8.078 13.992 -5.523) 17.074 17.680 ( -5.163 -8.942 3.950) 11.055 17.951 ( -13.803 -23.908 -14.472) 31.170 18.638 ( 13.766 23.843 -6.261) 28.234 19.754 ( -5.200 -9.007 -3.308) 10.914 20.756 ( 0.447 0.774 11.979) 12.013 20.815 ( -0.376 -0.652 7.689) 7.726 21.287 ( -2.936 -5.085 10.456) 11.991 ======================= Grid point 670 (131/143) ======================= q-point: ( 0.33 0.25 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -1.768 2.475 -3.108) 4.348 1.858 ( -0.779 -1.072 1.764) 2.206 1.893 ( 1.451 -3.137 3.351) 4.814 3.626 ( -1.549 22.997 2.121) 23.146 4.252 ( 6.163 -0.469 2.789) 6.781 4.989 ( -15.451 14.060 -0.554) 20.898 6.652 ( 27.093 8.567 1.280) 28.445 6.830 ( 1.549 -5.880 5.518) 8.211 7.460 ( -12.055 -24.347 1.571) 27.214 7.947 ( -0.569 -0.444 -2.964) 3.051 8.174 ( -3.432 -7.510 -2.476) 8.621 9.837 ( 10.401 23.410 -4.072) 25.938 10.293 ( -29.043 7.213 -4.001) 30.192 10.923 ( 17.119 -24.124 -2.944) 29.727 12.730 ( -0.006 6.757 -3.875) 7.790 13.662 ( 0.374 -5.411 0.063) 5.424 15.213 ( -3.174 9.916 1.088) 10.468 16.068 ( 7.158 9.144 -4.995) 12.641 16.430 ( -6.913 -5.939 -10.232) 13.702 17.022 ( 11.665 10.625 -9.294) 18.313 17.429 ( -15.048 -6.867 -1.186) 16.583 17.650 ( 3.756 -17.600 -6.275) 19.058 19.036 ( 7.650 16.304 -5.069) 18.709 19.555 ( -5.008 -10.432 -4.510) 12.420 20.760 ( -1.427 2.279 11.601) 11.908 20.816 ( 0.976 -1.103 8.198) 8.329 21.215 ( -0.210 -3.700 13.540) 14.038 ======================= Grid point 676 (132/143) ======================= q-point: (-0.17 0.25 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -1.914 3.875 3.844) 5.784 1.798 ( 0.411 -0.830 1.420) 1.695 2.635 ( 8.656 -3.809 11.415) 14.824 2.763 ( -3.894 9.107 -0.173) 9.906 3.008 ( 6.166 -8.055 -9.084) 13.617 4.376 ( -35.234 34.075 0.087) 49.015 5.763 ( 6.442 -5.646 0.399) 8.576 7.037 ( -4.576 5.656 -1.036) 7.349 7.118 ( -2.879 1.656 -0.289) 3.334 8.851 ( 5.782 -7.037 3.941) 9.924 9.169 ( 7.800 -5.452 -3.259) 10.059 9.694 ( 2.950 -12.621 -0.477) 12.970 10.601 ( 16.171 9.796 -0.722) 18.920 11.291 ( -14.330 -13.575 2.092) 19.850 11.964 ( -5.171 14.879 -1.243) 15.801 14.123 ( -0.029 -5.107 2.259) 5.584 14.790 ( 5.725 12.754 -1.533) 14.064 15.040 ( -15.864 2.563 -1.482) 16.138 15.994 ( -10.527 17.816 -2.927) 20.900 16.695 ( -1.118 -5.174 11.929) 13.050 17.033 ( -11.919 13.754 -0.359) 18.203 18.110 ( 2.705 -2.621 -0.316) 3.780 19.528 ( 22.672 -32.544 5.828) 40.088 19.929 ( -1.220 0.896 0.542) 1.608 20.872 ( 3.375 3.781 -3.780) 6.323 20.972 ( -1.531 0.638 -7.459) 7.641 21.670 ( 3.373 -2.979 -0.165) 4.503 ======================= Grid point 682 (133/143) ======================= q-point: ( 0.33 0.33 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.000 0.000 5.331) 5.331 1.852 ( -0.611 -1.058 -1.166) 1.689 1.852 ( 0.611 1.058 -1.166) 1.689 4.036 ( -8.899 -15.413 2.464) 17.967 4.036 ( 8.899 15.413 2.464) 17.967 5.196 ( -0.000 -0.000 -0.007) 0.007 6.766 ( -0.000 -0.000 5.813) 5.813 6.946 ( -11.160 -19.330 1.181) 22.351 6.946 ( 11.160 19.330 1.181) 22.351 8.039 ( -3.226 -5.588 -2.684) 6.988 8.039 ( 3.226 5.588 -2.684) 6.988 10.162 ( 0.000 0.000 -8.953) 8.953 10.478 ( -8.766 -15.183 -1.555) 17.600 10.478 ( 8.766 15.183 -1.555) 17.600 12.800 ( -0.000 -0.000 -4.453) 4.453 13.608 ( -0.000 -0.000 -0.014) 0.014 15.315 ( -0.000 -0.000 1.984) 1.984 16.261 ( -5.036 -8.723 -8.527) 13.197 16.261 ( 5.036 8.723 -8.527) 13.197 17.194 ( -0.000 -0.000 -23.614) 23.614 17.386 ( -2.914 -5.047 2.840) 6.483 17.386 ( 2.914 5.047 2.840) 6.483 19.324 ( -6.583 -11.402 -5.107) 14.121 19.324 ( 6.583 11.402 -5.107) 14.121 20.795 ( -0.637 -1.104 10.144) 10.224 20.795 ( 0.637 1.104 10.144) 10.224 21.176 ( -0.000 -0.000 15.636) 15.636 ======================= Grid point 689 (134/143) ======================= q-point: (-0.25 0.33 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 3.901 3.620 -0.592) 5.355 1.826 ( -3.937 -0.235 2.627) 4.739 2.387 ( 10.584 -9.030 2.983) 14.229 2.769 ( 8.172 10.609 -2.019) 13.543 3.154 ( -11.841 13.573 -0.367) 18.016 5.322 ( -37.127 21.820 -2.306) 43.126 5.537 ( 9.720 -3.712 0.855) 10.439 7.154 ( -4.316 -0.927 -2.251) 4.955 7.216 ( -6.336 6.714 0.291) 9.236 8.689 ( 4.884 -8.254 2.955) 10.036 8.984 ( 10.453 0.529 -2.081) 10.671 9.476 ( 2.941 -22.151 -1.586) 22.402 10.258 ( 30.448 8.792 1.147) 31.713 11.477 ( -20.741 -14.566 2.575) 25.476 12.170 ( -2.467 13.575 -0.315) 13.801 14.074 ( -1.815 -8.184 1.399) 8.499 14.734 ( 10.156 9.488 -0.239) 13.901 15.442 ( -20.745 8.347 -2.574) 22.509 16.181 ( 1.965 9.521 -2.290) 9.988 16.688 ( -4.358 -5.538 8.009) 10.668 17.557 ( -25.529 21.927 2.107) 33.719 18.007 ( 5.781 -4.379 -0.823) 7.298 18.837 ( 20.858 -29.883 6.352) 36.992 19.925 ( 1.456 -2.256 0.646) 2.762 20.848 ( 4.055 4.729 -6.214) 8.798 20.986 ( 0.593 0.376 -5.339) 5.385 21.580 ( 3.947 -2.249 -1.876) 4.914 ======================= Grid point 690 (135/143) ======================= q-point: (-0.17 0.33 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -2.954 5.116 1.078) 6.005 1.757 ( 1.189 -2.059 2.387) 3.369 2.436 ( 7.234 -12.529 2.634) 14.706 2.931 ( -1.508 2.613 -2.711) 4.056 3.117 ( -11.962 20.719 0.821) 23.938 5.073 ( -20.935 36.261 -3.048) 41.981 5.615 ( 5.707 -9.884 0.404) 11.420 7.115 ( 0.820 -1.421 -1.957) 2.554 7.186 ( -5.316 9.207 -0.670) 10.652 8.696 ( 5.210 -9.024 3.365) 10.950 9.095 ( 0.805 -1.395 -2.077) 2.628 9.373 ( 11.320 -19.607 -1.530) 22.692 10.754 ( 0.682 -1.180 0.524) 1.460 11.031 ( 3.585 -6.210 3.414) 7.942 12.221 ( -6.274 10.866 -0.214) 12.549 14.013 ( 3.388 -5.867 1.895) 7.035 14.932 ( -0.814 1.410 0.229) 1.644 15.240 ( -10.243 17.741 -3.917) 20.856 16.281 ( -6.122 10.603 -5.167) 13.289 16.592 ( 2.737 -4.741 14.491) 15.490 17.446 ( -15.735 27.255 2.312) 31.556 18.034 ( 3.040 -5.265 -1.275) 6.212 18.864 ( 19.498 -33.772 7.746) 39.759 19.925 ( 1.039 -1.800 1.426) 2.521 20.922 ( -0.536 0.929 -2.651) 2.860 20.982 ( -0.466 0.806 -11.721) 11.758 21.602 ( 2.142 -3.709 -2.939) 5.194 ======================= Grid point 702 (136/143) ======================= q-point: (-0.33 0.42 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 3.882 3.918 -1.971) 5.857 1.883 ( -2.217 -0.062 1.613) 2.743 2.156 ( 7.199 -5.549 -0.939) 9.138 2.771 ( 8.347 16.879 -0.221) 18.831 3.538 ( -14.552 18.463 -1.178) 23.538 5.106 ( 21.770 -10.294 -0.589) 24.088 6.298 ( -43.054 19.020 -2.052) 47.113 7.213 ( -6.586 -5.476 -3.042) 9.089 7.408 ( -5.897 9.171 0.653) 10.922 8.503 ( 5.765 -11.802 0.898) 13.165 8.799 ( 11.806 -7.285 -1.018) 13.910 9.198 ( 5.586 -11.870 -0.826) 13.145 9.843 ( 27.669 10.504 2.166) 29.675 11.661 ( -17.493 -15.116 2.621) 23.267 12.314 ( -0.575 10.569 1.244) 10.658 14.025 ( -3.723 -11.049 0.453) 11.668 14.666 ( 10.490 12.756 0.438) 16.521 15.830 ( -15.401 5.217 -2.912) 16.519 16.195 ( 4.280 6.258 -1.507) 7.730 16.760 ( -9.134 -1.005 5.232) 10.574 17.804 ( 12.120 -8.280 -0.651) 14.693 18.138 ( -11.605 1.895 13.255) 17.719 18.368 ( -2.961 -5.071 -3.008) 6.598 19.826 ( 5.386 -5.870 0.057) 7.967 20.832 ( 3.638 5.446 -7.539) 9.986 20.963 ( 2.176 0.441 -4.053) 4.622 21.501 ( 3.339 -0.884 -3.269) 4.756 ======================= Grid point 703 (137/143) ======================= q-point: (-0.25 0.42 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 2.675 2.387 1.116) 3.755 1.838 ( -3.248 1.410 0.330) 3.557 2.206 ( 6.625 -8.668 -1.922) 11.078 3.042 ( 0.098 15.914 -1.003) 15.946 3.547 ( -11.028 25.066 0.554) 27.390 5.341 ( 15.296 -7.664 -0.247) 17.111 5.810 ( -32.441 19.577 -4.256) 38.129 7.085 ( -1.550 -4.848 -3.618) 6.245 7.387 ( -6.766 9.783 -0.183) 11.896 8.500 ( 6.318 -10.380 2.018) 12.318 8.896 ( 16.486 -23.311 -1.933) 28.616 9.165 ( -3.798 4.485 0.348) 5.887 10.460 ( 30.169 10.214 2.576) 31.955 11.140 ( -22.087 -19.108 3.343) 29.396 12.392 ( -2.550 9.201 1.697) 9.698 13.901 ( 1.121 -8.741 0.836) 8.853 14.940 ( 5.749 10.475 0.662) 11.968 15.613 ( -15.857 9.584 -3.663) 18.887 16.374 ( 7.235 8.478 2.922) 11.522 16.581 ( -9.083 -4.068 6.785) 12.045 17.895 ( 7.085 -6.692 -1.634) 9.882 17.983 ( -13.507 13.595 10.526) 21.865 18.300 ( 7.488 -16.923 0.788) 18.523 19.846 ( 3.931 -5.956 1.898) 7.385 20.924 ( 1.721 2.645 -5.719) 6.532 20.992 ( 0.478 0.543 -9.971) 9.997 21.533 ( 2.323 -2.399 -5.697) 6.604 ======================= Grid point 715 (138/143) ======================= q-point: (-0.42 0.50 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 3.467 4.743 -2.964) 6.581 1.893 ( 0.307 -0.261 0.416) 0.580 2.050 ( 1.457 -1.657 -1.282) 2.552 2.794 ( 10.478 19.583 -0.061) 22.210 3.994 ( -15.222 20.035 -2.519) 25.287 4.608 ( 22.637 -9.935 -0.631) 24.730 7.138 ( -34.623 10.351 -2.251) 36.207 7.261 ( -7.072 -7.963 -3.368) 11.170 7.545 ( 1.184 5.439 0.900) 5.638 8.227 ( 11.883 -16.715 -1.623) 20.573 8.454 ( 1.581 -20.425 -0.841) 20.504 9.149 ( 9.412 20.871 2.032) 22.985 9.561 ( 13.566 5.489 2.059) 14.779 11.763 ( -12.470 -16.282 2.264) 20.633 12.394 ( 1.745 7.402 2.583) 8.031 13.991 ( -5.836 -12.138 -0.084) 13.468 14.630 ( 10.037 15.614 0.904) 18.584 16.030 ( -4.676 1.033 -1.364) 4.979 16.180 ( 2.609 3.384 -4.766) 6.401 16.994 ( -15.770 2.544 7.018) 17.448 17.448 ( 15.304 -10.606 -0.019) 18.620 18.020 ( -1.266 -11.418 8.727) 14.427 18.745 ( -12.641 9.542 1.543) 15.913 19.657 ( 4.925 -6.470 -1.484) 8.266 20.829 ( 3.435 5.953 -8.471) 10.908 20.934 ( 1.707 1.030 -3.161) 3.738 21.455 ( 1.783 0.651 -3.950) 4.383 ======================= Grid point 716 (139/143) ======================= q-point: (-0.33 0.50 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 2.789 4.119 -0.328) 4.986 1.883 ( -1.265 -0.111 0.326) 1.311 2.060 ( 2.978 -4.172 -3.582) 6.253 3.195 ( 6.439 24.241 -0.872) 25.097 3.981 ( -11.893 24.830 -0.879) 27.545 4.934 ( 23.643 -6.231 -0.849) 24.465 6.570 ( -39.222 9.348 -4.292) 40.548 7.077 ( -4.498 -7.554 -4.513) 9.883 7.577 ( -4.132 7.212 0.279) 8.317 8.268 ( 12.001 -16.364 -0.537) 20.300 8.356 ( 10.627 -23.549 -0.743) 25.846 9.354 ( -4.633 17.873 2.465) 18.627 10.041 ( 29.611 9.516 3.318) 31.279 11.300 ( -19.257 -21.274 3.602) 28.921 12.493 ( 0.405 7.919 3.712) 8.755 13.814 ( -1.810 -9.725 0.134) 9.893 14.948 ( 8.145 14.920 1.124) 17.036 15.915 ( -10.908 3.925 -2.188) 11.798 16.290 ( 6.345 1.540 4.339) 7.840 16.769 ( -12.468 2.412 5.674) 13.909 17.595 ( 15.026 -12.007 1.398) 19.285 17.877 ( -0.137 -14.653 5.427) 15.626 18.620 ( -16.365 17.339 1.427) 23.885 19.679 ( 6.350 -9.115 1.654) 11.231 20.926 ( 1.657 3.700 -8.215) 9.161 20.976 ( 1.996 0.993 -7.986) 8.291 21.483 ( 1.577 -0.892 -7.607) 7.820 ======================= Grid point 717 (140/143) ======================= q-point: (-0.25 0.50 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -0.944 1.635 1.316) 2.301 1.864 ( -0.537 0.930 -0.541) 1.203 2.066 ( 3.158 -5.471 -4.478) 7.743 3.373 ( -10.034 17.380 -1.672) 20.138 4.025 ( -12.026 20.829 0.359) 24.054 5.163 ( 5.992 -10.379 0.731) 12.007 6.208 ( -13.187 22.841 -6.522) 27.169 6.996 ( 2.165 -3.749 -4.758) 6.433 7.573 ( -4.650 8.054 -0.180) 9.301 8.302 ( 5.559 -9.628 1.437) 11.210 8.324 ( 17.874 -30.959 -2.309) 35.823 9.399 ( -9.137 15.826 2.884) 18.500 10.551 ( 4.563 -7.904 3.967) 9.951 10.824 ( 3.509 -6.077 3.474) 7.830 12.540 ( -3.462 5.996 4.289) 8.144 13.750 ( 3.680 -6.374 0.261) 7.365 15.116 ( -4.079 7.066 1.283) 8.259 15.814 ( -6.022 10.430 -2.128) 12.231 16.370 ( 3.854 -6.675 12.666) 14.826 16.660 ( -5.645 9.777 0.004) 11.290 17.711 ( 10.907 -18.892 8.509) 23.416 17.755 ( 4.826 -8.359 -3.040) 10.120 18.561 ( -12.903 22.348 1.407) 25.844 19.689 ( 5.793 -10.033 2.820) 11.924 20.955 ( -0.583 1.009 -6.027) 6.138 21.004 ( -0.166 0.287 -11.400) 11.405 21.491 ( 0.986 -1.708 -9.047) 9.259 ======================= Grid point 727 (141/143) ======================= q-point: (-0.42 0.58 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 2.788 4.828 -0.921) 5.651 1.889 ( -0.230 -0.399 -0.232) 0.516 2.018 ( -0.888 -1.538 -3.453) 3.883 3.263 ( 14.553 25.207 -0.905) 29.121 4.429 ( -1.476 -2.556 -0.743) 3.044 4.471 ( 12.668 21.941 -1.975) 25.413 7.080 ( -5.163 -8.942 -4.782) 11.379 7.135 ( -8.201 -14.204 -4.047) 16.893 7.555 ( -2.173 -3.764 -0.758) 4.412 7.936 ( -3.593 -6.223 -0.829) 7.233 8.207 ( -3.834 -6.642 0.401) 7.679 9.641 ( 13.792 23.888 2.907) 27.736 9.677 ( 5.457 9.452 3.793) 11.554 11.361 ( -13.922 -24.113 3.645) 28.081 12.530 ( 3.607 6.247 4.630) 8.572 13.781 ( -5.037 -8.724 -0.077) 10.074 14.952 ( 9.313 16.131 1.303) 18.672 16.034 ( -0.542 -0.938 1.237) 1.645 16.233 ( 0.802 1.390 -0.239) 1.622 16.951 ( -3.922 -6.794 12.143) 14.457 17.341 ( 0.625 1.083 -3.525) 3.740 17.808 ( -5.809 -10.062 3.512) 12.138 18.889 ( 2.888 5.002 3.500) 6.753 19.540 ( -2.884 -4.996 0.833) 5.829 20.935 ( 2.525 4.374 -10.874) 11.989 20.958 ( 0.782 1.354 -5.482) 5.701 21.464 ( 0.187 0.325 -8.257) 8.266 ======================= Grid point 729 (142/143) ======================= q-point: (-0.33 0.58 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 1.212 3.423 0.247) 3.640 1.873 ( -0.657 -1.082 -0.058) 1.267 1.996 ( 0.614 -2.256 -5.624) 6.090 3.667 ( 1.835 23.287 -1.774) 23.427 4.293 ( -6.839 0.527 -1.071) 6.943 4.974 ( 15.071 12.673 0.840) 19.710 6.724 ( -26.315 8.744 -5.567) 28.283 6.945 ( -1.482 -5.324 -5.341) 7.685 7.505 ( 11.537 -22.367 -2.689) 25.311 7.915 ( 1.801 -1.954 -0.029) 2.657 8.138 ( 2.923 -7.540 0.930) 8.140 9.742 ( -9.123 19.890 4.677) 22.377 10.209 ( 26.968 7.897 3.965) 28.379 10.853 ( -16.430 -23.539 3.743) 28.949 12.623 ( 0.258 4.981 6.255) 8.000 13.662 ( -0.456 -5.472 0.033) 5.491 15.210 ( 3.383 10.733 1.351) 11.334 15.991 ( -5.271 4.127 2.164) 7.036 16.234 ( 2.994 -6.401 8.433) 11.002 16.837 ( -5.531 3.358 6.625) 9.261 17.423 ( 8.025 -3.656 -1.231) 8.904 17.634 ( -1.933 -10.662 -1.652) 10.961 18.945 ( -7.754 15.584 3.497) 17.754 19.475 ( 4.871 -11.581 3.043) 12.927 20.975 ( -0.218 1.626 -7.608) 7.783 20.998 ( 1.314 0.790 -10.426) 10.538 21.469 ( 0.403 -0.490 -10.960) 10.978 ======================= Grid point 742 (143/143) ======================= q-point: (-0.33 -0.33 0.44) 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 0.00e+00 0.00e+00 1.94e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -1.233 -2.135 0.178) 2.472 1.837 ( 1.233 2.135 0.178) 2.472 1.974 ( 0.000 0.000 -6.548) 6.548 4.080 ( -8.964 -15.526 -1.794) 18.017 4.080 ( 8.964 15.526 -1.794) 18.017 5.172 ( 0.000 0.000 2.193) 2.193 6.888 ( -0.000 -0.000 -5.719) 5.719 7.009 ( -10.789 -18.687 -4.819) 22.109 7.009 ( 10.789 18.687 -4.819) 22.109 8.002 ( -3.244 -5.619 0.754) 6.532 8.002 ( 3.244 5.619 0.754) 6.532 9.991 ( 0.000 0.000 7.085) 7.085 10.428 ( -8.729 -15.119 3.181) 17.745 10.428 ( 8.729 15.119 3.181) 17.745 12.674 ( 0.000 0.000 7.379) 7.379 13.608 ( 0.000 0.000 0.032) 0.032 15.323 ( 0.000 0.000 1.200) 1.200 16.094 ( -3.316 -5.743 7.062) 9.688 16.094 ( 3.316 5.743 7.062) 9.688 16.871 ( 0.000 0.000 7.606) 7.606 17.460 ( -3.221 -5.579 -3.763) 7.460 17.460 ( 3.221 5.579 -3.763) 7.460 19.229 ( -6.731 -11.658 3.793) 13.986 19.229 ( 6.731 11.658 3.793) 13.986 20.998 ( -0.356 -0.617 -9.235) 9.263 20.998 ( 0.356 0.617 -9.235) 9.263 21.464 ( 0.000 0.000 -12.234) 12.234 =================== 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 3/34992 10.0 919.537 919.537 591.785 0.000 0.000 -0.000 3/34992 20.0 135.393 135.393 92.766 0.000 0.000 -0.000 3/34992 30.0 68.430 68.430 43.629 0.000 0.000 -0.000 3/34992 40.0 51.194 51.194 28.444 0.000 0.000 -0.000 3/34992 50.0 43.089 43.089 21.106 0.000 0.000 -0.000 3/34992 60.0 38.130 38.130 16.803 0.000 0.000 -0.000 3/34992 70.0 34.635 34.635 13.982 0.000 0.000 -0.000 3/34992 80.0 31.899 31.899 11.990 0.000 0.000 -0.000 3/34992 90.0 29.587 29.587 10.506 0.000 0.000 -0.000 3/34992 100.0 27.541 27.541 9.356 0.000 0.000 -0.000 3/34992 110.0 25.694 25.694 8.436 0.000 0.000 -0.000 3/34992 120.0 24.013 24.013 7.685 0.000 0.000 -0.000 3/34992 130.0 22.482 22.482 7.060 0.000 0.000 -0.000 3/34992 140.0 21.091 21.091 6.532 0.000 0.000 -0.000 3/34992 150.0 19.829 19.829 6.081 0.000 0.000 -0.000 3/34992 160.0 18.685 18.685 5.692 0.000 0.000 -0.000 3/34992 170.0 17.647 17.647 5.352 0.000 0.000 -0.000 3/34992 180.0 16.706 16.706 5.053 0.000 0.000 -0.000 3/34992 190.0 15.851 15.851 4.788 0.000 0.000 -0.000 3/34992 200.0 15.072 15.072 4.551 0.000 0.000 -0.000 3/34992 210.0 14.362 14.362 4.338 0.000 0.000 -0.000 3/34992 220.0 13.712 13.712 4.146 0.000 0.000 -0.000 3/34992 230.0 13.117 13.117 3.971 0.000 0.000 -0.000 3/34992 240.0 12.569 12.569 3.812 0.000 0.000 -0.000 3/34992 250.0 12.064 12.064 3.665 0.000 0.000 -0.000 3/34992 260.0 11.597 11.597 3.530 0.000 0.000 -0.000 3/34992 270.0 11.165 11.165 3.405 0.000 0.000 -0.000 3/34992 280.0 10.763 10.763 3.290 0.000 0.000 -0.000 3/34992 290.0 10.389 10.389 3.182 0.000 0.000 -0.000 3/34992 300.0 10.040 10.040 3.081 0.000 0.000 -0.000 3/34992 310.0 9.714 9.714 2.987 0.000 0.000 -0.000 3/34992 320.0 9.408 9.408 2.898 0.000 0.000 -0.000 3/34992 330.0 9.121 9.121 2.815 0.000 0.000 -0.000 3/34992 340.0 8.850 8.850 2.737 0.000 0.000 -0.000 3/34992 350.0 8.596 8.596 2.663 0.000 0.000 -0.000 3/34992 360.0 8.355 8.355 2.593 0.000 0.000 -0.000 3/34992 370.0 8.128 8.128 2.526 0.000 0.000 -0.000 3/34992 380.0 7.913 7.913 2.463 0.000 0.000 -0.000 3/34992 390.0 7.709 7.709 2.403 0.000 0.000 -0.000 3/34992 400.0 7.515 7.515 2.346 0.000 0.000 -0.000 3/34992 410.0 7.331 7.331 2.292 0.000 0.000 -0.000 3/34992 420.0 7.155 7.155 2.240 0.000 0.000 -0.000 3/34992 430.0 6.988 6.988 2.190 0.000 0.000 -0.000 3/34992 440.0 6.829 6.829 2.143 0.000 0.000 -0.000 3/34992 450.0 6.676 6.676 2.097 0.000 0.000 -0.000 3/34992 460.0 6.531 6.531 2.054 0.000 0.000 -0.000 3/34992 470.0 6.391 6.391 2.012 0.000 0.000 -0.000 3/34992 480.0 6.258 6.258 1.972 0.000 0.000 -0.000 3/34992 490.0 6.130 6.130 1.933 0.000 0.000 -0.000 3/34992 500.0 6.007 6.007 1.896 0.000 0.000 -0.000 3/34992 510.0 5.889 5.889 1.861 0.000 0.000 -0.000 3/34992 520.0 5.775 5.775 1.826 0.000 0.000 -0.000 3/34992 530.0 5.666 5.666 1.793 0.000 0.000 -0.000 3/34992 540.0 5.561 5.561 1.761 0.000 0.000 -0.000 3/34992 550.0 5.459 5.459 1.730 0.000 0.000 -0.000 3/34992 560.0 5.362 5.362 1.701 0.000 0.000 -0.000 3/34992 570.0 5.267 5.267 1.672 0.000 0.000 -0.000 3/34992 580.0 5.176 5.176 1.644 0.000 0.000 -0.000 3/34992 590.0 5.089 5.089 1.617 0.000 0.000 -0.000 3/34992 600.0 5.004 5.004 1.591 0.000 0.000 -0.000 3/34992 610.0 4.921 4.921 1.566 0.000 0.000 -0.000 3/34992 620.0 4.842 4.842 1.541 0.000 0.000 -0.000 3/34992 630.0 4.765 4.765 1.518 0.000 0.000 -0.000 3/34992 640.0 4.691 4.691 1.495 0.000 0.000 -0.000 3/34992 650.0 4.618 4.618 1.472 0.000 0.000 -0.000 3/34992 660.0 4.548 4.548 1.451 0.000 0.000 -0.000 3/34992 670.0 4.480 4.480 1.430 0.000 0.000 -0.000 3/34992 680.0 4.414 4.414 1.409 0.000 0.000 -0.000 3/34992 690.0 4.350 4.350 1.389 0.000 0.000 -0.000 3/34992 700.0 4.288 4.288 1.370 0.000 0.000 -0.000 3/34992 710.0 4.228 4.228 1.351 0.000 0.000 -0.000 3/34992 720.0 4.169 4.169 1.333 0.000 0.000 -0.000 3/34992 730.0 4.112 4.112 1.315 0.000 0.000 -0.000 3/34992 740.0 4.056 4.056 1.298 0.000 0.000 -0.000 3/34992 750.0 4.002 4.002 1.281 0.000 0.000 -0.000 3/34992 760.0 3.949 3.949 1.264 0.000 0.000 -0.000 3/34992 770.0 3.898 3.898 1.248 0.000 0.000 -0.000 3/34992 780.0 3.848 3.848 1.233 0.000 0.000 -0.000 3/34992 790.0 3.799 3.799 1.218 0.000 0.000 -0.000 3/34992 800.0 3.752 3.752 1.203 0.000 0.000 -0.000 3/34992 810.0 3.706 3.706 1.188 0.000 0.000 -0.000 3/34992 820.0 3.660 3.660 1.174 0.000 0.000 -0.000 3/34992 830.0 3.616 3.616 1.160 0.000 0.000 -0.000 3/34992 840.0 3.573 3.573 1.147 0.000 0.000 -0.000 3/34992 850.0 3.531 3.531 1.133 0.000 0.000 -0.000 3/34992 860.0 3.490 3.490 1.120 0.000 0.000 -0.000 3/34992 870.0 3.450 3.450 1.108 0.000 0.000 -0.000 3/34992 880.0 3.411 3.411 1.095 0.000 0.000 -0.000 3/34992 890.0 3.372 3.372 1.083 0.000 0.000 -0.000 3/34992 900.0 3.335 3.335 1.072 0.000 0.000 -0.000 3/34992 910.0 3.298 3.298 1.060 0.000 0.000 -0.000 3/34992 920.0 3.262 3.262 1.049 0.000 0.000 -0.000 3/34992 930.0 3.227 3.227 1.038 0.000 0.000 -0.000 3/34992 940.0 3.193 3.193 1.027 0.000 0.000 -0.000 3/34992 950.0 3.159 3.159 1.016 0.000 0.000 -0.000 3/34992 960.0 3.126 3.126 1.006 0.000 0.000 -0.000 3/34992 970.0 3.094 3.094 0.995 0.000 0.000 -0.000 3/34992 980.0 3.063 3.063 0.985 0.000 0.000 -0.000 3/34992 990.0 3.032 3.032 0.976 0.000 0.000 -0.000 3/34992 1000.0 3.001 3.001 0.966 0.000 0.000 -0.000 3/34992 Thermal conductivity related properties were written into "kappa-m12129.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:51:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|