----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:32:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.225706530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.225706530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.757973150000000 Atomic positions (fractional): *1 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 2 B 0.00000000000000 0.00000000000000 0.00000000000000 10.811 *3 H 0.50000000000000 0.73840780369708 0.37773119328138 1.008 4 H 0.76159219630292 0.00000000000000 0.87773119328138 1.008 5 H 0.00000000000000 0.76159219630292 0.12226880671862 1.008 6 H 0.00000000000000 0.23840780369708 0.12226880671862 1.008 7 H 0.23840780369708 0.00000000000000 0.87773119328138 1.008 8 H 0.26159219630292 0.50000000000000 0.62226880671862 1.008 9 H 0.50000000000000 0.26159219630292 0.37773119328138 1.008 10 H 0.73840780369708 0.50000000000000 0.62226880671862 1.008 *11 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 12 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.225706530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.225706530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.757973150000000 Atomic positions (fractional): *1 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 1 2 B 0.00000000000000 0.00000000000000 0.00000000000000 10.811 > 2 *3 H 0.50000000000000 0.73840780369708 0.37773119328138 1.008 > 3 4 H 0.76159219630292 0.00000000000000 0.87773119328138 1.008 > 4 5 H 0.00000000000000 0.76159219630292 0.12226880671862 1.008 > 5 6 H 0.00000000000000 0.23840780369708 0.12226880671862 1.008 > 6 7 H 0.23840780369708 0.00000000000000 0.87773119328138 1.008 > 7 8 H 0.26159219630292 0.50000000000000 0.62226880671862 1.008 > 8 9 H 0.50000000000000 0.26159219630292 0.37773119328138 1.008 > 9 10 H 0.73840780369708 0.50000000000000 0.62226880671862 1.008 > 10 *11 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 11 12 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.451413060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.451413060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.515946300000000 Atomic positions (fractional): *1 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 > 1 2 B 0.75000000000000 0.25000000000000 0.25000000000000 10.811 > 1 3 B 0.25000000000000 0.75000000000000 0.25000000000000 10.811 > 1 4 B 0.75000000000000 0.75000000000000 0.25000000000000 10.811 > 1 5 B 0.25000000000000 0.25000000000000 0.75000000000000 10.811 > 1 6 B 0.75000000000000 0.25000000000000 0.75000000000000 10.811 > 1 7 B 0.25000000000000 0.75000000000000 0.75000000000000 10.811 > 1 8 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 > 1 9 B 0.00000000000000 0.00000000000000 0.00000000000000 10.811 > 2 10 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 2 11 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 2 12 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 > 2 13 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 2 14 B 0.50000000000000 0.00000000000000 0.50000000000000 10.811 > 2 15 B 0.00000000000000 0.50000000000000 0.50000000000000 10.811 > 2 16 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 2 *17 H 0.25000000000000 0.36920390184854 0.18886559664069 1.008 > 3 18 H 0.75000000000000 0.36920390184854 0.18886559664069 1.008 > 3 19 H 0.25000000000000 0.86920390184854 0.18886559664069 1.008 > 3 20 H 0.75000000000000 0.86920390184854 0.18886559664069 1.008 > 3 21 H 0.25000000000000 0.36920390184854 0.68886559664069 1.008 > 3 22 H 0.75000000000000 0.36920390184854 0.68886559664069 1.008 > 3 23 H 0.25000000000000 0.86920390184854 0.68886559664069 1.008 > 3 24 H 0.75000000000000 0.86920390184854 0.68886559664069 1.008 > 3 25 H 0.38079609815146 0.00000000000000 0.43886559664069 1.008 > 4 26 H 0.88079609815146 0.00000000000000 0.43886559664069 1.008 > 4 27 H 0.38079609815146 0.50000000000000 0.43886559664069 1.008 > 4 28 H 0.88079609815146 0.50000000000000 0.43886559664069 1.008 > 4 29 H 0.38079609815146 0.00000000000000 0.93886559664069 1.008 > 4 30 H 0.88079609815146 0.00000000000000 0.93886559664069 1.008 > 4 31 H 0.38079609815146 0.50000000000000 0.93886559664069 1.008 > 4 32 H 0.88079609815146 0.50000000000000 0.93886559664069 1.008 > 4 33 H 0.00000000000000 0.38079609815146 0.06113440335931 1.008 > 5 34 H 0.50000000000000 0.38079609815146 0.06113440335931 1.008 > 5 35 H 0.00000000000000 0.88079609815146 0.06113440335931 1.008 > 5 36 H 0.50000000000000 0.88079609815146 0.06113440335931 1.008 > 5 37 H 0.00000000000000 0.38079609815146 0.56113440335931 1.008 > 5 38 H 0.50000000000000 0.38079609815146 0.56113440335931 1.008 > 5 39 H 0.00000000000000 0.88079609815146 0.56113440335931 1.008 > 5 40 H 0.50000000000000 0.88079609815146 0.56113440335931 1.008 > 5 41 H 0.00000000000000 0.11920390184854 0.06113440335931 1.008 > 6 42 H 0.50000000000000 0.11920390184854 0.06113440335931 1.008 > 6 43 H 0.00000000000000 0.61920390184854 0.06113440335931 1.008 > 6 44 H 0.50000000000000 0.61920390184854 0.06113440335931 1.008 > 6 45 H 0.00000000000000 0.11920390184854 0.56113440335931 1.008 > 6 46 H 0.50000000000000 0.11920390184854 0.56113440335931 1.008 > 6 47 H 0.00000000000000 0.61920390184854 0.56113440335931 1.008 > 6 48 H 0.50000000000000 0.61920390184854 0.56113440335931 1.008 > 6 49 H 0.11920390184854 0.00000000000000 0.43886559664069 1.008 > 7 50 H 0.61920390184854 0.00000000000000 0.43886559664069 1.008 > 7 51 H 0.11920390184854 0.50000000000000 0.43886559664069 1.008 > 7 52 H 0.61920390184854 0.50000000000000 0.43886559664069 1.008 > 7 53 H 0.11920390184854 0.00000000000000 0.93886559664069 1.008 > 7 54 H 0.61920390184854 0.00000000000000 0.93886559664069 1.008 > 7 55 H 0.11920390184854 0.50000000000000 0.93886559664069 1.008 > 7 56 H 0.61920390184854 0.50000000000000 0.93886559664069 1.008 > 7 57 H 0.13079609815146 0.25000000000000 0.31113440335931 1.008 > 8 58 H 0.63079609815146 0.25000000000000 0.31113440335931 1.008 > 8 59 H 0.13079609815146 0.75000000000000 0.31113440335931 1.008 > 8 60 H 0.63079609815146 0.75000000000000 0.31113440335931 1.008 > 8 61 H 0.13079609815146 0.25000000000000 0.81113440335931 1.008 > 8 62 H 0.63079609815146 0.25000000000000 0.81113440335931 1.008 > 8 63 H 0.13079609815146 0.75000000000000 0.81113440335931 1.008 > 8 64 H 0.63079609815146 0.75000000000000 0.81113440335931 1.008 > 8 65 H 0.25000000000000 0.13079609815146 0.18886559664069 1.008 > 9 66 H 0.75000000000000 0.13079609815146 0.18886559664069 1.008 > 9 67 H 0.25000000000000 0.63079609815146 0.18886559664069 1.008 > 9 68 H 0.75000000000000 0.63079609815146 0.18886559664069 1.008 > 9 69 H 0.25000000000000 0.13079609815146 0.68886559664069 1.008 > 9 70 H 0.75000000000000 0.13079609815146 0.68886559664069 1.008 > 9 71 H 0.25000000000000 0.63079609815146 0.68886559664069 1.008 > 9 72 H 0.75000000000000 0.63079609815146 0.68886559664069 1.008 > 9 73 H 0.36920390184854 0.25000000000000 0.31113440335931 1.008 > 10 74 H 0.86920390184854 0.25000000000000 0.31113440335931 1.008 > 10 75 H 0.36920390184854 0.75000000000000 0.31113440335931 1.008 > 10 76 H 0.86920390184854 0.75000000000000 0.31113440335931 1.008 > 10 77 H 0.36920390184854 0.25000000000000 0.81113440335931 1.008 > 10 78 H 0.86920390184854 0.25000000000000 0.81113440335931 1.008 > 10 79 H 0.36920390184854 0.75000000000000 0.81113440335931 1.008 > 10 80 H 0.86920390184854 0.75000000000000 0.81113440335931 1.008 > 10 *81 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 11 82 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 11 83 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 11 84 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 11 85 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 11 86 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 11 87 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 11 88 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 11 89 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 12 90 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 12 91 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 12 92 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 12 93 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 12 94 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 12 95 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 12 96 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7241671 0.0000000 0.0000000 0.0000000 2.7241671 0.0000000 0.0000000 0.0000000 2.6389797 -------------------------- Born effective charges -------------------------- 1 B 0.0740591 0.0000000 0.0000000 0.0000000 0.0740591 0.0000000 0.0000000 0.0000000 0.0522605 2 B 0.0740591 0.0000000 0.0000000 0.0000000 0.0740591 0.0000000 0.0000000 0.0000000 0.0522605 3 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 0.1989885 0.0000000 0.1772078 -0.2892316 4 H -0.4215157 0.0000000 -0.1989885 0.0000000 -0.1633002 0.0000000 -0.1772078 0.0000000 -0.2892316 5 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 0.1989885 0.0000000 0.1772078 -0.2892316 6 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 -0.1989885 0.0000000 -0.1772078 -0.2892316 7 H -0.4215157 0.0000000 0.1989885 0.0000000 -0.1633002 0.0000000 0.1772078 0.0000000 -0.2892316 8 H -0.4215157 0.0000000 0.1989885 0.0000000 -0.1633002 0.0000000 0.1772078 0.0000000 -0.2892316 9 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 -0.1989885 0.0000000 -0.1772078 -0.2892316 10 H -0.4215157 0.0000000 -0.1989885 0.0000000 -0.1633002 0.0000000 -0.1772078 0.0000000 -0.2892316 11 Na 1.0955726 0.0000000 0.0000000 0.0000000 1.0955726 0.0000000 0.0000000 0.0000000 1.1046659 12 Na 1.0955726 0.0000000 0.0000000 0.0000000 1.0955726 0.0000000 0.0000000 0.0000000 1.1046659 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 398 Number of blocks in projector: 406 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (398, 389), data: False |-- (48, 48), data: True |-- (76, 73), data: True |-- (136, 134), data: True |-- (138, 134), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.200 Solver_block: 160 / 160 - Time: 0.134 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.340 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 398 Number of blocks in projector: 406 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 76 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (398, 389), data: False |-- (48, 48), data: True |-- (76, 73), data: True |-- (136, 134), data: True |-- (138, 134), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 09:32:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:32:09]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.225706530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.225706530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.757973150000000 Atomic positions (fractional): 1 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 2 B 0.00000000000000 0.00000000000000 0.00000000000000 10.811 3 H 0.50000000000000 0.73840780369708 0.37773119328138 1.008 4 H 0.76159219630292 0.00000000000000 0.87773119328138 1.008 5 H 0.00000000000000 0.76159219630292 0.12226880671862 1.008 6 H 0.00000000000000 0.23840780369708 0.12226880671862 1.008 7 H 0.23840780369708 0.00000000000000 0.87773119328138 1.008 8 H 0.26159219630292 0.50000000000000 0.62226880671862 1.008 9 H 0.50000000000000 0.26159219630292 0.37773119328138 1.008 10 H 0.73840780369708 0.50000000000000 0.62226880671862 1.008 11 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 12 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.451413060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.451413060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.515946300000000 Atomic positions (fractional): 1 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 > 1 2 B 0.75000000000000 0.25000000000000 0.25000000000000 10.811 > 1 3 B 0.25000000000000 0.75000000000000 0.25000000000000 10.811 > 1 4 B 0.75000000000000 0.75000000000000 0.25000000000000 10.811 > 1 5 B 0.25000000000000 0.25000000000000 0.75000000000000 10.811 > 1 6 B 0.75000000000000 0.25000000000000 0.75000000000000 10.811 > 1 7 B 0.25000000000000 0.75000000000000 0.75000000000000 10.811 > 1 8 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 > 1 9 B 0.00000000000000 0.00000000000000 0.00000000000000 10.811 > 9 10 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 9 11 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 9 12 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 > 9 13 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 9 14 B 0.50000000000000 0.00000000000000 0.50000000000000 10.811 > 9 15 B 0.00000000000000 0.50000000000000 0.50000000000000 10.811 > 9 16 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 9 17 H 0.25000000000000 0.36920390184854 0.18886559664069 1.008 > 17 18 H 0.75000000000000 0.36920390184854 0.18886559664069 1.008 > 17 19 H 0.25000000000000 0.86920390184854 0.18886559664069 1.008 > 17 20 H 0.75000000000000 0.86920390184854 0.18886559664069 1.008 > 17 21 H 0.25000000000000 0.36920390184854 0.68886559664069 1.008 > 17 22 H 0.75000000000000 0.36920390184854 0.68886559664069 1.008 > 17 23 H 0.25000000000000 0.86920390184854 0.68886559664069 1.008 > 17 24 H 0.75000000000000 0.86920390184854 0.68886559664069 1.008 > 17 25 H 0.38079609815146 0.00000000000000 0.43886559664069 1.008 > 25 26 H 0.88079609815146 0.00000000000000 0.43886559664069 1.008 > 25 27 H 0.38079609815146 0.50000000000000 0.43886559664069 1.008 > 25 28 H 0.88079609815146 0.50000000000000 0.43886559664069 1.008 > 25 29 H 0.38079609815146 0.00000000000000 0.93886559664069 1.008 > 25 30 H 0.88079609815146 0.00000000000000 0.93886559664069 1.008 > 25 31 H 0.38079609815146 0.50000000000000 0.93886559664069 1.008 > 25 32 H 0.88079609815146 0.50000000000000 0.93886559664069 1.008 > 25 33 H 0.00000000000000 0.38079609815146 0.06113440335931 1.008 > 33 34 H 0.50000000000000 0.38079609815146 0.06113440335931 1.008 > 33 35 H 0.00000000000000 0.88079609815146 0.06113440335931 1.008 > 33 36 H 0.50000000000000 0.88079609815146 0.06113440335931 1.008 > 33 37 H 0.00000000000000 0.38079609815146 0.56113440335931 1.008 > 33 38 H 0.50000000000000 0.38079609815146 0.56113440335931 1.008 > 33 39 H 0.00000000000000 0.88079609815146 0.56113440335931 1.008 > 33 40 H 0.50000000000000 0.88079609815146 0.56113440335931 1.008 > 33 41 H 0.00000000000000 0.11920390184854 0.06113440335931 1.008 > 41 42 H 0.50000000000000 0.11920390184854 0.06113440335931 1.008 > 41 43 H 0.00000000000000 0.61920390184854 0.06113440335931 1.008 > 41 44 H 0.50000000000000 0.61920390184854 0.06113440335931 1.008 > 41 45 H 0.00000000000000 0.11920390184854 0.56113440335931 1.008 > 41 46 H 0.50000000000000 0.11920390184854 0.56113440335931 1.008 > 41 47 H 0.00000000000000 0.61920390184854 0.56113440335931 1.008 > 41 48 H 0.50000000000000 0.61920390184854 0.56113440335931 1.008 > 41 49 H 0.11920390184854 0.00000000000000 0.43886559664069 1.008 > 49 50 H 0.61920390184854 0.00000000000000 0.43886559664069 1.008 > 49 51 H 0.11920390184854 0.50000000000000 0.43886559664069 1.008 > 49 52 H 0.61920390184854 0.50000000000000 0.43886559664069 1.008 > 49 53 H 0.11920390184854 0.00000000000000 0.93886559664069 1.008 > 49 54 H 0.61920390184854 0.00000000000000 0.93886559664069 1.008 > 49 55 H 0.11920390184854 0.50000000000000 0.93886559664069 1.008 > 49 56 H 0.61920390184854 0.50000000000000 0.93886559664069 1.008 > 49 57 H 0.13079609815146 0.25000000000000 0.31113440335931 1.008 > 57 58 H 0.63079609815146 0.25000000000000 0.31113440335931 1.008 > 57 59 H 0.13079609815146 0.75000000000000 0.31113440335931 1.008 > 57 60 H 0.63079609815146 0.75000000000000 0.31113440335931 1.008 > 57 61 H 0.13079609815146 0.25000000000000 0.81113440335931 1.008 > 57 62 H 0.63079609815146 0.25000000000000 0.81113440335931 1.008 > 57 63 H 0.13079609815146 0.75000000000000 0.81113440335931 1.008 > 57 64 H 0.63079609815146 0.75000000000000 0.81113440335931 1.008 > 57 65 H 0.25000000000000 0.13079609815146 0.18886559664069 1.008 > 65 66 H 0.75000000000000 0.13079609815146 0.18886559664069 1.008 > 65 67 H 0.25000000000000 0.63079609815146 0.18886559664069 1.008 > 65 68 H 0.75000000000000 0.63079609815146 0.18886559664069 1.008 > 65 69 H 0.25000000000000 0.13079609815146 0.68886559664069 1.008 > 65 70 H 0.75000000000000 0.13079609815146 0.68886559664069 1.008 > 65 71 H 0.25000000000000 0.63079609815146 0.68886559664069 1.008 > 65 72 H 0.75000000000000 0.63079609815146 0.68886559664069 1.008 > 65 73 H 0.36920390184854 0.25000000000000 0.31113440335931 1.008 > 73 74 H 0.86920390184854 0.25000000000000 0.31113440335931 1.008 > 73 75 H 0.36920390184854 0.75000000000000 0.31113440335931 1.008 > 73 76 H 0.86920390184854 0.75000000000000 0.31113440335931 1.008 > 73 77 H 0.36920390184854 0.25000000000000 0.81113440335931 1.008 > 73 78 H 0.86920390184854 0.25000000000000 0.81113440335931 1.008 > 73 79 H 0.36920390184854 0.75000000000000 0.81113440335931 1.008 > 73 80 H 0.86920390184854 0.75000000000000 0.81113440335931 1.008 > 73 81 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 81 82 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 81 83 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 81 84 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 81 85 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 81 86 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 81 87 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 81 88 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 81 89 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 89 90 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 89 91 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 89 92 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 89 93 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 89 94 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 89 95 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 89 96 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7241671 0.0000000 0.0000000 0.0000000 2.7241671 0.0000000 0.0000000 0.0000000 2.6389797 -------------------------- Born effective charges -------------------------- 1 B 0.0740591 0.0000000 0.0000000 0.0000000 0.0740591 0.0000000 0.0000000 0.0000000 0.0522605 2 B 0.0740591 0.0000000 0.0000000 0.0000000 0.0740591 0.0000000 0.0000000 0.0000000 0.0522605 3 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 0.1989885 0.0000000 0.1772078 -0.2892316 4 H -0.4215157 0.0000000 -0.1989885 0.0000000 -0.1633002 0.0000000 -0.1772078 0.0000000 -0.2892316 5 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 0.1989885 0.0000000 0.1772078 -0.2892316 6 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 -0.1989885 0.0000000 -0.1772078 -0.2892316 7 H -0.4215157 0.0000000 0.1989885 0.0000000 -0.1633002 0.0000000 0.1772078 0.0000000 -0.2892316 8 H -0.4215157 0.0000000 0.1989885 0.0000000 -0.1633002 0.0000000 0.1772078 0.0000000 -0.2892316 9 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 -0.1989885 0.0000000 -0.1772078 -0.2892316 10 H -0.4215157 0.0000000 -0.1989885 0.0000000 -0.1633002 0.0000000 -0.1772078 0.0000000 -0.2892316 11 Na 1.0955726 0.0000000 0.0000000 0.0000000 1.0955726 0.0000000 0.0000000 0.0000000 1.1046659 12 Na 1.0955726 0.0000000 0.0000000 0.0000000 1.0955726 0.0000000 0.0000000 0.0000000 1.1046659 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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: -0.00000030 (xxz) -0.00000030 (xxz) -0.00000030 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (zx) -0.00000004 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:32:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:32:14]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.225706530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.225706530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.757973150000000 Atomic positions (fractional): 1 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 2 B 0.00000000000000 0.00000000000000 0.00000000000000 10.811 3 H 0.50000000000000 0.73840780369708 0.37773119328138 1.008 4 H 0.76159219630292 0.00000000000000 0.87773119328138 1.008 5 H 0.00000000000000 0.76159219630292 0.12226880671862 1.008 6 H 0.00000000000000 0.23840780369708 0.12226880671862 1.008 7 H 0.23840780369708 0.00000000000000 0.87773119328138 1.008 8 H 0.26159219630292 0.50000000000000 0.62226880671862 1.008 9 H 0.50000000000000 0.26159219630292 0.37773119328138 1.008 10 H 0.73840780369708 0.50000000000000 0.62226880671862 1.008 11 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 12 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.451413060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.451413060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.515946300000000 Atomic positions (fractional): 1 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 > 1 2 B 0.75000000000000 0.25000000000000 0.25000000000000 10.811 > 1 3 B 0.25000000000000 0.75000000000000 0.25000000000000 10.811 > 1 4 B 0.75000000000000 0.75000000000000 0.25000000000000 10.811 > 1 5 B 0.25000000000000 0.25000000000000 0.75000000000000 10.811 > 1 6 B 0.75000000000000 0.25000000000000 0.75000000000000 10.811 > 1 7 B 0.25000000000000 0.75000000000000 0.75000000000000 10.811 > 1 8 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 > 1 9 B 0.00000000000000 0.00000000000000 0.00000000000000 10.811 > 9 10 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 9 11 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 9 12 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 > 9 13 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 9 14 B 0.50000000000000 0.00000000000000 0.50000000000000 10.811 > 9 15 B 0.00000000000000 0.50000000000000 0.50000000000000 10.811 > 9 16 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 9 17 H 0.25000000000000 0.36920390184854 0.18886559664069 1.008 > 17 18 H 0.75000000000000 0.36920390184854 0.18886559664069 1.008 > 17 19 H 0.25000000000000 0.86920390184854 0.18886559664069 1.008 > 17 20 H 0.75000000000000 0.86920390184854 0.18886559664069 1.008 > 17 21 H 0.25000000000000 0.36920390184854 0.68886559664069 1.008 > 17 22 H 0.75000000000000 0.36920390184854 0.68886559664069 1.008 > 17 23 H 0.25000000000000 0.86920390184854 0.68886559664069 1.008 > 17 24 H 0.75000000000000 0.86920390184854 0.68886559664069 1.008 > 17 25 H 0.38079609815146 0.00000000000000 0.43886559664069 1.008 > 25 26 H 0.88079609815146 0.00000000000000 0.43886559664069 1.008 > 25 27 H 0.38079609815146 0.50000000000000 0.43886559664069 1.008 > 25 28 H 0.88079609815146 0.50000000000000 0.43886559664069 1.008 > 25 29 H 0.38079609815146 0.00000000000000 0.93886559664069 1.008 > 25 30 H 0.88079609815146 0.00000000000000 0.93886559664069 1.008 > 25 31 H 0.38079609815146 0.50000000000000 0.93886559664069 1.008 > 25 32 H 0.88079609815146 0.50000000000000 0.93886559664069 1.008 > 25 33 H 0.00000000000000 0.38079609815146 0.06113440335931 1.008 > 33 34 H 0.50000000000000 0.38079609815146 0.06113440335931 1.008 > 33 35 H 0.00000000000000 0.88079609815146 0.06113440335931 1.008 > 33 36 H 0.50000000000000 0.88079609815146 0.06113440335931 1.008 > 33 37 H 0.00000000000000 0.38079609815146 0.56113440335931 1.008 > 33 38 H 0.50000000000000 0.38079609815146 0.56113440335931 1.008 > 33 39 H 0.00000000000000 0.88079609815146 0.56113440335931 1.008 > 33 40 H 0.50000000000000 0.88079609815146 0.56113440335931 1.008 > 33 41 H 0.00000000000000 0.11920390184854 0.06113440335931 1.008 > 41 42 H 0.50000000000000 0.11920390184854 0.06113440335931 1.008 > 41 43 H 0.00000000000000 0.61920390184854 0.06113440335931 1.008 > 41 44 H 0.50000000000000 0.61920390184854 0.06113440335931 1.008 > 41 45 H 0.00000000000000 0.11920390184854 0.56113440335931 1.008 > 41 46 H 0.50000000000000 0.11920390184854 0.56113440335931 1.008 > 41 47 H 0.00000000000000 0.61920390184854 0.56113440335931 1.008 > 41 48 H 0.50000000000000 0.61920390184854 0.56113440335931 1.008 > 41 49 H 0.11920390184854 0.00000000000000 0.43886559664069 1.008 > 49 50 H 0.61920390184854 0.00000000000000 0.43886559664069 1.008 > 49 51 H 0.11920390184854 0.50000000000000 0.43886559664069 1.008 > 49 52 H 0.61920390184854 0.50000000000000 0.43886559664069 1.008 > 49 53 H 0.11920390184854 0.00000000000000 0.93886559664069 1.008 > 49 54 H 0.61920390184854 0.00000000000000 0.93886559664069 1.008 > 49 55 H 0.11920390184854 0.50000000000000 0.93886559664069 1.008 > 49 56 H 0.61920390184854 0.50000000000000 0.93886559664069 1.008 > 49 57 H 0.13079609815146 0.25000000000000 0.31113440335931 1.008 > 57 58 H 0.63079609815146 0.25000000000000 0.31113440335931 1.008 > 57 59 H 0.13079609815146 0.75000000000000 0.31113440335931 1.008 > 57 60 H 0.63079609815146 0.75000000000000 0.31113440335931 1.008 > 57 61 H 0.13079609815146 0.25000000000000 0.81113440335931 1.008 > 57 62 H 0.63079609815146 0.25000000000000 0.81113440335931 1.008 > 57 63 H 0.13079609815146 0.75000000000000 0.81113440335931 1.008 > 57 64 H 0.63079609815146 0.75000000000000 0.81113440335931 1.008 > 57 65 H 0.25000000000000 0.13079609815146 0.18886559664069 1.008 > 65 66 H 0.75000000000000 0.13079609815146 0.18886559664069 1.008 > 65 67 H 0.25000000000000 0.63079609815146 0.18886559664069 1.008 > 65 68 H 0.75000000000000 0.63079609815146 0.18886559664069 1.008 > 65 69 H 0.25000000000000 0.13079609815146 0.68886559664069 1.008 > 65 70 H 0.75000000000000 0.13079609815146 0.68886559664069 1.008 > 65 71 H 0.25000000000000 0.63079609815146 0.68886559664069 1.008 > 65 72 H 0.75000000000000 0.63079609815146 0.68886559664069 1.008 > 65 73 H 0.36920390184854 0.25000000000000 0.31113440335931 1.008 > 73 74 H 0.86920390184854 0.25000000000000 0.31113440335931 1.008 > 73 75 H 0.36920390184854 0.75000000000000 0.31113440335931 1.008 > 73 76 H 0.86920390184854 0.75000000000000 0.31113440335931 1.008 > 73 77 H 0.36920390184854 0.25000000000000 0.81113440335931 1.008 > 73 78 H 0.86920390184854 0.25000000000000 0.81113440335931 1.008 > 73 79 H 0.36920390184854 0.75000000000000 0.81113440335931 1.008 > 73 80 H 0.86920390184854 0.75000000000000 0.81113440335931 1.008 > 73 81 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 81 82 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 81 83 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 81 84 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 81 85 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 81 86 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 81 87 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 81 88 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 81 89 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 89 90 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 89 91 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 89 92 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 89 93 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 89 94 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 89 95 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 89 96 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7241671 0.0000000 0.0000000 0.0000000 2.7241671 0.0000000 0.0000000 0.0000000 2.6389797 -------------------------- Born effective charges -------------------------- 1 B 0.0740591 0.0000000 0.0000000 0.0000000 0.0740591 0.0000000 0.0000000 0.0000000 0.0522605 2 B 0.0740591 0.0000000 0.0000000 0.0000000 0.0740591 0.0000000 0.0000000 0.0000000 0.0522605 3 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 0.1989885 0.0000000 0.1772078 -0.2892316 4 H -0.4215157 0.0000000 -0.1989885 0.0000000 -0.1633002 0.0000000 -0.1772078 0.0000000 -0.2892316 5 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 0.1989885 0.0000000 0.1772078 -0.2892316 6 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 -0.1989885 0.0000000 -0.1772078 -0.2892316 7 H -0.4215157 0.0000000 0.1989885 0.0000000 -0.1633002 0.0000000 0.1772078 0.0000000 -0.2892316 8 H -0.4215157 0.0000000 0.1989885 0.0000000 -0.1633002 0.0000000 0.1772078 0.0000000 -0.2892316 9 H -0.1633002 0.0000000 0.0000000 0.0000000 -0.4215157 -0.1989885 0.0000000 -0.1772078 -0.2892316 10 H -0.4215157 0.0000000 -0.1989885 0.0000000 -0.1633002 0.0000000 -0.1772078 0.0000000 -0.2892316 11 Na 1.0955726 0.0000000 0.0000000 0.0000000 1.0955726 0.0000000 0.0000000 0.0000000 1.1046659 12 Na 1.0955726 0.0000000 0.0000000 0.0000000 1.0955726 0.0000000 0.0000000 0.0000000 1.1046659 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000030 (xxz) -0.00000030 (xxz) -0.00000030 (xzx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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: 0.89, Number of G-points: 311, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 140 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 3.246 ( -0.000 0.000 -0.000) 0.000 3.246 ( 0.000 0.000 -0.000) 0.000 4.699 ( 0.000 0.000 -0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 -0.000 0.000) 0.000 5.387 ( 0.000 -0.000 0.000) 0.000 5.387 ( 0.000 -0.000 -0.000) 0.000 6.861 ( 0.000 -0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 11.751 ( 0.000 -0.000 -0.000) 0.000 11.751 ( 0.000 0.000 0.000) 0.000 12.413 ( 0.000 -0.000 0.000) 0.000 32.160 ( -0.000 0.000 0.000) 0.000 32.160 ( 0.000 0.000 0.000) 0.000 32.553 ( 0.000 -0.000 0.000) 0.000 32.553 ( -0.000 0.000 -0.000) 0.000 32.942 ( 0.000 0.000 0.000) 0.000 33.046 ( 0.000 0.000 -0.000) 0.000 36.519 ( 0.000 0.000 0.000) 0.000 36.916 ( 0.000 0.000 0.000) 0.000 37.312 ( 0.000 0.000 0.000) 0.000 37.331 ( 0.000 0.000 0.000) 0.000 69.675 ( -0.000 0.000 0.000) 0.000 69.707 ( 0.000 0.000 0.000) 0.000 70.920 ( -0.000 0.000 0.000) 0.000 70.920 ( 0.000 0.000 -0.000) 0.000 71.571 ( 0.000 0.000 0.000) 0.000 71.747 ( 0.000 0.000 0.000) 0.000 71.747 ( 0.000 0.000 0.000) 0.000 72.531 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 29.288 0.000 0.000) 29.288 0.604 ( 31.128 0.000 0.000) 31.128 1.226 ( 60.058 0.000 0.000) 60.058 3.242 ( -0.434 0.000 0.000) 0.434 3.363 ( 11.301 0.000 0.000) 11.301 4.652 ( -4.688 0.000 0.000) 4.688 5.163 ( -2.144 0.000 0.000) 2.144 5.322 ( -6.035 0.000 0.000) 6.035 5.700 ( 29.360 0.000 0.000) 29.360 6.873 ( 1.464 0.000 0.000) 1.464 7.461 ( 16.202 0.000 0.000) 16.202 8.072 ( -5.318 0.000 0.000) 5.318 8.324 ( -0.503 0.000 0.000) 0.503 9.147 ( 2.947 0.000 0.000) 2.947 9.370 ( 23.627 0.000 0.000) 23.627 11.694 ( -5.756 0.000 0.000) 5.756 11.777 ( 2.829 0.000 0.000) 2.829 12.358 ( -5.628 0.000 0.000) 5.628 32.164 ( 0.372 0.000 0.000) 0.372 32.335 ( -0.126 0.000 0.000) 0.126 32.543 ( -1.000 0.000 0.000) 1.000 32.545 ( -0.803 0.000 0.000) 0.803 32.925 ( -1.638 0.000 0.000) 1.638 33.027 ( -1.940 0.000 0.000) 1.940 36.529 ( 0.973 0.000 0.000) 0.973 36.912 ( -0.425 0.000 0.000) 0.425 37.306 ( -0.593 0.000 0.000) 0.593 37.323 ( -0.810 0.000 0.000) 0.810 69.663 ( -1.230 0.000 0.000) 1.230 69.689 ( -1.834 0.000 0.000) 1.834 70.934 ( 1.364 0.000 0.000) 1.364 71.556 ( -1.089 0.000 0.000) 1.089 71.733 ( -1.477 0.000 0.000) 1.477 71.758 ( 0.522 0.000 0.000) 0.522 71.794 ( 4.253 0.000 0.000) 4.253 72.529 ( -0.165 0.000 0.000) 0.165 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 27.811 0.000 0.000) 27.811 1.224 ( 31.422 0.000 0.000) 31.422 2.337 ( 52.087 0.000 0.000) 52.087 3.227 ( -1.090 0.000 0.000) 1.090 3.659 ( 17.797 0.000 0.000) 17.797 4.520 ( -8.519 0.000 0.000) 8.519 5.103 ( -3.852 0.000 0.000) 3.852 5.178 ( -7.929 0.000 0.000) 7.929 6.369 ( 31.543 0.000 0.000) 31.543 6.963 ( 10.837 0.000 0.000) 10.837 7.894 ( 26.730 0.000 0.000) 26.730 7.923 ( -9.636 0.000 0.000) 9.636 8.307 ( -1.209 0.000 0.000) 1.209 9.235 ( 6.022 0.000 0.000) 6.022 10.012 ( 39.755 0.000 0.000) 39.755 11.528 ( -10.919 0.000 0.000) 10.919 11.874 ( 7.313 0.000 0.000) 7.313 12.191 ( -11.239 0.000 0.000) 11.239 32.175 ( 0.777 0.000 0.000) 0.777 32.332 ( -0.148 0.000 0.000) 0.148 32.515 ( -1.862 0.000 0.000) 1.862 32.523 ( -1.472 0.000 0.000) 1.472 32.880 ( -2.928 0.000 0.000) 2.928 32.972 ( -3.516 0.000 0.000) 3.516 36.557 ( 1.813 0.000 0.000) 1.813 36.899 ( -0.868 0.000 0.000) 0.868 37.290 ( -1.047 0.000 0.000) 1.047 37.301 ( -1.374 0.000 0.000) 1.374 69.629 ( -2.120 0.000 0.000) 2.120 69.640 ( -2.935 0.000 0.000) 2.935 70.974 ( 2.647 0.000 0.000) 2.647 71.541 ( -0.310 0.000 0.000) 0.310 71.690 ( -2.842 0.000 0.000) 2.842 71.768 ( 0.372 0.000 0.000) 0.372 71.899 ( 6.132 0.000 0.000) 6.132 72.524 ( -0.332 0.000 0.000) 0.332 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 25.276 0.000 0.000) 25.276 1.832 ( 29.998 0.000 0.000) 29.998 3.195 ( -2.281 0.000 0.000) 2.281 3.266 ( 41.937 0.000 0.000) 41.937 4.032 ( 19.256 0.000 0.000) 19.256 4.320 ( -11.665 0.000 0.000) 11.665 5.017 ( -4.736 0.000 0.000) 4.736 5.026 ( -7.140 0.000 0.000) 7.140 6.706 ( 6.139 0.000 0.000) 6.139 7.414 ( 29.073 0.000 0.000) 29.073 7.703 ( -12.344 0.000 0.000) 12.344 8.278 ( -1.637 0.000 0.000) 1.637 8.482 ( 32.189 0.000 0.000) 32.189 9.385 ( 9.248 0.000 0.000) 9.248 10.861 ( 44.389 0.000 0.000) 44.389 11.270 ( -14.944 0.000 0.000) 14.944 11.915 ( -16.757 0.000 0.000) 16.757 12.075 ( 12.981 0.000 0.000) 12.981 32.194 ( 1.230 0.000 0.000) 1.230 32.331 ( 0.015 0.000 0.000) 0.015 32.472 ( -2.479 0.000 0.000) 2.479 32.489 ( -1.909 0.000 0.000) 1.909 32.815 ( -3.490 0.000 0.000) 3.490 32.893 ( -4.362 0.000 0.000) 4.362 36.599 ( 2.418 0.000 0.000) 2.418 36.878 ( -1.333 0.000 0.000) 1.333 37.266 ( -1.244 0.000 0.000) 1.244 37.272 ( -1.535 0.000 0.000) 1.535 69.580 ( -3.034 0.000 0.000) 3.034 69.583 ( -2.458 0.000 0.000) 2.458 71.037 ( 3.768 0.000 0.000) 3.768 71.546 ( 0.810 0.000 0.000) 0.810 71.622 ( -3.994 0.000 0.000) 3.994 71.768 ( -0.475 0.000 0.000) 0.475 72.028 ( 6.801 0.000 0.000) 6.801 72.515 ( -0.686 0.000 0.000) 0.686 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 21.682 0.000 0.000) 21.682 2.399 ( 27.453 0.000 0.000) 27.453 3.131 ( -4.426 0.000 0.000) 4.426 3.979 ( 27.599 0.000 0.000) 27.599 4.066 ( -11.650 0.000 0.000) 11.650 4.387 ( 16.023 0.000 0.000) 16.023 4.904 ( -5.139 0.000 0.000) 5.139 4.923 ( -4.507 0.000 0.000) 4.507 6.784 ( 3.315 0.000 0.000) 3.315 7.448 ( -13.107 0.000 0.000) 13.107 7.893 ( 17.956 0.000 0.000) 17.956 8.247 ( -1.446 0.000 0.000) 1.446 9.139 ( 33.961 0.000 0.000) 33.961 9.600 ( 12.443 0.000 0.000) 12.443 10.949 ( -17.333 0.000 0.000) 17.333 11.532 ( -21.989 0.000 0.000) 21.989 11.690 ( 38.060 0.000 0.000) 38.060 12.361 ( 14.855 0.000 0.000) 14.855 32.224 ( 1.719 0.000 0.000) 1.719 32.335 ( 0.403 0.000 0.000) 0.403 32.419 ( -2.797 0.000 0.000) 2.797 32.449 ( -2.081 0.000 0.000) 2.081 32.749 ( -2.991 0.000 0.000) 2.991 32.807 ( -4.176 0.000 0.000) 4.176 36.650 ( 2.740 0.000 0.000) 2.740 36.847 ( -1.807 0.000 0.000) 1.807 37.243 ( -1.121 0.000 0.000) 1.121 37.243 ( -1.270 0.000 0.000) 1.270 69.526 ( -2.305 0.000 0.000) 2.305 69.536 ( -2.195 0.000 0.000) 2.195 71.121 ( 4.655 0.000 0.000) 4.655 71.534 ( -4.851 0.000 0.000) 4.851 71.571 ( 1.753 0.000 0.000) 1.753 71.748 ( -1.517 0.000 0.000) 1.517 72.161 ( 6.605 0.000 0.000) 6.605 72.494 ( -1.490 0.000 0.000) 1.490 ======================= Grid point 5 (6/140) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 17.210 0.000 0.000) 17.210 2.911 ( 24.339 0.000 0.000) 24.339 3.012 ( -7.838 0.000 0.000) 7.838 3.740 ( -17.726 0.000 0.000) 17.726 4.465 ( 17.732 0.000 0.000) 17.732 4.633 ( 8.095 0.000 0.000) 8.095 4.829 ( -2.422 0.000 0.000) 2.422 4.847 ( -3.049 0.000 0.000) 3.049 6.864 ( 5.173 0.000 0.000) 5.173 7.200 ( -11.726 0.000 0.000) 11.726 8.127 ( 6.782 0.000 0.000) 6.782 8.224 ( -0.937 0.000 0.000) 0.937 9.798 ( 31.993 0.000 0.000) 31.993 9.872 ( 14.991 0.000 0.000) 14.991 10.604 ( -16.904 0.000 0.000) 16.904 11.053 ( -26.413 0.000 0.000) 26.413 12.311 ( 24.033 0.000 0.000) 24.033 12.600 ( 7.799 0.000 0.000) 7.799 32.262 ( 2.197 0.000 0.000) 2.197 32.348 ( 0.974 0.000 0.000) 0.974 32.363 ( -2.818 0.000 0.000) 2.818 32.409 ( -1.976 0.000 0.000) 1.976 32.704 ( -1.393 0.000 0.000) 1.393 32.736 ( -2.894 0.000 0.000) 2.894 36.705 ( 2.785 0.000 0.000) 2.785 36.807 ( -2.248 0.000 0.000) 2.248 37.224 ( -0.687 0.000 0.000) 0.687 37.224 ( -0.686 0.000 0.000) 0.686 69.492 ( -1.099 0.000 0.000) 1.099 69.500 ( -1.403 0.000 0.000) 1.403 71.219 ( 5.245 0.000 0.000) 5.245 71.433 ( -5.357 0.000 0.000) 5.357 71.613 ( 2.363 0.000 0.000) 2.363 71.710 ( -2.276 0.000 0.000) 2.276 72.284 ( 5.699 0.000 0.000) 5.699 72.453 ( -2.784 0.000 0.000) 2.784 ======================= Grid point 6 (7/140) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -12.339 0.000 0.000) 12.339 2.815 ( 12.339 0.000 0.000) 12.339 3.358 ( -21.017 0.000 0.000) 21.017 3.358 ( 21.017 0.000 0.000) 21.017 4.679 ( -3.983 0.000 0.000) 3.983 4.679 ( 3.983 0.000 0.000) 3.983 4.810 ( -0.546 0.000 0.000) 0.546 4.810 ( 0.546 0.000 0.000) 0.546 6.998 ( -8.569 0.000 0.000) 8.569 6.998 ( 8.569 0.000 0.000) 8.569 8.202 ( -1.731 0.000 0.000) 1.731 8.202 ( 1.731 0.000 0.000) 1.731 10.156 ( -9.389 0.000 0.000) 9.389 10.156 ( 9.389 0.000 0.000) 9.389 10.526 ( -22.655 0.000 0.000) 22.655 10.526 ( 22.655 0.000 0.000) 22.655 12.617 ( -6.920 0.000 0.000) 6.920 12.617 ( 6.920 0.000 0.000) 6.920 32.310 ( -2.592 0.000 0.000) 2.592 32.310 ( 2.592 0.000 0.000) 2.592 32.373 ( -1.573 0.000 0.000) 1.573 32.373 ( 1.573 0.000 0.000) 1.573 32.698 ( -0.823 0.000 0.000) 0.823 32.698 ( 0.823 0.000 0.000) 0.823 36.759 ( -2.598 0.000 0.000) 2.598 36.759 ( 2.598 0.000 0.000) 2.598 37.217 ( -0.031 0.000 0.000) 0.031 37.217 ( 0.031 0.000 0.000) 0.031 69.483 ( -0.232 0.000 0.000) 0.232 69.483 ( 0.232 0.000 0.000) 0.232 71.325 ( -5.488 0.000 0.000) 5.488 71.325 ( 5.488 0.000 0.000) 5.488 71.662 ( -2.558 0.000 0.000) 2.558 71.662 ( 2.558 0.000 0.000) 2.558 72.383 ( -4.313 0.000 0.000) 4.313 72.383 ( 4.313 0.000 0.000) 4.313 ======================= Grid point 14 (8/140) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 20.588 20.588 0.000) 29.115 1.048 ( 24.747 24.747 0.000) 34.997 1.591 ( 38.901 38.901 0.000) 55.015 3.337 ( 4.380 4.380 0.000) 6.194 3.368 ( 5.267 5.267 0.000) 7.448 4.602 ( -4.778 -4.778 0.000) 6.757 5.263 ( 3.595 3.595 0.000) 5.084 5.601 ( 10.651 10.651 0.000) 15.063 5.681 ( 13.806 13.806 0.000) 19.525 6.838 ( -2.185 -2.185 0.000) 3.090 7.656 ( 18.039 18.039 0.000) 25.511 8.048 ( -3.946 -3.946 0.000) 5.580 8.234 ( -4.814 -4.814 0.000) 6.809 9.303 ( 9.282 9.282 0.000) 13.126 9.459 ( 16.146 16.146 0.000) 22.834 11.633 ( -5.602 -5.602 0.000) 7.922 11.811 ( 3.094 3.094 0.000) 4.375 12.306 ( -5.234 -5.234 0.000) 7.402 32.171 ( 0.573 0.573 0.000) 0.811 32.325 ( -0.560 -0.560 0.000) 0.791 32.526 ( -1.328 -1.328 0.000) 1.877 32.545 ( -0.428 -0.428 0.000) 0.605 32.909 ( -1.668 -1.668 0.000) 2.359 33.007 ( -1.952 -1.952 0.000) 2.761 36.539 ( 0.944 0.944 0.000) 1.334 36.912 ( -0.260 -0.260 0.000) 0.368 37.300 ( -0.567 -0.567 0.000) 0.802 37.315 ( -0.799 -0.799 0.000) 1.130 69.650 ( -1.226 -1.226 0.000) 1.734 69.671 ( -1.771 -1.771 0.000) 2.504 70.926 ( 0.341 0.341 0.000) 0.482 71.538 ( -1.395 -1.395 0.000) 1.972 71.764 ( 0.807 0.807 0.000) 1.142 71.798 ( 2.257 2.257 0.000) 3.192 71.801 ( 2.336 2.336 0.000) 3.303 72.511 ( -1.013 -1.013 0.000) 1.432 ======================= Grid point 15 (9/140) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 26.983 9.604 0.000) 28.641 1.473 ( 20.984 24.744 0.000) 32.444 2.496 ( 46.959 17.156 0.000) 49.995 3.322 ( -1.920 9.185 0.000) 9.383 3.634 ( 16.873 -2.396 0.000) 17.042 4.470 ( -8.433 -4.795 0.000) 9.701 5.259 ( -2.941 11.513 0.000) 11.882 5.501 ( -7.551 30.300 0.000) 31.226 6.345 ( 34.220 -2.546 0.000) 34.315 6.845 ( 5.910 -9.274 0.000) 10.997 7.894 ( -10.739 -2.216 0.000) 10.965 8.110 ( 26.947 19.398 0.000) 33.202 8.182 ( -1.671 -11.012 0.000) 11.138 9.433 ( 6.647 18.335 0.000) 19.503 10.049 ( 38.949 4.975 0.000) 39.265 11.481 ( -9.698 -4.333 0.000) 10.622 11.907 ( 7.048 3.198 0.000) 7.739 12.151 ( -10.466 -4.077 0.000) 11.232 32.184 ( 0.749 0.842 0.000) 1.127 32.318 ( -0.206 -1.201 0.000) 1.218 32.493 ( -2.015 -1.631 0.000) 2.593 32.528 ( -1.230 0.012 0.000) 1.230 32.862 ( -2.979 -1.750 0.000) 3.455 32.952 ( -3.515 -1.967 0.000) 4.028 36.565 ( 1.755 0.856 0.000) 1.953 36.900 ( -0.870 -0.050 0.000) 0.871 37.285 ( -1.008 -0.500 0.000) 1.125 37.293 ( -1.354 -0.768 0.000) 1.557 69.617 ( -2.113 -1.216 0.000) 2.437 69.623 ( -2.842 -1.617 0.000) 3.270 70.954 ( 2.342 -1.145 0.000) 2.606 71.513 ( -1.012 -2.070 0.000) 2.304 71.739 ( -2.105 4.113 0.000) 4.620 71.831 ( 0.804 5.044 0.000) 5.107 71.893 ( 6.065 -0.422 0.000) 6.080 72.497 ( -0.539 -2.373 0.000) 2.433 ======================= Grid point 16 (10/140) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 27.660 3.392 0.000) 27.867 1.892 ( 21.144 18.127 0.000) 27.850 3.273 ( -3.047 7.571 0.000) 8.161 3.353 ( 39.138 9.284 0.000) 40.224 3.990 ( 18.396 -4.003 0.000) 18.827 4.274 ( -11.389 -4.496 0.000) 12.245 5.180 ( -4.577 13.701 0.000) 14.446 5.351 ( -7.329 30.334 0.000) 31.207 6.673 ( 3.886 -3.246 0.000) 5.063 7.272 ( 30.217 -12.055 0.000) 32.533 7.654 ( -13.219 -4.071 0.000) 13.832 8.145 ( -2.054 -12.020 0.000) 12.194 8.686 ( 30.757 18.297 0.000) 35.788 9.589 ( 9.213 19.111 0.000) 21.216 10.888 ( 44.034 3.141 0.000) 44.146 11.256 ( -12.971 -1.179 0.000) 13.024 11.894 ( -15.560 -2.171 0.000) 15.711 12.101 ( 12.654 2.648 0.000) 12.928 32.202 ( 1.087 0.737 0.000) 1.314 32.317 ( 0.106 -1.289 0.000) 1.293 32.449 ( -2.442 -1.767 0.000) 3.015 32.498 ( -1.838 0.349 0.000) 1.870 32.796 ( -3.545 -1.860 0.000) 4.003 32.873 ( -4.354 -1.962 0.000) 4.776 36.606 ( 2.337 0.716 0.000) 2.444 36.878 ( -1.366 -0.038 0.000) 1.367 37.262 ( -1.214 -0.428 0.000) 1.287 37.264 ( -1.506 -0.720 0.000) 1.669 69.565 ( -2.948 -1.442 0.000) 3.282 69.571 ( -2.449 -1.198 0.000) 2.726 71.014 ( 3.659 -1.743 0.000) 4.053 71.495 ( -1.015 -3.104 0.000) 3.265 71.695 ( -2.151 5.266 0.000) 5.688 71.834 ( -0.516 5.855 0.000) 5.878 72.021 ( 6.741 -0.616 0.000) 6.769 72.486 ( -0.603 -2.730 0.000) 2.796 ======================= Grid point 17 (11/140) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 19.049 13.029 0.000) 23.079 2.395 ( 25.958 -0.259 0.000) 25.959 3.199 ( -4.480 6.496 0.000) 7.891 4.006 ( 6.356 0.584 0.000) 6.383 4.038 ( 7.745 -0.378 0.000) 7.754 4.330 ( 15.395 -5.156 0.000) 16.235 5.095 ( -3.657 15.217 0.000) 15.650 5.219 ( -5.919 28.993 0.000) 29.591 6.725 ( 2.628 -5.642 0.000) 6.224 7.386 ( -13.591 -5.507 0.000) 14.664 7.763 ( 18.113 -11.742 0.000) 21.586 8.106 ( -1.765 -12.805 0.000) 12.926 9.304 ( 31.600 15.129 0.000) 35.035 9.795 ( 11.619 18.472 0.000) 21.822 10.978 ( -14.940 3.168 0.000) 15.272 11.524 ( -17.659 -0.674 0.000) 17.672 11.726 ( 34.962 3.424 0.000) 35.129 12.383 ( 14.709 2.180 0.000) 14.870 32.227 ( 1.491 0.379 0.000) 1.538 32.323 ( 0.578 -1.067 0.000) 1.214 32.399 ( -2.586 -1.683 0.000) 3.085 32.457 ( -2.197 0.476 0.000) 2.248 32.729 ( -3.019 -1.948 0.000) 3.593 32.787 ( -4.166 -1.945 0.000) 4.598 36.656 ( 2.643 0.535 0.000) 2.697 36.847 ( -1.811 -0.050 0.000) 1.811 37.237 ( -1.233 -0.655 0.000) 1.396 37.239 ( -1.118 -0.392 0.000) 1.184 69.513 ( -2.243 -1.299 0.000) 2.592 69.524 ( -2.186 -1.177 0.000) 2.483 71.096 ( 4.579 -2.000 0.000) 4.997 71.462 ( -2.648 -3.727 0.000) 4.572 71.667 ( -0.381 5.990 0.000) 6.002 71.811 ( -1.696 5.782 0.000) 6.025 72.153 ( 6.488 -0.808 0.000) 6.538 72.469 ( -1.269 -2.495 0.000) 2.799 ======================= Grid point 18 (12/140) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 15.185 9.215 0.000) 17.762 2.868 ( 20.077 -3.018 0.000) 20.302 3.102 ( -3.729 7.232 0.000) 8.137 3.711 ( -17.200 -2.867 0.000) 17.438 4.458 ( 15.507 -0.603 0.000) 15.519 4.569 ( 8.163 -5.255 0.000) 9.708 5.048 ( -0.908 18.351 0.000) 18.374 5.121 ( -3.966 26.231 0.000) 26.529 6.797 ( 4.959 -6.310 0.000) 8.025 7.131 ( -11.885 -6.252 0.000) 13.429 7.995 ( 6.441 -12.431 0.000) 14.001 8.080 ( -0.901 -13.298 0.000) 13.329 9.917 ( 30.005 11.306 0.000) 32.064 10.043 ( 13.402 16.465 0.000) 21.230 10.680 ( -14.746 7.666 0.000) 16.620 11.083 ( -24.706 2.815 0.000) 24.866 12.336 ( 23.850 2.484 0.000) 23.979 12.621 ( 7.812 2.063 0.000) 8.080 32.261 ( 1.888 -0.164 0.000) 1.895 32.341 ( 1.226 -0.653 0.000) 1.389 32.348 ( -2.487 -1.351 0.000) 2.831 32.413 ( -2.244 0.301 0.000) 2.264 32.684 ( -1.386 -1.965 0.000) 2.405 32.716 ( -2.890 -1.930 0.000) 3.476 36.709 ( 2.685 0.334 0.000) 2.706 36.807 ( -2.204 0.005 0.000) 2.204 37.218 ( -0.642 -0.573 0.000) 0.861 37.220 ( -0.713 -0.414 0.000) 0.825 69.479 ( -1.065 -1.208 0.000) 1.611 69.488 ( -1.399 -1.163 0.000) 1.819 71.192 ( 5.105 -2.193 0.000) 5.556 71.390 ( -4.432 -3.113 0.000) 5.416 71.681 ( 1.573 5.585 0.000) 5.803 71.770 ( -2.393 5.472 0.000) 5.972 72.272 ( 5.520 -1.110 0.000) 5.631 72.432 ( -2.528 -2.022 0.000) 3.237 ======================= Grid point 19 (13/140) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -10.153 5.695 0.000) 11.641 2.884 ( 10.153 5.695 0.000) 11.641 3.344 ( -19.711 -1.188 0.000) 19.747 3.344 ( 19.711 -1.188 0.000) 19.747 4.631 ( -2.323 -3.893 0.000) 4.534 4.631 ( 2.323 -3.893 0.000) 4.534 5.061 ( -2.090 22.480 0.000) 22.577 5.061 ( 2.090 22.480 0.000) 22.577 6.928 ( -8.515 -6.453 0.000) 10.684 6.928 ( 8.515 -6.453 0.000) 10.684 8.062 ( -1.367 -13.139 0.000) 13.210 8.062 ( 1.367 -13.139 0.000) 13.210 10.289 ( -6.734 13.138 0.000) 14.764 10.289 ( 6.734 13.138 0.000) 14.764 10.592 ( -20.211 6.266 0.000) 21.160 10.592 ( 20.211 6.266 0.000) 21.160 12.639 ( -6.819 2.190 0.000) 7.162 12.639 ( 6.819 2.190 0.000) 7.162 32.302 ( -2.232 -0.799 0.000) 2.371 32.302 ( 2.232 -0.799 0.000) 2.371 32.372 ( -1.880 -0.137 0.000) 1.885 32.372 ( 1.880 -0.137 0.000) 1.885 32.679 ( -0.834 -1.939 0.000) 2.110 32.679 ( 0.834 -1.939 0.000) 2.110 36.760 ( -2.515 0.143 0.000) 2.519 36.760 ( 2.515 0.143 0.000) 2.519 37.212 ( -0.075 -0.485 0.000) 0.491 37.212 ( 0.075 -0.485 0.000) 0.491 69.471 ( -0.243 -1.167 0.000) 1.192 69.471 ( 0.243 -1.167 0.000) 1.192 71.294 ( -5.136 -2.505 0.000) 5.715 71.294 ( 5.136 -2.505 0.000) 5.715 71.721 ( -2.411 5.320 0.000) 5.841 71.721 ( 2.411 5.320 0.000) 5.841 72.367 ( -4.082 -1.527 0.000) 4.358 72.367 ( 4.082 -1.527 0.000) 4.358 ======================= Grid point 28 (14/140) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 17.244 17.244 0.000) 24.387 1.906 ( 18.518 18.518 0.000) 26.188 3.005 ( 31.847 31.847 0.000) 45.038 3.562 ( 6.607 6.607 0.000) 9.344 3.573 ( 4.199 4.199 0.000) 5.938 4.340 ( -8.255 -8.255 0.000) 11.674 5.417 ( 3.442 3.442 0.000) 4.867 6.174 ( 17.314 17.314 0.000) 24.485 6.313 ( 15.452 15.452 0.000) 21.853 6.687 ( -5.178 -5.178 0.000) 7.323 7.834 ( -6.321 -6.321 0.000) 8.940 7.947 ( -9.786 -9.786 0.000) 13.839 8.575 ( 26.455 26.455 0.000) 37.413 9.825 ( 16.646 16.646 0.000) 23.541 10.316 ( 25.848 25.848 0.000) 36.555 11.374 ( -6.210 -6.210 0.000) 8.782 12.001 ( 6.583 6.583 0.000) 9.310 12.030 ( -8.257 -8.257 0.000) 11.677 32.203 ( 1.003 1.003 0.000) 1.419 32.296 ( -0.887 -0.887 0.000) 1.254 32.455 ( -2.198 -2.198 0.000) 3.109 32.521 ( -0.788 -0.788 0.000) 1.115 32.813 ( -3.127 -3.127 0.000) 4.423 32.897 ( -3.520 -3.520 0.000) 4.978 36.590 ( 1.584 1.584 0.000) 2.240 36.893 ( -0.703 -0.703 0.000) 0.994 37.271 ( -0.900 -0.900 0.000) 1.273 37.272 ( -1.295 -1.295 0.000) 1.832 69.580 ( -2.613 -2.613 0.000) 3.695 69.583 ( -2.091 -2.091 0.000) 2.957 70.951 ( 0.981 0.981 0.000) 1.388 71.475 ( -1.730 -1.730 0.000) 2.447 71.808 ( 1.370 1.370 0.000) 1.938 71.908 ( 3.216 3.216 0.000) 4.548 71.922 ( 3.604 3.604 0.000) 5.096 72.449 ( -2.171 -2.171 0.000) 3.071 ======================= Grid point 29 (15/140) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 21.106 7.924 0.000) 22.544 2.241 ( 16.171 15.624 0.000) 22.486 3.473 ( -5.314 11.983 0.000) 13.109 3.636 ( 30.110 18.497 0.000) 35.337 3.886 ( 16.681 -6.135 0.000) 17.773 4.151 ( -10.818 -7.832 0.000) 13.355 5.421 ( -1.764 8.318 0.000) 8.503 6.075 ( -9.215 39.030 0.000) 40.103 6.585 ( -0.873 -5.309 0.000) 5.380 7.012 ( 31.109 -13.277 0.000) 33.824 7.585 ( -15.463 -2.489 0.000) 15.662 7.859 ( -2.461 -15.928 0.000) 16.117 9.119 ( 28.137 24.318 0.000) 37.190 10.069 ( 10.278 27.429 0.000) 29.292 11.015 ( 40.434 10.928 0.000) 41.885 11.242 ( -7.209 0.183 0.000) 7.211 11.826 ( -12.270 -4.805 0.000) 13.177 12.180 ( 11.744 5.475 0.000) 12.958 32.222 ( 0.844 1.200 0.000) 1.467 32.287 ( 0.031 -1.596 0.000) 1.596 32.408 ( -2.456 -2.251 0.000) 3.331 32.498 ( -1.491 -0.331 0.000) 1.527 32.744 ( -3.711 -3.343 0.000) 4.995 32.818 ( -4.336 -3.508 0.000) 5.578 36.626 ( 2.092 1.306 0.000) 2.466 36.873 ( -1.312 -0.537 0.000) 1.417 37.245 ( -1.423 -1.204 0.000) 1.864 37.250 ( -1.124 -0.769 0.000) 1.362 69.526 ( -2.732 -2.349 0.000) 3.603 69.538 ( -2.417 -2.053 0.000) 3.171 70.991 ( 2.944 -0.270 0.000) 2.956 71.443 ( -1.687 -2.227 0.000) 2.794 71.800 ( -1.089 4.932 0.000) 5.051 71.963 ( 0.535 6.530 0.000) 6.551 72.011 ( 6.224 0.005 0.000) 6.224 72.417 ( -1.095 -4.045 0.000) 4.190 ======================= Grid point 30 (16/140) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 21.746 1.176 0.000) 21.777 2.549 ( 14.801 11.550 0.000) 18.774 3.363 ( -5.737 9.395 0.000) 11.008 3.914 ( -13.163 -6.858 0.000) 14.842 4.145 ( 20.813 7.993 0.000) 22.295 4.200 ( 14.543 -7.702 0.000) 16.456 5.392 ( -0.258 11.597 0.000) 11.600 5.886 ( -9.680 33.682 0.000) 35.045 6.589 ( 1.577 -6.857 0.000) 7.036 7.277 ( -15.222 -4.795 0.000) 15.959 7.490 ( 16.826 -14.480 0.000) 22.198 7.812 ( -2.264 -15.170 0.000) 15.338 9.670 ( 27.499 20.646 0.000) 34.387 10.270 ( 10.341 28.292 0.000) 30.123 11.087 ( -8.535 8.177 0.000) 11.820 11.513 ( -14.138 -0.412 0.000) 14.144 11.821 ( 33.874 6.453 0.000) 34.483 12.447 ( 14.232 4.377 0.000) 14.890 32.237 ( 0.753 0.502 0.000) 0.905 32.298 ( 1.050 -1.348 0.000) 1.709 32.360 ( -2.395 -2.143 0.000) 3.213 32.462 ( -2.092 0.011 0.000) 2.092 32.675 ( -3.106 -3.533 0.000) 4.704 32.733 ( -4.136 -3.471 0.000) 5.400 36.671 ( 2.347 0.941 0.000) 2.528 36.843 ( -1.733 -0.401 0.000) 1.778 37.219 ( -1.127 -1.082 0.000) 1.562 37.228 ( -1.097 -0.686 0.000) 1.293 69.478 ( -2.090 -2.134 0.000) 2.987 69.492 ( -2.153 -2.006 0.000) 2.943 71.063 ( 4.203 -1.024 0.000) 4.326 71.402 ( -2.634 -2.394 0.000) 3.559 71.786 ( -0.111 5.746 0.000) 5.747 71.948 ( -1.857 7.463 0.000) 7.691 72.135 ( 6.061 -0.824 0.000) 6.117 72.400 ( -0.804 -4.345 0.000) 4.419 ======================= Grid point 31 (17/140) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 18.342 -2.968 0.000) 18.581 2.812 ( 11.502 7.857 0.000) 13.929 3.257 ( -4.237 7.825 0.000) 8.899 3.631 ( -15.452 -5.048 0.000) 16.256 4.436 ( 8.890 -7.933 0.000) 11.915 4.444 ( 9.615 -0.737 0.000) 9.643 5.429 ( 4.054 16.006 0.000) 16.512 5.701 ( -8.857 27.433 0.000) 28.827 6.652 ( 4.833 -7.135 0.000) 8.617 6.999 ( -12.724 -6.250 0.000) 14.176 7.699 ( 5.547 -15.394 0.000) 16.362 7.776 ( -1.288 -15.052 0.000) 15.107 10.199 ( 26.073 16.095 0.000) 30.640 10.477 ( 10.598 26.407 0.000) 28.454 10.906 ( -9.731 15.261 0.000) 18.100 11.152 ( -20.575 3.995 0.000) 20.959 12.410 ( 23.140 5.104 0.000) 23.696 12.681 ( 7.843 4.033 0.000) 8.819 32.254 ( 1.052 -0.564 0.000) 1.193 32.316 ( -2.065 -1.852 0.000) 2.774 32.326 ( 1.826 -0.679 0.000) 1.948 32.417 ( -2.477 0.044 0.000) 2.478 32.629 ( -1.345 -3.547 0.000) 3.793 32.662 ( -2.879 -3.434 0.000) 4.481 36.718 ( 2.374 0.527 0.000) 2.432 36.805 ( -2.027 -0.195 0.000) 2.036 37.202 ( -0.520 -0.937 0.000) 1.071 37.209 ( -0.773 -0.695 0.000) 1.040 69.447 ( -0.985 -2.004 0.000) 2.233 69.456 ( -1.382 -1.965 0.000) 2.402 71.153 ( 4.825 -1.468 0.000) 5.043 71.336 ( -3.972 -2.166 0.000) 4.524 71.800 ( 1.547 6.047 0.000) 6.242 71.899 ( -2.862 7.047 0.000) 7.605 72.244 ( 4.952 -1.542 0.000) 5.187 72.377 ( -1.758 -3.494 0.000) 3.911 ======================= Grid point 32 (18/140) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -3.606 2.790 0.000) 4.559 2.979 ( 3.606 2.790 0.000) 4.559 3.326 ( -13.511 -0.219 0.000) 13.513 3.326 ( 13.511 -0.219 0.000) 13.513 4.532 ( -0.475 -5.962 0.000) 5.980 4.532 ( 0.475 -5.962 0.000) 5.980 5.542 ( -7.117 21.322 0.000) 22.479 5.542 ( 7.117 21.322 0.000) 22.479 6.785 ( -8.811 -6.950 0.000) 11.222 6.785 ( 8.811 -6.950 0.000) 11.222 7.755 ( -1.203 -15.338 0.000) 15.385 7.755 ( 1.203 -15.338 0.000) 15.385 10.643 ( -5.587 20.660 0.000) 21.402 10.643 ( 5.587 20.660 0.000) 21.402 10.756 ( -7.783 11.090 0.000) 13.548 10.756 ( 7.783 11.090 0.000) 13.548 12.703 ( -6.461 4.312 0.000) 7.767 12.703 ( 6.461 4.312 0.000) 7.767 32.280 ( -1.567 -1.348 0.000) 2.067 32.280 ( 1.567 -1.348 0.000) 2.067 32.368 ( -2.357 -0.217 0.000) 2.367 32.368 ( 2.357 -0.217 0.000) 2.367 32.624 ( -0.878 -3.455 0.000) 3.564 32.624 ( 0.878 -3.455 0.000) 3.564 36.763 ( -2.245 0.125 0.000) 2.248 36.763 ( 2.245 0.125 0.000) 2.248 37.199 ( -0.187 -0.793 0.000) 0.815 37.199 ( 0.187 -0.793 0.000) 0.815 69.440 ( -0.263 -1.955 0.000) 1.972 69.440 ( 0.263 -1.955 0.000) 1.972 71.249 ( -4.774 -1.812 0.000) 5.107 71.249 ( 4.774 -1.812 0.000) 5.107 71.843 ( -2.678 6.430 0.000) 6.965 71.843 ( 2.678 6.430 0.000) 6.965 72.327 ( -3.360 -2.440 0.000) 4.153 72.327 ( 3.360 -2.440 0.000) 4.153 ======================= Grid point 42 (19/140) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 12.366 12.366 0.000) 17.488 2.508 ( 12.144 12.144 0.000) 17.174 3.654 ( -0.287 -0.287 0.000) 0.407 3.825 ( 6.316 6.316 0.000) 8.932 3.972 ( -10.107 -10.107 0.000) 14.293 4.016 ( 18.295 18.295 0.000) 25.873 5.493 ( 0.249 0.249 0.000) 0.352 6.452 ( -6.351 -6.351 0.000) 8.982 6.680 ( 1.113 1.113 0.000) 1.575 6.876 ( 17.148 17.148 0.000) 24.251 7.467 ( -14.307 -14.307 0.000) 20.233 7.623 ( -3.223 -3.223 0.000) 4.557 9.609 ( 24.724 24.724 0.000) 34.965 10.554 ( 19.290 19.290 0.000) 27.280 11.267 ( 2.049 2.049 0.000) 2.897 11.383 ( 26.908 26.908 0.000) 38.053 11.702 ( -7.743 -7.743 0.000) 10.951 12.328 ( 9.840 9.840 0.000) 13.915 32.247 ( 1.177 1.177 0.000) 1.665 32.260 ( -0.899 -0.899 0.000) 1.272 32.362 ( -2.380 -2.380 0.000) 3.366 32.485 ( -0.983 -0.983 0.000) 1.390 32.670 ( -4.005 -4.005 0.000) 5.665 32.740 ( -4.295 -4.295 0.000) 6.074 36.656 ( 1.689 1.689 0.000) 2.388 36.856 ( -1.123 -1.123 0.000) 1.589 37.219 ( -1.295 -1.295 0.000) 1.831 37.233 ( -0.989 -0.989 0.000) 1.399 69.477 ( -2.483 -2.483 0.000) 3.511 69.493 ( -2.360 -2.360 0.000) 3.338 71.008 ( 1.903 1.903 0.000) 2.692 71.404 ( -1.831 -1.831 0.000) 2.590 71.866 ( 1.541 1.541 0.000) 2.179 72.043 ( 3.534 3.534 0.000) 4.998 72.069 ( 3.644 3.644 0.000) 5.153 72.340 ( -3.312 -3.312 0.000) 4.685 ======================= Grid point 43 (20/140) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 15.260 4.101 0.000) 15.801 2.735 ( 10.841 7.718 0.000) 13.307 3.533 ( -7.851 6.488 0.000) 10.185 3.757 ( -11.689 -8.945 0.000) 14.719 4.054 ( 12.660 -5.718 0.000) 13.892 4.306 ( 10.434 7.391 0.000) 12.787 5.495 ( 1.316 -0.387 0.000) 1.371 6.279 ( -11.640 1.564 0.000) 11.745 6.547 ( -4.813 1.654 0.000) 5.090 7.144 ( -16.412 -11.275 0.000) 19.912 7.295 ( 16.589 -0.666 0.000) 16.603 7.608 ( -0.088 -3.124 0.000) 3.125 10.080 ( 22.958 20.351 0.000) 30.679 10.837 ( 10.903 26.665 0.000) 28.808 11.297 ( 0.344 12.429 0.000) 12.433 11.505 ( -11.401 -0.457 0.000) 11.410 12.003 ( 31.703 12.955 0.000) 34.247 12.561 ( 12.960 7.467 0.000) 14.958 32.241 ( -0.486 -0.335 0.000) 0.591 32.280 ( 1.702 -0.107 0.000) 1.705 32.317 ( -2.175 -2.190 0.000) 3.087 32.458 ( -1.755 -0.398 0.000) 1.799 32.595 ( -3.288 -4.372 0.000) 5.470 32.656 ( -4.067 -4.211 0.000) 5.854 36.692 ( 1.852 1.153 0.000) 2.182 36.830 ( -1.501 -0.864 0.000) 1.732 37.196 ( -0.971 -1.134 0.000) 1.493 37.212 ( -1.026 -0.861 0.000) 1.340 69.433 ( -1.919 -2.284 0.000) 2.983 69.449 ( -2.089 -2.284 0.000) 3.095 71.062 ( 3.512 1.002 0.000) 3.652 71.364 ( -2.388 -1.545 0.000) 2.844 71.880 ( 0.543 3.520 0.000) 3.561 72.089 ( -1.628 6.516 0.000) 6.717 72.133 ( 4.923 1.008 0.000) 5.026 72.303 ( -0.377 -5.340 0.000) 5.353 ======================= Grid point 44 (21/140) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 15.050 -1.905 0.000) 15.170 2.924 ( 7.682 3.566 0.000) 8.470 3.389 ( -6.262 4.929 0.000) 7.969 3.517 ( -12.165 -6.347 0.000) 13.722 4.276 ( 9.283 -7.627 0.000) 12.015 4.427 ( 2.188 -1.265 0.000) 2.527 5.574 ( 6.821 -0.942 0.000) 6.886 6.015 ( -14.021 3.391 0.000) 14.425 6.528 ( 2.447 -8.087 0.000) 8.449 6.848 ( -13.203 -11.349 0.000) 17.410 7.515 ( 6.556 0.036 0.000) 6.556 7.605 ( -0.296 -0.093 0.000) 0.310 10.513 ( 20.832 15.018 0.000) 25.681 11.017 ( 7.231 24.498 0.000) 25.543 11.247 ( -14.169 7.563 0.000) 16.062 11.269 ( -3.206 20.592 0.000) 20.841 12.542 ( 21.335 8.516 0.000) 22.972 12.782 ( 7.731 6.366 0.000) 10.014 32.238 ( 0.270 -0.963 0.000) 1.000 32.278 ( -1.691 -1.882 0.000) 2.530 32.318 ( 2.080 -0.212 0.000) 2.090 32.415 ( -2.576 -0.216 0.000) 2.585 32.550 ( -1.187 -4.358 0.000) 4.517 32.586 ( -2.835 -4.109 0.000) 4.992 36.728 ( 1.854 0.547 0.000) 1.933 36.799 ( -1.684 -0.513 0.000) 1.760 37.183 ( -0.360 -0.967 0.000) 1.032 37.194 ( -0.803 -0.801 0.000) 1.134 69.405 ( -0.908 -2.176 0.000) 2.358 69.414 ( -1.334 -2.207 0.000) 2.579 71.141 ( 4.333 0.306 0.000) 4.344 71.306 ( -3.511 -0.953 0.000) 3.639 71.903 ( 1.909 4.032 0.000) 4.461 72.028 ( -3.791 5.562 0.000) 6.731 72.222 ( 3.898 -0.382 0.000) 3.917 72.303 ( -0.250 -3.619 0.000) 3.627 ======================= Grid point 45 (22/140) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -4.590 -2.190 0.000) 5.086 2.980 ( 4.590 -2.190 0.000) 5.086 3.335 ( -3.344 0.646 0.000) 3.405 3.335 ( 3.344 0.646 0.000) 3.405 4.408 ( -3.926 -6.292 0.000) 7.417 4.408 ( 3.926 -6.292 0.000) 7.417 5.757 ( -11.563 0.427 0.000) 11.570 5.757 ( 11.563 0.427 0.000) 11.570 6.635 ( -8.244 -10.802 0.000) 13.589 6.635 ( 8.244 -10.802 0.000) 13.589 7.589 ( -1.715 0.988 0.000) 1.979 7.589 ( 1.715 0.988 0.000) 1.979 10.896 ( -17.685 8.531 0.000) 19.635 10.896 ( 17.685 8.531 0.000) 19.635 11.179 ( -5.467 26.560 0.000) 27.117 11.179 ( 5.467 26.560 0.000) 27.117 12.811 ( -5.714 6.730 0.000) 8.828 12.811 ( 5.714 6.730 0.000) 8.828 32.251 ( -1.025 -1.465 0.000) 1.788 32.251 ( 1.025 -1.465 0.000) 1.788 32.363 ( -2.535 -0.310 0.000) 2.554 32.363 ( 2.535 -0.310 0.000) 2.554 32.548 ( -0.977 -4.113 0.000) 4.228 32.548 ( 0.977 -4.113 0.000) 4.228 36.764 ( -1.783 -0.035 0.000) 1.783 36.764 ( 1.783 -0.035 0.000) 1.783 37.183 ( -0.305 -0.841 0.000) 0.894 37.183 ( 0.305 -0.841 0.000) 0.894 69.398 ( -0.262 -2.160 0.000) 2.175 69.398 ( 0.262 -2.160 0.000) 2.175 71.228 ( -4.316 -0.309 0.000) 4.327 71.228 ( 4.316 -0.309 0.000) 4.327 71.956 ( -3.345 4.526 0.000) 5.628 71.956 ( 3.345 4.526 0.000) 5.628 72.281 ( -2.054 -1.782 0.000) 2.719 72.281 ( 2.054 -1.782 0.000) 2.719 ======================= Grid point 56 (23/140) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 7.555 7.555 0.000) 10.684 2.869 ( 5.974 5.974 0.000) 8.448 3.556 ( -4.343 -4.343 0.000) 6.141 3.570 ( -9.722 -9.722 0.000) 13.750 4.039 ( 4.392 4.392 0.000) 6.211 4.403 ( 1.931 1.931 0.000) 2.730 5.455 ( -1.542 -1.542 0.000) 2.181 6.208 ( -5.721 -5.721 0.000) 8.090 6.391 ( -13.962 -13.962 0.000) 19.745 6.853 ( -16.140 -16.140 0.000) 22.826 7.468 ( 12.402 12.402 0.000) 17.539 7.642 ( 4.012 4.012 0.000) 5.673 10.458 ( 17.817 17.817 0.000) 25.197 11.213 ( 9.334 9.334 0.000) 13.200 11.508 ( 2.014 2.014 0.000) 2.848 11.529 ( 9.828 9.828 0.000) 13.899 12.351 ( 21.322 21.322 0.000) 30.154 12.743 ( 10.562 10.562 0.000) 14.937 32.228 ( -0.674 -0.674 0.000) 0.953 32.276 ( -1.892 -1.892 0.000) 2.675 32.292 ( 1.017 1.017 0.000) 1.438 32.447 ( -0.917 -0.917 0.000) 1.296 32.511 ( -3.866 -3.866 0.000) 5.467 32.574 ( -3.915 -3.915 0.000) 5.536 36.715 ( 1.201 1.201 0.000) 1.699 36.810 ( -1.156 -1.156 0.000) 1.635 37.177 ( -0.803 -0.803 0.000) 1.136 37.195 ( -0.897 -0.897 0.000) 1.268 69.392 ( -1.796 -1.796 0.000) 2.540 69.406 ( -1.994 -1.994 0.000) 2.820 71.100 ( 2.685 2.685 0.000) 3.798 71.334 ( -1.641 -1.641 0.000) 2.321 71.924 ( 1.299 1.299 0.000) 1.838 72.177 ( 3.105 3.105 0.000) 4.392 72.194 ( -3.930 -3.930 0.000) 5.558 72.198 ( 2.815 2.815 0.000) 3.981 ======================= Grid point 57 (24/140) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 9.770 0.482 0.000) 9.782 2.960 ( 2.515 0.357 0.000) 2.540 3.391 ( -7.492 -6.096 0.000) 9.659 3.429 ( -6.876 -1.112 0.000) 6.965 4.167 ( 7.236 -2.739 0.000) 7.737 4.386 ( -3.128 -2.989 0.000) 4.326 5.485 ( 5.157 -5.390 0.000) 7.459 5.967 ( -16.913 -5.370 0.000) 17.745 6.258 ( 0.754 -17.048 0.000) 17.065 6.557 ( -13.267 -16.287 0.000) 21.006 7.661 ( 6.608 10.675 0.000) 12.555 7.713 ( 2.653 7.997 0.000) 8.425 10.781 ( 14.929 12.183 0.000) 19.269 11.219 ( -5.952 1.932 0.000) 6.257 11.594 ( 4.998 19.944 0.000) 20.561 11.657 ( 3.156 17.169 0.000) 17.457 12.754 ( 17.168 12.815 0.000) 21.423 12.934 ( 7.195 8.854 0.000) 11.409 32.220 ( -0.103 -0.842 0.000) 0.848 32.244 ( -1.322 -1.545 0.000) 2.034 32.317 ( 1.560 0.122 0.000) 1.564 32.409 ( -2.872 -0.475 0.000) 2.911 32.465 ( -0.615 -3.969 0.000) 4.016 32.508 ( -2.673 -3.664 0.000) 4.536 36.739 ( 1.187 0.490 0.000) 1.284 36.786 ( -1.229 -0.720 0.000) 1.424 37.166 ( -0.238 -0.684 0.000) 0.724 37.178 ( -0.733 -0.753 0.000) 1.051 69.365 ( -0.878 -1.755 0.000) 1.963 69.373 ( -1.246 -1.885 0.000) 2.260 71.163 ( 3.551 1.793 0.000) 3.978 71.294 ( -2.563 -0.468 0.000) 2.605 71.952 ( 1.903 1.086 0.000) 2.191 72.091 ( -4.926 0.004 0.000) 4.926 72.237 ( 2.630 1.786 0.000) 3.179 72.260 ( 1.856 -0.040 0.000) 1.857 ======================= Grid point 58 (25/140) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -6.913 -3.340 0.000) 7.677 2.920 ( 6.913 -3.340 0.000) 7.677 3.330 ( -1.933 -1.406 0.000) 2.390 3.330 ( 1.933 -1.406 0.000) 2.390 4.297 ( -5.670 -4.662 0.000) 7.340 4.297 ( 5.670 -4.662 0.000) 7.340 5.663 ( -12.734 -7.203 0.000) 14.630 5.663 ( 12.734 -7.203 0.000) 14.630 6.346 ( -7.816 -16.313 0.000) 18.089 6.346 ( 7.816 -16.313 0.000) 18.089 7.733 ( -0.984 10.005 0.000) 10.054 7.733 ( 0.984 10.005 0.000) 10.054 11.043 ( -11.400 6.262 0.000) 13.006 11.043 ( 11.400 6.262 0.000) 13.006 11.666 ( -1.922 21.125 0.000) 21.212 11.666 ( 1.922 21.125 0.000) 21.212 12.971 ( -4.340 9.388 0.000) 10.342 12.971 ( 4.340 9.388 0.000) 10.342 32.225 ( -0.615 -1.168 0.000) 1.320 32.225 ( 0.615 -1.168 0.000) 1.320 32.355 ( -2.342 -0.559 0.000) 2.407 32.355 ( 2.342 -0.559 0.000) 2.407 32.471 ( -1.079 -3.482 0.000) 3.645 32.471 ( 1.079 -3.482 0.000) 3.645 36.762 ( -1.200 -0.172 0.000) 1.212 36.762 ( 1.200 -0.172 0.000) 1.212 37.167 ( -0.335 -0.665 0.000) 0.744 37.167 ( 0.335 -0.665 0.000) 0.744 69.358 ( -0.217 -1.794 0.000) 1.807 69.358 ( 0.217 -1.794 0.000) 1.807 71.233 ( -3.452 0.757 0.000) 3.534 71.233 ( 3.452 0.757 0.000) 3.534 72.006 ( -3.590 0.474 0.000) 3.621 72.006 ( 3.590 0.474 0.000) 3.621 72.271 ( -0.661 0.819 0.000) 1.052 72.271 ( 0.661 0.819 0.000) 1.052 ======================= Grid point 70 (26/140) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 3.447 3.447 0.000) 4.875 2.940 ( -2.486 -2.486 0.000) 3.516 3.295 ( -3.030 -3.030 0.000) 4.285 3.362 ( -4.630 -4.630 0.000) 6.548 4.167 ( 2.106 2.106 0.000) 2.978 4.312 ( -4.272 -4.272 0.000) 6.042 5.432 ( 0.966 0.966 0.000) 1.366 5.789 ( -13.687 -13.687 0.000) 19.357 6.024 ( -3.377 -3.377 0.000) 4.776 6.261 ( -12.928 -12.928 0.000) 18.283 7.837 ( 6.233 6.233 0.000) 8.815 7.849 ( 5.057 5.057 0.000) 7.151 10.992 ( 9.129 9.129 0.000) 12.911 11.215 ( -2.077 -2.077 0.000) 2.937 11.881 ( 9.109 9.109 0.000) 12.882 11.905 ( 7.764 7.764 0.000) 10.980 13.011 ( 11.627 11.627 0.000) 16.443 13.102 ( 6.881 6.881 0.000) 9.731 32.208 ( -0.345 -0.345 0.000) 0.488 32.219 ( -0.951 -0.951 0.000) 1.346 32.322 ( 0.481 0.481 0.000) 0.680 32.381 ( -2.479 -2.479 0.000) 3.506 32.417 ( -0.559 -0.559 0.000) 0.790 32.448 ( -2.245 -2.245 0.000) 3.175 36.748 ( 0.487 0.487 0.000) 0.689 36.772 ( -0.718 -0.718 0.000) 1.016 37.157 ( -0.230 -0.230 0.000) 0.325 37.165 ( -0.560 -0.560 0.000) 0.792 69.338 ( -0.913 -0.913 0.000) 1.292 69.343 ( -1.128 -1.128 0.000) 1.595 71.206 ( 2.412 2.412 0.000) 3.411 71.281 ( -1.001 -1.001 0.000) 1.415 71.965 ( 0.734 0.734 0.000) 1.039 72.048 ( -3.138 -3.138 0.000) 4.438 72.277 ( 1.842 1.842 0.000) 2.605 72.284 ( 1.506 1.506 0.000) 2.130 ======================= Grid point 71 (27/140) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -4.646 -1.899 0.000) 5.019 2.866 ( 4.646 -1.899 0.000) 5.019 3.287 ( -2.160 -2.438 0.000) 3.258 3.287 ( 2.160 -2.438 0.000) 3.258 4.229 ( -3.885 -2.224 0.000) 4.477 4.229 ( 3.885 -2.224 0.000) 4.477 5.539 ( -9.757 -4.645 0.000) 10.806 5.539 ( 9.757 -4.645 0.000) 10.806 6.066 ( -6.470 -10.785 0.000) 12.577 6.066 ( 6.470 -10.785 0.000) 12.577 7.899 ( -0.194 6.036 0.000) 6.039 7.899 ( 0.194 6.036 0.000) 6.039 11.139 ( -5.700 3.381 0.000) 6.627 11.139 ( 5.700 3.381 0.000) 6.627 11.973 ( -0.614 9.877 0.000) 9.896 11.973 ( 0.614 9.877 0.000) 9.896 13.155 ( -2.255 8.104 0.000) 8.412 13.155 ( 2.255 8.104 0.000) 8.412 32.207 ( -0.279 -0.613 0.000) 0.673 32.207 ( 0.279 -0.613 0.000) 0.673 32.340 ( -1.456 -0.855 0.000) 1.689 32.340 ( 1.456 -0.855 0.000) 1.689 32.420 ( -0.748 -1.594 0.000) 1.761 32.420 ( 0.748 -1.594 0.000) 1.761 36.759 ( -0.591 -0.154 0.000) 0.611 36.759 ( 0.591 -0.154 0.000) 0.611 37.157 ( -0.221 -0.358 0.000) 0.421 37.157 ( 0.221 -0.358 0.000) 0.421 69.330 ( -0.123 -1.006 0.000) 1.013 69.330 ( 0.123 -1.006 0.000) 1.013 71.251 ( -1.993 0.837 0.000) 2.162 71.251 ( 1.993 0.837 0.000) 2.162 71.993 ( -2.212 -1.125 0.000) 2.482 71.993 ( 2.212 -1.125 0.000) 2.482 72.299 ( -0.206 1.448 0.000) 1.463 72.299 ( 0.206 1.448 0.000) 1.463 ======================= Grid point 90 (28/140) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 12.067 ( 0.000 0.000 0.000) 0.000 12.067 ( 0.000 0.000 0.000) 0.000 13.243 ( 0.000 0.000 0.000) 0.000 13.243 ( 0.000 0.000 0.000) 0.000 32.201 ( 0.000 0.000 0.000) 0.000 32.201 ( 0.000 0.000 0.000) 0.000 32.330 ( -0.000 -0.000 0.000) 0.000 32.330 ( 0.000 0.000 0.000) 0.000 32.405 ( 0.000 0.000 0.000) 0.000 32.405 ( 0.000 0.000 0.000) 0.000 36.757 ( 0.000 0.000 0.000) 0.000 36.757 ( 0.000 0.000 0.000) 0.000 37.154 ( 0.000 0.000 0.000) 0.000 37.154 ( 0.000 0.000 0.000) 0.000 69.320 ( 0.000 0.000 0.000) 0.000 69.320 ( 0.000 0.000 0.000) 0.000 71.260 ( 0.000 0.000 0.000) 0.000 71.260 ( 0.000 0.000 0.000) 0.000 71.979 ( 0.000 0.000 0.000) 0.000 71.979 ( 0.000 0.000 0.000) 0.000 72.314 ( 0.000 0.000 0.000) 0.000 72.314 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 169 (29/140) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -0.000 -0.000 27.673) 27.673 0.543 ( 0.000 0.000 27.673) 27.673 1.247 ( 0.000 0.000 63.810) 63.810 3.184 ( 0.000 0.000 -6.339) 6.339 3.184 ( 0.000 0.000 -6.339) 6.339 4.807 ( 0.000 0.000 10.547) 10.547 4.964 ( 0.000 0.000 -13.154) 13.154 4.964 ( 0.000 0.000 -13.154) 13.154 5.654 ( 0.000 0.000 17.740) 17.740 5.654 ( 0.000 0.000 17.740) 17.740 7.510 ( 0.000 0.000 21.812) 21.812 8.257 ( 0.000 0.000 -7.122) 7.122 9.188 ( 0.000 0.000 7.304) 7.304 9.188 ( 0.000 0.000 7.304) 7.304 9.285 ( -0.000 -0.000 -8.198) 8.198 11.682 ( -0.000 -0.000 -7.128) 7.128 11.682 ( -0.000 -0.000 -7.128) 7.128 12.297 ( 0.000 0.000 -12.052) 12.052 32.172 ( 0.000 0.000 1.230) 1.230 32.172 ( 0.000 -0.000 1.230) 1.230 32.542 ( 0.000 0.000 -1.188) 1.188 32.542 ( 0.000 0.000 -1.188) 1.188 33.048 ( 0.000 0.000 0.201) 0.201 33.149 ( 0.000 0.000 -0.464) 0.464 36.532 ( 0.000 0.000 1.244) 1.244 36.905 ( 0.000 0.000 -1.209) 1.209 37.314 ( -0.000 -0.000 0.147) 0.147 37.332 ( 0.000 0.000 0.028) 0.028 69.677 ( -0.000 -0.000 0.182) 0.182 69.707 ( 0.000 0.000 -0.005) 0.005 70.920 ( 0.000 0.000 -0.077) 0.077 70.920 ( -0.000 -0.000 -0.077) 0.077 71.748 ( 0.000 0.000 0.129) 0.129 71.748 ( 0.000 0.000 0.129) 0.129 72.353 ( -0.000 -0.000 0.626) 0.626 72.526 ( 0.000 0.000 -0.505) 0.505 ======================= Grid point 170 (30/140) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 19.912 0.000 17.217) 26.323 0.886 ( 23.328 0.000 21.534) 31.748 1.702 ( 41.127 0.000 43.346) 59.752 3.181 ( -0.269 0.000 -6.184) 6.190 3.306 ( 11.508 0.000 -5.893) 12.929 4.763 ( -4.226 0.000 10.900) 11.690 4.944 ( -2.047 0.000 -12.933) 13.094 5.529 ( 37.767 0.000 -28.426) 47.270 5.577 ( -7.199 0.000 16.639) 18.129 6.040 ( 25.784 0.000 -9.501) 27.478 7.647 ( 13.175 0.000 18.596) 22.790 8.206 ( -5.295 0.000 -6.887) 8.687 8.860 ( -23.568 0.000 20.245) 31.070 9.235 ( 4.777 0.000 9.167) 10.338 9.418 ( 22.713 0.000 6.719) 23.686 11.592 ( -8.815 0.000 -10.473) 13.689 11.716 ( 3.400 0.000 -6.413) 7.259 12.277 ( -2.217 0.000 -8.342) 8.632 32.175 ( 0.327 0.000 1.184) 1.228 32.252 ( 4.267 0.000 -3.183) 5.324 32.532 ( -0.966 0.000 -1.153) 1.504 32.536 ( -0.625 0.000 -1.087) 1.254 33.028 ( -2.583 0.000 0.716) 2.680 33.036 ( -6.254 0.000 4.453) 7.677 36.541 ( 0.935 0.000 1.205) 1.525 36.901 ( -0.378 0.000 -1.161) 1.221 37.305 ( -0.703 0.000 0.021) 0.704 37.323 ( -0.809 0.000 0.028) 0.810 69.664 ( -1.252 0.000 0.151) 1.261 69.688 ( -1.858 0.000 -0.045) 1.859 70.933 ( 1.367 0.000 -0.075) 1.369 71.146 ( 13.099 0.000 -13.667) 18.930 71.734 ( -1.482 0.000 0.124) 1.487 71.783 ( 3.412 0.000 0.131) 3.414 72.160 ( -11.557 0.000 12.770) 17.224 72.524 ( -0.054 0.000 -0.552) 0.555 ======================= Grid point 171 (31/140) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 24.246 0.000 7.600) 25.410 1.372 ( 26.052 0.000 14.773) 29.949 2.605 ( 46.373 0.000 25.773) 53.054 3.172 ( -0.714 0.000 -5.668) 5.713 3.596 ( 16.739 0.000 -5.980) 17.775 4.651 ( -6.840 0.000 12.505) 14.253 4.888 ( -3.471 0.000 -12.318) 12.798 5.401 ( -10.001 0.000 13.495) 16.797 6.285 ( 31.228 0.000 -39.454) 50.317 6.414 ( 18.858 0.000 -0.103) 18.858 7.986 ( 20.097 0.000 9.090) 22.057 8.059 ( -8.626 0.000 -3.386) 9.266 8.571 ( -7.872 0.000 20.713) 22.158 9.381 ( 10.222 0.000 14.869) 18.044 10.045 ( 39.213 0.000 4.234) 39.441 11.350 ( -15.286 0.000 -17.092) 22.931 11.826 ( 8.077 0.000 -4.967) 9.483 12.198 ( -6.091 0.000 -0.547) 6.115 32.185 ( 0.691 0.000 1.051) 1.258 32.303 ( 1.402 0.000 -1.952) 2.403 32.505 ( -1.794 0.000 -1.048) 2.077 32.517 ( -1.295 0.000 -0.748) 1.495 32.924 ( -4.829 0.000 3.392) 5.901 32.974 ( -3.548 0.000 0.171) 3.553 36.568 ( 1.739 0.000 1.091) 2.053 36.889 ( -0.779 0.000 -1.023) 1.286 37.288 ( -1.048 0.000 -0.128) 1.056 37.301 ( -1.367 0.000 0.034) 1.367 69.630 ( -2.149 0.000 0.094) 2.151 69.639 ( -2.910 0.000 -0.056) 2.910 70.973 ( 2.652 0.000 -0.067) 2.653 71.327 ( 6.062 0.000 -12.402) 13.805 71.691 ( -2.851 0.000 0.110) 2.853 71.873 ( 5.144 0.000 1.122) 5.265 71.998 ( -5.052 0.000 10.453) 11.610 72.523 ( -0.046 0.000 -0.144) 0.151 ======================= Grid point 172 (32/140) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 23.868 0.000 3.011) 24.057 1.900 ( 27.061 0.000 7.929) 28.199 3.150 ( -1.651 0.000 -4.681) 4.963 3.456 ( 39.070 0.000 18.068) 43.046 3.905 ( 12.125 0.000 -8.708) 14.928 4.526 ( -4.064 0.000 16.599) 17.089 4.814 ( -3.745 0.000 -11.416) 12.015 5.201 ( -9.993 0.000 9.036) 13.473 6.500 ( 4.688 0.000 -24.012) 24.466 6.981 ( 22.102 0.000 -17.159) 27.981 7.930 ( -2.252 0.000 2.369) 3.268 8.405 ( 21.703 0.000 -5.246) 22.328 8.472 ( -3.256 0.000 17.193) 17.498 9.642 ( 16.189 0.000 23.191) 28.283 10.887 ( 44.077 0.000 2.877) 44.171 11.005 ( -19.320 0.000 -23.167) 30.166 12.030 ( -10.942 0.000 7.861) 13.473 12.044 ( 13.922 0.000 -3.177) 14.280 32.203 ( 1.110 0.000 0.842) 1.393 32.321 ( 0.602 0.000 -0.722) 0.940 32.463 ( -2.379 0.000 -0.877) 2.535 32.486 ( -1.747 0.000 -0.365) 1.785 32.834 ( -4.282 0.000 1.739) 4.621 32.894 ( -4.394 0.000 0.098) 4.395 36.608 ( 2.313 0.000 0.908) 2.485 36.870 ( -1.211 0.000 -0.809) 1.457 37.265 ( -1.217 0.000 -0.128) 1.224 37.272 ( -1.515 0.000 0.054) 1.516 69.579 ( -3.006 0.000 -0.020) 3.006 69.583 ( -2.484 0.000 0.048) 2.484 71.037 ( 3.776 0.000 -0.055) 3.776 71.419 ( 3.869 0.000 -8.862) 9.670 71.623 ( -4.006 0.000 0.089) 4.007 71.884 ( -3.502 0.000 7.811) 8.560 72.024 ( 6.416 0.000 -0.371) 6.427 72.519 ( -0.406 0.000 0.437) 0.596 ======================= Grid point 173 (33/140) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 21.233 0.000 1.209) 21.268 2.425 ( 25.908 0.000 3.635) 26.162 3.100 ( -3.599 0.000 -3.196) 4.814 3.953 ( -7.023 0.000 -7.687) 10.412 4.131 ( 28.523 0.000 14.283) 31.900 4.580 ( 8.995 0.000 15.839) 18.215 4.750 ( -2.534 0.000 -10.197) 10.508 5.014 ( -8.762 0.000 4.080) 9.665 6.578 ( 3.812 0.000 -20.528) 20.879 7.140 ( -3.480 0.000 -20.329) 20.624 8.015 ( 8.691 0.000 3.870) 9.514 8.419 ( -2.479 0.000 14.896) 15.101 8.829 ( 21.228 0.000 -19.299) 28.689 10.004 ( 19.333 0.000 27.282) 33.437 10.610 ( -19.583 0.000 -25.102) 31.837 11.710 ( 37.794 0.000 2.098) 37.852 11.766 ( -15.845 0.000 15.870) 22.426 12.348 ( 15.677 0.000 -1.357) 15.736 32.229 ( 1.574 0.000 0.573) 1.675 32.333 ( 0.659 0.000 -0.110) 0.668 32.413 ( -2.669 0.000 -0.645) 2.746 32.450 ( -1.950 0.000 -0.025) 1.950 32.757 ( -3.385 0.000 0.787) 3.475 32.807 ( -4.203 0.000 0.033) 4.203 36.657 ( 2.611 0.000 0.669) 2.695 36.842 ( -1.663 0.000 -0.538) 1.748 37.242 ( -1.100 0.000 -0.069) 1.102 37.244 ( -1.238 0.000 0.081) 1.240 69.526 ( -2.292 0.000 0.018) 2.292 69.536 ( -2.206 0.000 0.012) 2.206 71.120 ( 4.665 0.000 -0.038) 4.665 71.492 ( 3.660 0.000 -6.136) 7.144 71.535 ( -4.864 0.000 0.063) 4.865 71.809 ( -3.950 0.000 4.203) 5.768 72.159 ( 6.857 0.000 -0.142) 6.858 72.503 ( -1.349 0.000 0.845) 1.591 ======================= Grid point 174 (34/140) ======================= q-point: ( 0.42 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 16.965 0.000 0.574) 16.975 2.914 ( 23.489 0.000 1.163) 23.517 2.998 ( -7.047 0.000 -1.494) 7.204 3.708 ( -16.069 0.000 -2.580) 16.275 4.582 ( 16.873 0.000 11.243) 20.276 4.724 ( 0.126 0.000 -8.266) 8.267 4.758 ( 6.667 0.000 11.761) 13.520 4.861 ( -6.608 0.000 -0.823) 6.659 6.667 ( 5.578 0.000 -18.977) 19.780 6.988 ( -9.648 0.000 -18.306) 20.692 8.174 ( 6.710 0.000 3.722) 7.673 8.363 ( -3.346 0.000 11.285) 11.771 9.246 ( 21.245 0.000 -28.128) 35.249 10.083 ( -17.958 0.000 -25.451) 31.148 10.545 ( 19.289 0.000 26.270) 32.592 11.410 ( -20.079 0.000 23.074) 30.587 12.326 ( 23.763 0.000 1.493) 23.810 12.600 ( 8.338 0.000 0.001) 8.338 32.265 ( 2.040 0.000 0.267) 2.057 32.349 ( 1.089 0.000 0.181) 1.104 32.360 ( -2.670 0.000 -0.365) 2.695 32.411 ( -1.913 0.000 0.213) 1.925 32.707 ( -1.581 0.000 0.263) 1.603 32.736 ( -2.898 0.000 -0.006) 2.898 36.709 ( 2.639 0.000 0.388) 2.667 36.804 ( -2.094 0.000 -0.235) 2.107 37.224 ( -0.642 0.000 0.020) 0.643 37.225 ( -0.697 0.000 0.074) 0.701 69.492 ( -1.100 0.000 0.027) 1.101 69.500 ( -1.401 0.000 0.005) 1.401 71.219 ( 5.257 0.000 -0.017) 5.257 71.433 ( -5.372 0.000 0.035) 5.372 71.566 ( 3.933 0.000 -3.826) 5.487 71.729 ( -4.165 0.000 1.082) 4.303 72.287 ( 5.963 0.000 0.344) 5.973 72.463 ( -2.819 0.000 0.937) 2.970 ======================= Grid point 175 (35/140) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -11.841 0.000 -0.142) 11.842 2.813 ( 11.841 0.000 -0.142) 11.842 3.347 ( -20.277 0.000 -0.487) 20.283 3.347 ( 20.277 0.000 -0.487) 20.283 4.760 ( -3.535 0.000 -5.126) 6.227 4.760 ( 3.535 0.000 -5.126) 6.227 4.790 ( -4.155 0.000 10.508) 11.300 4.790 ( 4.155 0.000 10.508) 11.300 6.805 ( -8.394 0.000 -18.043) 19.900 6.805 ( 8.394 0.000 -18.043) 19.900 8.284 ( -4.687 0.000 6.936) 8.372 8.284 ( 4.687 0.000 6.936) 8.372 9.670 ( -21.729 0.000 -31.297) 38.100 9.670 ( 21.729 0.000 -31.297) 38.100 10.984 ( -22.746 0.000 28.618) 36.557 10.984 ( 22.746 0.000 28.618) 36.557 12.626 ( -6.576 0.000 0.868) 6.633 12.626 ( 6.576 0.000 0.868) 6.633 32.309 ( -2.434 0.000 -0.054) 2.434 32.309 ( 2.434 0.000 -0.054) 2.434 32.376 ( -1.598 0.000 0.284) 1.623 32.376 ( 1.598 0.000 0.284) 1.623 32.699 ( -0.764 0.000 0.037) 0.765 32.699 ( 0.764 0.000 0.037) 0.765 36.760 ( -2.443 0.000 0.081) 2.444 36.760 ( 2.443 0.000 0.081) 2.444 37.218 ( -0.039 0.000 0.064) 0.075 37.218 ( 0.039 0.000 0.064) 0.075 69.483 ( -0.226 0.000 0.016) 0.226 69.483 ( 0.226 0.000 0.016) 0.226 71.325 ( -5.501 0.000 0.008) 5.501 71.325 ( 5.501 0.000 0.008) 5.501 71.646 ( -4.163 0.000 -1.517) 4.431 71.646 ( 4.163 0.000 -1.517) 4.431 72.391 ( -4.491 0.000 0.739) 4.552 72.391 ( 4.491 0.000 0.739) 4.552 ======================= Grid point 183 (36/140) ======================= q-point: ( 0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 18.379 18.379 15.914) 30.476 1.178 ( 21.862 21.862 12.469) 33.337 1.979 ( 29.007 29.007 36.451) 54.877 3.288 ( 4.832 4.832 -5.223) 8.601 3.306 ( 5.180 5.180 -6.178) 9.583 4.721 ( -4.185 -4.185 11.400) 12.845 5.119 ( 6.625 6.625 -10.398) 13.997 5.546 ( 14.158 14.158 -12.184) 23.438 5.869 ( 10.572 10.572 14.827) 21.056 6.125 ( 13.301 13.301 -30.229) 35.603 7.718 ( 7.300 7.300 15.970) 19.016 8.159 ( -4.914 -4.914 -7.488) 10.216 8.675 ( -11.328 -11.328 22.388) 27.529 9.367 ( 8.969 8.969 6.612) 14.304 9.552 ( 17.318 17.318 10.987) 26.844 11.516 ( -7.466 -7.466 -11.849) 15.871 11.747 ( 3.178 3.178 -6.683) 8.054 12.254 ( -2.518 -2.518 -5.602) 6.638 32.183 ( 0.538 0.538 1.160) 1.387 32.273 ( 1.525 1.525 -2.845) 3.570 32.519 ( -1.196 -1.196 -0.945) 1.938 32.534 ( -0.408 -0.408 -1.144) 1.282 32.983 ( -4.135 -4.135 4.672) 7.485 33.009 ( -1.967 -1.967 0.169) 2.787 36.550 ( 0.906 0.906 1.167) 1.733 36.900 ( -0.226 -0.226 -1.199) 1.241 37.299 ( -0.616 -0.616 -0.077) 0.874 37.315 ( -0.798 -0.798 0.028) 1.129 69.652 ( -1.257 -1.257 0.115) 1.781 69.669 ( -1.770 -1.770 -0.067) 2.504 70.927 ( 0.407 0.407 0.069) 0.580 71.250 ( 6.978 6.978 -13.958) 17.094 71.765 ( 0.804 0.804 0.118) 1.143 71.773 ( 1.344 1.344 0.041) 1.901 72.100 ( -4.631 -4.631 13.137) 14.679 72.506 ( -1.012 -1.012 -0.509) 1.519 ======================= Grid point 184 (37/140) ======================= q-point: ( 0.17 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 24.768 12.661 11.606) 30.140 1.558 ( 18.009 22.150 9.555) 30.104 2.725 ( 41.655 13.259 22.651) 49.234 3.272 ( -1.540 9.546 -5.031) 10.900 3.574 ( 16.011 -2.199 -5.689) 17.133 4.608 ( -6.871 -4.165 13.049) 15.324 5.120 ( -3.158 18.480 -10.019) 21.257 5.645 ( -6.320 22.687 10.595) 25.824 6.311 ( 27.990 2.699 -30.283) 41.325 6.402 ( 16.126 -0.875 -4.617) 16.797 7.902 ( 6.211 -7.311 7.927) 12.445 8.045 ( -1.851 -4.946 -5.934) 7.944 8.562 ( 0.192 5.108 18.617) 19.306 9.553 ( 10.917 14.768 11.747) 21.801 10.114 ( 37.167 8.109 7.542) 38.782 11.309 ( -13.144 -4.005 -16.416) 21.407 11.851 ( 7.753 2.669 -5.699) 9.986 12.170 ( -6.103 -2.789 0.691) 6.746 32.194 ( 0.655 0.818 1.023) 1.464 32.297 ( 0.853 -0.588 -1.496) 1.820 32.487 ( -1.927 -1.454 -0.704) 2.515 32.519 ( -1.107 -0.092 -0.998) 1.493 32.898 ( -4.324 -2.398 2.964) 5.764 32.954 ( -3.538 -1.988 0.136) 4.061 36.576 ( 1.683 0.821 1.055) 2.149 36.890 ( -0.752 -0.047 -1.046) 1.289 37.282 ( -1.008 -0.530 -0.170) 1.151 37.294 ( -1.347 -0.767 0.034) 1.550 69.617 ( -2.141 -1.255 0.052) 2.482 69.623 ( -2.818 -1.611 -0.057) 3.247 70.956 ( 2.353 -0.983 0.132) 2.553 71.357 ( 3.834 2.116 -10.697) 11.559 71.729 ( -2.481 3.811 -0.123) 4.550 71.865 ( 5.714 -0.809 0.387) 5.784 72.017 ( -3.433 1.649 9.758) 10.475 72.494 ( -0.292 -2.500 -0.266) 2.531 ======================= Grid point 185 (38/140) ======================= q-point: ( 0.25 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 18.882 16.379 4.582) 25.412 1.960 ( 25.791 7.968 8.448) 28.285 3.225 ( -2.129 7.291 -4.576) 8.868 3.516 ( 36.176 6.619 15.613) 39.953 3.872 ( 11.921 -3.078 -7.875) 14.615 4.480 ( -4.469 -4.438 16.732) 17.878 5.046 ( -3.864 19.565 -9.794) 22.218 5.471 ( -9.897 25.843 8.722) 29.016 6.482 ( 3.465 -1.505 -22.102) 22.422 6.945 ( 20.800 -3.262 -15.637) 26.226 7.851 ( -2.025 -7.349 5.106) 9.175 8.170 ( 5.742 -18.268 4.620) 19.699 8.696 ( 13.488 18.688 1.866) 23.123 9.811 ( 15.215 15.204 19.721) 29.182 10.924 ( 40.769 4.062 2.967) 41.078 11.014 ( -14.419 1.112 -20.122) 24.780 12.007 ( -10.092 -2.249 7.912) 13.020 12.064 ( 13.335 2.001 -3.749) 13.996 32.210 ( 0.962 0.697 0.799) 1.431 32.310 ( 0.569 -1.067 -0.520) 1.317 32.445 ( -2.362 -1.565 -0.497) 2.876 32.491 ( -1.669 0.176 -0.703) 1.820 32.814 ( -4.206 -2.037 1.591) 4.937 32.874 ( -4.384 -1.977 0.079) 4.810 36.615 ( 2.235 0.686 0.877) 2.497 36.870 ( -1.230 -0.016 -0.797) 1.466 37.260 ( -1.196 -0.471 -0.168) 1.296 37.265 ( -1.483 -0.717 0.052) 1.648 69.565 ( -2.924 -1.441 -0.019) 3.260 69.571 ( -2.467 -1.235 0.007) 2.759 71.016 ( 3.665 -1.570 0.147) 3.990 71.412 ( 1.969 -0.705 -6.925) 7.234 71.675 ( -2.828 4.869 -0.732) 5.678 71.924 ( -2.142 3.572 6.462) 7.688 72.019 ( 5.669 -0.291 -0.133) 5.678 72.490 ( -0.288 -2.841 0.337) 2.875 ======================= Grid point 186 (39/140) ======================= q-point: ( 0.33 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 18.259 11.036 1.104) 21.364 2.456 ( 24.241 4.157 5.791) 25.267 3.165 ( -3.786 6.168 -3.373) 7.985 3.922 ( -6.554 -2.813 -7.045) 10.025 4.148 ( 26.597 2.107 12.545) 29.483 4.520 ( 8.175 -5.448 15.683) 18.506 4.982 ( -2.354 19.523 -8.984) 21.619 5.280 ( -9.168 25.539 3.937) 27.419 6.540 ( 3.023 -3.265 -18.492) 19.020 7.083 ( -4.111 -5.054 -19.814) 20.857 7.930 ( 7.795 -7.930 5.675) 12.484 8.223 ( 0.569 -17.546 11.870) 21.192 9.038 ( 19.508 19.161 -16.719) 32.051 10.142 ( 17.391 13.009 23.747) 32.181 10.666 ( -17.106 5.562 -23.149) 29.316 11.704 ( 15.345 -0.395 7.962) 17.292 11.790 ( 7.047 2.502 9.882) 12.393 12.365 ( 15.624 1.702 -1.853) 15.825 32.233 ( 1.355 0.340 0.534) 1.495 32.322 ( 0.778 -0.977 -0.025) 1.249 32.396 ( -2.504 -1.471 -0.307) 2.920 32.454 ( -2.015 0.281 -0.339) 2.063 32.737 ( -3.381 -1.998 0.743) 3.997 32.788 ( -4.192 -1.958 0.019) 4.627 36.662 ( 2.519 0.513 0.647) 2.651 36.842 ( -1.665 -0.020 -0.513) 1.743 37.236 ( -1.156 -0.554 -0.046) 1.283 37.238 ( -1.145 -0.544 0.008) 1.267 69.513 ( -2.232 -1.304 0.013) 2.585 69.524 ( -2.191 -1.204 -0.016) 2.500 71.098 ( 4.579 -1.840 0.154) 4.937 71.430 ( -0.558 -3.166 -3.189) 4.528 71.632 ( -0.974 6.552 -2.142) 6.961 71.860 ( -3.737 4.774 3.538) 7.020 72.150 ( 6.749 -0.899 -0.224) 6.812 72.477 ( -1.101 -2.533 0.808) 2.878 ======================= Grid point 187 (40/140) ======================= q-point: ( 0.42 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 15.063 7.616 -0.258) 16.881 2.894 ( 17.576 -0.285 2.803) 17.800 3.085 ( -2.035 6.977 -1.529) 7.426 3.688 ( -15.375 -1.734 -1.816) 15.578 4.563 ( 14.951 -1.864 10.097) 18.137 4.687 ( 6.509 -5.335 11.040) 13.882 4.964 ( 0.753 20.082 -7.244) 21.362 5.120 ( -6.858 24.172 -1.089) 25.150 6.617 ( 5.058 -4.366 -17.272) 18.520 6.926 ( -9.635 -5.524 -17.548) 20.767 8.066 ( 5.467 -10.139 4.775) 12.470 8.210 ( -1.824 -14.452 11.385) 18.488 9.432 ( 20.200 17.609 -26.104) 37.410 10.206 ( -16.353 12.090 -24.081) 31.519 10.622 ( 17.834 7.422 24.186) 30.953 11.419 ( -18.636 0.955 21.690) 28.612 12.352 ( 23.398 2.589 1.609) 23.596 12.618 ( 8.439 1.747 -0.317) 8.624 32.263 ( 1.764 -0.161 0.268) 1.792 32.341 ( 0.507 -0.846 0.014) 0.987 32.349 ( -1.625 -0.972 0.038) 1.894 32.413 ( -2.105 0.140 0.002) 2.109 32.687 ( -1.569 -1.986 0.245) 2.542 32.716 ( -2.895 -1.943 -0.018) 3.487 36.712 ( 2.546 0.324 0.378) 2.594 36.805 ( -2.055 0.027 -0.215) 2.067 37.218 ( -0.636 -0.569 0.037) 0.854 37.220 ( -0.687 -0.475 0.002) 0.835 69.480 ( -1.068 -1.216 0.018) 1.618 69.488 ( -1.394 -1.180 -0.014) 1.826 71.194 ( 5.081 -2.070 0.133) 5.488 71.384 ( -3.817 -3.276 -0.648) 5.072 71.647 ( 2.233 6.320 -2.723) 7.235 71.783 ( -3.972 5.031 0.759) 6.455 72.275 ( 5.804 -1.166 0.300) 5.928 72.442 ( -2.559 -2.031 0.925) 3.396 ======================= Grid point 188 (41/140) ======================= q-point: (-0.50 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -10.028 4.895 -0.750) 11.185 2.874 ( 10.028 4.895 -0.750) 11.185 3.347 ( -18.710 0.383 0.673) 18.726 3.347 ( 18.710 0.383 0.673) 18.726 4.732 ( -2.543 -4.275 9.620) 10.830 4.732 ( 2.543 -4.275 9.620) 10.830 5.013 ( -4.020 21.942 -4.870) 22.833 5.013 ( 4.020 21.942 -4.870) 22.833 6.746 ( -8.064 -5.136 -16.818) 19.346 6.746 ( 8.064 -5.136 -16.818) 19.346 8.154 ( -3.668 -12.260 7.757) 14.965 8.154 ( 3.668 -12.260 7.757) 14.965 9.830 ( -20.020 15.324 -29.110) 38.510 9.830 ( 20.020 15.324 -29.110) 38.510 11.025 ( -20.925 4.074 26.516) 34.023 11.025 ( 20.925 4.074 26.516) 34.023 12.647 ( -6.373 2.048 0.727) 6.733 12.647 ( 6.373 2.048 0.727) 6.733 32.302 ( -2.129 -0.715 0.034) 2.246 32.302 ( 2.129 -0.715 0.034) 2.246 32.374 ( -1.828 -0.212 0.205) 1.852 32.374 ( 1.828 -0.212 0.205) 1.852 32.679 ( -0.777 -1.953 0.023) 2.102 32.679 ( 0.777 -1.953 0.023) 2.102 36.761 ( -2.368 0.150 0.086) 2.374 36.761 ( 2.368 0.150 0.086) 2.374 37.212 ( -0.060 -0.514 0.036) 0.518 37.212 ( 0.060 -0.514 0.036) 0.518 69.471 ( -0.234 -1.179 0.004) 1.202 69.471 ( 0.234 -1.179 0.004) 1.202 71.294 ( -5.009 -2.485 0.000) 5.591 71.294 ( 5.009 -2.485 0.000) 5.591 71.707 ( -3.623 5.424 -1.387) 6.669 71.707 ( 3.623 5.424 -1.387) 6.669 72.375 ( -4.272 -1.548 0.721) 4.601 72.375 ( 4.272 -1.548 0.721) 4.601 ======================= Grid point 197 (42/140) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 17.587 17.587 14.411) 28.745 1.973 ( 17.592 17.592 6.632) 25.748 3.143 ( 27.295 27.295 14.200) 41.130 3.496 ( 3.443 3.443 -6.791) 8.356 3.539 ( 7.769 7.769 -2.074) 11.181 4.495 ( -6.988 -6.988 14.342) 17.417 5.377 ( 5.459 5.459 -3.537) 8.492 6.173 ( 17.538 17.538 -2.144) 24.895 6.375 ( 12.309 12.309 5.587) 18.282 6.422 ( 2.775 2.775 -23.666) 23.989 7.761 ( -5.516 -5.516 1.965) 8.045 7.882 ( -8.770 -8.770 -6.292) 13.908 8.802 ( 16.304 16.304 13.105) 26.522 9.875 ( 16.296 16.296 5.180) 23.621 10.434 ( 25.728 25.728 12.053) 38.330 11.199 ( -7.051 -7.051 -16.292) 19.101 11.940 ( 6.677 6.677 -6.251) 11.324 12.086 ( -5.761 -5.761 4.052) 9.100 32.212 ( 0.925 0.925 0.929) 1.605 32.286 ( -0.408 -0.408 -0.737) 0.936 32.452 ( -2.088 -2.088 -0.409) 2.981 32.510 ( -0.759 -0.759 -1.040) 1.495 32.836 ( -3.730 -3.730 2.063) 5.664 32.898 ( -3.543 -3.543 0.089) 5.011 36.599 ( 1.517 1.517 0.951) 2.347 36.884 ( -0.600 -0.600 -0.938) 1.265 37.268 ( -0.916 -0.916 -0.237) 1.317 37.273 ( -1.292 -1.292 0.038) 1.827 69.580 ( -2.598 -2.598 -0.044) 3.675 69.583 ( -2.123 -2.123 -0.021) 3.003 70.955 ( 1.069 1.069 0.401) 1.564 71.387 ( 0.890 0.890 -7.290) 7.398 71.809 ( 1.391 1.391 0.147) 1.973 71.864 ( 3.222 3.222 -1.067) 4.680 72.047 ( 0.914 0.914 7.628) 7.736 72.444 ( -2.143 -2.143 -0.462) 3.066 ======================= Grid point 198 (43/140) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 18.350 10.905 13.288) 25.144 2.290 ( 15.978 15.643 4.765) 22.863 3.413 ( -4.345 10.618 -5.286) 12.631 3.706 ( 23.852 8.458 3.277) 25.519 3.823 ( 15.519 2.534 0.885) 15.749 4.358 ( -5.492 -7.718 16.934) 19.403 5.392 ( -1.989 12.224 -2.715) 12.679 6.115 ( -10.002 35.425 3.886) 37.014 6.456 ( 1.030 -0.867 -15.263) 15.322 6.867 ( 20.068 -4.740 -11.353) 23.539 7.666 ( -2.960 -10.298 7.339) 12.988 7.798 ( 0.190 -17.232 -4.074) 17.708 9.144 ( 18.001 24.833 1.384) 30.703 10.180 ( 15.112 21.223 10.265) 28.003 11.026 ( -4.264 3.455 -15.592) 16.530 11.099 ( 32.722 11.258 5.183) 34.991 11.942 ( -8.790 -4.271 8.727) 13.102 12.129 ( 12.617 4.880 -5.173) 14.483 32.228 ( 0.691 1.133 0.685) 1.493 32.284 ( 0.329 -1.379 -0.139) 1.424 32.407 ( -2.363 -2.132 -0.177) 3.188 32.489 ( -1.380 -0.383 -0.898) 1.690 32.757 ( -4.125 -3.567 1.250) 5.595 32.819 ( -4.363 -3.530 0.038) 5.612 36.634 ( 2.000 1.250 0.790) 2.488 36.866 ( -1.173 -0.450 -0.692) 1.435 37.245 ( -1.416 -1.183 0.028) 1.845 37.247 ( -1.115 -0.839 -0.239) 1.416 69.526 ( -2.717 -2.345 -0.017) 3.589 69.537 ( -2.428 -2.086 -0.066) 3.202 70.996 ( 2.962 -0.122 0.499) 3.007 71.395 ( -0.091 -0.964 -4.421) 4.526 71.788 ( -1.647 5.873 -0.728) 6.143 71.976 ( 5.523 0.698 0.413) 5.583 72.047 ( -0.222 3.820 3.613) 5.262 72.417 ( -0.704 -4.248 0.015) 4.306 ======================= Grid point 199 (44/140) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 15.832 6.342 5.445) 17.903 2.624 ( 17.385 10.239 7.115) 21.394 3.315 ( -5.151 8.031 -4.233) 10.438 3.858 ( -5.318 -3.072 -4.294) 7.493 4.217 ( 19.212 4.343 8.080) 21.290 4.375 ( 7.773 -8.718 14.949) 18.971 5.352 ( -1.077 14.711 -3.720) 15.213 5.890 ( -11.991 31.000 0.405) 33.241 6.482 ( 1.990 -1.713 -11.835) 12.123 6.992 ( -4.740 -2.486 -17.902) 18.685 7.723 ( 6.289 -12.848 10.468) 17.725 7.826 ( 2.078 -19.915 4.511) 20.525 9.507 ( 18.706 26.541 -11.923) 34.591 10.481 ( 15.163 20.615 16.379) 30.384 10.823 ( -11.508 10.239 -20.239) 25.435 11.699 ( -4.557 -0.085 12.465) 13.272 11.871 ( 27.555 5.989 5.227) 28.678 12.416 ( 15.283 3.635 -3.108) 16.014 32.241 ( 0.658 0.433 0.426) 0.895 32.299 ( 1.129 -1.230 0.168) 1.679 32.361 ( -2.305 -2.021 0.023) 3.065 32.457 ( -1.921 -0.086 -0.614) 2.019 32.681 ( -3.396 -3.606 0.632) 4.994 32.733 ( -4.162 -3.492 -0.016) 5.433 36.676 ( 2.238 0.903 0.585) 2.484 36.839 ( -1.595 -0.326 -0.413) 1.680 37.219 ( -1.132 -1.089 0.036) 1.572 37.226 ( -1.058 -0.760 -0.207) 1.319 69.478 ( -2.084 -2.137 0.003) 2.985 69.491 ( -2.147 -2.032 -0.072) 2.957 71.068 ( 4.182 -0.869 0.494) 4.300 71.380 ( -1.572 -1.962 -2.165) 3.318 71.766 ( -0.364 6.612 -1.517) 6.794 71.977 ( -3.167 6.515 2.340) 7.613 72.129 ( 6.281 -1.028 -0.526) 6.386 72.408 ( -0.543 -4.417 0.700) 4.505 ======================= Grid point 200 (45/140) ======================= q-point: ( 0.42 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 13.149 3.600 -0.869) 13.661 2.934 ( 11.844 3.826 6.637) 14.106 3.230 ( -1.659 6.930 -1.790) 7.348 3.653 ( -13.355 -1.383 1.587) 13.520 4.504 ( 9.902 -5.317 7.070) 13.278 4.548 ( 7.192 -7.095 9.890) 14.138 5.372 ( 3.291 17.035 -5.348) 18.156 5.663 ( -10.683 25.289 -3.835) 27.719 6.544 ( 4.482 -1.641 -10.912) 11.910 6.832 ( -9.321 -1.890 -13.697) 16.675 7.812 ( 2.820 -14.523 5.805) 15.892 7.864 ( 1.011 -18.237 10.976) 21.309 9.876 ( 18.423 25.551 -20.724) 37.706 10.534 ( -13.667 20.027 -22.233) 32.897 10.824 ( 15.454 13.152 19.755) 28.321 11.454 ( -14.734 2.870 18.525) 23.844 12.427 ( 22.288 5.054 1.662) 22.914 12.669 ( 8.662 3.427 -1.244) 9.398 32.257 ( 1.018 -0.527 0.306) 1.186 32.316 ( -1.608 -1.617 0.039) 2.281 32.330 ( 1.377 -0.817 0.297) 1.628 32.414 ( -2.309 -0.053 -0.257) 2.324 32.631 ( -1.515 -3.586 0.191) 3.898 32.662 ( -2.887 -3.457 -0.055) 4.504 36.721 ( 2.258 0.516 0.355) 2.343 36.804 ( -1.899 -0.143 -0.142) 1.909 37.202 ( -0.542 -0.967 0.012) 1.108 37.208 ( -0.725 -0.767 -0.129) 1.063 69.447 ( -0.991 -2.010 0.002) 2.241 69.456 ( -1.368 -1.982 -0.050) 2.408 71.157 ( 4.743 -1.343 0.394) 4.946 71.330 ( -3.425 -2.075 -0.631) 4.054 71.780 ( 1.765 6.690 -1.759) 7.139 71.904 ( -3.888 6.689 0.243) 7.741 72.245 ( 5.300 -1.713 0.114) 5.572 72.386 ( -1.794 -3.517 0.886) 4.047 ======================= Grid point 201 (46/140) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -7.564 2.421 -1.532) 8.089 2.953 ( 7.564 2.421 -1.532) 8.089 3.375 ( -13.747 2.508 4.198) 14.591 3.375 ( 13.747 2.508 4.198) 14.591 4.612 ( -1.048 -7.627 7.895) 11.027 4.612 ( 1.048 -7.627 7.895) 11.027 5.481 ( -7.544 20.358 -5.959) 22.514 5.481 ( 7.544 20.358 -5.959) 22.514 6.662 ( -7.472 -1.537 -11.311) 13.643 6.662 ( 7.472 -1.537 -11.311) 13.643 7.855 ( -1.617 -16.217 8.701) 18.475 7.855 ( 1.617 -16.217 8.701) 18.475 10.226 ( -16.923 23.337 -24.159) 37.612 10.226 ( 16.923 23.337 -24.159) 37.612 11.145 ( -16.321 8.293 21.400) 28.163 11.145 ( 16.321 8.293 21.400) 28.163 12.706 ( -5.773 3.928 0.199) 6.986 12.706 ( 5.773 3.928 0.199) 6.986 32.282 ( -1.527 -1.248 0.226) 1.985 32.282 ( 1.527 -1.248 0.226) 1.985 32.369 ( -2.238 -0.301 0.038) 2.259 32.369 ( 2.238 -0.301 0.038) 2.259 32.624 ( -0.827 -3.486 -0.021) 3.583 32.624 ( 0.827 -3.486 -0.021) 3.583 36.764 ( -2.124 0.146 0.112) 2.132 36.764 ( 2.124 0.146 0.112) 2.132 37.199 ( -0.147 -0.847 -0.046) 0.861 37.199 ( 0.147 -0.847 -0.046) 0.861 69.440 ( -0.249 -1.965 -0.019) 1.981 69.440 ( 0.249 -1.965 -0.019) 1.981 71.250 ( -4.554 -1.736 0.105) 4.875 71.250 ( 4.554 -1.736 0.105) 4.875 71.831 ( -3.324 6.605 -1.129) 7.480 71.831 ( 3.324 6.605 -1.129) 7.480 72.333 ( -3.600 -2.524 0.631) 4.442 72.333 ( 3.600 -2.524 0.631) 4.442 ======================= Grid point 211 (47/140) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 13.008 13.008 16.972) 25.030 2.548 ( 11.612 11.612 3.951) 16.891 3.530 ( -1.842 -1.842 -8.087) 8.496 3.780 ( 7.252 7.252 -3.946) 10.989 4.078 ( 15.572 15.572 6.374) 22.927 4.193 ( -8.102 -8.102 17.627) 21.024 5.511 ( 1.271 1.271 1.616) 2.417 6.414 ( -2.466 -2.466 -5.855) 6.815 6.597 ( -2.872 -2.872 -7.560) 8.582 6.869 ( 16.769 16.769 -1.000) 23.736 7.513 ( -9.744 -9.744 4.108) 14.379 7.534 ( -3.699 -3.699 -5.917) 7.899 9.613 ( 21.976 21.976 -0.061) 31.079 10.592 ( 18.929 18.929 3.866) 27.047 11.076 ( 1.663 1.663 -15.874) 16.047 11.468 ( 25.533 25.533 8.218) 37.033 11.841 ( -5.793 -5.793 10.505) 13.322 12.272 ( 10.001 10.001 -5.673) 15.239 32.253 ( 1.070 1.070 0.543) 1.607 32.260 ( -0.752 -0.752 0.131) 1.071 32.363 ( -2.291 -2.291 0.047) 3.240 32.476 ( -0.950 -0.950 -0.912) 1.623 32.679 ( -4.210 -4.210 0.876) 6.017 32.740 ( -4.321 -4.321 -0.011) 6.110 36.663 ( 1.616 1.616 0.658) 2.378 36.852 ( -1.002 -1.002 -0.479) 1.495 37.220 ( -1.305 -1.305 0.035) 1.845 37.229 ( -1.009 -1.009 -0.332) 1.464 69.477 ( -2.476 -2.476 -0.008) 3.501 69.492 ( -2.369 -2.369 -0.107) 3.352 71.015 ( 1.958 1.958 0.700) 2.856 71.376 ( -1.020 -1.020 -2.735) 3.092 71.869 ( 1.606 1.606 0.322) 2.293 72.010 ( 3.915 3.915 -1.748) 5.806 72.119 ( 2.355 2.355 3.327) 4.708 72.338 ( -3.230 -3.230 -0.243) 4.575 ======================= Grid point 212 (48/140) ======================= q-point: ( 0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 11.076 8.694 13.042) 19.193 2.785 ( 12.502 6.125 5.898) 15.120 3.427 ( -6.484 1.755 -6.467) 9.324 3.842 ( -5.967 2.519 2.263) 6.861 4.147 ( 6.691 -10.968 11.246) 17.074 4.339 ( 9.833 4.405 3.905) 11.461 5.509 ( -0.012 2.058 1.394) 2.486 6.250 ( -15.096 3.716 -3.876) 16.023 6.478 ( -1.035 -2.902 -6.071) 6.808 7.061 ( -4.587 10.248 -5.067) 12.318 7.450 ( 6.407 -13.193 10.901) 18.274 7.548 ( 2.546 -6.226 -4.680) 8.194 10.011 ( 18.719 23.179 -6.199) 30.432 10.904 ( 12.626 19.567 5.145) 23.848 11.068 ( -2.479 14.806 -14.996) 21.219 11.705 ( -6.973 0.882 13.030) 14.805 12.048 ( 29.507 12.602 4.235) 32.364 12.517 ( 13.840 6.891 -4.509) 16.105 32.244 ( -0.429 -0.314 0.356) 0.640 32.283 ( 1.589 -0.121 0.273) 1.617 32.319 ( -2.084 -2.112 0.232) 2.977 32.451 ( -1.613 -0.441 -0.747) 1.831 32.600 ( -3.504 -4.439 0.501) 5.677 32.655 ( -4.094 -4.239 -0.066) 5.893 36.697 ( 1.773 1.110 0.503) 2.151 36.828 ( -1.384 -0.763 -0.234) 1.598 37.196 ( -0.997 -1.162 0.002) 1.531 37.209 ( -1.005 -0.914 -0.338) 1.400 69.433 ( -1.917 -2.282 0.001) 2.980 69.448 ( -2.077 -2.290 -0.103) 3.093 71.069 ( 3.490 1.079 0.727) 3.725 71.350 ( -1.764 -1.190 -1.425) 2.560 71.878 ( 0.203 4.309 -0.195) 4.318 72.095 ( 0.412 4.406 0.520) 4.456 72.128 ( 2.224 2.208 -0.384) 3.157 72.309 ( 0.089 -5.417 0.548) 5.445 ======================= Grid point 213 (49/140) ======================= q-point: ( 0.42 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 9.824 3.721 4.575) 11.458 2.996 ( 6.582 1.842 6.904) 9.715 3.328 ( -1.554 2.343 -1.552) 3.212 3.647 ( -11.470 0.679 8.206) 14.119 4.323 ( 8.558 -10.329 5.325) 14.432 4.459 ( 2.487 -3.818 3.565) 5.786 5.547 ( 4.287 1.498 -2.121) 5.012 5.937 ( -15.013 2.722 -6.973) 16.776 6.525 ( 5.058 -4.500 -0.863) 6.824 6.872 ( -11.182 2.114 0.677) 11.400 7.578 ( 4.223 -6.415 4.466) 8.884 7.600 ( 2.365 -4.908 1.802) 5.738 10.362 ( 16.877 21.914 -12.537) 30.368 10.911 ( -9.424 15.695 -17.172) 25.100 11.170 ( 10.785 22.114 10.339) 26.688 11.552 ( -8.410 7.889 14.496) 18.523 12.554 ( 20.109 8.004 1.081) 21.670 12.756 ( 8.661 5.592 -2.647) 10.644 32.242 ( 0.291 -0.898 0.420) 1.033 32.282 ( -1.624 -1.778 0.321) 2.429 32.319 ( 1.963 -0.299 0.116) 1.989 32.411 ( -2.396 -0.249 -0.395) 2.441 32.551 ( -1.360 -4.420 0.101) 4.625 32.585 ( -2.852 -4.145 -0.114) 5.033 36.732 ( 1.774 0.544 0.339) 1.886 36.798 ( -1.586 -0.439 -0.014) 1.646 37.182 ( -0.406 -1.018 -0.068) 1.098 37.191 ( -0.753 -0.871 -0.273) 1.183 69.405 ( -0.916 -2.176 -0.004) 2.361 69.414 ( -1.313 -2.209 -0.069) 2.571 71.147 ( 4.227 0.384 0.598) 4.287 71.302 ( -3.085 -0.821 -0.395) 3.216 71.896 ( 1.806 4.734 -0.645) 5.108 72.029 ( -4.287 5.453 -0.054) 6.937 72.217 ( 4.341 -0.754 -0.379) 4.423 72.312 ( -0.383 -3.717 0.762) 3.813 ======================= Grid point 214 (50/140) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -6.776 0.465 0.787) 6.837 2.976 ( 6.776 0.465 0.787) 6.837 3.428 ( -9.904 2.087 8.018) 12.912 3.428 ( 9.904 2.087 8.018) 12.912 4.447 ( -3.592 -8.635 4.152) 10.232 4.447 ( 3.592 -8.635 4.152) 10.232 5.687 ( -10.014 1.396 -5.879) 11.696 5.687 ( 10.014 1.396 -5.879) 11.696 6.667 ( -9.119 -2.416 1.540) 9.559 6.667 ( 9.119 -2.416 1.540) 9.559 7.621 ( -0.545 -4.234 3.500) 5.520 7.621 ( 0.545 -4.234 3.500) 5.520 10.672 ( -14.296 19.565 -16.528) 29.331 10.672 ( 14.296 19.565 -16.528) 29.331 11.374 ( -9.728 15.525 13.651) 22.848 11.374 ( 9.728 15.525 13.651) 22.848 12.803 ( -4.812 6.025 -0.899) 7.763 12.803 ( 4.812 6.025 -0.899) 7.763 32.255 ( -1.008 -1.388 0.409) 1.764 32.255 ( 1.008 -1.388 0.409) 1.764 32.362 ( -2.425 -0.355 -0.100) 2.453 32.362 ( 2.425 -0.355 -0.100) 2.453 32.547 ( -0.940 -4.169 -0.104) 4.275 32.547 ( 0.940 -4.169 -0.104) 4.275 36.766 ( -1.699 0.003 0.172) 1.708 36.766 ( 1.699 0.003 0.172) 1.708 37.181 ( -0.247 -0.909 -0.169) 0.957 37.181 ( 0.247 -0.909 -0.169) 0.957 69.398 ( -0.245 -2.159 -0.030) 2.173 69.398 ( 0.245 -2.159 -0.030) 2.173 71.230 ( -4.083 -0.232 0.262) 4.098 71.230 ( 4.083 -0.232 0.262) 4.098 71.949 ( -3.519 4.910 -0.620) 6.072 71.949 ( 3.519 4.910 -0.620) 6.072 72.285 ( -2.410 -2.058 0.318) 3.185 72.285 ( 2.410 -2.058 0.318) 3.185 ======================= Grid point 225 (51/140) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 8.250 8.250 19.817) 22.996 2.893 ( 5.821 5.821 2.620) 8.639 3.386 ( -4.344 -4.344 -5.594) 8.308 3.864 ( -8.566 -8.566 18.178) 21.845 4.010 ( 4.537 4.537 -2.931) 7.054 4.399 ( 1.041 1.041 0.123) 1.477 5.503 ( -0.959 -0.959 4.205) 4.418 6.243 ( -12.209 -12.209 -9.427) 19.671 6.256 ( -4.977 -4.977 4.095) 8.143 7.047 ( -14.562 -14.562 14.754) 25.334 7.444 ( 11.960 11.960 -2.719) 17.131 7.562 ( 4.801 4.801 -7.407) 10.048 10.407 ( 17.311 17.311 -4.933) 24.974 11.137 ( 4.247 4.247 -9.326) 11.092 11.387 ( 14.798 14.798 -1.145) 20.959 11.738 ( 2.224 2.224 11.605) 12.023 12.376 ( 19.803 19.803 2.259) 28.096 12.694 ( 10.724 10.724 -4.996) 15.968 32.232 ( -0.613 -0.613 0.468) 0.985 32.280 ( -1.832 -1.832 0.375) 2.618 32.293 ( 0.927 0.927 0.124) 1.317 32.439 ( -0.883 -0.883 -0.776) 1.470 32.514 ( -3.952 -3.952 0.378) 5.602 32.573 ( -3.950 -3.950 -0.129) 5.587 36.719 ( 1.162 1.162 0.418) 1.696 36.810 ( -1.062 -1.062 -0.033) 1.502 37.176 ( -0.852 -0.852 -0.074) 1.207 37.191 ( -0.908 -0.908 -0.406) 1.347 69.392 ( -1.794 -1.794 0.005) 2.538 69.405 ( -1.980 -1.980 -0.093) 2.802 71.108 ( 2.678 2.678 0.793) 3.870 71.327 ( -1.302 -1.302 -0.755) 1.991 71.930 ( 1.388 1.388 0.644) 2.067 72.157 ( 3.382 3.382 -1.494) 5.010 72.196 ( -3.796 -3.796 0.204) 5.372 72.212 ( 2.168 2.168 0.814) 3.172 ======================= Grid point 226 (52/140) ======================= q-point: ( 0.42 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 5.027 5.982 12.599) 14.825 3.010 ( 3.768 0.083 7.427) 8.329 3.325 ( 0.277 -2.003 0.267) 2.040 3.642 ( -11.536 -2.690 14.491) 18.716 4.159 ( 7.846 -4.977 -0.393) 9.300 4.378 ( -2.897 -4.375 -0.444) 5.266 5.518 ( 3.204 -2.358 2.959) 4.958 5.906 ( -16.010 -3.389 -4.027) 16.853 6.302 ( 5.375 -15.261 5.620) 17.128 6.735 ( -15.435 -14.581 14.257) 25.575 7.636 ( 6.378 9.052 -2.905) 11.448 7.659 ( 4.035 7.460 -5.004) 9.847 10.711 ( 13.812 13.926 -6.765) 20.748 11.115 ( -5.427 5.242 -9.720) 12.305 11.610 ( 8.216 19.836 3.130) 21.698 11.766 ( -0.040 12.237 8.489) 14.893 12.750 ( 15.925 11.773 -0.529) 19.811 12.894 ( 7.893 8.331 -4.043) 12.168 32.225 ( -0.079 -0.788 0.543) 0.960 32.249 ( -1.285 -1.487 0.481) 2.024 32.317 ( 1.500 0.072 -0.028) 1.502 32.405 ( -2.628 -0.367 -0.377) 2.680 32.464 ( -0.859 -4.134 -0.066) 4.223 32.506 ( -2.712 -3.719 -0.204) 4.608 36.742 ( 1.150 0.494 0.339) 1.297 36.787 ( -1.160 -0.649 0.134) 1.336 37.164 ( -0.300 -0.747 -0.183) 0.826 37.174 ( -0.702 -0.796 -0.389) 1.130 69.365 ( -0.884 -1.751 0.002) 1.961 69.373 ( -1.225 -1.873 -0.057) 2.239 71.170 ( 3.455 1.806 0.687) 3.959 71.293 ( -2.266 -0.323 -0.117) 2.292 71.957 ( 1.781 1.517 0.521) 2.397 72.093 ( -4.933 0.353 0.258) 4.952 72.225 ( 3.034 1.564 -1.028) 3.565 72.263 ( 1.480 -0.484 0.171) 1.566 ======================= Grid point 227 (53/140) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -4.008 1.663 6.947) 8.191 2.993 ( 4.008 1.663 6.947) 8.191 3.433 ( -9.209 -1.939 10.455) 14.067 3.433 ( 9.209 -1.939 10.455) 14.067 4.294 ( -5.607 -6.376 -0.093) 8.492 4.294 ( 5.607 -6.376 -0.093) 8.492 5.646 ( -9.923 -3.198 -0.741) 10.452 5.646 ( 9.923 -3.198 -0.741) 10.452 6.467 ( -11.282 -15.634 10.799) 22.098 6.467 ( 11.282 -15.634 10.799) 22.098 7.699 ( -0.347 8.717 -3.366) 9.351 7.699 ( 0.347 8.717 -3.366) 9.351 10.953 ( -10.544 9.470 -8.543) 16.548 10.953 ( 10.544 9.470 -8.543) 16.548 11.727 ( -3.914 18.004 5.766) 19.305 11.727 ( 3.914 18.004 5.766) 19.305 12.947 ( -3.467 8.547 -2.506) 9.558 12.947 ( 3.467 8.547 -2.506) 9.558 32.230 ( -0.604 -1.114 0.543) 1.378 32.230 ( 0.604 -1.114 0.543) 1.378 32.354 ( -2.295 -0.533 -0.130) 2.360 32.354 ( 2.295 -0.533 -0.130) 2.360 32.468 ( -1.086 -3.586 -0.256) 3.756 32.468 ( 1.086 -3.586 -0.256) 3.756 36.765 ( -1.153 -0.130 0.253) 1.188 36.765 ( 1.153 -0.130 0.253) 1.188 37.164 ( -0.277 -0.728 -0.302) 0.835 37.164 ( 0.277 -0.728 -0.302) 0.835 69.358 ( -0.201 -1.785 -0.020) 1.796 69.358 ( 0.201 -1.785 -0.020) 1.796 71.237 ( -3.252 0.807 0.388) 3.373 71.237 ( 3.252 0.807 0.388) 3.373 72.009 ( -3.525 0.949 0.313) 3.664 72.009 ( 3.525 0.949 0.313) 3.664 72.267 ( -1.037 0.446 -0.405) 1.199 72.267 ( 1.037 0.446 -0.405) 1.199 ======================= Grid point 239 (54/140) ======================= q-point: ( 0.42 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 1.675 1.675 7.316) 7.690 3.018 ( 4.073 4.073 22.686) 23.406 3.286 ( -0.513 -0.513 1.019) 1.251 3.523 ( -8.444 -8.444 14.839) 19.047 4.140 ( 2.104 2.104 -2.729) 4.037 4.290 ( -4.492 -4.492 -2.025) 6.668 5.507 ( 1.949 1.949 6.436) 7.002 5.803 ( -8.787 -8.787 3.812) 12.999 6.078 ( -3.464 -3.464 5.285) 7.206 6.417 ( -15.755 -15.755 14.095) 26.365 7.796 ( 5.808 5.808 -5.152) 9.696 7.801 ( 5.734 5.734 -4.065) 9.071 10.935 ( 9.162 9.162 -5.698) 14.155 11.147 ( -1.282 -1.282 -6.746) 6.986 11.900 ( 9.598 9.598 2.476) 13.798 11.958 ( 6.225 6.225 4.850) 10.050 12.987 ( 10.741 10.741 -2.522) 15.398 13.058 ( 6.981 6.981 -4.475) 10.839 32.214 ( -0.318 -0.318 0.622) 0.768 32.225 ( -0.916 -0.916 0.579) 1.419 32.322 ( 0.484 0.484 -0.080) 0.690 32.383 ( -2.522 -2.522 0.139) 3.570 32.410 ( -0.536 -0.536 -0.659) 1.005 32.445 ( -2.322 -2.322 -0.337) 3.301 36.751 ( 0.488 0.488 0.344) 0.770 36.774 ( -0.671 -0.671 0.256) 0.983 37.154 ( -0.290 -0.290 -0.308) 0.513 37.161 ( -0.562 -0.562 -0.437) 0.908 69.338 ( -0.913 -0.913 0.007) 1.291 69.343 ( -1.112 -1.112 -0.027) 1.573 71.212 ( 2.355 2.355 0.639) 3.391 71.283 ( -0.852 -0.852 0.179) 1.219 71.974 ( 0.799 0.799 0.971) 1.490 72.056 ( -3.002 -3.002 0.782) 4.318 72.265 ( 1.974 1.974 -1.119) 3.008 72.280 ( 1.233 1.233 -0.539) 1.826 ======================= Grid point 240 (55/140) ======================= q-point: (-0.50 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -1.251 3.569 15.707) 16.156 3.046 ( 1.251 3.569 15.707) 16.156 3.357 ( -7.270 -5.112 8.809) 12.513 3.357 ( 7.270 -5.112 8.809) 12.513 4.205 ( -3.987 -2.648 -2.373) 5.342 4.205 ( 3.987 -2.648 -2.373) 5.342 5.610 ( -8.443 -0.150 7.029) 10.987 5.610 ( 8.443 -0.150 7.029) 10.987 6.159 ( -9.655 -13.560 9.207) 19.023 6.159 ( 9.655 -13.560 9.207) 19.023 7.856 ( -0.224 6.014 -4.435) 7.476 7.856 ( 0.224 6.014 -4.435) 7.476 11.079 ( -5.478 3.903 -5.984) 9.003 11.079 ( 5.478 3.903 -5.984) 9.003 12.005 ( -1.387 9.324 3.252) 9.972 12.005 ( 1.387 9.324 3.252) 9.972 13.118 ( -1.753 7.652 -3.852) 8.744 13.118 ( 1.753 7.652 -3.852) 8.744 32.213 ( -0.270 -0.580 0.634) 0.900 32.213 ( 0.270 -0.580 0.634) 0.900 32.340 ( -1.512 -0.798 -0.020) 1.710 32.340 ( 1.512 -0.798 -0.020) 1.710 32.415 ( -0.829 -1.701 -0.498) 1.957 32.415 ( 0.829 -1.701 -0.498) 1.957 36.762 ( -0.572 -0.127 0.324) 0.670 36.762 ( 0.572 -0.127 0.324) 0.670 37.153 ( -0.185 -0.396 -0.404) 0.595 37.153 ( 0.185 -0.396 -0.404) 0.595 69.330 ( -0.114 -0.998 -0.002) 1.004 69.330 ( 0.114 -0.998 -0.002) 1.004 71.256 ( -1.874 0.858 0.456) 2.111 71.256 ( 1.874 0.858 0.456) 2.111 72.002 ( -2.160 -0.958 0.957) 2.549 72.002 ( 2.160 -0.958 0.957) 2.549 72.290 ( -0.402 1.346 -0.881) 1.658 72.290 ( 0.402 1.346 -0.881) 1.658 ======================= Grid point 259 (56/140) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( -0.000 -0.000 24.299) 24.299 3.099 ( 0.000 0.000 24.299) 24.299 3.285 ( -0.000 -0.000 2.802) 2.802 3.285 ( 0.000 0.000 2.802) 2.802 4.181 ( 0.000 0.000 -2.756) 2.756 4.181 ( 0.000 0.000 -2.756) 2.756 5.620 ( 0.000 0.000 12.741) 12.741 5.620 ( 0.000 0.000 12.741) 12.741 6.008 ( 0.000 0.000 5.180) 5.180 6.008 ( 0.000 0.000 5.180) 5.180 7.917 ( 0.000 0.000 -4.409) 4.409 7.917 ( 0.000 0.000 -4.409) 4.409 11.117 ( -0.000 -0.000 -5.635) 5.635 11.117 ( 0.000 0.000 -5.635) 5.635 12.094 ( 0.000 0.000 2.818) 2.818 12.094 ( 0.000 0.000 2.818) 2.818 13.201 ( 0.000 0.000 -4.277) 4.277 13.201 ( 0.000 0.000 -4.277) 4.277 32.207 ( 0.000 0.000 0.671) 0.671 32.207 ( 0.000 0.000 0.671) 0.671 32.330 ( -0.000 -0.000 0.040) 0.040 32.330 ( 0.000 0.000 0.040) 0.040 32.399 ( 0.000 0.000 -0.612) 0.612 32.399 ( 0.000 0.000 -0.612) 0.612 36.760 ( 0.000 0.000 0.352) 0.352 36.760 ( 0.000 0.000 0.352) 0.352 37.149 ( 0.000 0.000 -0.442) 0.442 37.149 ( 0.000 0.000 -0.442) 0.442 69.320 ( 0.000 0.000 0.007) 0.007 69.320 ( 0.000 0.000 0.007) 0.007 71.265 ( 0.000 0.000 0.475) 0.475 71.265 ( 0.000 0.000 0.475) 0.475 71.990 ( 0.000 0.000 1.109) 1.109 71.990 ( 0.000 0.000 1.109) 1.109 72.305 ( 0.000 0.000 -0.967) 0.967 72.305 ( 0.000 0.000 -0.967) 0.967 ======================= Grid point 338 (57/140) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.000 0.000 25.840) 25.840 1.061 ( 0.000 0.000 25.840) 25.840 2.446 ( 0.000 0.000 59.932) 59.932 3.008 ( 0.000 0.000 -11.658) 11.658 3.008 ( -0.000 -0.000 -11.658) 11.658 4.748 ( -0.000 -0.000 -9.050) 9.050 4.748 ( 0.000 0.000 -9.050) 9.050 5.058 ( -0.000 -0.000 13.604) 13.604 5.983 ( 0.000 0.000 15.587) 15.587 5.983 ( -0.000 -0.000 15.587) 15.587 8.079 ( 0.000 0.000 -10.306) 10.306 8.096 ( 0.000 0.000 37.694) 37.694 9.055 ( 0.000 0.000 -15.377) 15.377 9.397 ( 0.000 0.000 14.186) 14.186 9.397 ( 0.000 0.000 14.186) 14.186 11.481 ( 0.000 0.000 -13.498) 13.498 11.481 ( 0.000 0.000 -13.498) 13.498 11.952 ( 0.000 0.000 -23.535) 23.535 32.206 ( 0.000 0.000 2.298) 2.298 32.206 ( 0.000 -0.000 2.298) 2.298 32.509 ( 0.000 0.000 -2.234) 2.234 32.509 ( 0.000 -0.000 -2.234) 2.234 33.054 ( 0.000 0.000 0.423) 0.423 33.136 ( 0.000 0.000 -0.825) 0.825 36.566 ( 0.000 0.000 2.333) 2.333 36.871 ( 0.000 0.000 -2.280) 2.280 37.317 ( 0.000 0.000 0.246) 0.246 37.332 ( 0.000 0.000 0.022) 0.022 69.682 ( -0.000 -0.000 0.317) 0.317 69.707 ( 0.000 0.000 -0.047) 0.047 70.918 ( 0.000 0.000 -0.117) 0.117 70.918 ( 0.000 0.000 -0.117) 0.117 71.752 ( -0.000 -0.000 0.197) 0.197 71.752 ( 0.000 0.000 0.197) 0.197 72.370 ( 0.000 0.000 1.161) 1.161 72.512 ( -0.000 -0.000 -0.974) 0.974 ======================= Grid point 339 (58/140) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 9.976 0.000 21.683) 23.868 1.325 ( 20.930 0.000 23.157) 31.214 2.660 ( 21.585 0.000 52.047) 56.346 3.009 ( 0.150 0.000 -11.402) 11.403 3.145 ( 12.736 0.000 -10.230) 16.336 4.728 ( -1.995 0.000 -9.155) 9.370 4.992 ( 4.869 0.000 3.162) 5.806 5.105 ( 20.503 0.000 -4.355) 20.961 5.893 ( -8.643 0.000 15.494) 17.742 6.157 ( 14.859 0.000 11.083) 18.537 8.024 ( -5.224 0.000 -10.804) 12.001 8.133 ( 3.479 0.000 30.443) 30.641 8.891 ( -10.216 0.000 -10.084) 14.355 9.500 ( 10.185 0.000 18.192) 20.849 9.636 ( 20.910 0.000 14.225) 25.290 11.296 ( -15.944 0.000 -19.950) 25.538 11.533 ( 5.167 0.000 -12.317) 13.356 12.039 ( 6.127 0.000 -16.182) 17.303 32.208 ( 0.199 0.000 2.213) 2.222 32.237 ( 2.527 0.000 0.992) 2.715 32.500 ( -0.864 0.000 -2.165) 2.331 32.505 ( -0.405 0.000 -2.127) 2.165 33.034 ( -2.030 0.000 0.390) 2.067 33.084 ( -4.658 0.000 0.791) 4.725 36.575 ( 0.824 0.000 2.259) 2.404 36.868 ( -0.245 0.000 -2.192) 2.206 37.308 ( -0.872 0.000 0.231) 0.902 37.324 ( -0.810 0.000 0.019) 0.810 69.668 ( -1.337 0.000 0.255) 1.361 69.687 ( -1.883 0.000 -0.021) 1.883 70.931 ( 1.373 0.000 -0.114) 1.378 71.002 ( 7.062 0.000 -3.720) 7.981 71.737 ( -1.495 0.000 0.190) 1.506 71.786 ( 3.392 0.000 0.171) 3.397 72.301 ( -6.323 0.000 4.125) 7.549 72.509 ( 0.141 0.000 -0.935) 0.945 ======================= Grid point 340 (59/140) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 16.588 0.000 13.491) 21.382 1.741 ( 20.714 0.000 21.769) 30.049 3.013 ( 0.251 0.000 -10.554) 10.557 3.225 ( 32.102 0.000 33.160) 46.153 3.459 ( 18.401 0.000 -4.753) 19.004 4.673 ( -3.449 0.000 -9.519) 10.125 4.942 ( -4.082 0.000 15.715) 16.237 5.656 ( 24.845 0.000 -22.207) 33.323 5.667 ( -13.591 0.000 13.826) 19.387 6.477 ( 16.824 0.000 3.370) 17.158 7.906 ( -5.286 0.000 -9.873) 11.199 8.224 ( 5.624 0.000 15.322) 16.321 8.755 ( -3.696 0.000 -1.959) 4.183 9.779 ( 17.361 0.000 25.002) 30.438 10.198 ( 35.542 0.000 11.281) 37.290 10.922 ( -20.976 0.000 -25.934) 33.355 11.685 ( 10.532 0.000 -9.370) 14.097 12.130 ( 2.514 0.000 -7.006) 7.444 32.214 ( 0.445 0.000 1.966) 2.016 32.284 ( 1.970 0.000 0.092) 1.972 32.475 ( -1.593 0.000 -1.962) 2.527 32.492 ( -0.844 0.000 -1.762) 1.953 32.973 ( -4.626 0.000 1.056) 4.745 32.983 ( -4.613 0.000 1.169) 4.759 36.598 ( 1.524 0.000 2.041) 2.547 36.861 ( -0.526 0.000 -1.937) 2.007 37.287 ( -1.166 0.000 0.089) 1.169 37.302 ( -1.354 0.000 0.022) 1.354 69.632 ( -2.273 0.000 0.096) 2.275 69.639 ( -2.850 0.000 0.029) 2.850 70.971 ( 2.664 0.000 -0.102) 2.666 71.144 ( 6.801 0.000 -6.656) 9.516 71.694 ( -2.875 0.000 0.168) 2.879 71.880 ( 6.016 0.000 0.102) 6.017 72.158 ( -7.549 0.000 5.874) 9.566 72.519 ( 0.706 0.000 -0.262) 0.753 ======================= Grid point 341 (60/140) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 19.698 0.000 6.583) 20.769 2.152 ( 21.187 0.000 17.580) 27.530 3.017 ( 0.034 0.000 -8.911) 8.911 3.699 ( 13.444 0.000 -6.674) 15.009 3.942 ( 29.781 0.000 24.799) 38.754 4.600 ( -3.764 0.000 -10.219) 10.890 4.878 ( -1.398 0.000 18.678) 18.730 5.380 ( -15.143 0.000 9.529) 17.891 5.981 ( 9.495 0.000 -23.747) 25.575 6.752 ( 7.823 0.000 -11.626) 14.013 7.884 ( 4.356 0.000 -3.894) 5.843 8.354 ( 7.696 0.000 0.898) 7.748 8.710 ( -1.761 0.000 5.235) 5.524 10.127 ( 13.222 0.000 18.214) 22.507 10.522 ( -15.139 0.000 -18.578) 23.965 10.981 ( 41.883 0.000 6.924) 42.451 11.955 ( 16.602 0.000 -5.894) 17.617 12.128 ( -2.859 0.000 1.378) 3.174 32.226 ( 0.768 0.000 1.578) 1.755 32.314 ( 1.178 0.000 0.179) 1.191 32.439 ( -2.087 0.000 -1.632) 2.649 32.472 ( -1.221 0.000 -1.171) 1.692 32.869 ( -5.231 0.000 1.578) 5.464 32.897 ( -4.515 0.000 0.235) 4.521 36.633 ( 2.008 0.000 1.693) 2.627 36.847 ( -0.864 0.000 -1.541) 1.766 37.263 ( -1.212 0.000 -0.007) 1.212 37.273 ( -1.484 0.000 0.047) 1.484 69.579 ( -2.926 0.000 -0.008) 2.926 69.585 ( -2.578 0.000 0.071) 2.579 71.035 ( 3.795 0.000 -0.084) 3.795 71.266 ( 5.709 0.000 -6.604) 8.730 71.625 ( -4.037 0.000 0.136) 4.039 72.012 ( -5.965 0.000 5.209) 7.919 72.014 ( 6.061 0.000 -0.596) 6.090 72.530 ( 0.249 0.000 0.611) 0.660 ======================= Grid point 342 (61/140) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 19.578 0.000 2.653) 19.757 2.575 ( 21.519 0.000 12.152) 24.714 3.008 ( -1.242 0.000 -6.304) 6.426 3.815 ( -1.521 0.000 -6.510) 6.685 4.478 ( 23.340 0.000 20.338) 30.958 4.537 ( -2.195 0.000 -11.099) 11.314 4.918 ( 5.225 0.000 18.022) 18.764 5.084 ( -14.573 0.000 3.304) 14.942 6.112 ( 5.302 0.000 -24.049) 24.627 6.751 ( -6.112 0.000 -21.123) 21.990 8.050 ( 10.392 0.000 0.896) 10.431 8.533 ( 10.616 0.000 -10.640) 15.030 8.659 ( -3.783 0.000 8.249) 9.075 9.935 ( -21.887 0.000 -30.133) 37.243 10.685 ( 20.732 0.000 28.718) 35.420 11.771 ( 36.523 0.000 4.221) 36.766 12.017 ( -8.388 0.000 9.251) 12.488 12.309 ( 17.922 0.000 -2.660) 18.118 32.245 ( 1.163 0.000 1.081) 1.587 32.335 ( 0.986 0.000 0.398) 1.063 32.395 ( -2.300 0.000 -1.191) 2.590 32.445 ( -1.469 0.000 -0.501) 1.552 32.775 ( -4.111 0.000 0.943) 4.218 32.808 ( -4.291 0.000 0.080) 4.291 36.676 ( 2.235 0.000 1.239) 2.555 36.826 ( -1.250 0.000 -1.038) 1.625 37.241 ( -1.028 0.000 0.004) 1.028 37.246 ( -1.214 0.000 0.087) 1.218 69.527 ( -2.266 0.000 0.052) 2.267 69.536 ( -2.233 0.000 -0.005) 2.233 71.119 ( 4.690 0.000 -0.058) 4.690 71.376 ( 5.542 0.000 -5.474) 7.790 71.536 ( -4.900 0.000 0.096) 4.901 71.873 ( -6.957 0.000 2.161) 7.285 72.160 ( 7.333 0.000 0.335) 7.341 72.523 ( -1.067 0.000 1.124) 1.550 ======================= Grid point 343 (62/140) ======================= q-point: ( 0.42 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 16.178 0.000 1.024) 16.211 2.954 ( -4.664 0.000 -3.064) 5.581 2.991 ( 20.422 0.000 7.383) 21.716 3.669 ( -12.188 0.000 -1.073) 12.235 4.530 ( 1.847 0.000 -11.235) 11.386 4.817 ( -12.111 0.000 -3.473) 12.599 4.847 ( 14.065 0.000 14.842) 20.448 5.029 ( 4.145 0.000 14.786) 15.356 6.227 ( 6.854 0.000 -23.902) 24.865 6.582 ( -9.912 0.000 -22.871) 24.927 8.245 ( 9.138 0.000 3.212) 9.686 8.557 ( -6.466 0.000 7.669) 10.032 8.779 ( 14.361 0.000 -19.720) 24.395 9.497 ( -21.571 0.000 -30.678) 37.502 11.104 ( 20.847 0.000 27.818) 34.763 11.800 ( -13.526 0.000 16.543) 21.368 12.366 ( 22.815 0.000 2.590) 22.962 12.598 ( 9.825 0.000 -0.298) 9.829 32.272 ( 1.591 0.000 0.513) 1.671 32.350 ( -2.245 0.000 -0.664) 2.341 32.356 ( 1.220 0.000 0.504) 1.320 32.415 ( -1.601 0.000 0.086) 1.604 32.713 ( -2.011 0.000 0.361) 2.043 32.735 ( -2.921 0.000 -0.007) 2.921 36.720 ( 2.214 0.000 0.705) 2.324 36.798 ( -1.648 0.000 -0.470) 1.714 37.225 ( -0.572 0.000 0.066) 0.575 37.227 ( -0.696 0.000 0.112) 0.705 69.493 ( -1.111 0.000 0.054) 1.112 69.500 ( -1.390 0.000 -0.010) 1.390 71.218 ( 5.286 0.000 -0.025) 5.286 71.434 ( -5.408 0.000 0.054) 5.408 71.488 ( 5.892 0.000 -3.973) 7.106 71.738 ( -6.717 0.000 -0.156) 6.719 72.297 ( 6.402 0.000 0.679) 6.438 72.485 ( -2.895 0.000 1.217) 3.140 ======================= Grid point 344 (63/140) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( -10.358 0.000 -0.388) 10.365 2.808 ( 10.358 0.000 -0.388) 10.365 3.369 ( -17.601 0.000 3.320) 17.912 3.369 ( 17.601 0.000 3.320) 17.912 4.621 ( -7.458 0.000 -8.877) 11.594 4.621 ( 7.458 0.000 -8.877) 11.594 5.031 ( -4.503 0.000 12.957) 13.717 5.031 ( 4.503 0.000 12.957) 13.717 6.388 ( -9.314 0.000 -23.165) 24.968 6.388 ( 9.314 0.000 -23.165) 24.968 8.413 ( -7.971 0.000 5.583) 9.732 8.413 ( 7.971 0.000 5.583) 9.732 9.102 ( -18.347 0.000 -26.547) 32.270 9.102 ( 18.347 0.000 -26.547) 32.270 11.488 ( -17.854 0.000 22.949) 29.076 11.488 ( 17.854 0.000 22.949) 29.076 12.648 ( -5.561 0.000 1.280) 5.706 12.648 ( 5.561 0.000 1.280) 5.706 32.308 ( -1.981 0.000 -0.083) 1.982 32.308 ( 1.981 0.000 -0.083) 1.982 32.383 ( -1.527 0.000 0.429) 1.586 32.383 ( 1.527 0.000 0.429) 1.586 32.699 ( -0.621 0.000 0.045) 0.623 32.699 ( 0.621 0.000 0.045) 0.623 36.762 ( -1.994 0.000 0.124) 1.998 36.762 ( 1.994 0.000 0.124) 1.998 37.219 ( -0.063 0.000 0.109) 0.126 37.219 ( 0.063 0.000 0.109) 0.126 69.484 ( -0.200 0.000 0.022) 0.201 69.484 ( 0.200 0.000 0.022) 0.201 71.326 ( -5.535 0.000 0.012) 5.535 71.326 ( 5.535 0.000 0.012) 5.535 71.609 ( -6.351 0.000 -2.206) 6.724 71.609 ( 6.351 0.000 -2.206) 6.724 72.408 ( -4.808 0.000 1.017) 4.915 72.408 ( 4.808 0.000 1.017) 4.915 ======================= Grid point 352 (64/140) ======================= q-point: ( 0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 14.383 14.383 20.347) 28.771 1.481 ( 16.924 16.924 17.890) 29.881 2.817 ( 16.310 16.310 45.343) 50.872 3.141 ( 5.625 5.625 -10.590) 13.245 3.145 ( 6.869 6.869 -7.549) 12.303 4.892 ( 4.183 4.183 -4.247) 7.282 5.039 ( 1.283 1.283 11.458) 11.600 5.142 ( 16.362 16.362 -19.529) 30.279 6.029 ( 2.677 2.677 7.561) 8.455 6.156 ( 8.040 8.040 13.696) 17.801 7.968 ( -5.226 -5.226 -11.246) 13.457 8.162 ( 1.688 1.688 28.200) 28.300 8.769 ( -7.072 -7.072 -7.384) 12.432 9.558 ( 8.108 8.108 13.007) 17.339 9.865 ( 19.252 19.252 19.577) 33.534 11.191 ( -10.854 -10.854 -21.367) 26.309 11.556 ( 3.633 3.633 -12.842) 13.832 12.084 ( 3.472 3.472 -12.044) 13.006 32.215 ( 0.431 0.431 2.156) 2.241 32.252 ( 1.386 1.386 0.452) 2.012 32.490 ( -0.938 -0.938 -1.976) 2.380 32.502 ( -0.346 -0.346 -2.139) 2.195 33.014 ( -2.013 -2.013 0.354) 2.869 33.041 ( -3.860 -3.860 1.522) 5.667 36.583 ( 0.798 0.798 2.187) 2.460 36.867 ( -0.151 -0.151 -2.153) 2.164 37.300 ( -0.762 -0.762 0.175) 1.092 37.316 ( -0.797 -0.797 0.018) 1.127 69.655 ( -1.340 -1.340 0.200) 1.906 69.669 ( -1.788 -1.788 -0.022) 2.529 70.929 ( 0.608 0.608 0.180) 0.878 71.073 ( 5.607 5.607 -5.608) 9.713 71.768 ( 0.804 0.804 0.197) 1.154 71.775 ( 1.231 1.231 0.130) 1.746 72.268 ( -3.441 -3.441 5.550) 7.382 72.492 ( -1.013 -1.013 -0.992) 1.742 ======================= Grid point 353 (65/140) ======================= q-point: ( 0.17 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 17.066 19.865 12.374) 28.965 1.849 ( 18.197 11.223 18.467) 28.251 3.110 ( 1.257 9.229 -7.015) 11.660 3.297 ( 24.134 6.597 21.673) 33.101 3.464 ( 20.034 1.811 3.043) 20.345 4.873 ( -2.819 4.485 3.916) 6.588 4.972 ( -5.044 15.027 3.530) 16.239 5.656 ( 24.793 1.150 -21.341) 32.733 5.896 ( -10.947 19.821 8.105) 24.049 6.463 ( 16.531 -1.019 3.411) 16.910 7.851 ( -5.260 -5.163 -9.860) 12.310 8.193 ( 2.904 -8.261 17.053) 19.170 8.714 ( 0.349 3.518 -1.289) 3.763 9.833 ( 18.733 5.341 16.391) 25.458 10.355 ( 30.482 14.870 16.468) 37.703 10.902 ( -17.186 -2.499 -24.523) 30.050 11.692 ( 10.134 1.234 -10.592) 14.711 12.136 ( 1.177 0.351 -4.818) 4.972 32.223 ( 0.387 0.733 1.893) 2.067 32.282 ( 1.454 -0.191 0.146) 1.474 32.464 ( -1.629 -1.049 -1.659) 2.551 32.490 ( -0.804 -0.244 -1.908) 2.084 32.948 ( -5.054 -2.613 1.804) 5.969 32.958 ( -3.710 -2.179 0.438) 4.325 36.605 ( 1.474 0.721 1.975) 2.567 36.861 ( -0.476 -0.015 -1.927) 1.985 37.281 ( -1.108 -0.628 0.030) 1.274 37.294 ( -1.334 -0.765 0.023) 1.538 69.618 ( -2.271 -1.336 0.053) 2.635 69.622 ( -2.750 -1.621 0.013) 3.192 70.960 ( 2.391 -0.509 0.323) 2.466 71.185 ( 5.322 3.241 -6.924) 9.315 71.730 ( -2.659 3.629 0.132) 4.500 71.868 ( 6.098 -1.173 0.070) 6.210 72.171 ( -5.979 1.076 6.010) 8.546 72.487 ( 0.431 -2.866 -0.474) 2.937 ======================= Grid point 354 (66/140) ======================= q-point: ( 0.25 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 16.840 19.414 6.155) 26.427 2.218 ( 19.882 6.789 17.131) 27.108 3.103 ( -0.957 8.078 -7.919) 11.353 3.676 ( 12.763 -2.040 -7.096) 14.745 3.966 ( 27.953 3.052 24.485) 37.285 4.825 ( -1.089 1.145 10.060) 10.183 4.868 ( -5.012 17.717 -0.475) 18.418 5.640 ( -14.499 24.092 7.447) 29.088 5.986 ( 9.506 0.819 -22.590) 24.522 6.716 ( 6.654 -3.221 -11.950) 14.052 7.828 ( 4.013 -5.299 -3.725) 7.620 8.300 ( 7.140 -13.502 7.356) 16.953 8.737 ( 1.758 11.747 0.939) 11.915 10.210 ( 14.752 7.722 15.170) 22.525 10.550 ( -12.917 2.633 -19.884) 23.857 11.066 ( 38.472 8.339 9.632) 40.527 11.957 ( 16.440 0.378 -7.104) 17.913 12.118 ( -3.135 -1.036 2.622) 4.216 32.232 ( 0.615 0.574 1.493) 1.713 32.306 ( 1.058 -0.761 0.311) 1.340 32.428 ( -2.060 -1.075 -1.280) 2.653 32.470 ( -1.203 -0.166 -1.418) 1.867 32.846 ( -5.085 -2.227 1.555) 5.765 32.877 ( -4.482 -2.035 0.180) 4.925 36.639 ( 1.940 0.601 1.638) 2.609 36.848 ( -0.860 0.039 -1.517) 1.744 37.258 ( -1.190 -0.563 -0.062) 1.318 37.266 ( -1.460 -0.723 0.045) 1.630 69.564 ( -2.872 -1.436 0.005) 3.211 69.571 ( -2.529 -1.329 0.002) 2.856 71.020 ( 3.675 -1.053 0.348) 3.839 71.279 ( 4.318 0.997 -6.275) 7.683 71.669 ( -3.407 4.304 -0.039) 5.489 72.003 ( 7.319 -1.056 0.197) 7.397 72.046 ( -6.581 3.157 4.078) 8.361 72.498 ( 0.453 -3.086 0.492) 3.158 ======================= Grid point 355 (67/140) ======================= q-point: ( 0.33 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 15.755 13.020 3.716) 20.774 2.624 ( 20.667 5.615 12.020) 24.559 3.077 ( -1.777 6.427 -5.619) 8.720 3.794 ( -1.095 -1.701 -6.202) 6.524 4.464 ( 21.587 -0.936 19.078) 28.824 4.787 ( -2.788 21.475 -7.730) 22.993 4.864 ( 4.942 -4.389 15.972) 17.285 5.345 ( -14.888 24.225 2.525) 28.546 6.111 ( 4.855 0.338 -22.377) 22.900 6.706 ( -6.014 -3.810 -20.178) 21.397 7.978 ( 9.291 -6.881 0.943) 11.600 8.419 ( 3.375 -15.558 6.088) 17.044 8.804 ( 6.164 18.803 -6.739) 20.904 10.052 ( -19.423 11.450 -28.002) 35.951 10.731 ( 20.149 4.316 25.005) 32.401 11.807 ( 33.442 3.520 5.280) 34.039 12.009 ( -6.480 -0.686 8.997) 11.109 12.314 ( 18.048 0.532 -3.262) 18.348 32.248 ( 0.976 0.241 1.021) 1.432 32.326 ( 1.009 -0.819 0.471) 1.382 32.385 ( -2.190 -0.971 -0.857) 2.544 32.444 ( -1.489 -0.141 -0.774) 1.684 32.754 ( -4.069 -2.069 0.923) 4.658 32.788 ( -4.274 -1.998 0.049) 4.718 36.680 ( 2.157 0.452 1.199) 2.509 36.827 ( -1.250 0.049 -1.004) 1.604 37.235 ( -1.033 -0.550 -0.046) 1.171 37.239 ( -1.184 -0.668 0.068) 1.361 69.513 ( -2.213 -1.316 0.045) 2.575 69.523 ( -2.203 -1.269 -0.048) 2.542 71.102 ( 4.567 -1.361 0.337) 4.778 71.352 ( 2.766 -1.670 -4.396) 5.456 71.606 ( -2.590 5.982 -0.735) 6.559 71.915 ( -6.603 4.006 1.855) 7.943 72.149 ( 7.281 -1.078 0.273) 7.365 72.497 ( -0.772 -2.624 1.074) 2.938 ======================= Grid point 356 (68/140) ======================= q-point: ( 0.42 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 13.669 7.537 1.626) 15.694 2.965 ( 4.668 2.443 2.805) 5.969 3.071 ( 9.794 6.721 2.248) 12.089 3.660 ( -11.309 -0.410 -0.809) 11.346 4.770 ( 2.394 18.940 -6.699) 20.232 4.808 ( 12.343 -1.265 11.179) 16.701 4.968 ( 3.460 -4.824 14.056) 15.258 5.072 ( -11.973 22.550 -3.523) 25.773 6.216 ( 6.243 -0.442 -21.899) 22.776 6.544 ( -9.325 -2.854 -21.143) 23.284 8.151 ( 8.078 -8.751 3.686) 12.466 8.408 ( -3.875 -13.389 7.719) 15.933 8.999 ( 13.090 20.221 -18.052) 30.101 9.662 ( -19.420 15.773 -28.406) 37.853 11.131 ( 19.710 2.690 25.322) 32.201 11.788 ( -12.786 -0.933 15.932) 20.450 12.394 ( 21.999 2.664 2.569) 22.308 12.607 ( 10.110 0.906 -0.806) 10.182 32.271 ( 1.395 -0.143 0.522) 1.496 32.339 ( -1.428 -0.909 -0.285) 1.716 32.352 ( 0.649 -0.515 0.362) 0.904 32.412 ( -1.676 -0.213 -0.125) 1.694 32.693 ( -1.994 -2.022 0.347) 2.861 32.716 ( -2.917 -1.979 -0.031) 3.525 36.723 ( 2.140 0.298 0.687) 2.268 36.799 ( -1.624 0.080 -0.442) 1.685 37.219 ( -0.583 -0.573 0.030) 0.818 37.221 ( -0.673 -0.608 0.068) 0.910 69.480 ( -1.082 -1.236 0.042) 1.643 69.487 ( -1.372 -1.222 -0.038) 1.838 71.198 ( 4.996 -1.713 0.269) 5.288 71.365 ( -1.893 -3.534 -1.351) 4.230 71.596 ( 2.066 7.212 -2.332) 7.856 71.788 ( -6.238 4.653 -0.327) 7.789 72.284 ( 6.270 -1.264 0.638) 6.428 72.464 ( -2.628 -2.072 1.189) 3.551 ======================= Grid point 357 (69/140) ======================= q-point: (-0.50 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -9.087 4.687 -0.062) 10.225 2.865 ( 9.087 4.687 -0.062) 10.225 3.385 ( -15.953 2.067 3.571) 16.478 3.385 ( 15.953 2.067 3.571) 16.478 4.863 ( -7.542 21.125 -6.520) 23.359 4.863 ( 7.542 21.125 -6.520) 23.359 4.978 ( -4.309 -4.332 10.861) 12.462 4.978 ( 4.309 -4.332 10.861) 12.462 6.363 ( -8.593 -1.557 -21.141) 22.874 6.363 ( 8.593 -1.557 -21.141) 22.874 8.298 ( -6.784 -10.650 6.166) 14.052 8.298 ( 6.784 -10.650 6.166) 14.052 9.300 ( -17.072 18.708 -24.808) 35.453 9.300 ( 17.072 18.708 -24.808) 35.453 11.494 ( -16.888 0.678 21.507) 27.354 11.494 ( 16.888 0.678 21.507) 27.354 12.664 ( -5.133 1.566 0.942) 5.448 12.664 ( 5.133 1.566 0.942) 5.448 32.303 ( -1.789 -0.517 0.030) 1.862 32.303 ( 1.789 -0.517 0.030) 1.862 32.379 ( -1.627 -0.386 0.330) 1.704 32.379 ( 1.627 -0.386 0.330) 1.704 32.679 ( -0.632 -1.989 0.025) 2.087 32.679 ( 0.632 -1.989 0.025) 2.087 36.763 ( -1.940 0.165 0.131) 1.952 36.763 ( 1.940 0.165 0.131) 1.952 37.213 ( -0.054 -0.585 0.067) 0.591 37.213 ( 0.054 -0.585 0.067) 0.591 69.472 ( -0.203 -1.207 0.004) 1.224 69.472 ( 0.203 -1.207 0.004) 1.224 71.294 ( -4.613 -2.437 -0.012) 5.217 71.294 ( 4.613 -2.437 -0.012) 5.217 71.673 ( -5.204 5.687 -1.996) 7.963 71.673 ( 5.204 5.687 -1.996) 7.963 72.392 ( -4.603 -1.602 0.990) 4.973 72.392 ( 4.603 -1.602 0.990) 4.973 ======================= Grid point 366 (70/140) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 18.163 18.163 15.298) 29.896 2.145 ( 15.357 15.357 10.735) 24.226 3.346 ( 3.770 3.770 -8.335) 9.894 3.356 ( 9.283 9.283 -2.689) 13.401 3.670 ( 18.556 18.556 25.175) 36.365 4.811 ( -5.145 -5.145 16.022) 17.597 5.315 ( 8.154 8.154 -1.553) 11.635 5.783 ( 13.412 13.412 -28.133) 33.930 6.265 ( 10.677 10.677 1.633) 15.188 6.477 ( 5.437 5.437 3.495) 8.447 7.736 ( -5.128 -5.128 -7.487) 10.423 7.943 ( -10.989 -10.989 13.405) 20.524 8.932 ( 13.530 13.530 1.597) 19.200 10.026 ( 15.294 15.294 10.432) 24.013 10.742 ( 23.784 23.784 18.141) 38.216 10.807 ( -7.027 -7.027 -23.257) 25.291 11.767 ( 7.179 7.179 -11.158) 15.086 12.132 ( -1.093 -1.093 -0.079) 1.548 32.238 ( 0.697 0.697 1.705) 1.969 32.280 ( 0.066 0.066 0.288) 0.303 32.437 ( -1.716 -1.716 -1.188) 2.702 32.481 ( -0.670 -0.670 -1.922) 2.143 32.877 ( -4.367 -4.367 1.842) 6.445 32.901 ( -3.613 -3.613 0.183) 5.113 36.626 ( 1.326 1.326 1.782) 2.587 36.858 ( -0.351 -0.351 -1.752) 1.821 37.264 ( -1.011 -1.011 -0.101) 1.433 37.273 ( -1.283 -1.283 0.029) 1.814 69.579 ( -2.579 -2.579 -0.009) 3.648 69.583 ( -2.210 -2.210 -0.032) 3.125 70.967 ( 1.319 1.319 0.828) 2.040 71.247 ( 2.907 2.907 -6.560) 7.742 71.813 ( 1.461 1.461 0.293) 2.087 71.853 ( 2.701 2.701 -0.350) 3.836 72.180 ( -0.926 -0.926 5.861) 6.005 72.431 ( -2.062 -2.062 -0.914) 3.056 ======================= Grid point 367 (71/140) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 10.557 14.967 9.829) 20.787 2.427 ( 19.683 15.019 13.320) 28.114 3.297 ( -3.319 10.118 -6.400) 12.424 3.633 ( 12.146 -1.594 -6.793) 14.007 4.082 ( 21.171 8.704 21.349) 31.301 4.714 ( -3.766 -7.434 18.328) 20.133 5.332 ( -2.892 19.622 -3.010) 20.061 6.023 ( 7.783 5.532 -25.676) 27.394 6.210 ( -11.543 27.355 5.304) 30.161 6.657 ( 6.752 -1.231 -11.120) 13.068 7.694 ( 1.267 -7.706 -2.396) 8.168 7.892 ( 5.324 -22.529 11.168) 25.703 9.147 ( 8.487 25.132 -0.833) 26.539 10.410 ( 20.567 12.359 12.005) 26.830 10.626 ( -9.765 5.183 -22.105) 24.715 11.296 ( 31.508 14.869 12.276) 36.940 11.987 ( 14.375 3.311 -9.015) 17.288 12.087 ( -3.045 -2.082 5.309) 6.465 32.247 ( 0.292 0.924 1.264) 1.593 32.287 ( 0.727 -1.056 0.576) 1.405 32.399 ( -2.032 -1.743 -0.729) 2.775 32.464 ( -1.086 -0.497 -1.672) 2.055 32.785 ( -4.781 -3.892 1.411) 6.325 32.820 ( -4.443 -3.600 0.081) 5.719 36.656 ( 1.735 1.093 1.479) 2.528 36.846 ( -0.802 -0.234 -1.359) 1.595 37.242 ( -1.148 -0.942 -0.196) 1.498 37.246 ( -1.395 -1.215 0.037) 1.850 69.526 ( -2.689 -2.342 0.012) 3.566 69.536 ( -2.464 -2.167 -0.111) 3.283 71.011 ( 3.011 0.287 1.008) 3.188 71.297 ( 2.067 0.750 -5.240) 5.682 71.780 ( -2.375 6.372 -0.167) 6.802 71.977 ( 7.331 -1.390 -0.180) 7.463 72.122 ( -4.606 4.129 3.651) 7.183 72.417 ( 0.331 -4.790 0.034) 4.802 ======================= Grid point 368 (72/140) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 9.610 11.322 7.730) 16.742 2.805 ( 17.981 11.434 11.414) 24.173 3.228 ( -3.454 7.816 -4.418) 9.620 3.768 ( 0.584 -0.338 -5.111) 5.155 4.450 ( 15.447 -0.499 15.731) 22.053 4.704 ( 3.169 -9.828 17.800) 20.579 5.269 ( -2.610 21.362 -4.394) 21.965 5.888 ( -17.016 25.450 -2.182) 30.692 6.152 ( 4.608 4.450 -19.039) 20.087 6.676 ( -3.935 4.270 -15.031) 16.113 7.781 ( 6.568 -13.367 0.768) 14.914 8.031 ( 6.018 -20.957 11.181) 24.504 9.307 ( 8.771 29.830 -8.103) 32.131 10.358 ( -13.578 18.418 -23.743) 32.974 10.849 ( 19.843 8.141 17.696) 27.806 11.897 ( 16.059 4.532 8.283) 18.629 12.007 ( 7.737 1.799 7.135) 10.677 12.335 ( 17.957 1.818 -4.808) 18.678 32.254 ( 0.418 0.294 0.879) 1.016 32.306 ( 1.131 -1.060 0.618) 1.669 32.359 ( -1.994 -1.637 -0.295) 2.596 32.439 ( -1.453 -0.346 -1.182) 1.905 32.696 ( -3.983 -3.730 0.853) 5.523 32.732 ( -4.237 -3.556 -0.026) 5.532 36.693 ( 1.923 0.798 1.091) 2.350 36.827 ( -1.200 -0.141 -0.858) 1.481 37.220 ( -1.097 -1.034 -0.053) 1.508 37.222 ( -1.049 -1.019 -0.115) 1.467 69.478 ( -2.075 -2.148 0.030) 2.987 69.489 ( -2.134 -2.092 -0.127) 2.991 71.082 ( 4.103 -0.443 0.974) 4.240 71.325 ( 0.583 -1.003 -3.302) 3.500 71.741 ( -1.196 7.289 -0.906) 7.442 72.016 ( -5.832 5.785 1.302) 8.317 72.121 ( 7.094 -1.612 -0.011) 7.275 72.424 ( -0.052 -4.591 0.921) 4.683 ======================= Grid point 369 (73/140) ======================= q-point: ( 0.42 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 9.598 6.824 4.532) 12.619 3.051 ( 1.444 5.283 5.017) 7.428 3.227 ( 8.494 8.463 2.351) 12.218 3.674 ( -8.804 2.226 0.421) 9.091 4.691 ( 9.282 -7.592 11.870) 16.872 4.793 ( 3.900 -10.325 14.299) 18.063 5.253 ( 1.465 20.767 -6.206) 21.724 5.568 ( -14.443 21.916 -5.368) 26.791 6.257 ( 6.170 5.954 -17.625) 19.600 6.552 ( -7.716 6.648 -15.012) 18.141 7.916 ( 6.565 -14.887 4.932) 17.001 8.085 ( -0.506 -17.945 10.133) 20.614 9.513 ( 12.190 30.301 -16.016) 36.376 10.074 ( -14.940 24.636 -23.781) 37.358 11.215 ( 17.175 6.166 19.426) 26.652 11.776 ( -10.920 0.089 14.404) 18.076 12.466 ( 20.042 4.527 2.003) 20.644 12.634 ( 10.705 1.869 -2.211) 11.090 32.266 ( 0.859 -0.410 0.604) 1.128 32.317 ( -1.358 -1.299 0.037) 1.880 32.337 ( 1.153 -0.883 0.439) 1.517 32.407 ( -1.807 -0.339 -0.527) 1.912 32.636 ( -1.934 -3.660 0.302) 4.150 32.660 ( -2.910 -3.524 -0.099) 4.571 36.731 ( 1.912 0.484 0.647) 2.076 36.800 ( -1.516 -0.011 -0.337) 1.553 37.203 ( -0.581 -1.031 -0.009) 1.184 37.205 ( -0.642 -0.956 -0.125) 1.159 69.447 ( -1.012 -2.028 0.017) 2.267 69.455 ( -1.326 -2.021 -0.089) 2.419 71.168 ( 4.487 -1.006 0.744) 4.658 71.312 ( -1.948 -1.810 -1.195) 2.915 71.744 ( 1.634 7.563 -1.712) 7.925 71.902 ( -5.552 6.420 -0.536) 8.505 72.250 ( 5.866 -2.036 0.454) 6.226 72.406 ( -1.870 -3.624 1.093) 4.222 ======================= Grid point 370 (74/140) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -7.755 4.239 2.136) 9.092 2.956 ( 7.755 4.239 2.136) 9.092 3.462 ( -12.101 5.559 4.557) 14.075 3.462 ( 12.101 5.559 4.557) 14.075 4.811 ( -2.560 -10.272 11.917) 15.940 4.811 ( 2.560 -10.272 11.917) 15.940 5.343 ( -8.012 20.565 -7.286) 23.242 5.343 ( 8.012 20.565 -7.286) 23.242 6.396 ( -7.733 6.941 -15.715) 18.840 6.396 ( 7.733 6.941 -15.715) 18.840 8.029 ( -4.656 -15.789 8.228) 18.403 8.029 ( 4.656 -15.789 8.228) 18.403 9.780 ( -14.534 28.445 -21.346) 38.419 9.780 ( 14.534 28.445 -21.346) 38.419 11.526 ( -14.319 2.968 17.829) 23.059 11.526 ( 14.319 2.968 17.829) 23.059 12.707 ( -4.053 2.775 -0.166) 4.915 12.707 ( 4.053 2.775 -0.166) 4.915 32.288 ( -1.345 -0.970 0.330) 1.691 32.288 ( 1.345 -0.970 0.330) 1.691 32.370 ( -1.876 -0.538 0.068) 1.953 32.370 ( 1.876 -0.538 0.068) 1.953 32.624 ( -0.684 -3.562 -0.038) 3.627 32.624 ( 0.684 -3.562 -0.038) 3.627 36.767 ( -1.760 0.199 0.167) 1.779 36.767 ( 1.760 0.199 0.167) 1.779 37.198 ( -0.069 -0.983 -0.057) 0.987 37.198 ( 0.069 -0.983 -0.057) 0.987 69.439 ( -0.207 -1.990 -0.030) 2.001 69.439 ( 0.207 -1.990 -0.030) 2.001 71.252 ( -3.893 -1.540 0.152) 4.189 71.252 ( 3.893 -1.540 0.152) 4.189 71.804 ( -4.197 7.028 -1.618) 8.344 71.804 ( 4.197 7.028 -1.618) 8.344 72.348 ( -3.997 -2.718 0.864) 4.910 72.348 ( 3.997 -2.718 0.864) 4.910 ======================= Grid point 380 (75/140) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 10.456 10.456 6.977) 16.350 2.716 ( 14.899 14.899 17.276) 27.248 3.404 ( -0.759 -0.759 -4.932) 5.047 3.684 ( 7.433 7.433 -6.088) 12.148 4.282 ( 10.497 10.497 15.427) 21.409 4.560 ( -7.362 -7.362 19.133) 21.782 5.540 ( 2.787 2.787 0.890) 4.041 6.159 ( 6.933 6.933 -20.157) 22.415 6.439 ( -6.275 -6.275 -7.548) 11.650 6.823 ( 15.006 15.006 -3.778) 21.556 7.527 ( -8.208 -8.208 5.803) 12.977 7.603 ( -3.425 -3.425 4.850) 6.854 9.595 ( 18.472 18.472 -1.535) 26.168 10.681 ( 10.138 10.138 -3.303) 14.713 10.754 ( 11.265 11.265 -8.116) 17.879 11.657 ( 21.784 21.784 9.751) 32.314 12.031 ( -3.236 -3.236 8.430) 9.592 12.121 ( 10.558 10.558 -9.207) 17.542 32.267 ( 0.763 0.763 0.978) 1.456 32.268 ( -0.515 -0.515 0.744) 1.041 32.362 ( -1.978 -1.978 -0.255) 2.810 32.451 ( -0.855 -0.855 -1.677) 2.068 32.699 ( -4.582 -4.582 1.129) 6.578 32.740 ( -4.397 -4.397 -0.021) 6.219 36.681 ( 1.407 1.407 1.237) 2.343 36.838 ( -0.672 -0.672 -1.013) 1.389 37.220 ( -1.329 -1.329 0.025) 1.880 37.222 ( -1.086 -1.086 -0.342) 1.574 69.477 ( -2.465 -2.465 0.018) 3.486 69.490 ( -2.392 -2.392 -0.174) 3.387 71.034 ( 2.099 2.099 1.352) 3.261 71.309 ( 0.487 0.487 -3.884) 3.945 71.879 ( 1.792 1.792 0.642) 2.615 71.982 ( 3.669 3.669 -1.234) 5.334 72.182 ( 0.782 0.782 3.052) 3.246 72.331 ( -2.990 -2.990 -0.497) 4.257 ======================= Grid point 381 (76/140) ======================= q-point: ( 0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 6.132 10.663 8.165) 14.763 3.015 ( 14.041 9.548 15.716) 23.136 3.339 ( -3.784 2.676 -2.540) 5.285 3.809 ( 2.434 4.921 -4.358) 7.009 4.425 ( 2.030 -4.368 14.530) 15.308 4.503 ( 4.228 -7.888 14.637) 17.156 5.530 ( -1.995 5.503 0.011) 5.854 6.155 ( -16.906 3.379 -3.875) 17.670 6.295 ( 5.288 7.120 -14.290) 16.818 6.963 ( -1.729 21.170 -5.368) 21.909 7.485 ( 3.847 -12.948 0.029) 13.507 7.665 ( 6.253 -16.508 10.088) 20.331 9.882 ( 12.000 26.096 -6.288) 29.404 10.703 ( -4.047 14.449 -18.316) 23.678 11.090 ( 17.493 16.791 9.651) 26.097 11.940 ( -4.923 0.947 10.926) 12.021 12.140 ( 24.590 11.013 4.103) 27.255 12.399 ( 16.212 5.290 -6.852) 18.378 32.256 ( -0.356 -0.213 0.866) 0.960 32.291 ( 1.266 -0.283 0.552) 1.410 32.324 ( -1.796 -1.841 0.151) 2.577 32.430 ( -1.259 -0.547 -1.410) 1.968 32.613 ( -3.953 -4.572 0.741) 6.090 32.653 ( -4.172 -4.319 -0.124) 6.006 36.711 ( 1.538 0.987 0.939) 2.054 36.820 ( -1.043 -0.491 -0.571) 1.287 37.196 ( -1.060 -1.233 -0.026) 1.626 37.201 ( -0.988 -1.061 -0.402) 1.504 69.433 ( -1.916 -2.281 0.022) 2.979 69.445 ( -2.046 -2.301 -0.168) 3.084 71.090 ( 3.405 1.273 1.365) 3.883 71.312 ( -0.331 -0.350 -2.357) 2.406 71.875 ( -0.535 5.784 0.003) 5.809 72.096 ( 6.363 -0.415 -0.618) 6.406 72.129 ( -4.971 5.309 0.594) 7.297 72.322 ( 0.891 -5.617 0.693) 5.729 ======================= Grid point 382 (77/140) ======================= q-point: ( 0.42 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 5.861 7.756 7.602) 12.341 3.145 ( -2.807 4.354 7.266) 8.924 3.379 ( 9.665 6.371 6.386) 13.220 3.754 ( -6.810 5.764 2.340) 9.224 4.494 ( 5.113 -12.510 12.294) 18.270 4.583 ( 2.182 -9.949 10.007) 14.278 5.509 ( 0.695 5.799 -2.018) 6.180 5.817 ( -15.285 5.423 -3.744) 16.645 6.437 ( 8.590 8.574 -9.559) 15.449 6.829 ( -9.707 17.248 -5.336) 20.499 7.612 ( 7.097 -13.092 2.896) 15.171 7.750 ( 1.542 -14.967 9.146) 17.608 10.111 ( 11.654 27.920 -12.334) 32.673 10.561 ( -9.684 22.476 -18.358) 30.594 11.398 ( 13.657 13.014 12.374) 22.561 11.813 ( -7.750 4.267 12.359) 15.200 12.572 ( 17.255 6.327 0.209) 18.380 12.685 ( 10.894 3.576 -4.279) 12.238 32.255 ( 0.270 -0.704 0.826) 1.119 32.289 ( -1.398 -1.482 0.423) 2.081 32.322 ( 1.638 -0.550 0.220) 1.742 32.399 ( -1.873 -0.385 -0.825) 2.082 32.554 ( -1.807 -4.535 0.218) 4.887 32.582 ( -2.894 -4.245 -0.206) 5.141 36.741 ( 1.528 0.528 0.610) 1.728 36.797 ( -1.285 -0.242 -0.135) 1.315 37.180 ( -0.512 -1.148 -0.119) 1.263 37.185 ( -0.657 -1.055 -0.359) 1.293 69.405 ( -0.940 -2.176 0.005) 2.370 69.412 ( -1.259 -2.211 -0.113) 2.547 71.163 ( 3.899 0.578 1.075) 4.085 71.291 ( -1.934 -0.464 -0.796) 2.142 71.882 ( 1.437 6.101 -0.685) 6.306 72.024 ( -5.182 5.554 -0.477) 7.611 72.212 ( 5.106 -1.576 -0.120) 5.345 72.328 ( -0.623 -4.076 0.832) 4.206 ======================= Grid point 383 (78/140) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -6.117 4.888 6.110) 9.932 3.042 ( 6.117 4.888 6.110) 9.932 3.585 ( -9.882 6.283 7.033) 13.660 3.585 ( 9.882 6.283 7.033) 13.660 4.579 ( -2.629 -12.787 9.968) 16.425 4.579 ( 2.629 -12.787 9.968) 16.425 5.587 ( -7.710 5.651 -3.647) 10.231 5.587 ( 7.710 5.651 -3.647) 10.231 6.626 ( -10.321 12.159 -6.671) 17.288 6.626 ( 10.321 12.159 -6.671) 17.288 7.724 ( -3.856 -12.981 6.771) 15.140 7.724 ( 3.856 -12.981 6.771) 15.140 10.344 ( -11.810 26.442 -16.565) 33.363 10.344 ( 11.810 26.442 -16.565) 33.363 11.634 ( -10.459 8.669 13.005) 18.806 11.634 ( 10.459 8.669 13.005) 18.806 12.774 ( -2.734 4.094 -2.170) 5.380 12.774 ( 2.734 4.094 -2.170) 5.380 32.266 ( -0.894 -1.153 0.676) 1.608 32.266 ( 0.894 -1.153 0.676) 1.608 32.359 ( -2.071 -0.511 -0.213) 2.144 32.359 ( 2.071 -0.511 -0.213) 2.144 32.544 ( -0.813 -4.307 -0.158) 4.386 32.544 ( 0.813 -4.307 -0.158) 4.386 36.770 ( -1.436 0.100 0.257) 1.462 36.770 ( 1.436 0.100 0.257) 1.462 37.177 ( -0.121 -1.084 -0.246) 1.118 37.177 ( 0.121 -1.084 -0.246) 1.118 69.397 ( -0.197 -2.158 -0.045) 2.168 69.397 ( 0.197 -2.158 -0.045) 2.168 71.237 ( -3.394 -0.038 0.397) 3.417 71.237 ( 3.394 -0.038 0.397) 3.417 71.934 ( -3.733 5.812 -0.907) 6.967 71.934 ( 3.733 5.812 -0.907) 6.967 72.292 ( -2.980 -2.690 0.449) 4.040 72.292 ( 2.980 -2.690 0.449) 4.040 ======================= Grid point 394 (79/140) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 6.187 6.187 6.590) 10.954 3.208 ( 10.158 10.158 21.216) 25.623 3.340 ( -1.377 -1.377 0.362) 1.981 3.928 ( 4.803 4.803 -5.510) 8.746 4.250 ( -8.194 -8.194 21.440) 24.371 4.446 ( -1.556 -1.556 6.239) 6.615 5.559 ( -0.681 -0.681 0.012) 0.963 6.169 ( -5.865 -5.865 3.425) 8.974 6.300 ( -0.585 -0.585 -1.926) 2.096 7.317 ( -11.562 -11.562 12.189) 20.394 7.324 ( 9.737 9.737 -9.583) 16.777 7.446 ( 4.816 4.816 -2.811) 7.368 10.292 ( 15.870 15.870 -6.231) 23.293 10.892 ( 4.447 4.447 -14.627) 15.922 11.444 ( 16.725 16.725 5.929) 24.384 11.960 ( 0.682 0.682 11.230) 11.271 12.415 ( 16.219 16.219 0.566) 22.945 12.562 ( 11.100 11.100 -7.796) 17.527 32.247 ( -0.498 -0.498 1.035) 1.252 32.289 ( -1.620 -1.620 0.487) 2.343 32.296 ( 0.668 0.668 0.199) 0.966 32.417 ( -0.792 -0.792 -1.436) 1.821 32.524 ( -4.146 -4.146 0.595) 5.894 32.569 ( -4.046 -4.046 -0.240) 5.728 36.731 ( 1.039 1.039 0.769) 1.658 36.808 ( -0.789 -0.789 -0.213) 1.137 37.174 ( -0.972 -0.972 -0.138) 1.381 37.181 ( -0.959 -0.959 -0.539) 1.459 69.392 ( -1.793 -1.793 0.022) 2.536 69.402 ( -1.944 -1.944 -0.149) 2.753 71.129 ( 2.632 2.632 1.436) 3.990 71.306 ( -0.443 -0.443 -1.374) 1.510 71.948 ( 1.638 1.638 1.234) 2.624 72.125 ( 3.410 3.410 -1.736) 5.125 72.202 ( -3.404 -3.404 0.362) 4.828 72.223 ( 1.153 1.153 0.395) 1.677 ======================= Grid point 395 (80/140) ======================= q-point: ( 0.42 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 4.069 6.821 8.518) 11.647 3.245 ( -4.085 6.201 9.131) 11.769 3.466 ( 11.596 2.581 14.634) 18.849 3.883 ( -8.441 6.585 5.858) 12.204 4.229 ( 4.762 -13.411 11.850) 18.519 4.405 ( -2.832 -8.198 4.860) 9.942 5.561 ( 1.979 1.467 0.690) 2.558 5.909 ( -14.973 5.557 5.275) 16.820 6.426 ( 10.535 -10.216 5.151) 15.553 6.992 ( -16.714 -5.208 10.307) 20.315 7.516 ( 7.768 3.747 -7.382) 11.353 7.591 ( 5.212 1.318 -2.327) 5.858 10.550 ( 11.215 16.407 -9.049) 21.837 10.885 ( -4.404 9.823 -13.307) 17.116 11.710 ( 10.342 16.721 6.931) 20.847 11.947 ( -2.290 8.334 9.880) 13.127 12.723 ( 13.160 9.083 -2.878) 16.247 12.786 ( 9.591 6.809 -6.557) 13.466 32.241 ( -0.071 -0.642 1.063) 1.244 32.261 ( -1.131 -1.296 0.753) 1.878 32.316 ( 1.322 -0.092 -0.084) 1.328 32.393 ( -1.917 -0.272 -0.946) 2.155 32.464 ( -1.542 -4.379 0.092) 4.643 32.500 ( -2.807 -3.869 -0.362) 4.794 36.751 ( 1.024 0.493 0.591) 1.280 36.790 ( -0.943 -0.451 0.122) 1.052 37.160 ( -0.449 -0.910 -0.296) 1.057 37.165 ( -0.644 -0.918 -0.555) 1.251 69.365 ( -0.901 -1.741 0.011) 1.960 69.371 ( -1.172 -1.840 -0.091) 2.184 71.188 ( 3.157 1.819 1.187) 3.832 71.288 ( -1.456 0.071 -0.327) 1.494 71.971 ( 1.409 2.720 0.951) 3.207 72.100 ( -4.945 1.423 0.362) 5.158 72.202 ( 3.682 0.839 -1.300) 3.994 72.263 ( 0.959 -1.752 -0.123) 2.001 ======================= Grid point 396 (81/140) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( -4.521 6.613 9.346) 12.309 3.156 ( 4.521 6.613 9.346) 12.309 3.688 ( -10.681 3.628 12.958) 17.180 3.688 ( 10.681 3.628 12.958) 17.180 4.331 ( -4.675 -11.558 6.162) 13.907 4.331 ( 4.675 -11.558 6.162) 13.907 5.666 ( -8.948 4.164 2.929) 10.295 5.666 ( 8.948 4.164 2.929) 10.295 6.679 ( -14.714 -8.487 8.897) 19.175 6.679 ( 14.714 -8.487 8.897) 19.175 7.619 ( -2.230 2.830 -4.141) 5.489 7.619 ( 2.230 2.830 -4.141) 5.489 10.748 ( -8.855 13.968 -11.748) 20.286 10.748 ( 8.855 13.968 -11.748) 20.286 11.867 ( -5.853 13.650 8.324) 17.026 11.867 ( 5.853 13.650 8.324) 17.026 12.875 ( -1.514 6.297 -4.915) 8.131 12.875 ( 1.514 6.297 -4.915) 8.131 32.245 ( -0.515 -0.945 0.956) 1.439 32.245 ( 0.515 -0.945 0.956) 1.439 32.349 ( -2.095 -0.491 -0.333) 2.178 32.349 ( 2.095 -0.491 -0.333) 2.178 32.462 ( -1.039 -3.859 -0.389) 4.015 32.462 ( 1.039 -3.859 -0.389) 4.015 36.771 ( -0.996 -0.020 0.386) 1.069 36.771 ( 0.996 -0.020 0.386) 1.069 37.157 ( -0.145 -0.893 -0.457) 1.013 37.157 ( 0.145 -0.893 -0.457) 1.013 69.358 ( -0.159 -1.763 -0.029) 1.770 69.358 ( 0.159 -1.763 -0.029) 1.770 71.247 ( -2.671 0.934 0.592) 2.891 71.247 ( 2.671 0.934 0.592) 2.891 72.017 ( -3.311 2.270 0.516) 4.048 72.017 ( 3.311 2.270 0.516) 4.048 72.256 ( -1.642 -0.618 -0.656) 1.873 72.256 ( 1.642 -0.618 -0.656) 1.873 ======================= Grid point 408 (82/140) ======================= q-point: ( 0.42 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 5.397 5.397 9.825) 12.441 3.342 ( 1.000 1.000 4.578) 4.792 3.532 ( 6.376 6.376 26.102) 27.616 3.920 ( -8.355 -8.355 25.486) 28.092 4.063 ( 2.111 2.111 -5.245) 6.034 4.264 ( -6.124 -6.124 1.215) 8.746 5.620 ( 5.366 5.366 5.099) 9.143 6.006 ( -2.577 -2.577 16.702) 17.095 6.200 ( -2.865 -2.865 6.262) 7.459 6.728 ( -17.258 -17.258 16.620) 29.528 7.646 ( 6.680 6.680 -9.896) 13.681 7.689 ( 4.947 4.947 -7.662) 10.375 10.789 ( 8.873 8.873 -8.720) 15.281 10.973 ( 0.162 0.162 -10.724) 10.726 11.979 ( 9.732 9.732 5.688) 14.892 12.081 ( 4.093 4.093 7.635) 9.581 12.910 ( 8.646 8.646 -5.791) 13.529 12.936 ( 7.130 7.130 -7.622) 12.640 32.231 ( -0.266 -0.266 1.190) 1.248 32.240 ( -0.783 -0.783 0.988) 1.484 32.319 ( 0.479 0.479 -0.219) 0.712 32.386 ( -2.639 -2.639 0.254) 3.740 32.392 ( -0.474 -0.474 -1.234) 1.405 32.436 ( -2.529 -2.529 -0.586) 3.624 36.761 ( 0.472 0.472 0.570) 0.878 36.780 ( -0.528 -0.528 0.353) 0.826 37.146 ( -0.440 -0.440 -0.486) 0.789 37.150 ( -0.581 -0.581 -0.654) 1.050 69.338 ( -0.914 -0.914 0.016) 1.293 69.342 ( -1.071 -1.071 -0.043) 1.516 71.229 ( 2.176 2.176 1.058) 3.254 71.286 ( -0.439 -0.439 0.191) 0.650 72.001 ( 0.979 0.979 1.815) 2.282 72.078 ( -2.613 -2.613 1.456) 3.971 72.236 ( 2.045 2.045 -1.843) 3.429 72.263 ( 0.742 0.742 -1.279) 1.655 ======================= Grid point 409 (83/140) ======================= q-point: (-0.50 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -4.645 6.408 8.970) 11.962 3.290 ( 4.645 6.408 8.970) 11.962 3.711 ( -10.597 -1.238 24.573) 26.790 3.711 ( 10.597 -1.238 24.573) 26.790 4.155 ( -5.197 -5.722 -1.247) 7.830 4.155 ( 5.197 -5.722 -1.247) 7.830 5.789 ( -11.651 8.699 10.903) 18.174 5.789 ( 11.651 8.699 10.903) 18.174 6.395 ( -15.453 -17.033 14.288) 27.076 6.395 ( 15.453 -17.033 14.288) 27.076 7.729 ( -1.225 5.581 -8.710) 10.417 7.729 ( 1.225 5.581 -8.710) 10.417 10.923 ( -4.822 4.819 -9.643) 11.809 10.923 ( 4.822 4.819 -9.643) 11.809 12.096 ( -2.444 8.214 6.153) 10.550 12.096 ( 2.444 8.214 6.153) 10.550 13.010 ( -0.617 6.455 -7.203) 9.692 13.010 ( 0.617 6.455 -7.203) 9.692 32.231 ( -0.207 -0.473 1.154) 1.264 32.231 ( 0.207 -0.473 1.154) 1.264 32.339 ( -1.662 -0.584 -0.139) 1.767 32.339 ( 1.662 -0.584 -0.139) 1.767 32.401 ( -1.043 -2.061 -0.842) 2.459 32.401 ( 1.043 -2.061 -0.842) 2.459 36.770 ( -0.503 -0.055 0.503) 0.714 36.770 ( 0.503 -0.055 0.503) 0.714 37.143 ( -0.101 -0.495 -0.624) 0.803 37.143 ( 0.101 -0.495 -0.624) 0.803 69.330 ( -0.090 -0.977 -0.001) 0.982 69.330 ( 0.090 -0.977 -0.001) 0.982 71.267 ( -1.529 0.911 0.697) 1.911 71.267 ( 1.529 0.911 0.697) 1.911 72.029 ( -2.006 -0.462 1.769) 2.714 72.029 ( 2.006 -0.462 1.769) 2.714 72.265 ( -0.691 1.013 -1.651) 2.057 72.265 ( 0.691 1.013 -1.651) 2.057 ======================= Grid point 428 (84/140) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( -0.000 -0.000 5.608) 5.608 3.367 ( 0.000 0.000 5.608) 5.608 3.682 ( 0.000 0.000 33.223) 33.223 3.682 ( 0.000 0.000 33.223) 33.223 4.103 ( 0.000 0.000 -5.261) 5.261 4.103 ( -0.000 -0.000 -5.261) 5.261 5.956 ( -0.000 -0.000 21.151) 21.151 5.956 ( 0.000 0.000 21.151) 21.151 6.138 ( 0.000 0.000 7.747) 7.747 6.138 ( 0.000 0.000 7.747) 7.747 7.788 ( 0.000 0.000 -8.993) 8.993 7.788 ( 0.000 0.000 -8.993) 8.993 10.967 ( -0.000 -0.000 -9.375) 9.375 10.967 ( 0.000 0.000 -9.375) 9.375 12.176 ( 0.000 0.000 5.621) 5.621 12.176 ( 0.000 0.000 5.621) 5.621 13.082 ( 0.000 0.000 -7.890) 7.890 13.082 ( 0.000 0.000 -7.890) 7.890 32.226 ( 0.000 0.000 1.240) 1.240 32.226 ( 0.000 0.000 1.240) 1.240 32.331 ( 0.000 0.000 0.060) 0.060 32.331 ( 0.000 0.000 0.060) 0.060 32.382 ( 0.000 0.000 -1.151) 1.151 32.382 ( 0.000 0.000 -1.151) 1.151 36.769 ( 0.000 0.000 0.550) 0.550 36.769 ( 0.000 0.000 0.550) 0.550 37.138 ( 0.000 0.000 -0.687) 0.687 37.138 ( 0.000 0.000 -0.687) 0.687 69.320 ( 0.000 0.000 0.012) 0.012 69.320 ( 0.000 0.000 0.012) 0.012 71.277 ( 0.000 0.000 0.727) 0.727 71.277 ( 0.000 0.000 0.727) 0.727 72.021 ( 0.000 0.000 2.058) 2.058 72.021 ( 0.000 0.000 2.058) 2.058 72.278 ( 0.000 0.000 -1.840) 1.840 72.278 ( 0.000 0.000 -1.840) 1.840 ======================= Grid point 507 (85/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 0.000 23.095) 23.095 1.534 ( 0.000 0.000 23.095) 23.095 2.745 ( 0.000 0.000 -15.199) 15.199 2.745 ( 0.000 0.000 -15.199) 15.199 3.540 ( 0.000 0.000 52.808) 52.808 4.614 ( 0.000 0.000 -4.995) 4.995 4.614 ( -0.000 -0.000 -4.995) 4.995 5.238 ( 0.000 0.000 2.317) 2.317 6.235 ( -0.000 0.000 10.184) 10.184 6.235 ( -0.000 -0.000 10.184) 10.184 7.923 ( 0.000 0.000 -3.782) 3.782 8.706 ( 0.000 0.000 -20.138) 20.138 8.912 ( 0.000 0.000 45.518) 45.518 9.722 ( 0.000 0.000 18.801) 18.801 9.722 ( 0.000 0.000 18.801) 18.801 11.174 ( -0.000 -0.000 -17.764) 17.764 11.174 ( 0.000 0.000 -17.764) 17.764 11.396 ( 0.000 0.000 -33.752) 33.752 32.259 ( -0.000 0.000 3.054) 3.054 32.259 ( -0.000 -0.000 3.054) 3.054 32.457 ( 0.000 0.000 -2.997) 2.997 32.457 ( 0.000 0.000 -2.997) 2.997 33.065 ( 0.000 0.000 0.664) 0.664 33.118 ( 0.000 0.000 -1.017) 1.017 36.620 ( 0.000 0.000 3.133) 3.133 36.818 ( -0.000 -0.000 -3.086) 3.086 37.322 ( 0.000 0.000 0.268) 0.268 37.332 ( 0.000 0.000 -0.033) 0.033 69.689 ( 0.000 0.000 0.372) 0.372 69.705 ( 0.000 0.000 -0.135) 0.135 70.915 ( 0.000 0.000 -0.102) 0.102 70.915 ( 0.000 0.000 -0.102) 0.102 71.755 ( -0.000 -0.000 0.172) 0.172 71.755 ( 0.000 0.000 0.172) 0.172 72.396 ( 0.000 0.000 1.529) 1.529 72.489 ( 0.000 0.000 -1.364) 1.364 ======================= Grid point 508 (86/140) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 4.768 0.000 21.162) 21.693 1.760 ( 19.213 0.000 21.483) 28.821 2.753 ( 0.792 0.000 -14.787) 14.808 2.895 ( 13.798 0.000 -13.652) 19.411 3.662 ( 12.687 0.000 48.805) 50.427 4.591 ( -2.256 0.000 -5.115) 5.590 4.848 ( 20.249 0.000 -6.461) 21.255 5.253 ( 2.183 0.000 4.172) 4.709 6.151 ( -8.388 0.000 10.703) 13.598 6.356 ( 9.753 0.000 8.425) 12.888 7.855 ( -5.888 0.000 -4.528) 7.428 8.601 ( -6.554 0.000 -18.538) 19.663 8.779 ( -10.530 0.000 35.613) 37.137 9.916 ( 16.387 0.000 23.662) 28.782 9.939 ( 19.779 0.000 16.790) 25.945 10.839 ( -21.845 0.000 -26.399) 34.266 11.255 ( 7.905 0.000 -15.998) 17.844 11.662 ( 15.324 0.000 -22.447) 27.179 32.259 ( 0.007 0.000 2.943) 2.943 32.274 ( 1.366 0.000 2.553) 2.896 32.450 ( -0.702 0.000 -2.901) 2.985 32.456 ( -0.164 0.000 -2.866) 2.871 33.044 ( -2.118 0.000 0.599) 2.201 33.085 ( -3.242 0.000 -0.441) 3.272 36.626 ( 0.650 0.000 3.030) 3.099 36.818 ( -0.046 0.000 -2.972) 2.972 37.313 ( -0.900 0.000 0.288) 0.945 37.324 ( -0.818 0.000 -0.043) 0.819 69.674 ( -1.477 0.000 0.292) 1.505 69.686 ( -1.813 0.000 -0.075) 1.814 70.929 ( 1.380 0.000 -0.099) 1.384 70.958 ( 3.958 0.000 -1.287) 4.162 71.741 ( -1.509 0.000 0.166) 1.518 71.789 ( 3.324 0.000 0.141) 3.327 72.359 ( -4.236 0.000 2.237) 4.790 72.488 ( 0.575 0.000 -1.162) 1.296 ======================= Grid point 509 (87/140) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 9.496 0.000 16.030) 18.631 2.161 ( 19.860 0.000 20.769) 28.736 2.777 ( 1.675 0.000 -13.490) 13.594 3.218 ( 17.295 0.000 -11.395) 20.712 4.024 ( 22.698 0.000 39.536) 45.588 4.528 ( -4.071 0.000 -5.524) 6.862 5.143 ( 5.054 0.000 2.095) 5.471 5.430 ( 16.148 0.000 -2.106) 16.285 5.913 ( -15.460 0.000 10.893) 18.912 6.498 ( 2.788 0.000 -1.941) 3.397 7.762 ( -1.402 0.000 -2.841) 3.168 8.571 ( 3.899 0.000 -14.910) 15.411 8.581 ( -8.608 0.000 21.857) 23.491 10.165 ( -4.099 0.000 -5.021) 6.482 10.448 ( 31.269 0.000 13.726) 34.149 10.512 ( 0.881 0.000 2.814) 2.949 11.475 ( 14.434 0.000 -11.961) 18.746 11.920 ( 10.521 0.000 -14.668) 18.051 32.259 ( 0.077 0.000 2.621) 2.622 32.304 ( 1.485 0.000 1.778) 2.317 32.431 ( -1.276 0.000 -2.617) 2.912 32.451 ( -0.334 0.000 -2.460) 2.482 32.983 ( -3.917 0.000 0.448) 3.943 33.001 ( -4.945 0.000 0.418) 4.963 36.645 ( 1.188 0.000 2.729) 2.977 36.816 ( -0.147 0.000 -2.639) 2.643 37.291 ( -1.285 0.000 0.248) 1.309 37.302 ( -1.343 0.000 -0.049) 1.344 69.634 ( -2.523 0.000 0.059) 2.524 69.640 ( -2.696 0.000 0.079) 2.697 70.969 ( 2.679 0.000 -0.089) 2.680 71.054 ( 5.486 0.000 -3.021) 6.263 71.697 ( -2.901 0.000 0.147) 2.905 71.881 ( 5.843 0.000 0.003) 5.843 72.237 ( -7.507 0.000 2.684) 7.972 72.513 ( 1.631 0.000 -0.280) 1.654 ======================= Grid point 510 (88/140) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 13.749 0.000 9.555) 16.743 2.530 ( 17.827 0.000 20.056) 26.834 2.818 ( 2.431 0.000 -11.192) 11.453 3.526 ( 12.886 0.000 -9.860) 16.226 4.437 ( -4.859 0.000 -6.366) 8.009 4.491 ( 23.091 0.000 29.953) 37.821 5.186 ( 1.461 0.000 11.264) 11.359 5.558 ( -20.031 0.000 8.419) 21.728 5.667 ( 6.443 0.000 -8.476) 10.647 6.459 ( -5.915 0.000 -18.703) 19.616 7.844 ( 9.224 0.000 0.434) 9.234 8.456 ( -3.926 0.000 9.886) 10.637 8.686 ( 5.501 0.000 -6.204) 8.292 9.792 ( -23.451 0.000 -30.978) 38.853 10.826 ( 20.622 0.000 27.919) 34.709 11.142 ( 37.714 0.000 9.147) 38.807 11.823 ( 20.506 0.000 -7.515) 21.839 12.072 ( 4.833 0.000 -7.129) 8.613 32.262 ( 0.254 0.000 2.114) 2.129 32.329 ( 1.092 0.000 1.298) 1.696 32.402 ( -1.631 0.000 -2.161) 2.708 32.443 ( -0.525 0.000 -1.799) 1.874 32.890 ( -5.296 0.000 0.641) 5.335 32.903 ( -4.828 0.000 0.370) 4.842 36.672 ( 1.533 0.000 2.251) 2.724 36.811 ( -0.340 0.000 -2.117) 2.144 37.265 ( -1.277 0.000 0.155) 1.286 37.274 ( -1.442 0.000 -0.020) 1.442 69.579 ( -2.835 0.000 0.000) 2.835 69.586 ( -2.712 0.000 0.067) 2.713 71.034 ( 3.816 0.000 -0.073) 3.817 71.167 ( 5.914 0.000 -3.699) 6.976 71.628 ( -4.072 0.000 0.119) 4.074 72.002 ( 4.358 0.000 -0.597) 4.398 72.088 ( -5.632 0.000 2.697) 6.245 72.541 ( 0.911 0.000 0.469) 1.025 ======================= Grid point 511 (89/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 16.244 0.000 4.151) 16.766 2.867 ( 2.143 0.000 -7.887) 8.173 2.871 ( 16.875 0.000 17.266) 24.143 3.693 ( 3.553 0.000 -6.407) 7.326 4.350 ( -3.568 0.000 -7.786) 8.565 4.884 ( 15.845 0.000 21.411) 26.636 5.143 ( -21.431 0.000 2.786) 21.612 5.227 ( 2.581 0.000 12.404) 12.670 5.742 ( 3.194 0.000 -12.850) 13.241 6.306 ( -8.630 0.000 -24.764) 26.225 8.067 ( 12.005 0.000 1.054) 12.051 8.428 ( 1.056 0.000 -0.233) 1.081 8.733 ( -1.109 0.000 0.212) 1.129 9.342 ( -21.521 0.000 -29.377) 36.417 11.226 ( 19.379 0.000 25.679) 32.171 11.866 ( 33.947 0.000 5.275) 34.355 12.110 ( -0.990 0.000 0.358) 1.053 12.247 ( 21.039 0.000 -3.611) 21.347 32.270 ( 0.544 0.000 1.462) 1.560 32.348 ( 0.944 0.000 1.001) 1.376 32.368 ( -1.731 0.000 -1.559) 2.329 32.430 ( -0.735 0.000 -1.004) 1.244 32.790 ( -4.555 0.000 0.580) 4.592 32.810 ( -4.443 0.000 0.125) 4.445 36.704 ( 1.651 0.000 1.627) 2.318 36.802 ( -0.625 0.000 -1.451) 1.580 37.242 ( -1.016 0.000 0.101) 1.021 37.247 ( -1.167 0.000 0.039) 1.167 69.528 ( -2.235 0.000 0.067) 2.236 69.536 ( -2.274 0.000 -0.028) 2.274 71.118 ( 4.718 0.000 -0.050) 4.718 71.288 ( 6.406 0.000 -3.495) 7.297 71.538 ( -4.939 0.000 0.084) 4.940 71.895 ( -8.487 0.000 0.368) 8.495 72.171 ( 7.298 0.000 0.671) 7.329 72.543 ( -0.820 0.000 0.851) 1.182 ======================= Grid point 512 (90/140) ======================= q-point: ( 0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 14.715 0.000 1.260) 14.769 2.884 ( -1.037 0.000 -3.928) 4.063 3.193 ( 15.568 0.000 12.694) 20.087 3.664 ( -6.165 0.000 0.124) 6.166 4.322 ( 1.597 0.000 -9.394) 9.528 4.740 ( -18.685 0.000 -4.127) 19.135 5.114 ( 8.114 0.000 11.976) 14.466 5.263 ( 0.322 0.000 7.450) 7.457 5.839 ( 6.797 0.000 -13.821) 15.402 6.141 ( -7.946 0.000 -21.568) 22.985 8.292 ( 10.667 0.000 1.678) 10.798 8.499 ( 6.223 0.000 -9.092) 11.018 8.651 ( -6.709 0.000 2.409) 7.128 8.959 ( -17.074 0.000 -24.200) 29.617 11.577 ( 16.077 0.000 20.728) 26.232 12.034 ( -6.594 0.000 7.651) 10.100 12.420 ( 21.148 0.000 2.830) 21.336 12.587 ( 11.901 0.000 -0.823) 11.930 32.284 ( 0.914 0.000 0.715) 1.161 32.335 ( -1.597 0.000 -0.848) 1.808 32.368 ( 1.094 0.000 0.738) 1.319 32.413 ( -0.996 0.000 -0.227) 1.021 32.720 ( -2.412 0.000 0.271) 2.427 32.735 ( -2.972 0.000 0.000) 2.972 36.736 ( 1.557 0.000 0.898) 1.797 36.786 ( -0.968 0.000 -0.692) 1.189 37.226 ( -0.535 0.000 0.100) 0.544 37.229 ( -0.672 0.000 0.088) 0.678 69.494 ( -1.138 0.000 0.068) 1.140 69.499 ( -1.365 0.000 -0.034) 1.365 71.218 ( 5.320 0.000 -0.022) 5.320 71.421 ( 7.093 0.000 -2.809) 7.629 71.435 ( -5.448 0.000 0.047) 5.448 71.728 ( -8.352 0.000 -0.714) 8.383 72.311 ( 6.629 0.000 0.651) 6.660 72.506 ( -2.960 0.000 0.918) 3.099 ======================= Grid point 513 (91/140) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -8.111 0.000 -0.606) 8.134 2.798 ( 8.111 0.000 -0.606) 8.134 3.474 ( -12.473 0.000 6.931) 14.270 3.474 ( 12.473 0.000 6.931) 14.270 4.441 ( -10.832 0.000 -8.915) 14.029 4.441 ( 10.832 0.000 -8.915) 14.029 5.228 ( -3.791 0.000 5.830) 6.954 5.228 ( 3.791 0.000 5.830) 6.954 5.988 ( -7.765 0.000 -16.045) 17.825 5.988 ( 7.765 0.000 -16.045) 17.825 8.489 ( -9.306 0.000 2.428) 9.618 8.489 ( 9.306 0.000 2.428) 9.618 8.675 ( -11.677 0.000 -17.144) 20.743 8.675 ( 11.677 0.000 -17.144) 20.743 11.853 ( -11.706 0.000 14.541) 18.668 11.853 ( 11.706 0.000 14.541) 18.668 12.672 ( -4.033 0.000 1.079) 4.175 12.672 ( 4.033 0.000 1.079) 4.175 32.306 ( -1.295 0.000 -0.073) 1.297 32.306 ( 1.295 0.000 -0.073) 1.297 32.391 ( -1.192 0.000 0.372) 1.249 32.391 ( 1.192 0.000 0.372) 1.249 32.700 ( -0.467 0.000 0.029) 0.468 32.700 ( 0.467 0.000 0.029) 0.468 36.764 ( -1.304 0.000 0.109) 1.309 36.764 ( 1.304 0.000 0.109) 1.309 37.222 ( -0.073 0.000 0.107) 0.129 37.222 ( 0.073 0.000 0.107) 0.129 69.484 ( -0.150 0.000 0.017) 0.151 69.484 ( 0.150 0.000 0.017) 0.151 71.326 ( -5.574 0.000 0.011) 5.574 71.326 ( 5.574 0.000 0.011) 5.574 71.568 ( -7.801 0.000 -1.845) 8.016 71.568 ( 7.801 0.000 -1.845) 8.016 72.427 ( -5.029 0.000 0.803) 5.093 72.427 ( 5.029 0.000 0.803) 5.093 ======================= Grid point 521 (92/140) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 11.178 11.178 20.494) 25.882 1.836 ( 12.861 12.861 18.223) 25.747 2.888 ( 6.623 6.623 -13.029) 16.046 2.906 ( 6.904 6.904 -13.516) 16.674 3.766 ( 10.909 10.909 45.830) 48.357 4.780 ( 7.407 7.407 -4.873) 11.553 4.880 ( 11.613 11.613 -8.396) 18.444 5.257 ( 1.009 1.009 5.978) 6.146 6.210 ( -0.803 -0.803 9.531) 9.599 6.363 ( 5.151 5.151 7.050) 10.138 7.790 ( -5.492 -5.492 -4.982) 9.227 8.504 ( -7.061 -7.061 -16.474) 19.264 8.771 ( -1.927 -1.927 32.189) 32.304 9.857 ( 6.876 6.876 17.238) 19.792 10.266 ( 19.943 19.943 20.860) 35.079 10.713 ( -12.788 -12.788 -27.373) 32.808 11.272 ( 4.911 4.911 -15.455) 16.944 11.791 ( 9.916 9.916 -18.103) 22.899 32.264 ( 0.256 0.256 2.852) 2.874 32.279 ( 0.759 0.759 2.217) 2.463 32.444 ( -0.659 -0.659 -2.708) 2.863 32.453 ( -0.235 -0.235 -2.844) 2.864 33.022 ( -2.101 -2.101 0.538) 3.020 33.053 ( -3.029 -3.029 -0.034) 4.283 36.633 ( 0.630 0.630 2.932) 3.064 36.818 ( -0.002 -0.002 -2.882) 2.882 37.304 ( -0.830 -0.830 0.283) 1.207 37.316 ( -0.802 -0.802 -0.049) 1.135 69.659 ( -1.455 -1.455 0.232) 2.071 69.668 ( -1.760 -1.760 -0.048) 2.490 70.935 ( 0.950 0.950 0.378) 1.396 70.999 ( 3.571 3.571 -2.525) 5.646 71.772 ( 0.830 0.830 0.212) 1.193 71.777 ( 1.131 1.131 0.066) 1.600 72.347 ( -2.031 -2.031 3.092) 4.220 72.468 ( -1.031 -1.031 -1.429) 2.041 ======================= Grid point 522 (93/140) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 9.492 18.997 14.231) 25.564 2.211 ( 19.470 5.186 18.257) 27.190 2.907 ( 0.846 12.027 -11.989) 17.003 3.209 ( 16.709 -0.816 -10.976) 20.008 4.084 ( 20.233 6.499 38.284) 43.787 4.766 ( -2.963 20.330 -5.874) 21.368 5.143 ( 3.471 1.132 1.638) 4.001 5.407 ( 15.363 -1.954 -2.181) 15.640 6.082 ( -9.440 13.942 8.842) 19.018 6.475 ( 1.693 -1.490 -2.964) 3.724 7.708 ( -0.996 -4.327 -2.743) 5.219 8.412 ( -1.143 -13.610 -4.721) 14.451 8.727 ( -1.445 12.468 14.373) 19.082 10.140 ( 13.216 -0.316 7.971) 15.437 10.389 ( -8.620 -0.637 -16.918) 18.999 10.730 ( 23.976 14.121 16.368) 32.283 11.464 ( 13.856 0.561 -11.703) 18.146 11.977 ( 8.123 4.769 -11.614) 14.954 32.266 ( -0.002 0.566 2.503) 2.566 32.301 ( 1.202 -0.234 1.723) 2.114 32.425 ( -1.264 -0.596 -2.374) 2.754 32.447 ( -0.384 -0.364 -2.524) 2.579 32.963 ( -3.907 -2.056 0.404) 4.434 32.974 ( -4.718 -2.629 0.571) 5.432 36.650 ( 1.150 0.571 2.643) 2.938 36.817 ( -0.112 0.074 -2.586) 2.589 37.283 ( -1.231 -0.716 0.218) 1.441 37.294 ( -1.321 -0.764 -0.050) 1.527 69.619 ( -2.518 -1.407 0.032) 2.884 69.623 ( -2.601 -1.644 0.063) 3.077 70.969 ( 2.463 0.263 0.613) 2.552 71.083 ( 4.681 2.511 -3.841) 6.556 71.733 ( -2.705 3.593 0.141) 4.499 71.869 ( 5.949 -1.214 0.005) 6.072 72.256 ( -6.673 1.639 3.016) 7.504 72.477 ( 1.514 -3.419 -0.521) 3.776 ======================= Grid point 523 (94/140) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 12.377 18.185 7.985) 23.402 2.572 ( 17.417 4.484 18.358) 25.700 2.930 ( 1.373 10.274 -9.617) 14.139 3.508 ( 12.658 -1.475 -9.520) 15.907 4.506 ( 20.961 1.796 29.636) 36.344 4.697 ( -3.794 23.105 -6.515) 24.304 5.150 ( -0.543 -2.778 10.768) 11.134 5.580 ( -1.110 0.940 -8.198) 8.326 5.878 ( -9.693 20.168 6.584) 23.325 6.424 ( -5.464 -2.763 -18.082) 19.090 7.784 ( 8.286 -5.400 -0.236) 9.893 8.437 ( 2.327 -11.161 5.326) 12.584 8.731 ( 1.368 13.735 1.116) 13.848 9.897 ( -20.481 10.075 -28.822) 36.765 10.740 ( 25.655 -5.338 21.068) 33.623 11.280 ( 31.292 10.572 11.210) 34.880 11.803 ( 19.892 -1.090 -7.971) 21.457 12.098 ( 4.163 2.108 -4.639) 6.580 32.266 ( 0.120 0.387 2.008) 2.048 32.323 ( 0.983 -0.610 1.346) 1.775 32.396 ( -1.603 -0.558 -1.915) 2.559 32.438 ( -0.563 -0.455 -1.921) 2.053 32.869 ( -5.271 -2.164 0.716) 5.743 32.881 ( -4.706 -2.168 0.297) 5.189 36.677 ( 1.481 0.479 2.183) 2.681 36.813 ( -0.331 0.117 -2.079) 2.108 37.258 ( -1.257 -0.654 0.117) 1.421 37.266 ( -1.424 -0.726 -0.022) 1.599 69.565 ( -2.804 -1.406 0.020) 3.137 69.571 ( -2.636 -1.449 0.004) 3.008 71.030 ( 3.657 -0.189 0.615) 3.714 71.179 ( 4.939 1.029 -4.116) 6.511 71.670 ( -3.591 4.150 0.087) 5.488 71.997 ( 6.101 -0.719 -0.455) 6.160 72.112 ( -6.937 2.510 2.486) 7.785 72.507 ( 1.200 -3.306 0.393) 3.539 ======================= Grid point 524 (95/140) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 13.508 14.556 3.974) 20.252 2.903 ( 14.977 4.373 14.499) 21.300 2.961 ( 2.708 7.966 -4.817) 9.695 3.675 ( 3.787 -1.308 -6.343) 7.502 4.624 ( -3.084 24.679 -7.062) 25.854 4.860 ( 13.815 -1.476 21.509) 25.606 5.145 ( -0.575 -4.213 7.900) 8.971 5.378 ( -14.764 16.415 3.097) 22.294 5.787 ( 0.060 5.458 -9.759) 11.182 6.289 ( -7.770 -0.542 -22.791) 24.086 7.990 ( 11.369 -7.257 0.517) 13.497 8.481 ( 2.061 -5.074 2.405) 5.982 8.745 ( -0.372 11.658 -0.934) 11.701 9.504 ( -18.859 15.375 -27.105) 36.424 11.202 ( 20.840 -1.876 22.517) 30.739 11.916 ( 30.925 4.603 5.468) 31.741 12.090 ( 1.439 -1.680 -0.951) 2.408 12.258 ( 18.633 0.997 -1.801) 18.746 32.271 ( 0.412 0.128 1.402) 1.467 32.340 ( 0.807 -0.746 0.953) 1.454 32.364 ( -1.563 -0.455 -1.254) 2.055 32.425 ( -0.751 -0.510 -1.157) 1.470 32.770 ( -4.520 -2.067 0.603) 5.007 32.790 ( -4.412 -2.070 0.082) 4.875 36.707 ( 1.595 0.369 1.582) 2.276 36.803 ( -0.626 0.126 -1.417) 1.555 37.235 ( -1.016 -0.639 0.061) 1.202 37.240 ( -1.155 -0.700 0.027) 1.351 69.514 ( -2.194 -1.321 0.071) 2.562 69.522 ( -2.224 -1.344 -0.071) 2.599 71.111 ( 4.500 -0.576 0.527) 4.567 71.274 ( 4.539 -1.018 -3.448) 5.790 71.598 ( -3.413 5.481 -0.157) 6.459 71.933 ( -8.043 3.607 0.201) 8.817 72.160 ( 7.181 -1.120 0.684) 7.300 72.515 ( -0.497 -2.716 0.813) 2.878 ======================= Grid point 525 (96/140) ======================= q-point: ( 0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 12.039 9.659 2.102) 15.577 2.953 ( -1.535 6.493 -2.326) 7.066 3.225 ( 14.843 3.481 11.430) 19.054 3.656 ( -5.397 -0.308 0.006) 5.406 4.599 ( 1.334 25.259 -7.876) 26.492 4.944 ( -11.890 14.834 -4.040) 19.436 5.094 ( 4.260 0.102 10.503) 11.334 5.229 ( -1.395 -1.934 11.290) 11.539 5.850 ( 5.791 1.426 -14.345) 15.535 6.134 ( -7.689 0.335 -20.587) 21.978 8.202 ( 9.863 -7.876 1.629) 12.727 8.489 ( -2.611 -9.107 0.956) 9.522 8.756 ( 3.474 18.728 -7.103) 20.328 9.165 ( -15.333 18.892 -22.032) 32.823 11.566 ( 16.156 -0.965 19.287) 25.178 12.019 ( -6.506 -1.347 7.747) 10.206 12.441 ( 20.111 1.914 2.078) 20.309 12.589 ( 12.036 0.214 -0.894) 12.071 32.283 ( 0.800 -0.115 0.721) 1.083 32.330 ( -1.470 -0.506 -0.654) 1.687 32.363 ( 1.051 -0.572 0.695) 1.384 32.408 ( -1.002 -0.531 -0.360) 1.190 32.699 ( -2.407 -2.031 0.277) 3.162 32.715 ( -2.960 -2.034 -0.031) 3.591 36.738 ( 1.508 0.262 0.878) 1.765 36.788 ( -0.958 0.137 -0.667) 1.175 37.220 ( -0.542 -0.649 0.061) 0.848 37.222 ( -0.663 -0.681 0.061) 0.952 69.481 ( -1.116 -1.256 0.060) 1.681 69.486 ( -1.334 -1.270 -0.060) 1.843 71.204 ( 4.826 -1.153 0.368) 4.976 71.335 ( 0.656 -3.562 -1.577) 3.950 71.562 ( 0.754 7.521 -1.188) 7.651 71.775 ( -7.712 4.476 -0.798) 8.952 72.297 ( 6.502 -1.333 0.629) 6.667 72.484 ( -2.685 -2.130 0.890) 3.541 ======================= Grid point 526 (97/140) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -7.129 6.557 0.440) 9.696 2.870 ( 7.129 6.557 0.440) 9.696 3.486 ( -11.304 1.625 6.439) 13.110 3.486 ( 11.304 1.625 6.439) 13.110 4.703 ( -9.467 23.832 -8.076) 26.885 4.703 ( 9.467 23.832 -8.076) 26.885 5.186 ( -3.562 -4.200 8.297) 9.958 5.186 ( 3.562 -4.200 8.297) 9.958 5.986 ( -7.416 0.486 -16.512) 18.108 5.986 ( 7.416 0.486 -16.512) 18.108 8.377 ( -7.791 -8.930 2.041) 12.026 8.377 ( 7.791 -8.930 2.041) 12.026 8.904 ( -10.892 20.375 -15.521) 27.833 8.904 ( 10.892 20.375 -15.521) 27.833 11.839 ( -11.576 -1.160 14.012) 18.212 11.839 ( 11.576 -1.160 14.012) 18.212 12.679 ( -3.592 0.710 0.576) 3.706 12.679 ( 3.592 0.710 0.576) 3.706 32.303 ( -1.200 -0.319 0.010) 1.241 32.303 ( 1.200 -0.319 0.010) 1.241 32.386 ( -1.206 -0.559 0.301) 1.363 32.386 ( 1.206 -0.559 0.301) 1.363 32.680 ( -0.466 -2.026 0.013) 2.079 32.680 ( 0.466 -2.026 0.013) 2.079 36.766 ( -1.274 0.180 0.114) 1.291 36.766 ( 1.274 0.180 0.114) 1.291 37.215 ( -0.065 -0.665 0.071) 0.672 37.215 ( 0.065 -0.665 0.071) 0.672 69.472 ( -0.146 -1.237 0.001) 1.246 69.472 ( 0.146 -1.237 0.001) 1.246 71.294 ( -3.979 -2.385 -0.025) 4.639 71.294 ( 3.979 -2.385 -0.025) 4.639 71.637 ( -6.034 5.984 -1.647) 8.657 71.637 ( 6.034 5.984 -1.647) 8.657 72.410 ( -4.826 -1.659 0.780) 5.162 72.410 ( 4.826 -1.659 0.780) 5.162 ======================= Grid point 535 (98/140) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 16.120 16.120 13.867) 26.684 2.367 ( 12.803 12.803 11.777) 21.599 3.178 ( 5.875 5.875 -9.020) 12.264 3.206 ( 8.778 8.778 -10.155) 16.039 4.283 ( 13.242 13.242 34.202) 38.993 5.005 ( 1.005 1.005 3.163) 3.468 5.342 ( 10.182 10.182 -16.740) 22.081 5.369 ( 5.395 5.395 5.940) 9.670 6.305 ( 7.306 7.306 1.874) 10.501 6.462 ( -1.694 -1.694 -5.190) 5.716 7.659 ( 0.301 0.301 0.897) 0.993 8.128 ( -11.518 -11.518 2.058) 16.418 8.995 ( 12.186 12.186 9.041) 19.461 10.246 ( 9.486 9.486 1.310) 13.479 10.356 ( -1.015 -1.015 -12.191) 12.275 11.046 ( 18.740 18.740 9.390) 28.116 11.560 ( 9.719 9.719 -6.797) 15.334 12.072 ( 4.283 4.283 -6.188) 8.660 32.276 ( 0.338 0.338 2.212) 2.263 32.298 ( 0.092 0.092 1.570) 1.576 32.407 ( -1.211 -1.211 -1.845) 2.518 32.438 ( -0.524 -0.524 -2.510) 2.617 32.903 ( -4.395 -4.395 0.837) 6.272 32.905 ( -3.737 -3.737 0.250) 5.291 36.666 ( 1.036 1.036 2.389) 2.803 36.818 ( -0.035 -0.035 -2.357) 2.358 37.264 ( -1.138 -1.138 0.126) 1.614 37.273 ( -1.272 -1.272 -0.045) 1.799 69.580 ( -2.560 -2.560 0.036) 3.621 69.582 ( -2.323 -2.323 -0.035) 3.286 70.988 ( 1.704 1.704 1.338) 2.756 71.141 ( 3.140 3.140 -4.560) 6.365 71.820 ( 1.595 1.595 0.418) 2.294 71.846 ( 2.358 2.358 -0.357) 3.353 72.272 ( -1.504 -1.504 3.878) 4.423 72.409 ( -1.943 -1.943 -1.374) 3.073 ======================= Grid point 536 (99/140) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 9.738 18.148 7.356) 21.870 2.711 ( 17.433 9.824 13.786) 24.300 3.170 ( -0.927 12.551 -6.693) 14.254 3.482 ( 12.534 -0.679 -8.616) 15.224 4.567 ( 14.227 4.347 27.339) 31.124 4.988 ( -0.947 -2.571 8.178) 8.624 5.291 ( -3.741 21.561 -2.022) 21.977 5.603 ( 6.306 1.843 -14.757) 16.153 6.274 ( -13.887 11.226 -1.747) 17.942 6.446 ( 2.912 11.171 -7.665) 13.857 7.676 ( 1.796 -3.959 0.558) 4.383 8.082 ( 5.735 -21.311 7.162) 23.202 9.154 ( 4.300 25.031 3.233) 25.602 10.144 ( -11.225 13.127 -24.427) 29.916 10.700 ( 25.520 2.986 15.286) 29.897 11.486 ( 25.653 10.057 3.175) 27.736 11.831 ( 16.767 5.212 -3.357) 17.877 12.136 ( 2.481 1.503 -0.317) 2.918 32.276 ( -0.174 0.600 1.716) 1.827 32.307 ( 0.709 -0.903 1.429) 1.833 32.379 ( -1.540 -1.155 -1.307) 2.327 32.426 ( -0.655 -0.645 -2.161) 2.348 32.807 ( -5.073 -3.957 0.856) 6.490 32.822 ( -4.573 -3.737 0.108) 5.906 36.690 ( 1.328 0.860 1.982) 2.536 36.815 ( -0.294 0.032 -1.900) 1.923 37.241 ( -1.223 -1.085 0.014) 1.635 37.246 ( -1.386 -1.225 -0.027) 1.850 69.527 ( -2.666 -2.333 0.058) 3.543 69.533 ( -2.519 -2.265 -0.123) 3.390 71.035 ( 3.054 0.888 1.553) 3.539 71.203 ( 3.159 1.430 -4.317) 5.538 71.780 ( -2.729 6.567 0.082) 7.112 71.972 ( 7.212 -1.673 -0.289) 7.409 72.179 ( -6.635 3.896 2.183) 7.998 72.418 ( 1.581 -5.444 0.031) 5.669 ======================= Grid point 537 (100/140) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 8.724 14.732 6.156) 18.195 3.042 ( 15.774 9.622 12.287) 22.190 3.151 ( -0.977 10.162 -3.557) 10.811 3.658 ( 4.822 -0.013 -6.264) 7.905 4.800 ( 8.943 -2.605 19.020) 21.178 4.999 ( 2.206 -7.028 10.967) 13.211 5.216 ( -3.623 25.096 0.167) 25.357 5.659 ( -0.833 11.356 -16.795) 20.291 5.965 ( -13.310 8.889 -3.918) 16.478 6.411 ( -6.191 16.984 -11.552) 21.453 7.792 ( 9.382 -12.602 0.325) 15.715 8.207 ( 4.618 -18.236 6.906) 20.039 9.207 ( 2.184 29.973 -1.981) 30.118 9.901 ( -12.867 23.497 -22.615) 35.059 11.185 ( 22.114 1.275 16.751) 27.771 12.022 ( 27.111 5.141 0.768) 27.605 12.063 ( 1.089 0.066 0.952) 1.448 12.284 ( 16.598 1.673 0.792) 16.701 32.275 ( 0.048 0.173 1.269) 1.282 32.322 ( 0.742 -1.021 0.986) 1.601 32.349 ( -1.398 -1.060 -0.676) 1.880 32.412 ( -0.794 -0.710 -1.537) 1.870 32.711 ( -4.423 -3.758 0.652) 5.840 32.732 ( -4.351 -3.669 -0.036) 5.692 36.718 ( 1.427 0.647 1.450) 2.135 36.806 ( -0.604 0.079 -1.274) 1.412 37.218 ( -1.025 -1.083 -0.050) 1.492 37.221 ( -1.126 -1.190 -0.014) 1.639 69.479 ( -2.075 -2.160 0.071) 2.996 69.487 ( -2.120 -2.157 -0.148) 3.028 71.105 ( 3.919 0.174 1.414) 4.170 71.260 ( 2.382 -0.296 -3.232) 4.026 71.731 ( -1.940 7.489 -0.282) 7.741 72.023 ( -6.514 5.102 -0.266) 8.278 72.130 ( 6.378 -1.629 0.785) 6.629 72.440 ( 0.332 -4.776 0.691) 4.837 ======================= Grid point 538 (101/140) ======================= q-point: ( 0.42 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 7.776 11.007 5.952) 14.733 3.109 ( -2.841 8.461 1.270) 9.015 3.336 ( 12.967 7.569 8.002) 17.014 3.670 ( -3.266 2.042 -0.902) 3.956 4.943 ( 6.277 -5.595 12.905) 15.403 5.047 ( 1.771 -8.425 10.507) 13.584 5.167 ( -0.682 25.141 -1.254) 25.182 5.480 ( -14.025 20.145 -2.874) 24.714 5.915 ( 5.686 5.841 -16.634) 18.524 6.250 ( -9.187 14.469 -16.229) 23.603 7.991 ( 9.704 -13.493 2.721) 16.842 8.236 ( -1.610 -15.373 5.526) 16.415 9.276 ( 5.454 31.800 -8.264) 33.306 9.650 ( -12.321 28.900 -19.289) 36.866 11.558 ( 15.899 0.855 15.805) 22.434 11.995 ( -6.461 -0.631 7.926) 10.246 12.485 ( 18.197 2.266 -0.536) 18.346 12.598 ( 12.027 0.828 -0.896) 12.089 32.280 ( 0.483 -0.255 0.789) 0.960 32.316 ( -1.221 -0.881 -0.206) 1.520 32.347 ( 1.053 -0.968 0.604) 1.553 32.394 ( -1.043 -0.753 -0.730) 1.479 32.642 ( -2.381 -3.689 0.289) 4.400 32.658 ( -2.940 -3.626 -0.122) 4.669 36.745 ( 1.359 0.432 0.826) 1.648 36.791 ( -0.907 0.141 -0.571) 1.081 37.202 ( -0.565 -1.111 -0.047) 1.247 37.204 ( -0.640 -1.159 -0.027) 1.325 69.448 ( -1.055 -2.049 0.042) 2.305 69.453 ( -1.266 -2.061 -0.105) 2.421 71.185 ( 4.019 -0.539 0.991) 4.174 71.286 ( -0.069 -1.505 -1.468) 2.104 71.718 ( 0.993 8.097 -0.992) 8.218 71.887 ( -6.623 6.396 -0.856) 9.247 72.260 ( 6.126 -2.291 0.519) 6.561 72.425 ( -1.926 -3.773 0.797) 4.311 ======================= Grid point 539 (102/140) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( -5.714 8.491 4.276) 11.092 3.025 ( 5.714 8.491 4.276) 11.092 3.549 ( -8.605 4.858 4.399) 10.816 3.549 ( 8.605 4.858 4.399) 10.816 5.039 ( -2.878 -6.761 10.644) 12.934 5.039 ( 2.878 -6.761 10.644) 12.934 5.240 ( -8.846 21.932 -2.126) 23.745 5.240 ( 8.846 21.932 -2.126) 23.745 6.069 ( -8.899 10.231 -17.798) 22.375 6.069 ( 8.899 10.231 -17.798) 22.375 8.153 ( -6.477 -13.650 4.553) 15.780 8.153 ( 6.477 -13.650 4.553) 15.780 9.428 ( -9.803 31.380 -14.483) 35.924 9.428 ( 9.803 31.380 -14.483) 35.924 11.822 ( -11.039 -0.070 12.544) 16.710 11.822 ( 11.039 -0.070 12.544) 16.710 12.697 ( -2.776 1.027 -0.885) 3.090 12.697 ( 2.776 1.027 -0.885) 3.090 32.294 ( -0.942 -0.610 0.271) 1.155 32.294 ( 0.942 -0.610 0.271) 1.155 32.371 ( -1.285 -0.853 0.071) 1.544 32.371 ( 1.285 -0.853 0.071) 1.544 32.623 ( -0.484 -3.643 -0.039) 3.675 32.623 ( 0.484 -3.643 -0.039) 3.675 36.770 ( -1.170 0.256 0.143) 1.206 36.770 ( 1.170 0.256 0.143) 1.206 37.197 ( -0.045 -1.137 -0.036) 1.138 37.197 ( 0.045 -1.137 -0.036) 1.138 69.438 ( -0.138 -2.017 -0.027) 2.022 69.438 ( 0.138 -2.017 -0.027) 2.022 71.255 ( -2.845 -1.309 0.125) 3.135 71.255 ( 2.845 -1.309 0.125) 3.135 71.774 ( -4.549 7.476 -1.333) 8.852 71.774 ( 4.549 7.476 -1.333) 8.852 72.364 ( -4.247 -2.913 0.680) 5.195 72.364 ( 4.247 -2.913 0.680) 5.195 ======================= Grid point 549 (103/140) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 9.794 9.794 9.173) 16.613 2.973 ( 15.331 15.331 9.266) 23.579 3.333 ( 2.018 2.018 -2.678) 3.914 3.540 ( 7.795 7.795 -8.850) 14.137 4.664 ( 4.943 4.943 22.757) 23.807 4.889 ( -5.128 -5.128 14.226) 15.968 5.528 ( 0.844 0.844 -2.677) 2.931 5.726 ( 10.471 10.471 -22.221) 26.703 6.348 ( -1.664 -1.664 -0.978) 2.549 6.726 ( 11.882 11.882 -6.370) 17.970 7.684 ( -9.867 -9.867 8.105) 16.137 7.693 ( -1.074 -1.074 4.459) 4.711 9.586 ( 16.321 16.321 1.692) 23.144 10.335 ( 5.201 5.201 -19.970) 21.282 10.910 ( 17.647 17.647 12.047) 27.712 11.723 ( 15.804 15.804 -7.013) 23.425 12.017 ( 12.613 12.613 2.262) 17.980 12.153 ( 0.409 0.409 4.006) 4.048 32.289 ( 0.297 0.297 1.221) 1.292 32.290 ( -0.410 -0.410 1.516) 1.623 32.353 ( -1.474 -1.474 -0.679) 2.192 32.413 ( -0.717 -0.717 -2.176) 2.401 32.719 ( -4.794 -4.794 0.847) 6.832 32.739 ( -4.520 -4.520 -0.054) 6.392 36.710 ( 1.088 1.088 1.663) 2.265 36.813 ( -0.226 -0.226 -1.516) 1.549 37.217 ( -1.210 -1.210 -0.119) 1.715 37.220 ( -1.354 -1.354 -0.038) 1.915 69.478 ( -2.460 -2.460 0.067) 3.480 69.486 ( -2.420 -2.420 -0.187) 3.427 71.066 ( 2.257 2.257 1.961) 3.746 71.234 ( 1.615 1.615 -3.787) 4.423 71.894 ( 2.081 2.081 0.932) 3.087 71.959 ( 3.260 3.260 -1.147) 4.751 72.234 ( -0.491 -0.491 2.337) 2.438 72.318 ( -2.607 -2.607 -0.790) 3.770 ======================= Grid point 550 (104/140) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 6.993 10.559 9.455) 15.805 3.262 ( 13.210 11.785 8.682) 19.717 3.318 ( -1.654 6.000 0.046) 6.224 3.695 ( 5.809 4.067 -7.319) 10.191 4.741 ( 2.693 -3.190 18.842) 19.299 4.829 ( -0.406 -8.776 17.052) 19.182 5.489 ( -2.906 3.256 -4.216) 6.068 5.926 ( 10.121 12.269 -21.492) 26.737 6.160 ( -15.449 14.330 3.305) 21.329 6.848 ( -2.385 21.511 -6.446) 22.583 7.526 ( 2.336 -12.133 3.058) 12.728 7.834 ( 6.696 -18.722 7.257) 21.167 9.796 ( 6.778 26.897 -1.976) 27.808 10.348 ( -3.488 19.308 -17.810) 26.498 11.300 ( 19.555 11.316 11.877) 25.525 12.080 ( 6.669 4.302 -3.577) 8.705 12.148 ( 13.286 5.366 2.429) 14.533 12.336 ( 16.366 4.269 1.381) 16.970 32.277 ( -0.441 0.004 1.298) 1.370 32.304 ( 0.744 -0.699 0.787) 1.289 32.324 ( -1.280 -1.384 -0.099) 1.888 32.398 ( -0.800 -0.700 -1.849) 2.132 32.627 ( -4.316 -4.645 0.670) 6.376 32.650 ( -4.282 -4.444 -0.185) 6.174 36.732 ( 1.159 0.791 1.247) 1.878 36.806 ( -0.525 -0.131 -0.972) 1.112 37.195 ( -1.060 -1.229 -0.184) 1.633 37.196 ( -1.088 -1.328 -0.105) 1.720 69.434 ( -1.925 -2.286 0.063) 2.989 69.442 ( -2.009 -2.308 -0.182) 3.066 71.121 ( 3.199 1.493 1.870) 3.995 71.263 ( 1.151 0.501 -2.671) 2.951 71.878 ( -1.242 7.049 0.238) 7.162 72.079 ( 5.667 -0.690 -0.930) 5.784 72.143 ( -5.198 4.142 0.708) 6.684 72.334 ( 1.436 -5.844 0.501) 6.039 ======================= Grid point 551 (105/140) ======================= q-point: ( 0.42 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 5.460 9.744 9.967) 14.970 3.263 ( -3.092 6.965 5.136) 9.190 3.505 ( 10.416 9.001 4.973) 14.637 3.742 ( -0.977 5.125 -3.254) 6.149 4.794 ( 3.048 -8.787 18.553) 20.754 4.845 ( 0.943 -11.269 16.233) 19.784 5.459 ( 0.761 6.262 -3.162) 7.056 5.816 ( -16.392 12.470 2.635) 20.764 6.156 ( 12.051 18.754 -18.111) 28.722 6.671 ( -12.623 23.972 -10.566) 29.080 7.687 ( 10.219 -16.298 4.082) 19.665 7.909 ( 0.524 -17.261 6.837) 18.573 9.916 ( 6.330 30.453 -7.234) 31.935 10.226 ( -8.030 26.955 -15.695) 32.209 11.634 ( 14.106 7.775 11.807) 19.971 12.017 ( -5.931 3.434 8.190) 10.679 12.529 ( 16.345 2.452 -4.626) 17.163 12.626 ( 11.147 2.059 -1.484) 11.432 32.273 ( 0.069 -0.394 1.035) 1.109 32.296 ( -1.041 -1.047 0.288) 1.504 32.327 ( 1.183 -0.924 0.352) 1.542 32.380 ( -1.104 -0.674 -1.157) 1.735 32.559 ( -2.319 -4.591 0.294) 5.152 32.577 ( -2.928 -4.387 -0.262) 5.281 36.754 ( 1.108 0.483 0.761) 1.429 36.793 ( -0.781 0.007 -0.368) 0.864 37.178 ( -0.596 -1.278 -0.164) 1.419 37.179 ( -0.618 -1.291 -0.211) 1.447 69.405 ( -0.982 -2.179 0.029) 2.391 69.409 ( -1.186 -2.208 -0.121) 2.509 71.187 ( 3.313 0.792 1.350) 3.664 71.272 ( -0.404 -0.021 -1.138) 1.208 71.872 ( 0.875 7.271 -0.366) 7.332 72.012 ( -5.665 5.910 -0.689) 8.216 72.212 ( 5.473 -2.384 0.128) 5.971 72.342 ( -0.795 -4.501 0.563) 4.605 ======================= Grid point 552 (106/140) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( -4.262 8.197 8.492) 12.549 3.191 ( 4.262 8.197 8.492) 12.549 3.669 ( -6.134 6.900 1.457) 9.346 3.669 ( 6.134 6.900 1.457) 9.346 4.843 ( -1.402 -11.675 17.214) 20.847 4.843 ( 1.402 -11.675 17.214) 20.847 5.553 ( -9.327 10.485 -0.163) 14.034 5.553 ( 9.327 10.485 -0.163) 14.034 6.409 ( -13.367 21.109 -15.068) 29.177 6.409 ( 13.367 21.109 -15.068) 29.177 7.854 ( -5.984 -15.996 5.931) 18.079 7.854 ( 5.984 -15.996 5.931) 18.079 10.060 ( -8.207 30.157 -12.193) 33.548 10.060 ( 8.207 30.157 -12.193) 33.548 11.865 ( -9.547 5.172 10.515) 15.115 11.865 ( 9.547 5.172 10.515) 15.115 12.720 ( -2.355 1.447 -3.235) 4.255 12.720 ( 2.355 1.447 -3.235) 4.255 32.280 ( -0.605 -0.769 0.683) 1.193 32.280 ( 0.605 -0.769 0.683) 1.193 32.354 ( -1.442 -0.807 -0.286) 1.677 32.354 ( 1.442 -0.807 -0.286) 1.677 32.541 ( -0.574 -4.457 -0.138) 4.496 32.541 ( 0.574 -4.457 -0.138) 4.496 36.775 ( -0.976 0.212 0.219) 1.022 36.775 ( 0.976 0.212 0.219) 1.022 37.172 ( -0.030 -1.287 -0.203) 1.304 37.172 ( 0.030 -1.287 -0.203) 1.304 69.396 ( -0.126 -2.156 -0.039) 2.160 69.396 ( 0.126 -2.156 -0.039) 2.160 71.244 ( -2.305 0.187 0.345) 2.338 71.244 ( 2.305 0.187 0.345) 2.338 71.917 ( -3.688 6.741 -0.763) 7.722 71.917 ( 3.688 6.741 -0.763) 7.722 72.301 ( -3.344 -3.316 0.364) 4.723 72.301 ( 3.344 -3.316 0.364) 4.723 ======================= Grid point 563 (107/140) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 7.330 7.330 10.859) 15.013 3.382 ( 1.266 1.266 3.549) 3.975 3.486 ( 10.505 10.505 6.835) 16.354 3.798 ( 5.119 5.119 -8.010) 10.797 4.678 ( -3.486 -3.486 17.045) 17.744 4.681 ( -5.337 -5.337 23.039) 24.244 5.502 ( 0.379 0.379 -5.028) 5.056 6.117 ( 7.582 7.582 -16.887) 20.003 6.353 ( 1.023 1.023 13.768) 13.844 7.136 ( 8.561 8.561 -10.040) 15.729 7.447 ( -1.299 -1.299 2.756) 3.312 7.498 ( -8.784 -8.784 6.313) 13.935 10.197 ( 13.820 13.820 -2.870) 19.754 10.603 ( 6.437 6.437 -14.686) 17.278 11.597 ( 16.184 16.184 9.674) 24.848 12.165 ( 0.982 0.982 9.807) 9.905 12.305 ( 13.431 13.431 -11.280) 22.091 12.481 ( 10.252 10.252 -1.302) 14.556 32.272 ( -0.429 -0.429 1.575) 1.688 32.297 ( -1.242 -1.242 0.373) 1.795 32.300 ( 0.271 0.271 0.184) 0.425 32.385 ( -0.666 -0.666 -1.886) 2.108 32.536 ( -4.314 -4.314 0.616) 6.132 32.563 ( -4.180 -4.180 -0.331) 5.921 36.748 ( 0.819 0.819 0.992) 1.525 36.800 ( -0.380 -0.380 -0.544) 0.764 37.171 ( -1.103 -1.103 -0.168) 1.568 37.172 ( -1.058 -1.058 -0.365) 1.540 69.393 ( -1.801 -1.801 0.054) 2.547 69.399 ( -1.898 -1.898 -0.158) 2.689 71.161 ( 2.479 2.479 1.846) 3.962 71.275 ( 0.590 0.590 -1.788) 1.974 71.977 ( 1.999 1.999 1.702) 3.300 72.090 ( 3.182 3.182 -1.919) 4.892 72.210 ( -2.786 -2.786 0.433) 3.964 72.227 ( 0.051 0.051 0.002) 0.073 ======================= Grid point 564 (108/140) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 4.713 7.432 11.233) 14.270 3.382 ( -1.078 5.076 6.655) 8.439 3.674 ( 8.337 7.932 3.817) 12.124 3.855 ( 0.196 5.754 -5.797) 8.170 4.610 ( -1.601 -9.547 23.286) 25.218 4.627 ( -1.993 -10.178 17.973) 20.751 5.557 ( 5.962 5.793 -0.415) 8.323 6.042 ( -14.331 12.090 4.356) 19.249 6.451 ( 12.205 6.054 -1.107) 13.669 7.064 ( -15.704 13.007 -3.616) 20.709 7.423 ( 9.333 -7.988 -1.186) 12.342 7.587 ( 3.577 -13.221 2.069) 13.852 10.395 ( 7.726 17.333 -6.236) 19.975 10.628 ( -2.824 12.943 -12.644) 18.313 11.867 ( 10.882 14.448 9.131) 20.262 12.135 ( -3.435 7.586 9.145) 12.368 12.599 ( 13.526 5.208 -8.840) 16.977 12.687 ( 8.785 4.460 -4.329) 10.761 32.265 ( -0.212 -0.391 1.417) 1.485 32.276 ( -0.829 -0.947 0.767) 1.474 32.313 ( 1.050 -0.427 -0.138) 1.142 32.369 ( -1.084 -0.407 -1.456) 1.861 32.468 ( -2.259 -4.440 0.294) 4.990 32.492 ( -2.898 -4.070 -0.447) 5.016 36.764 ( 0.776 0.453 0.692) 1.134 36.791 ( -0.572 -0.168 -0.082) 0.602 37.154 ( -0.599 -1.093 -0.292) 1.280 37.155 ( -0.628 -1.083 -0.428) 1.323 69.365 ( -0.931 -1.735 0.029) 1.969 69.369 ( -1.102 -1.799 -0.095) 2.112 71.214 ( 2.630 1.767 1.391) 3.460 71.279 ( -0.339 0.599 -0.648) 0.946 71.992 ( 0.781 4.470 1.108) 4.671 72.105 ( -4.775 3.068 0.154) 5.678 72.178 ( 4.229 -0.671 -1.083) 4.417 72.259 ( 0.571 -3.333 -0.263) 3.392 ======================= Grid point 565 (109/140) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( -2.961 6.880 9.694) 12.250 3.342 ( 2.961 6.880 9.693) 12.250 3.806 ( -4.880 6.713 -0.878) 8.346 3.806 ( 4.880 6.713 -0.878) 8.346 4.602 ( -0.532 -12.213 20.204) 23.614 4.602 ( 0.532 -12.213 20.204) 23.614 5.749 ( -13.252 10.843 5.262) 17.913 5.749 ( 13.252 10.843 5.262) 17.913 6.739 ( -16.143 8.589 -3.377) 18.594 6.739 ( 16.143 8.589 -3.377) 18.594 7.577 ( -4.677 -9.758 0.287) 10.824 7.577 ( 4.677 -9.758 0.287) 10.824 10.531 ( -6.246 16.588 -9.949) 20.326 10.531 ( 6.246 16.588 -9.949) 20.326 12.036 ( -6.588 11.364 8.862) 15.846 12.036 ( 6.588 11.364 8.862) 15.846 12.762 ( -2.165 3.146 -6.493) 7.533 12.762 ( 2.165 3.146 -6.493) 7.533 32.265 ( -0.270 -0.639 1.112) 1.311 32.265 ( 0.270 -0.639 1.112) 1.311 32.341 ( -1.610 -0.553 -0.581) 1.799 32.341 ( 1.610 -0.553 -0.581) 1.799 32.454 ( -0.796 -4.169 -0.332) 4.258 32.454 ( 0.796 -4.169 -0.332) 4.258 36.778 ( -0.695 0.112 0.338) 0.781 36.778 ( 0.695 0.112 0.338) 0.781 37.148 ( -0.033 -1.091 -0.396) 1.161 37.148 ( 0.033 -1.091 -0.396) 1.161 69.357 ( -0.100 -1.737 -0.024) 1.740 69.357 ( 0.100 -1.737 -0.024) 1.740 71.258 ( -1.765 1.079 0.518) 2.132 71.258 ( 1.765 1.079 0.518) 2.132 72.027 ( -2.930 4.052 0.502) 5.025 72.027 ( 2.930 4.052 0.502) 5.025 72.243 ( -2.147 -2.108 -0.623) 3.073 72.243 ( 2.147 -2.108 -0.623) 3.073 ======================= Grid point 577 (110/140) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 4.739 4.739 10.416) 12.386 3.455 ( 1.986 1.986 7.012) 7.554 3.816 ( 6.565 6.565 1.859) 9.469 3.940 ( 2.179 2.179 -7.377) 7.994 4.443 ( -6.378 -6.378 26.400) 27.898 4.461 ( -6.448 -6.448 18.986) 21.063 5.725 ( 11.515 11.515 6.333) 17.473 6.270 ( 1.094 1.094 -0.376) 1.592 6.388 ( 0.608 0.608 21.581) 21.598 7.018 ( -15.213 -15.213 12.760) 25.014 7.430 ( 6.314 6.314 -12.199) 15.117 7.511 ( 2.598 2.598 -10.256) 10.894 10.628 ( 7.636 7.636 -7.207) 12.983 10.759 ( 1.608 1.608 -10.739) 10.977 12.118 ( 9.522 9.522 8.551) 15.952 12.247 ( 2.639 2.639 9.454) 10.164 12.741 ( 8.073 8.073 -10.692) 15.641 12.795 ( 5.495 5.495 -7.700) 10.940 32.259 ( -0.234 -0.234 1.610) 1.644 32.261 ( -0.515 -0.515 1.160) 1.370 32.313 ( 0.412 0.412 -0.458) 0.741 32.363 ( -0.390 -0.390 -1.653) 1.743 32.392 ( -2.792 -2.792 0.355) 3.965 32.423 ( -2.779 -2.779 -0.679) 3.988 36.772 ( 0.402 0.402 0.601) 0.827 36.786 ( -0.295 -0.295 0.215) 0.469 37.137 ( -0.602 -0.602 -0.451) 0.964 37.138 ( -0.632 -0.632 -0.549) 1.049 69.339 ( -0.922 -0.922 0.025) 1.303 69.341 ( -1.020 -1.020 -0.046) 1.444 71.251 ( 1.858 1.858 1.132) 2.860 71.288 ( 0.150 0.150 -0.039) 0.215 72.043 ( 1.233 1.233 2.423) 2.986 72.111 ( -2.020 -2.020 1.937) 3.452 72.195 ( 1.965 1.965 -2.382) 3.661 72.232 ( 0.141 0.141 -1.844) 1.855 ======================= Grid point 578 (111/140) ======================= q-point: (-0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( -2.001 4.234 8.585) 9.780 3.454 ( 2.001 4.234 8.585) 9.780 3.924 ( -3.737 4.945 -3.628) 7.182 3.924 ( 3.737 4.945 -3.628) 7.182 4.386 ( -0.756 -9.029 23.321) 25.020 4.386 ( 0.756 -9.029 23.321) 25.020 6.004 ( -16.130 14.999 10.667) 24.473 6.004 ( 16.130 14.999 10.667) 24.473 6.673 ( -17.898 -13.042 13.702) 26.042 6.673 ( 17.898 -13.042 13.702) 26.042 7.528 ( -2.220 2.685 -11.748) 12.254 7.528 ( 2.220 2.685 -11.748) 12.254 10.734 ( -3.496 5.257 -9.135) 11.104 10.734 ( 3.496 5.257 -9.135) 11.104 12.239 ( -3.182 7.449 8.493) 11.736 12.239 ( 3.182 7.449 8.493) 11.736 12.847 ( -1.406 4.821 -9.493) 10.739 12.847 ( 1.406 4.821 -9.493) 10.739 32.256 ( -0.024 -0.260 1.461) 1.484 32.256 ( 0.024 -0.260 1.461) 1.484 32.333 ( -1.698 -0.195 -0.528) 1.789 32.333 ( 1.698 -0.195 -0.528) 1.789 32.385 ( -1.144 -2.706 -0.786) 3.041 32.385 ( 1.144 -2.706 -0.786) 3.041 36.780 ( -0.359 0.035 0.450) 0.577 36.780 ( 0.359 0.035 0.450) 0.577 37.131 ( -0.026 -0.619 -0.554) 0.831 37.131 ( 0.026 -0.619 -0.554) 0.831 69.330 ( -0.056 -0.955 0.000) 0.956 69.330 ( 0.056 -0.955 0.000) 0.956 71.280 ( -1.000 0.971 0.612) 1.522 71.280 ( 1.000 0.971 0.612) 1.522 72.068 ( -1.766 0.397 2.278) 2.910 72.068 ( 1.766 0.397 2.278) 2.910 72.228 ( -0.967 0.338 -2.174) 2.404 72.228 ( 0.967 0.338 -2.174) 2.404 ======================= Grid point 597 (112/140) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( 0.000 0.000 7.764) 7.764 3.498 ( 0.000 0.000 7.764) 7.764 3.981 ( 0.000 0.000 -7.264) 7.264 3.981 ( 0.000 0.000 -7.264) 7.264 4.285 ( -0.000 -0.000 27.167) 27.167 4.285 ( 0.000 0.000 27.167) 27.167 6.282 ( -0.000 -0.000 6.605) 6.605 6.282 ( 0.000 0.000 6.605) 6.605 6.400 ( 0.000 0.000 24.024) 24.024 6.400 ( 0.000 0.000 24.024) 24.024 7.568 ( 0.000 0.000 -13.820) 13.820 7.568 ( 0.000 0.000 -13.820) 13.820 10.780 ( -0.000 -0.000 -9.183) 9.183 10.780 ( 0.000 0.000 -9.183) 9.183 12.310 ( 0.000 0.000 8.228) 8.228 12.310 ( 0.000 0.000 8.228) 8.228 12.905 ( 0.000 0.000 -10.258) 10.258 12.905 ( 0.000 0.000 -10.258) 10.258 32.254 ( 0.000 0.000 1.634) 1.634 32.254 ( 0.000 0.000 1.634) 1.634 32.332 ( -0.000 -0.000 0.050) 0.050 32.332 ( 0.000 0.000 0.050) 0.050 32.356 ( -0.000 -0.000 -1.557) 1.557 32.356 ( 0.000 0.000 -1.557) 1.557 36.780 ( 0.000 0.000 0.496) 0.496 36.780 ( 0.000 0.000 0.496) 0.496 37.125 ( 0.000 0.000 -0.616) 0.616 37.125 ( 0.000 0.000 -0.616) 0.616 69.321 ( 0.000 0.000 0.012) 0.012 69.321 ( 0.000 0.000 0.012) 0.012 71.291 ( 0.000 0.000 0.638) 0.638 71.291 ( 0.000 0.000 0.638) 0.638 72.068 ( 0.000 0.000 2.720) 2.720 72.068 ( 0.000 0.000 2.720) 2.720 72.235 ( 0.000 0.000 -2.528) 2.528 72.235 ( 0.000 0.000 -2.528) 2.528 ======================= Grid point 676 (113/140) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.000 0.000 16.608) 16.608 1.933 ( 0.000 0.000 16.608) 16.608 2.446 ( -0.000 -0.000 -14.089) 14.089 2.446 ( -0.000 -0.000 -14.089) 14.089 4.453 ( 0.000 0.000 40.806) 40.806 4.551 ( 0.000 0.000 -1.580) 1.580 4.551 ( -0.000 -0.000 -1.580) 1.580 5.064 ( 0.000 0.000 -21.089) 21.089 6.368 ( 0.000 -0.000 3.477) 3.477 6.368 ( 0.000 0.000 3.477) 3.477 7.992 ( 0.000 0.000 11.114) 11.114 8.308 ( 0.000 0.000 -20.003) 20.003 9.807 ( -0.000 -0.000 46.247) 46.247 10.069 ( 0.000 0.000 14.174) 14.174 10.069 ( 0.000 0.000 14.174) 14.174 10.663 ( 0.000 0.000 -41.756) 41.756 10.843 ( 0.000 0.000 -13.654) 13.654 10.843 ( -0.000 -0.000 -13.654) 13.654 32.320 ( -0.000 -0.000 3.134) 3.134 32.320 ( -0.000 -0.000 3.134) 3.134 32.396 ( 0.000 0.000 -3.111) 3.111 32.396 ( 0.000 0.000 -3.111) 3.111 33.080 ( -0.000 -0.000 0.885) 0.885 33.098 ( -0.000 -0.000 -1.024) 1.024 36.685 ( -0.000 -0.000 3.547) 3.547 36.754 ( -0.000 -0.000 -3.528) 3.528 37.327 ( 0.000 0.000 0.217) 0.217 37.331 ( 0.000 0.000 -0.124) 0.124 69.696 ( 0.000 0.000 0.341) 0.341 69.702 ( 0.000 0.000 -0.248) 0.248 70.914 ( 0.000 0.000 -0.040) 0.040 70.914 ( 0.000 0.000 -0.040) 0.040 71.758 ( 0.000 -0.000 0.068) 0.068 71.758 ( -0.000 0.000 0.068) 0.068 72.428 ( 0.000 0.000 1.683) 1.683 72.460 ( 0.000 0.000 -1.618) 1.618 ======================= Grid point 677 (114/140) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 1.860 0.000 15.327) 15.440 2.129 ( 17.209 0.000 15.032) 22.850 2.465 ( 1.977 0.000 -13.209) 13.356 2.626 ( 16.328 0.000 -12.464) 20.542 4.498 ( 7.140 0.000 34.129) 34.868 4.527 ( -2.422 0.000 -1.621) 2.914 4.783 ( 18.117 0.000 1.167) 18.155 5.127 ( 7.041 0.000 -17.632) 18.986 6.292 ( -7.679 0.000 3.744) 8.543 6.464 ( 6.197 0.000 2.735) 6.773 7.912 ( -6.137 0.000 10.627) 12.271 8.222 ( -5.480 0.000 -19.330) 20.092 9.474 ( -21.446 0.000 35.262) 41.272 10.115 ( -17.499 0.000 -21.555) 27.764 10.243 ( 16.609 0.000 12.074) 20.534 10.542 ( 13.860 0.000 11.720) 18.150 10.961 ( 11.295 0.000 -11.817) 16.347 11.212 ( 21.195 0.000 -21.366) 30.095 32.318 ( -0.212 0.000 3.031) 3.039 32.329 ( 0.815 0.000 3.006) 3.115 32.391 ( -0.503 0.000 -3.015) 3.057 32.397 ( 0.070 0.000 -3.072) 3.073 33.057 ( -2.287 0.000 0.762) 2.411 33.072 ( -2.591 0.000 -0.775) 2.704 36.689 ( 0.431 0.000 3.426) 3.453 36.756 ( 0.190 0.000 -3.403) 3.408 37.318 ( -0.874 0.000 0.242) 0.907 37.322 ( -0.839 0.000 -0.143) 0.852 69.679 ( -1.665 0.000 0.230) 1.681 69.684 ( -1.658 0.000 -0.144) 1.664 70.928 ( 1.385 0.000 -0.039) 1.386 70.943 ( 2.823 0.000 -0.343) 2.843 71.743 ( -1.518 0.000 0.065) 1.519 71.791 ( 3.268 0.000 0.053) 3.269 72.392 ( -4.347 0.000 1.059) 4.474 72.468 ( 1.536 0.000 -0.776) 1.721 ======================= Grid point 678 (115/140) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 4.365 0.000 11.822) 12.603 2.506 ( 19.348 0.000 13.162) 23.400 2.524 ( 3.979 0.000 -10.830) 11.537 2.996 ( 19.277 0.000 -9.906) 21.673 4.458 ( -4.474 0.000 -1.763) 4.809 4.724 ( 14.816 0.000 30.173) 33.615 5.092 ( 11.489 0.000 -5.891) 12.912 5.372 ( 15.706 0.000 -6.929) 17.167 6.062 ( -15.672 0.000 4.126) 16.206 6.431 ( -11.307 0.000 -2.948) 11.685 7.828 ( -1.513 0.000 7.717) 7.863 8.261 ( 11.344 0.000 -14.195) 18.171 9.069 ( -18.982 0.000 28.402) 34.161 9.661 ( -24.179 0.000 -31.513) 39.720 10.686 ( 27.647 0.000 9.060) 29.094 10.922 ( 20.403 0.000 21.660) 29.756 11.259 ( 18.572 0.000 -8.495) 20.423 11.592 ( 17.018 0.000 -16.828) 23.933 32.313 ( -0.344 0.000 2.728) 2.750 32.347 ( 0.855 0.000 2.599) 2.736 32.377 ( -0.888 0.000 -2.727) 2.868 32.400 ( 0.221 0.000 -2.772) 2.781 32.992 ( -4.180 0.000 0.416) 4.201 33.002 ( -4.355 0.000 -0.211) 4.360 36.701 ( 0.766 0.000 3.073) 3.167 36.761 ( 0.303 0.000 -3.037) 3.052 37.296 ( -1.339 0.000 0.246) 1.361 37.300 ( -1.334 0.000 -0.154) 1.343 69.634 ( -2.699 0.000 0.023) 2.699 69.641 ( -2.582 0.000 0.035) 2.582 70.968 ( 2.688 0.000 -0.035) 2.688 71.018 ( 4.622 0.000 -0.873) 4.704 71.699 ( -2.918 0.000 0.058) 2.918 71.881 ( 5.666 0.000 -0.010) 5.666 72.270 ( -7.526 0.000 0.795) 7.568 72.509 ( 2.301 0.000 -0.126) 2.304 ======================= Grid point 679 (116/140) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 8.055 0.000 7.204) 10.806 2.619 ( 5.563 0.000 -7.707) 9.505 2.865 ( 16.966 0.000 12.495) 21.070 3.338 ( 14.779 0.000 -8.279) 16.940 4.356 ( -5.645 0.000 -2.070) 6.013 5.039 ( 15.969 0.000 23.863) 28.714 5.277 ( 7.562 0.000 -0.494) 7.578 5.591 ( 5.291 0.000 -3.635) 6.419 5.679 ( -22.855 0.000 3.513) 23.124 6.104 ( -18.465 0.000 -13.597) 22.932 7.886 ( 7.561 0.000 2.544) 7.977 8.549 ( 13.571 0.000 -5.533) 14.655 8.742 ( -13.852 0.000 19.784) 24.151 9.210 ( -21.030 0.000 -28.057) 35.063 11.302 ( 33.687 0.000 6.070) 34.230 11.305 ( 18.218 0.000 18.879) 26.236 11.687 ( 24.403 0.000 -5.360) 24.984 11.875 ( 11.546 0.000 -11.223) 16.101 32.306 ( -0.340 0.000 2.235) 2.261 32.358 ( -1.074 0.000 -2.254) 2.497 32.360 ( 0.515 0.000 1.780) 1.853 32.405 ( 0.288 0.000 -1.916) 1.937 32.897 ( -5.211 0.000 0.169) 5.214 32.908 ( -4.948 0.000 0.130) 4.950 36.718 ( 0.937 0.000 2.512) 2.681 36.767 ( 0.288 0.000 -2.459) 2.476 37.268 ( -1.364 0.000 0.171) 1.375 37.272 ( -1.382 0.000 -0.100) 1.385 69.579 ( -2.785 0.000 0.001) 2.785 69.587 ( -2.799 0.000 0.028) 2.799 71.033 ( 3.830 0.000 -0.029) 3.830 71.121 ( 5.721 0.000 -1.174) 5.840 71.629 ( -4.095 0.000 0.047) 4.095 71.993 ( 3.699 0.000 -0.247) 3.707 72.121 ( -5.542 0.000 0.822) 5.603 72.547 ( 1.303 0.000 0.167) 1.314 ======================= Grid point 680 (117/140) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 12.132 0.000 3.110) 12.524 2.734 ( 5.653 0.000 -4.668) 7.332 3.173 ( 14.238 0.000 11.530) 18.321 3.565 ( 8.082 0.000 -6.064) 10.104 4.248 ( -4.862 0.000 -2.649) 5.537 5.184 ( -26.521 0.000 1.196) 26.548 5.289 ( 6.781 0.000 16.583) 17.915 5.356 ( -0.470 0.000 5.614) 5.633 5.638 ( 2.002 0.000 -0.028) 2.002 5.825 ( -6.916 0.000 -23.496) 24.493 8.087 ( 11.551 0.000 0.735) 11.574 8.528 ( -7.865 0.000 10.662) 13.249 8.711 ( 2.524 0.000 -1.337) 2.856 8.844 ( -15.864 0.000 -21.444) 26.674 11.632 ( 14.761 0.000 14.640) 20.790 11.957 ( 31.060 0.000 3.348) 31.240 12.045 ( 5.676 0.000 -5.609) 7.980 12.181 ( 24.077 0.000 -2.642) 24.221 32.300 ( -0.179 0.000 1.580) 1.590 32.337 ( -1.039 0.000 -1.618) 1.923 32.370 ( 0.500 0.000 1.010) 1.127 32.409 ( 0.070 0.000 -0.992) 0.994 32.797 ( -4.668 0.000 0.165) 4.671 32.813 ( -4.587 0.000 0.071) 4.588 36.737 ( 0.922 0.000 1.786) 2.010 36.771 ( 0.131 0.000 -1.716) 1.721 37.244 ( -1.062 0.000 0.088) 1.065 37.247 ( -1.101 0.000 -0.020) 1.101 69.529 ( -2.199 0.000 0.034) 2.199 69.535 ( -2.321 0.000 -0.019) 2.321 71.118 ( 4.736 0.000 -0.020) 4.736 71.243 ( 6.667 0.000 -1.186) 6.772 71.539 ( -4.965 0.000 0.033) 4.965 71.896 ( -8.909 0.000 -0.063) 8.909 72.181 ( 7.008 0.000 0.314) 7.015 72.554 ( -0.681 0.000 0.306) 0.746 ======================= Grid point 681 (118/140) ======================= q-point: ( 0.42 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 12.903 0.000 0.783) 12.927 2.820 ( 2.278 0.000 -2.124) 3.115 3.423 ( 10.945 0.000 8.889) 14.100 3.652 ( 0.640 0.000 -1.580) 1.704 4.194 ( 0.391 0.000 -3.524) 3.546 4.677 ( -23.565 0.000 -1.920) 23.643 5.284 ( -3.858 0.000 2.882) 4.815 5.287 ( -4.440 0.000 0.032) 4.440 5.734 ( 6.313 0.000 0.313) 6.321 5.812 ( 1.989 0.000 -10.633) 10.818 8.312 ( 10.991 0.000 0.491) 11.002 8.432 ( -1.915 0.000 2.152) 2.881 8.589 ( -9.953 0.000 -13.717) 16.948 8.670 ( -5.746 0.000 0.168) 5.748 11.882 ( 10.506 0.000 9.925) 14.453 12.099 ( -0.133 0.000 -0.207) 0.246 12.466 ( 19.356 0.000 1.569) 19.420 12.569 ( 13.868 0.000 -0.782) 13.890 32.299 ( 0.114 0.000 0.806) 0.814 32.318 ( -0.815 0.000 -0.858) 1.183 32.382 ( 0.715 0.000 0.530) 0.890 32.407 ( -0.320 0.000 -0.330) 0.460 32.723 ( -2.615 0.000 0.093) 2.617 32.735 ( -3.028 0.000 0.004) 3.028 36.754 ( 0.742 0.000 0.944) 1.201 36.771 ( -0.137 0.000 -0.863) 0.874 37.228 ( -0.542 0.000 0.056) 0.544 37.230 ( -0.636 0.000 0.026) 0.636 69.495 ( -1.166 0.000 0.040) 1.166 69.499 ( -1.338 0.000 -0.028) 1.339 71.217 ( 5.342 0.000 -0.009) 5.342 71.384 ( 7.614 0.000 -1.004) 7.680 71.436 ( -5.475 0.000 0.019) 5.475 71.716 ( -9.080 0.000 -0.358) 9.087 72.320 ( 6.684 0.000 0.260) 6.689 72.518 ( -2.990 0.000 0.332) 3.008 ======================= Grid point 682 (119/140) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -6.126 0.000 -0.344) 6.136 2.788 ( 6.126 0.000 -0.344) 6.136 3.595 ( -6.147 0.000 4.185) 7.436 3.595 ( 6.147 0.000 4.185) 7.436 4.311 ( -12.400 0.000 -3.816) 12.974 4.311 ( 12.400 0.000 -3.816) 12.974 5.238 ( -0.256 0.000 -2.484) 2.497 5.238 ( 0.256 0.000 -2.484) 2.497 5.821 ( -1.882 0.000 -2.499) 3.129 5.821 ( 1.882 0.000 -2.499) 3.129 8.452 ( -3.971 0.000 -5.838) 7.061 8.452 ( 3.971 0.000 -5.838) 7.061 8.515 ( -9.429 0.000 0.521) 9.444 8.515 ( 9.429 0.000 0.521) 9.444 12.042 ( -5.589 0.000 4.964) 7.475 12.042 ( 5.589 0.000 4.964) 7.475 12.686 ( -2.553 0.000 0.415) 2.586 12.686 ( 2.553 0.000 0.415) 2.586 32.305 ( -0.475 0.000 -0.029) 0.476 32.305 ( 0.475 0.000 -0.029) 0.476 32.396 ( -0.707 0.000 0.146) 0.722 32.396 ( 0.707 0.000 0.146) 0.722 32.700 ( -0.372 0.000 0.009) 0.372 32.700 ( 0.372 0.000 0.009) 0.372 36.765 ( -0.455 0.000 0.043) 0.457 36.765 ( 0.455 0.000 0.043) 0.457 37.223 ( -0.062 0.000 0.045) 0.077 37.223 ( 0.062 0.000 0.045) 0.077 69.484 ( -0.094 0.000 0.006) 0.094 69.484 ( 0.094 0.000 0.006) 0.094 71.326 ( -5.598 0.000 0.004) 5.598 71.326 ( 5.598 0.000 0.004) 5.598 71.543 ( -8.476 0.000 -0.708) 8.505 71.543 ( 8.476 0.000 -0.708) 8.505 72.437 ( -5.126 0.000 0.297) 5.135 72.437 ( 5.126 0.000 0.297) 5.135 ======================= Grid point 690 (120/140) ======================= q-point: ( 0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 9.020 9.020 14.653) 19.427 2.153 ( 9.594 9.594 12.754) 18.621 2.636 ( 8.550 8.550 -11.232) 16.503 2.643 ( 8.695 8.695 -11.990) 17.175 4.537 ( 6.415 6.415 28.307) 29.725 4.712 ( 7.520 7.520 -2.436) 10.911 4.819 ( 9.767 9.767 5.713) 14.948 5.168 ( 4.710 4.710 -15.984) 17.316 6.362 ( -1.218 -1.218 5.771) 6.022 6.423 ( 1.041 1.041 -0.373) 1.519 7.842 ( -5.148 -5.148 10.485) 12.765 8.144 ( -5.209 -5.209 -18.902) 20.287 9.420 ( -8.135 -8.135 33.811) 35.714 10.013 ( -6.284 -6.284 -20.192) 22.061 10.336 ( 0.384 0.384 6.788) 6.809 10.536 ( 11.329 11.329 -0.164) 16.022 11.095 ( 12.472 12.472 4.401) 18.179 11.405 ( 15.006 15.006 -20.923) 29.802 32.322 ( 0.054 0.054 3.051) 3.052 32.330 ( 0.357 0.357 2.787) 2.832 32.388 ( -0.394 -0.394 -2.914) 2.966 32.395 ( -0.090 -0.090 -3.032) 3.035 33.034 ( -2.254 -2.254 0.655) 3.254 33.047 ( -2.527 -2.527 -0.571) 3.620 36.693 ( 0.422 0.422 3.314) 3.367 36.758 ( 0.201 0.201 -3.292) 3.304 37.310 ( -0.832 -0.832 0.255) 1.204 37.314 ( -0.815 -0.815 -0.156) 1.163 69.663 ( -1.576 -1.576 0.201) 2.238 69.666 ( -1.684 -1.684 -0.126) 2.385 70.945 ( 1.475 1.475 0.719) 2.206 70.964 ( 2.280 2.280 -1.316) 3.483 71.776 ( 0.901 0.901 0.157) 1.283 71.778 ( 1.010 1.010 -0.051) 1.430 72.398 ( -1.372 -1.372 2.262) 2.980 72.437 ( -1.114 -1.114 -1.824) 2.410 ======================= Grid point 691 (121/140) ======================= q-point: ( 0.17 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 3.981 16.554 10.182) 19.838 2.518 ( 19.240 1.488 11.714) 22.575 2.685 ( 3.196 14.530 -9.253) 17.520 2.998 ( 18.634 0.342 -9.182) 20.776 4.667 ( 0.612 17.056 2.380) 17.232 4.781 ( 9.614 7.123 24.093) 26.900 5.096 ( 10.344 0.573 -3.216) 10.847 5.351 ( 12.556 -1.349 -8.323) 15.125 6.209 ( -9.927 11.193 3.817) 15.440 6.386 ( -10.361 -3.469 -3.929) 11.612 7.772 ( -1.894 -3.417 7.427) 8.392 8.173 ( 10.435 -8.218 -13.031) 18.607 9.173 ( -14.432 8.782 27.399) 32.189 9.734 ( -19.277 5.921 -29.718) 35.914 10.586 ( 23.501 -5.684 17.299) 29.730 10.886 ( 21.556 -2.177 -5.949) 22.467 11.393 ( 16.937 11.651 8.980) 22.433 11.702 ( 14.190 9.260 -15.882) 23.223 32.317 ( -0.436 0.363 2.683) 2.742 32.343 ( 0.726 -0.355 2.530) 2.656 32.375 ( -0.875 -0.225 -2.634) 2.784 32.395 ( 0.114 -0.405 -2.756) 2.788 32.970 ( -4.133 -2.163 0.353) 4.678 32.978 ( -4.271 -2.393 -0.103) 4.897 36.705 ( 0.746 0.394 2.981) 3.098 36.763 ( 0.310 0.218 -2.956) 2.980 37.288 ( -1.298 -0.753 0.242) 1.520 37.292 ( -1.308 -0.766 -0.157) 1.523 69.620 ( -2.665 -1.441 0.014) 3.029 69.624 ( -2.520 -1.665 0.029) 3.020 70.983 ( 2.467 1.439 0.783) 2.962 71.029 ( 4.139 1.200 -1.746) 4.650 71.735 ( -2.719 3.590 0.058) 4.504 71.869 ( 5.803 -1.224 -0.008) 5.931 72.294 ( -7.267 2.266 0.956) 7.672 72.469 ( 2.512 -3.947 -0.250) 4.685 ======================= Grid point 692 (122/140) ======================= q-point: ( 0.25 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 7.322 15.815 5.727) 18.345 2.760 ( 4.523 12.827 -6.264) 14.975 2.879 ( 16.946 1.549 11.288) 20.420 3.328 ( 14.263 -0.652 -7.829) 16.283 4.610 ( -4.188 22.808 -2.313) 23.304 5.044 ( 14.021 0.784 22.459) 26.488 5.228 ( 3.102 -3.488 1.280) 4.840 5.496 ( 1.357 -3.619 -5.685) 6.874 5.987 ( -14.482 19.749 3.607) 24.754 6.091 ( -14.968 1.655 -12.533) 19.592 7.807 ( 6.413 -6.669 1.654) 9.399 8.436 ( 11.576 -10.672 -2.850) 16.000 8.918 ( -10.479 16.288 17.670) 26.217 9.355 ( -17.961 13.742 -26.186) 34.600 11.117 ( 27.034 -9.155 17.095) 33.270 11.369 ( 27.693 -1.187 -5.864) 28.332 11.754 ( 19.475 7.088 6.140) 21.615 11.950 ( 11.122 6.151 -9.987) 16.164 32.308 ( -0.447 0.195 2.168) 2.222 32.353 ( -0.292 -0.486 0.236) 0.614 32.358 ( -0.315 -0.254 -0.553) 0.685 32.399 ( 0.195 -0.621 -1.989) 2.093 32.876 ( -5.169 -2.088 0.171) 5.577 32.886 ( -4.882 -2.234 0.138) 5.370 36.722 ( 0.907 0.344 2.446) 2.631 36.769 ( 0.282 0.218 -2.405) 2.431 37.261 ( -1.347 -0.701 0.161) 1.526 37.265 ( -1.369 -0.730 -0.102) 1.554 69.565 ( -2.748 -1.372 0.009) 3.072 69.571 ( -2.728 -1.538 0.003) 3.132 71.043 ( 3.527 0.982 0.578) 3.707 71.121 ( 5.089 0.169 -1.711) 5.371 71.672 ( -3.648 4.125 0.045) 5.507 71.990 ( 5.328 -0.540 -0.203) 5.359 72.143 ( -6.864 2.283 0.770) 7.275 72.512 ( 1.640 -3.422 0.143) 3.797 ======================= Grid point 693 (123/140) ======================= q-point: ( 0.33 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 10.704 14.137 2.409) 17.895 2.851 ( 4.347 10.655 -3.575) 12.050 3.188 ( 14.282 1.697 10.747) 17.955 3.548 ( 7.970 -1.125 -6.042) 10.065 4.529 ( -3.601 25.354 -2.590) 25.739 5.131 ( -10.467 -1.383 -2.401) 10.827 5.290 ( 6.235 -1.088 20.834) 21.774 5.501 ( -1.288 4.162 4.274) 6.103 5.687 ( -10.362 7.691 -3.252) 13.308 5.860 ( -8.312 8.156 -18.821) 22.132 7.998 ( 11.541 -8.143 0.288) 14.128 8.539 ( -0.505 -7.387 2.490) 7.811 8.772 ( -5.076 15.909 5.261) 17.509 9.052 ( -12.469 18.441 -18.314) 28.826 11.564 ( 18.151 -5.513 13.457) 23.259 11.941 ( 25.664 -2.480 -4.828) 26.231 12.062 ( 10.888 2.796 1.465) 11.337 12.233 ( 19.620 4.179 -1.178) 20.095 32.300 ( -0.265 0.016 1.526) 1.549 32.334 ( -1.033 -0.262 -1.461) 1.808 32.364 ( 0.470 -0.542 1.022) 1.249 32.402 ( 0.044 -0.743 -1.095) 1.324 32.777 ( -4.645 -2.018 0.181) 5.068 32.791 ( -4.552 -2.141 0.052) 5.030 36.740 ( 0.889 0.281 1.744) 1.978 36.773 ( 0.120 0.200 -1.681) 1.697 37.237 ( -1.063 -0.690 0.077) 1.270 37.240 ( -1.099 -0.719 -0.027) 1.314 69.516 ( -2.168 -1.303 0.045) 2.530 69.521 ( -2.256 -1.411 -0.045) 2.662 71.121 ( 4.336 0.359 0.389) 4.369 71.226 ( 5.298 -1.311 -1.416) 5.638 71.597 ( -3.694 5.317 -0.015) 6.474 71.932 ( -8.367 3.404 -0.117) 9.034 72.170 ( 6.781 -1.082 0.327) 6.875 72.526 ( -0.347 -2.770 0.292) 2.807 ======================= Grid point 694 (124/140) ======================= q-point: ( 0.42 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 10.914 11.155 0.968) 15.636 2.913 ( 1.314 8.617 -1.359) 8.822 3.437 ( 10.726 1.521 8.453) 13.741 3.640 ( 1.274 -0.708 -1.883) 2.382 4.491 ( 0.597 27.377 -2.918) 27.538 4.848 ( -15.764 14.436 -3.615) 21.679 5.291 ( -3.420 0.615 7.905) 8.635 5.369 ( -7.992 8.505 3.149) 12.088 5.695 ( 5.464 -3.568 -2.228) 6.896 5.792 ( -0.193 -0.817 -13.011) 13.038 8.220 ( 10.228 -7.596 0.381) 12.746 8.488 ( -3.783 -4.380 -0.027) 5.787 8.688 ( -2.584 17.279 -1.178) 17.511 8.852 ( -8.500 18.738 -9.240) 22.556 11.852 ( 11.468 -2.716 9.345) 15.040 12.088 ( -0.286 -0.959 0.097) 1.005 12.466 ( 18.933 -0.136 0.493) 18.940 12.579 ( 12.888 0.898 -0.131) 12.920 32.298 ( 0.057 -0.120 0.787) 0.799 32.315 ( -0.803 -0.246 -0.776) 1.143 32.376 ( 0.686 -0.594 0.549) 1.060 32.399 ( -0.287 -0.735 -0.404) 0.886 32.703 ( -2.628 -2.010 0.102) 3.311 32.715 ( -3.006 -2.088 -0.013) 3.660 36.756 ( 0.717 0.223 0.925) 1.192 36.773 ( -0.143 0.183 -0.844) 0.875 37.221 ( -0.549 -0.702 0.042) 0.892 37.223 ( -0.635 -0.720 0.015) 0.960 69.482 ( -1.153 -1.258 0.045) 1.707 69.485 ( -1.295 -1.310 -0.046) 1.842 71.210 ( 4.610 -0.567 0.224) 4.651 71.311 ( 2.335 -3.616 -0.749) 4.369 71.548 ( -0.232 7.483 -0.325) 7.493 71.763 ( -8.369 4.402 -0.385) 9.464 72.306 ( 6.552 -1.364 0.253) 6.697 72.496 ( -2.710 -2.170 0.321) 3.486 ======================= Grid point 695 (125/140) ======================= q-point: (-0.50 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -5.373 8.465 0.175) 10.028 2.877 ( 5.373 8.465 0.175) 10.028 3.599 ( -5.382 0.519 3.939) 6.690 3.599 ( 5.382 0.519 3.939) 6.690 4.585 ( -9.453 25.334 -3.456) 27.260 4.585 ( 9.453 25.334 -3.456) 27.260 5.266 ( -1.897 2.813 0.699) 3.464 5.266 ( 1.897 2.813 0.699) 3.464 5.777 ( -2.257 -3.876 -4.750) 6.533 5.777 ( 2.257 -3.876 -4.750) 6.533 8.387 ( -6.669 -6.297 -0.366) 9.179 8.387 ( 6.669 -6.297 -0.366) 9.179 8.712 ( -4.966 19.325 -4.574) 20.471 8.712 ( 4.966 19.325 -4.574) 20.471 12.024 ( -6.035 -1.612 4.928) 7.956 12.024 ( 6.035 -1.612 4.928) 7.956 12.685 ( -2.788 -0.147 0.121) 2.794 12.685 ( 2.788 -0.147 0.121) 2.794 32.303 ( -0.445 -0.205 0.000) 0.489 32.303 ( 0.445 -0.205 0.000) 0.489 32.390 ( -0.665 -0.658 0.121) 0.943 32.390 ( 0.665 -0.658 0.121) 0.943 32.680 ( -0.350 -2.048 0.003) 2.078 32.680 ( 0.350 -2.048 0.003) 2.078 36.767 ( -0.445 0.188 0.044) 0.485 36.767 ( 0.445 0.188 0.044) 0.485 37.216 ( -0.058 -0.716 0.031) 0.719 37.216 ( 0.058 -0.716 0.031) 0.719 69.472 ( -0.079 -1.256 -0.000) 1.259 69.472 ( 0.079 -1.256 -0.000) 1.259 71.293 ( -3.384 -2.351 -0.015) 4.121 71.293 ( 3.384 -2.351 -0.015) 4.121 71.614 ( -6.265 6.176 -0.626) 8.819 71.614 ( 6.265 6.176 -0.626) 8.819 72.420 ( -4.921 -1.694 0.289) 5.212 72.420 ( 4.921 -1.694 0.289) 5.212 ======================= Grid point 704 (126/140) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 12.368 12.368 8.715) 19.541 2.571 ( 10.850 10.850 7.812) 17.218 3.013 ( 8.915 8.915 -6.789) 14.320 3.017 ( 9.785 9.785 -7.549) 15.763 4.888 ( 9.349 9.349 24.123) 27.509 5.018 ( 5.821 5.821 0.005) 8.232 5.148 ( 5.471 5.471 -1.511) 7.883 5.364 ( 3.983 3.983 -10.011) 11.487 6.326 ( 2.057 2.057 0.394) 2.935 6.352 ( -2.720 -2.720 -3.667) 5.315 7.777 ( 1.323 1.323 10.430) 10.597 8.008 ( -3.454 -3.454 -11.694) 12.673 9.319 ( 4.018 4.018 22.562) 23.267 9.800 ( -1.320 -1.320 -26.324) 26.390 10.617 ( 11.498 11.498 18.095) 24.328 10.955 ( 11.459 11.459 -15.191) 22.212 11.650 ( 13.711 13.711 12.621) 23.136 11.897 ( 9.738 9.738 -11.562) 17.982 32.321 ( -0.121 -0.121 2.394) 2.400 32.337 ( -0.079 -0.079 2.388) 2.391 32.367 ( -0.679 -0.679 -2.251) 2.447 32.387 ( -0.332 -0.332 -2.694) 2.734 32.910 ( -3.923 -3.923 0.200) 5.551 32.911 ( -4.165 -4.165 0.116) 5.891 36.716 ( 0.686 0.686 2.702) 2.871 36.769 ( 0.318 0.318 -2.688) 2.725 37.268 ( -1.220 -1.220 0.209) 1.738 37.271 ( -1.256 -1.256 -0.152) 1.783 69.580 ( -2.516 -2.516 0.047) 3.558 69.581 ( -2.433 -2.433 -0.040) 3.442 71.020 ( 2.191 2.191 2.031) 3.705 71.068 ( 2.725 2.725 -3.047) 4.913 71.829 ( 1.799 1.799 0.486) 2.590 71.838 ( 2.061 2.061 -0.458) 2.950 72.334 ( -1.684 -1.684 2.647) 3.561 72.378 ( -1.811 -1.811 -1.904) 3.191 ======================= Grid point 705 (127/140) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 6.470 19.254 4.597) 20.825 2.934 ( 17.261 4.272 8.058) 19.523 3.053 ( 2.338 15.261 -4.376) 16.047 3.323 ( 13.387 0.210 -6.545) 14.903 5.028 ( -0.369 9.592 8.017) 12.507 5.099 ( 10.117 5.765 15.215) 19.159 5.194 ( -0.244 3.954 -4.203) 5.776 5.440 ( 1.811 -2.206 -9.041) 9.481 6.137 ( -15.264 10.325 -5.982) 19.375 6.419 ( 1.550 15.526 0.732) 15.620 7.701 ( -2.517 -1.917 1.249) 3.401 8.150 ( 10.722 -17.715 0.674) 20.718 9.320 ( -2.917 22.433 13.987) 26.596 9.690 ( -8.119 18.028 -21.643) 29.314 11.008 ( 24.703 0.054 15.806) 29.327 11.342 ( 26.240 0.665 -13.526) 29.529 11.925 ( 13.732 9.407 8.687) 18.776 12.076 ( 8.840 6.097 -5.685) 12.151 32.312 ( -0.631 0.206 1.897) 2.010 32.340 ( 0.066 -0.822 1.609) 1.808 32.350 ( -0.816 -0.524 -1.395) 1.699 32.383 ( -0.084 -0.848 -2.206) 2.365 32.817 ( -5.053 -3.791 0.244) 6.322 32.824 ( -4.725 -3.951 0.068) 6.160 36.731 ( 0.821 0.590 2.237) 2.455 36.775 ( 0.266 0.308 -2.209) 2.247 37.242 ( -1.318 -1.173 0.128) 1.769 37.245 ( -1.349 -1.228 -0.106) 1.827 69.528 ( -2.640 -2.281 0.065) 3.489 69.531 ( -2.574 -2.375 -0.086) 3.503 71.070 ( 2.910 1.743 1.916) 3.896 71.133 ( 3.695 1.111 -2.847) 4.795 71.781 ( -2.855 6.696 0.061) 7.279 71.967 ( 6.956 -1.721 -0.138) 7.167 72.207 ( -7.593 3.909 0.704) 8.569 72.419 ( 2.436 -5.890 0.010) 6.374 ======================= Grid point 706 (128/140) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 8.390 18.053 2.965) 20.127 3.093 ( 2.072 12.657 -1.966) 12.975 3.249 ( 14.074 4.718 8.027) 16.876 3.534 ( 7.925 -0.282 -5.787) 9.817 5.020 ( 0.586 14.917 3.244) 15.277 5.152 ( -2.202 2.620 -0.134) 3.425 5.298 ( 7.158 5.988 12.636) 15.709 5.468 ( 2.124 -3.881 -3.550) 5.672 5.824 ( -15.009 11.228 -9.433) 20.984 6.277 ( -14.699 26.816 -2.489) 30.682 7.794 ( 10.427 -11.984 -0.081) 15.885 8.295 ( 3.615 -15.982 2.271) 16.542 9.244 ( -3.843 29.205 5.667) 29.997 9.523 ( -8.513 27.682 -15.189) 32.703 11.472 ( 20.611 -2.386 11.407) 23.678 11.887 ( 24.419 -2.118 -8.297) 25.877 12.135 ( 8.830 4.198 2.533) 10.100 12.315 ( 15.641 3.762 1.168) 16.129 32.301 ( -0.468 0.010 1.357) 1.435 32.326 ( -0.991 -0.492 -0.975) 1.475 32.349 ( 0.378 -0.959 1.067) 1.483 32.382 ( -0.051 -1.112 -1.426) 1.809 32.720 ( -4.583 -3.661 0.252) 5.871 32.731 ( -4.462 -3.826 -0.036) 5.878 36.747 ( 0.797 0.472 1.610) 1.858 36.778 ( 0.094 0.283 -1.548) 1.577 37.218 ( -1.076 -1.177 0.041) 1.596 37.221 ( -1.102 -1.230 -0.046) 1.652 69.481 ( -2.078 -2.146 0.085) 2.989 69.484 ( -2.114 -2.219 -0.114) 3.067 71.134 ( 3.498 1.001 1.341) 3.878 71.207 ( 3.559 -0.391 -2.006) 4.104 71.728 ( -2.290 7.566 -0.039) 7.905 72.016 ( -6.092 4.604 -0.277) 7.641 72.143 ( 5.256 -1.417 0.384) 5.458 72.449 ( 0.525 -4.888 0.247) 4.922 ======================= Grid point 707 (129/140) ======================= q-point: ( 0.42 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 7.416 15.269 2.786) 17.202 3.119 ( 0.280 11.481 0.157) 11.485 3.485 ( 9.573 3.352 6.229) 11.903 3.634 ( 2.197 0.175 -2.690) 3.477 5.066 ( 3.745 18.020 2.814) 18.619 5.138 ( 1.656 16.018 -2.914) 16.365 5.321 ( -4.007 5.324 15.836) 17.181 5.499 ( -4.735 3.188 3.243) 6.565 5.637 ( 0.649 -0.767 -12.364) 12.404 5.957 ( -14.917 21.388 -11.717) 28.587 8.022 ( 11.265 -12.306 0.704) 16.699 8.303 ( -2.417 -12.898 1.647) 13.225 9.197 ( -0.412 31.757 -0.288) 31.761 9.361 ( -7.611 31.149 -9.602) 33.472 11.800 ( 12.878 -1.694 8.072) 15.293 12.073 ( -0.639 -0.190 0.598) 0.895 12.459 ( 17.984 -0.484 -1.135) 18.026 12.598 ( 10.775 0.805 0.294) 10.809 32.295 ( -0.093 -0.200 0.742) 0.774 32.309 ( -0.762 -0.436 -0.516) 1.018 32.359 ( 0.629 -1.029 0.613) 1.353 32.380 ( -0.228 -1.155 -0.665) 1.352 32.646 ( -2.660 -3.640 0.143) 4.510 32.656 ( -2.953 -3.746 -0.081) 4.770 36.762 ( 0.645 0.363 0.866) 1.139 36.778 ( -0.148 0.268 -0.770) 0.828 37.201 ( -0.574 -1.209 0.002) 1.339 37.203 ( -0.638 -1.241 -0.020) 1.395 69.449 ( -1.110 -2.056 0.060) 2.337 69.451 ( -1.201 -2.092 -0.085) 2.414 71.203 ( 3.372 0.012 0.748) 3.454 71.260 ( 1.481 -1.511 -0.955) 2.322 71.706 ( 0.455 8.321 -0.295) 8.339 71.874 ( -7.071 6.428 -0.398) 9.564 72.268 ( 6.167 -2.420 0.218) 6.629 72.436 ( -1.948 -3.874 0.284) 4.345 ======================= Grid point 708 (130/140) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -3.491 12.324 1.975) 12.960 3.091 ( 3.491 12.324 1.975) 12.960 3.618 ( -3.790 1.513 2.197) 4.634 3.618 ( 3.790 1.513 2.197) 4.634 5.146 ( -3.897 24.979 1.096) 25.305 5.146 ( 3.897 24.979 1.096) 25.305 5.327 ( -8.326 2.555 9.001) 12.525 5.327 ( 8.326 2.555 9.001) 12.525 5.743 ( -7.491 5.087 -13.915) 16.602 5.743 ( 7.491 5.087 -13.915) 16.602 8.208 ( -7.230 -11.706 1.280) 13.818 8.208 ( 7.230 -11.706 1.280) 13.818 9.238 ( -4.465 32.311 -5.030) 33.003 9.238 ( 4.465 32.311 -5.030) 33.003 11.994 ( -6.938 -0.941 4.775) 8.475 11.994 ( 6.938 -0.941 4.775) 8.475 12.679 ( -3.426 -0.554 -0.690) 3.538 12.679 ( 3.426 -0.554 -0.690) 3.538 32.297 ( -0.356 -0.350 0.102) 0.509 32.297 ( 0.356 -0.350 0.102) 0.509 32.372 ( -0.581 -1.085 0.032) 1.231 32.372 ( 0.581 -1.085 0.032) 1.231 32.622 ( -0.299 -3.693 -0.017) 3.705 32.622 ( 0.299 -3.693 -0.017) 3.705 36.772 ( -0.412 0.291 0.055) 0.507 36.772 ( 0.412 0.291 0.055) 0.507 37.196 ( -0.044 -1.236 -0.011) 1.237 37.196 ( 0.044 -1.236 -0.011) 1.237 69.438 ( -0.055 -2.033 -0.011) 2.034 69.438 ( 0.055 -2.033 -0.011) 2.034 71.257 ( -1.738 -1.155 0.046) 2.087 71.257 ( 1.738 -1.155 0.046) 2.087 71.756 ( -4.546 7.751 -0.507) 9.000 71.756 ( 4.546 7.751 -0.507) 9.000 72.373 ( -4.346 -3.029 0.252) 5.303 72.373 ( 4.346 -3.029 0.252) 5.303 ======================= Grid point 718 (131/140) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 10.616 10.616 8.936) 17.472 3.080 ( 13.043 13.043 1.427) 18.501 3.297 ( 5.395 5.395 -0.593) 7.653 3.363 ( 7.583 7.583 -8.025) 13.395 5.094 ( 0.562 0.562 20.268) 20.284 5.117 ( 0.694 0.694 10.694) 10.738 5.358 ( 7.130 7.130 -15.403) 18.410 5.403 ( -1.747 -1.747 -11.101) 11.373 6.412 ( 5.335 5.335 7.070) 10.340 6.577 ( 8.910 8.910 -8.827) 15.385 7.768 ( -2.923 -2.923 2.955) 5.081 7.785 ( -7.134 -7.134 1.902) 10.266 9.696 ( 13.086 13.086 10.157) 21.110 9.968 ( 8.829 8.829 -17.307) 21.342 11.175 ( 16.037 16.037 15.097) 27.245 11.476 ( 14.664 14.664 -15.478) 25.877 12.118 ( 9.904 9.904 5.284) 14.969 12.182 ( 5.020 5.020 -1.000) 7.169 32.313 ( -0.273 -0.273 1.228) 1.288 32.325 ( -0.491 -0.491 1.870) 1.995 32.336 ( -0.834 -0.834 -0.810) 1.431 32.369 ( -0.562 -0.562 -2.320) 2.452 32.731 ( -4.790 -4.790 0.446) 6.788 32.737 ( -4.667 -4.667 -0.174) 6.603 36.744 ( 0.690 0.690 1.876) 2.115 36.780 ( 0.244 0.244 -1.830) 1.862 37.217 ( -1.312 -1.312 0.067) 1.857 37.219 ( -1.357 -1.357 -0.101) 1.922 69.480 ( -2.456 -2.456 0.119) 3.476 69.483 ( -2.443 -2.443 -0.162) 3.459 71.110 ( 2.329 2.329 2.576) 4.181 71.166 ( 2.175 2.175 -3.219) 4.452 71.914 ( 2.441 2.441 1.130) 3.632 71.937 ( 2.842 2.842 -1.186) 4.190 72.272 ( -1.410 -1.410 1.672) 2.602 72.300 ( -2.088 -2.088 -1.166) 3.175 ======================= Grid point 719 (132/140) ======================= q-point: ( 0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 7.028 14.823 7.327) 17.967 3.319 ( 3.120 9.955 0.500) 10.445 3.371 ( 10.423 7.064 2.662) 12.870 3.544 ( 7.812 1.694 -7.003) 10.628 5.103 ( 1.165 -2.934 16.803) 17.097 5.145 ( 1.950 0.018 15.924) 16.043 5.366 ( -1.331 -2.339 -8.864) 9.264 5.517 ( 9.199 8.770 -19.611) 23.369 6.243 ( -14.463 26.936 3.562) 30.780 6.735 ( -3.674 16.769 -4.116) 17.653 7.570 ( 1.195 -8.640 1.204) 8.805 7.934 ( 6.416 -20.027 2.761) 21.210 9.823 ( 1.858 26.638 4.636) 27.102 10.046 ( -0.410 22.464 -12.340) 25.634 11.530 ( 17.689 9.501 10.536) 22.676 11.891 ( 22.865 3.456 -10.209) 25.278 12.229 ( 3.816 5.483 2.582) 7.162 12.374 ( 12.862 2.192 1.334) 13.115 32.301 ( -0.677 0.051 1.041) 1.243 32.315 ( -0.848 -0.663 -0.245) 1.104 32.328 ( 0.214 -1.146 1.150) 1.638 32.361 ( -0.260 -0.961 -1.891) 2.137 32.637 ( -4.479 -4.574 0.420) 6.415 32.646 ( -4.370 -4.621 -0.243) 6.364 36.758 ( 0.658 0.536 1.374) 1.615 36.784 ( 0.075 0.225 -1.278) 1.300 37.193 ( -1.111 -1.339 -0.015) 1.740 37.194 ( -1.126 -1.394 -0.077) 1.793 69.436 ( -1.946 -2.293 0.109) 3.009 69.438 ( -1.975 -2.309 -0.154) 3.043 71.161 ( 2.726 1.708 2.104) 3.844 71.213 ( 2.336 0.929 -2.403) 3.478 71.883 ( -1.672 7.833 0.154) 8.011 72.065 ( 4.928 -0.659 -0.412) 4.989 72.153 ( -4.859 3.260 0.270) 5.858 72.340 ( 1.677 -5.988 0.176) 6.221 ======================= Grid point 720 (133/140) ======================= q-point: ( 0.42 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 4.643 13.342 6.392) 15.505 3.340 ( 0.384 10.309 2.491) 10.613 3.563 ( 7.478 4.374 1.869) 8.862 3.652 ( 2.995 1.808 -4.986) 6.090 5.138 ( 2.251 -7.969 13.932) 16.208 5.192 ( 1.677 -4.961 18.517) 19.243 5.381 ( 4.346 6.192 -4.526) 8.815 5.694 ( 5.196 7.684 -18.736) 20.906 5.972 ( -8.438 32.245 2.786) 33.447 6.464 ( -18.706 26.077 -8.516) 33.203 7.745 ( 11.643 -15.440 1.607) 19.404 8.001 ( 0.109 -17.407 2.473) 17.582 9.844 ( 1.344 31.133 -0.383) 31.164 9.986 ( -4.650 29.306 -8.172) 30.777 11.828 ( 12.241 5.687 6.941) 15.178 12.105 ( -0.754 4.197 0.929) 4.364 12.452 ( 16.224 -0.161 -2.208) 16.374 12.605 ( 8.878 -0.107 -0.742) 8.909 32.291 ( -0.299 -0.163 0.703) 0.781 32.299 ( -0.669 -0.522 -0.058) 0.851 32.337 ( 0.611 -1.203 0.674) 1.508 32.357 ( -0.232 -1.112 -1.125) 1.598 32.564 ( -2.686 -4.526 0.253) 5.270 32.572 ( -2.902 -4.560 -0.237) 5.410 36.769 ( 0.532 0.391 0.763) 1.009 36.783 ( -0.136 0.231 -0.615) 0.671 37.175 ( -0.615 -1.388 -0.062) 1.519 37.176 ( -0.649 -1.422 -0.074) 1.565 69.406 ( -1.040 -2.186 0.064) 2.422 69.407 ( -1.111 -2.200 -0.099) 2.466 71.213 ( 2.444 0.992 1.213) 2.903 71.249 ( 1.080 0.224 -1.138) 1.585 71.868 ( 0.444 7.917 -0.087) 7.930 72.001 ( -5.762 6.155 -0.328) 8.437 72.215 ( 5.523 -2.837 0.085) 6.210 72.349 ( -0.871 -4.765 0.194) 4.848 ======================= Grid point 721 (134/140) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( -1.544 11.340 4.744) 12.389 3.331 ( 1.544 11.340 4.744) 12.389 3.659 ( -2.251 2.646 -1.376) 3.736 3.659 ( 2.251 2.646 -1.376) 3.736 5.183 ( -1.946 -10.284 14.356) 17.767 5.183 ( 1.946 -10.284 14.356) 17.767 5.556 ( -11.983 14.088 -0.139) 18.496 5.556 ( 11.983 14.088 -0.139) 18.496 6.108 ( -15.917 26.808 -12.629) 33.638 6.108 ( 15.917 26.808 -12.629) 33.638 7.935 ( -6.793 -15.688 2.192) 17.236 7.935 ( 6.793 -15.688 2.192) 17.236 9.896 ( -3.886 31.643 -4.471) 32.193 9.896 ( 3.886 31.643 -4.471) 32.193 12.018 ( -7.162 4.282 4.571) 9.514 12.018 ( 7.162 4.282 4.571) 9.514 12.664 ( -3.879 -0.921 -1.984) 4.453 12.664 ( 3.879 -0.921 -1.984) 4.453 32.290 ( -0.210 -0.367 0.316) 0.528 32.290 ( 0.210 -0.367 0.316) 0.528 32.349 ( -0.564 -1.154 -0.162) 1.294 32.349 ( 0.564 -1.154 -0.162) 1.294 32.539 ( -0.261 -4.550 -0.054) 4.558 32.539 ( 0.261 -4.550 -0.054) 4.558 36.778 ( -0.348 0.284 0.085) 0.457 36.778 ( 0.348 0.284 0.085) 0.457 37.169 ( -0.026 -1.422 -0.077) 1.424 37.169 ( 0.026 -1.422 -0.077) 1.424 69.396 ( -0.043 -2.153 -0.015) 2.154 69.396 ( 0.043 -2.153 -0.015) 2.154 71.249 ( -1.021 0.335 0.135) 1.083 71.249 ( 1.021 0.335 0.135) 1.083 71.907 ( -3.517 7.302 -0.293) 8.111 71.907 ( 3.517 7.302 -0.293) 8.111 72.306 ( -3.493 -3.682 0.137) 5.077 72.306 ( 3.493 -3.682 0.137) 5.077 ======================= Grid point 732 (135/140) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 7.969 7.969 11.814) 16.327 3.463 ( 3.554 3.554 4.798) 6.949 3.515 ( 8.231 8.231 -2.401) 11.885 3.619 ( 5.466 5.466 -10.387) 12.948 5.018 ( -4.263 -4.263 15.704) 16.822 5.100 ( -4.666 -4.666 15.642) 16.976 5.405 ( 6.641 6.641 -0.867) 9.431 5.708 ( 10.764 10.764 -23.336) 27.862 6.642 ( 5.296 5.296 15.194) 16.940 6.916 ( 7.668 7.668 -12.906) 16.857 7.521 ( -5.736 -5.736 3.822) 8.968 7.560 ( -7.186 -7.186 0.310) 10.167 10.204 ( 11.381 11.381 3.955) 16.574 10.350 ( 8.778 8.778 -10.888) 16.513 11.811 ( 15.220 15.220 12.289) 24.786 12.061 ( 14.119 14.119 -13.254) 23.967 12.330 ( 3.006 3.006 7.168) 8.334 12.437 ( 6.380 6.380 -3.782) 9.783 32.301 ( -0.673 -0.673 0.379) 1.024 32.303 ( -0.217 -0.217 0.058) 0.313 32.308 ( -0.523 -0.523 1.721) 1.873 32.346 ( -0.541 -0.541 -2.062) 2.200 32.547 ( -4.368 -4.368 0.527) 6.200 32.556 ( -4.306 -4.306 -0.422) 6.105 36.768 ( 0.495 0.495 1.037) 1.251 36.787 ( 0.079 0.079 -0.872) 0.879 37.168 ( -1.155 -1.155 -0.082) 1.635 37.168 ( -1.176 -1.176 -0.111) 1.667 69.394 ( -1.821 -1.821 0.093) 2.577 69.396 ( -1.854 -1.854 -0.133) 2.626 71.199 ( 2.125 2.125 2.024) 3.623 71.238 ( 1.495 1.495 -2.001) 2.911 72.013 ( 2.412 2.412 1.982) 3.946 72.052 ( 2.824 2.824 -2.038) 4.484 72.218 ( -1.978 -1.978 0.398) 2.826 72.224 ( -1.017 -1.017 -0.257) 1.461 ======================= Grid point 733 (136/140) ======================= q-point: ( 0.42 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( 3.160 7.732 10.201) 13.184 3.508 ( 1.535 6.707 5.898) 9.063 3.654 ( 5.406 4.738 -3.613) 8.045 3.710 ( 2.934 3.935 -8.528) 9.840 4.955 ( -1.881 -9.476 13.344) 16.474 5.006 ( -4.121 -10.565 11.670) 16.272 5.599 ( 12.250 13.708 7.839) 19.985 5.903 ( 6.415 12.737 -16.741) 21.992 6.537 ( -6.309 23.251 8.601) 25.581 6.910 ( -13.644 18.140 -9.295) 24.528 7.441 ( 8.201 -14.219 1.376) 16.472 7.634 ( 2.539 -19.280 1.654) 19.516 10.333 ( 3.681 17.168 0.006) 17.558 10.426 ( 0.010 14.562 -7.440) 16.353 12.043 ( 8.838 14.917 7.752) 18.993 12.256 ( -0.467 10.754 1.334) 10.846 12.459 ( 13.491 0.991 -3.165) 13.892 12.599 ( 7.361 -0.126 -4.103) 8.429 32.289 ( -0.484 -0.427 0.506) 0.820 32.290 ( -0.525 0.065 0.798) 0.958 32.314 ( 0.658 -1.046 0.529) 1.344 32.339 ( -0.326 -0.714 -1.616) 1.797 32.475 ( -2.711 -4.371 0.400) 5.159 32.483 ( -2.894 -4.270 -0.449) 5.178 36.777 ( 0.390 0.335 0.615) 0.802 36.786 ( -0.092 0.118 -0.380) 0.408 37.149 ( -0.661 -1.198 -0.137) 1.375 37.150 ( -0.671 -1.220 -0.139) 1.399 69.366 ( -0.976 -1.741 0.053) 1.996 69.368 ( -1.034 -1.763 -0.078) 2.045 71.240 ( 1.842 1.598 1.272) 2.750 71.263 ( 0.836 1.086 -0.982) 1.686 72.010 ( 0.069 6.212 0.587) 6.240 72.105 ( -3.911 4.049 -0.115) 5.631 72.164 ( 4.081 -2.010 -0.370) 4.564 72.255 ( 0.369 -4.525 -0.133) 4.542 ======================= Grid point 734 (137/140) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( -0.659 7.427 7.845) 10.823 3.518 ( 0.659 7.427 7.845) 10.823 3.723 ( -1.540 3.765 -5.857) 7.131 3.723 ( 1.540 3.765 -5.857) 7.131 4.950 ( -1.402 -12.046 11.659) 16.823 4.950 ( 1.402 -12.046 11.659) 16.823 5.847 ( -10.919 15.754 3.861) 19.553 5.847 ( 10.919 15.754 3.861) 19.553 6.607 ( -12.883 21.613 -6.776) 26.057 6.607 ( 12.883 21.613 -6.776) 26.057 7.605 ( -5.619 -17.146 1.438) 18.100 7.605 ( 5.619 -17.146 1.438) 18.100 10.392 ( -2.664 17.506 -3.907) 18.133 10.392 ( 2.664 17.506 -3.907) 18.133 12.183 ( -5.606 11.958 5.129) 14.168 12.183 ( 5.606 11.958 5.129) 14.168 12.647 ( -3.596 -0.509 -4.278) 5.612 12.647 ( 3.596 -0.509 -4.278) 5.612 32.284 ( -0.030 -0.176 0.696) 0.718 32.284 ( 0.030 -0.176 0.696) 0.718 32.329 ( -0.709 -0.868 -0.492) 1.224 32.329 ( 0.709 -0.868 -0.492) 1.224 32.450 ( -0.311 -4.360 -0.127) 4.373 32.450 ( 0.311 -4.360 -0.127) 4.373 36.783 ( -0.252 0.204 0.133) 0.351 36.783 ( 0.252 0.204 0.133) 0.351 37.143 ( -0.010 -1.227 -0.155) 1.236 37.143 ( 0.010 -1.227 -0.155) 1.236 69.357 ( -0.034 -1.721 -0.009) 1.721 69.357 ( 0.034 -1.721 -0.009) 1.721 71.266 ( -0.650 1.174 0.204) 1.358 71.266 ( 0.650 1.174 0.204) 1.358 72.035 ( -2.536 5.447 0.214) 6.012 72.035 ( 2.536 5.447 0.214) 6.012 72.234 ( -2.437 -3.314 -0.262) 4.122 72.234 ( 2.437 -3.314 -0.262) 4.122 ======================= Grid point 746 (138/140) ======================= q-point: ( 0.42 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( 3.274 3.274 9.602) 10.660 3.606 ( 2.911 2.911 8.554) 9.493 3.742 ( 3.922 3.922 -6.946) 8.889 3.781 ( 2.538 2.538 -8.999) 9.688 4.798 ( -5.828 -5.828 11.860) 14.442 4.825 ( -7.125 -7.125 10.221) 14.353 5.895 ( 15.722 15.722 11.986) 25.259 6.150 ( 10.074 10.074 -11.763) 18.476 6.801 ( 2.712 2.712 20.545) 20.900 7.161 ( 4.537 4.537 -16.331) 17.546 7.210 ( -10.543 -10.543 7.439) 16.663 7.337 ( -3.645 -3.645 -7.032) 8.719 10.541 ( 5.518 5.518 -1.249) 7.903 10.589 ( 3.328 3.328 -6.143) 7.739 12.305 ( 9.106 9.106 10.704) 16.746 12.438 ( 2.334 2.334 10.121) 10.646 12.522 ( 8.576 8.576 -11.585) 16.772 12.629 ( 3.370 3.370 -9.442) 10.577 32.283 ( -0.142 -0.142 1.054) 1.073 32.293 ( -0.251 -0.251 1.857) 1.891 32.301 ( 0.207 0.207 -0.776) 0.829 32.329 ( -0.307 -0.307 -1.869) 1.919 32.400 ( -2.923 -2.923 0.475) 4.160 32.411 ( -2.937 -2.937 -0.613) 4.198 36.782 ( 0.240 0.240 0.421) 0.541 36.788 ( -0.013 -0.013 -0.098) 0.100 37.130 ( -0.694 -0.694 -0.198) 1.001 37.130 ( -0.696 -0.696 -0.196) 1.003 69.339 ( -0.940 -0.940 0.033) 1.330 69.340 ( -0.973 -0.973 -0.041) 1.377 71.271 ( 1.390 1.390 0.882) 2.155 71.284 ( 0.797 0.797 -0.452) 1.214 72.093 ( 1.513 1.513 2.725) 3.464 72.146 ( 1.772 1.772 -2.699) 3.682 72.151 ( -1.304 -1.304 2.174) 2.851 72.193 ( -0.556 -0.556 -2.147) 2.286 ======================= Grid point 747 (139/140) ======================= q-point: (-0.50 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( -0.818 3.493 8.905) 9.600 3.624 ( 0.818 3.493 8.905) 9.600 3.795 ( -1.148 3.043 -8.146) 8.771 3.795 ( 1.148 3.043 -8.146) 8.771 4.745 ( -0.731 -8.004 10.666) 13.355 4.745 ( 0.731 -8.004 10.666) 13.355 6.167 ( -9.314 15.907 5.135) 19.135 6.167 ( 9.314 15.907 5.135) 19.135 6.893 ( -11.609 4.939 7.935) 14.904 6.893 ( 11.609 4.939 7.935) 14.904 7.312 ( -3.640 -9.736 -8.667) 13.533 7.312 ( 3.640 -9.736 -8.667) 13.533 10.602 ( -1.323 5.184 -3.822) 6.575 10.602 ( 1.323 5.184 -3.822) 6.575 12.413 ( -3.159 8.726 8.720) 12.734 12.413 ( 3.159 8.726 8.720) 12.734 12.658 ( -2.499 2.041 -9.128) 9.681 12.658 ( 2.499 2.041 -9.128) 9.681 32.284 ( -0.305 0.188 1.314) 1.362 32.284 ( 0.305 0.188 1.314) 1.362 32.317 ( -1.024 -0.211 -0.985) 1.436 32.317 ( 1.024 -0.211 -0.985) 1.436 32.374 ( -0.515 -3.164 -0.272) 3.217 32.374 ( 0.515 -3.164 -0.272) 3.217 36.786 ( -0.132 0.100 0.180) 0.245 36.786 ( 0.132 0.100 0.180) 0.245 37.123 ( -0.002 -0.706 -0.221) 0.740 37.123 ( 0.002 -0.706 -0.221) 0.740 69.330 ( -0.019 -0.940 0.001) 0.940 69.330 ( 0.019 -0.940 0.001) 0.940 71.289 ( -0.349 1.011 0.241) 1.096 71.289 ( 0.349 1.011 0.241) 1.096 72.112 ( -1.439 2.072 1.905) 3.161 72.112 ( 1.439 2.072 1.905) 3.161 72.186 ( -1.230 -1.217 -1.864) 2.543 72.186 ( 1.230 -1.217 -1.864) 2.543 ======================= Grid point 766 (140/140) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( 0.000 0.000 8.749) 8.749 3.659 ( 0.000 0.000 8.749) 8.749 3.827 ( 0.000 0.000 -8.514) 8.514 3.827 ( 0.000 0.000 -8.514) 8.514 4.661 ( -0.000 -0.000 10.491) 10.491 4.661 ( 0.000 0.000 10.491) 10.491 6.374 ( -0.000 -0.000 2.544) 2.544 6.374 ( 0.000 0.000 2.544) 2.544 6.855 ( 0.000 0.000 22.554) 22.554 6.855 ( 0.000 0.000 22.554) 22.554 7.255 ( -0.000 -0.000 -18.630) 18.630 7.255 ( 0.000 0.000 -18.630) 18.630 10.646 ( 0.000 0.000 -3.932) 3.932 10.646 ( 0.000 0.000 -3.932) 3.932 12.490 ( 0.000 0.000 10.216) 10.216 12.490 ( 0.000 0.000 10.216) 10.216 12.697 ( 0.000 0.000 -11.026) 11.026 12.697 ( 0.000 0.000 -11.026) 11.026 32.288 ( -0.000 -0.000 1.819) 1.819 32.288 ( 0.000 0.000 1.819) 1.819 32.323 ( -0.000 -0.000 -1.789) 1.789 32.323 ( 0.000 0.000 -1.789) 1.789 32.333 ( 0.000 0.000 0.019) 0.019 32.333 ( 0.000 0.000 0.019) 0.019 36.787 ( 0.000 0.000 0.200) 0.200 36.787 ( 0.000 0.000 0.200) 0.200 37.116 ( 0.000 0.000 -0.247) 0.247 37.116 ( 0.000 0.000 -0.247) 0.247 69.321 ( 0.000 0.000 0.005) 0.005 69.321 ( 0.000 0.000 0.005) 0.005 71.300 ( 0.000 0.000 0.252) 0.252 71.300 ( 0.000 0.000 0.252) 0.252 72.124 ( 0.000 0.000 3.020) 3.020 72.124 ( 0.000 0.000 3.020) 3.020 72.182 ( 0.000 0.000 -2.944) 2.944 72.182 ( 0.000 0.000 -2.944) 2.944 =================== 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 3/46656 10.0 1209.503 1209.503 2104.284 -0.000 -0.000 0.000 3/46656 20.0 238.855 238.855 238.894 -0.000 -0.000 0.000 3/46656 30.0 71.332 71.332 63.258 -0.000 -0.000 0.000 3/46656 40.0 32.956 32.956 29.102 -0.000 -0.000 0.000 3/46656 50.0 19.471 19.471 17.684 -0.000 -0.000 0.000 3/46656 60.0 13.280 13.280 12.434 -0.000 -0.000 0.000 3/46656 70.0 9.904 9.904 9.498 -0.000 -0.000 0.000 3/46656 80.0 7.837 7.837 7.645 0.000 -0.000 0.000 3/46656 90.0 6.465 6.465 6.381 0.000 -0.000 0.000 3/46656 100.0 5.498 5.498 5.469 0.000 -0.000 0.000 3/46656 110.0 4.785 4.785 4.785 0.000 -0.000 0.000 3/46656 120.0 4.240 4.240 4.254 0.000 -0.000 0.000 3/46656 130.0 3.811 3.811 3.832 0.000 -0.000 0.000 3/46656 140.0 3.464 3.464 3.488 0.000 -0.000 0.000 3/46656 150.0 3.179 3.179 3.203 0.000 -0.000 0.000 3/46656 160.0 2.940 2.940 2.964 0.000 -0.000 0.000 3/46656 170.0 2.737 2.737 2.759 0.000 -0.000 0.000 3/46656 180.0 2.561 2.561 2.581 0.000 -0.000 0.000 3/46656 190.0 2.408 2.408 2.427 0.000 -0.000 0.000 3/46656 200.0 2.274 2.274 2.290 0.000 -0.000 0.000 3/46656 210.0 2.155 2.155 2.169 0.000 -0.000 0.000 3/46656 220.0 2.048 2.048 2.061 0.000 -0.000 0.000 3/46656 230.0 1.952 1.952 1.963 0.000 -0.000 0.000 3/46656 240.0 1.865 1.865 1.874 0.000 -0.000 0.000 3/46656 250.0 1.786 1.786 1.794 0.000 -0.000 0.000 3/46656 260.0 1.713 1.713 1.720 0.000 -0.000 0.000 3/46656 270.0 1.647 1.647 1.653 0.000 -0.000 0.000 3/46656 280.0 1.586 1.586 1.590 0.000 -0.000 0.000 3/46656 290.0 1.529 1.529 1.532 0.000 -0.000 0.000 3/46656 300.0 1.477 1.477 1.479 0.000 -0.000 0.000 3/46656 310.0 1.428 1.428 1.429 0.000 -0.000 0.000 3/46656 320.0 1.383 1.383 1.383 0.000 -0.000 0.000 3/46656 330.0 1.340 1.340 1.339 0.000 -0.000 0.000 3/46656 340.0 1.300 1.300 1.298 0.000 -0.000 0.000 3/46656 350.0 1.263 1.263 1.260 0.000 -0.000 0.000 3/46656 360.0 1.227 1.227 1.224 0.000 -0.000 0.000 3/46656 370.0 1.194 1.194 1.190 0.000 -0.000 0.000 3/46656 380.0 1.163 1.163 1.158 0.000 -0.000 0.000 3/46656 390.0 1.133 1.133 1.127 0.000 -0.000 0.000 3/46656 400.0 1.105 1.105 1.098 0.000 -0.000 0.000 3/46656 410.0 1.078 1.078 1.071 0.000 -0.000 0.000 3/46656 420.0 1.053 1.053 1.045 0.000 -0.000 0.000 3/46656 430.0 1.028 1.028 1.020 0.000 -0.000 0.000 3/46656 440.0 1.005 1.005 0.997 0.000 -0.000 0.000 3/46656 450.0 0.983 0.983 0.974 0.000 -0.000 0.000 3/46656 460.0 0.962 0.962 0.953 0.000 -0.000 0.000 3/46656 470.0 0.942 0.942 0.932 0.000 -0.000 0.000 3/46656 480.0 0.923 0.923 0.913 0.000 -0.000 0.000 3/46656 490.0 0.905 0.905 0.894 0.000 -0.000 0.000 3/46656 500.0 0.887 0.887 0.876 0.000 -0.000 0.000 3/46656 510.0 0.870 0.870 0.858 0.000 -0.000 0.000 3/46656 520.0 0.854 0.854 0.842 0.000 -0.000 0.000 3/46656 530.0 0.838 0.838 0.826 0.000 -0.000 0.000 3/46656 540.0 0.823 0.823 0.810 0.000 -0.000 0.000 3/46656 550.0 0.809 0.809 0.796 0.000 -0.000 0.000 3/46656 560.0 0.795 0.795 0.781 0.000 -0.000 0.000 3/46656 570.0 0.781 0.781 0.768 0.000 -0.000 0.000 3/46656 580.0 0.768 0.768 0.754 0.000 -0.000 0.000 3/46656 590.0 0.756 0.756 0.742 0.000 -0.000 0.000 3/46656 600.0 0.744 0.744 0.729 0.000 -0.000 0.000 3/46656 610.0 0.732 0.732 0.717 0.000 -0.000 0.000 3/46656 620.0 0.721 0.721 0.706 0.000 -0.000 0.000 3/46656 630.0 0.710 0.710 0.694 0.000 -0.000 0.000 3/46656 640.0 0.699 0.699 0.684 0.000 -0.000 0.000 3/46656 650.0 0.689 0.689 0.673 0.000 -0.000 0.000 3/46656 660.0 0.679 0.679 0.663 0.000 -0.000 0.000 3/46656 670.0 0.670 0.670 0.653 0.000 -0.000 0.000 3/46656 680.0 0.660 0.660 0.644 0.000 -0.000 0.000 3/46656 690.0 0.651 0.651 0.634 0.000 -0.000 0.000 3/46656 700.0 0.642 0.642 0.625 0.000 -0.000 0.000 3/46656 710.0 0.634 0.634 0.617 0.000 -0.000 0.000 3/46656 720.0 0.626 0.626 0.608 0.000 -0.000 0.000 3/46656 730.0 0.617 0.617 0.600 0.000 -0.000 0.000 3/46656 740.0 0.610 0.610 0.592 0.000 -0.000 0.000 3/46656 750.0 0.602 0.602 0.584 0.000 -0.000 0.000 3/46656 760.0 0.595 0.595 0.576 0.000 -0.000 0.000 3/46656 770.0 0.587 0.587 0.569 0.000 -0.000 0.000 3/46656 780.0 0.580 0.580 0.562 0.000 -0.000 0.000 3/46656 790.0 0.573 0.573 0.555 0.000 -0.000 0.000 3/46656 800.0 0.567 0.567 0.548 0.000 -0.000 0.000 3/46656 810.0 0.560 0.560 0.541 0.000 -0.000 0.000 3/46656 820.0 0.554 0.554 0.535 0.000 -0.000 0.000 3/46656 830.0 0.548 0.548 0.528 0.000 -0.000 0.000 3/46656 840.0 0.541 0.541 0.522 0.000 -0.000 0.000 3/46656 850.0 0.536 0.536 0.516 0.000 -0.000 0.000 3/46656 860.0 0.530 0.530 0.510 0.000 -0.000 0.000 3/46656 870.0 0.524 0.524 0.504 0.000 -0.000 0.000 3/46656 880.0 0.519 0.519 0.499 0.000 -0.000 0.000 3/46656 890.0 0.513 0.513 0.493 0.000 -0.000 0.000 3/46656 900.0 0.508 0.508 0.488 0.000 -0.000 0.000 3/46656 910.0 0.503 0.503 0.483 0.000 -0.000 0.000 3/46656 920.0 0.498 0.498 0.477 0.000 -0.000 0.000 3/46656 930.0 0.493 0.493 0.472 0.000 -0.000 0.000 3/46656 940.0 0.488 0.488 0.467 0.000 -0.000 0.000 3/46656 950.0 0.483 0.483 0.463 0.000 -0.000 0.000 3/46656 960.0 0.479 0.479 0.458 0.000 -0.000 0.000 3/46656 970.0 0.474 0.474 0.453 0.000 -0.000 0.000 3/46656 980.0 0.470 0.470 0.449 0.000 -0.000 0.000 3/46656 990.0 0.465 0.465 0.444 0.000 -0.000 0.000 3/46656 1000.0 0.461 0.461 0.440 0.000 -0.000 0.000 3/46656 Thermal conductivity related properties were written into "kappa-m12129.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:33:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|