----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:51:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.297329650474790 -4.321532565000001 0.000000000000000 b 4.297329650474790 4.321532565000001 0.000000000000000 c -3.913216149973284 0.000000000000000 4.559726787153148 Atomic positions (fractional): *1 O 0.24591391680826 0.13818413537002 0.25668191215605 15.999 2 O 0.75408608319174 0.86181586462999 0.74331808784395 15.999 3 O 0.86181586462999 0.75408608319174 0.24331808784395 15.999 4 O 0.13818413537001 0.24591391680826 0.75668191215605 15.999 *5 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 *6 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 7 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 8 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 *9 Pb 0.87327057571836 0.12672942428164 0.25000000000000 207.200 10 Pb 0.12672942428164 0.87327057571836 0.75000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.594659300949580 0.000000000000000 0.000000000000000 b 0.000000000000000 8.643065130000002 0.000000000000000 c -3.913216149973284 0.000000000000000 4.559726787153148 Atomic positions (fractional): *1 O 0.19204902608914 0.94613510928088 0.25668191215605 15.999 > 1 2 O 0.80795097391086 0.05386489071912 0.74331808784395 15.999 > 2 3 O 0.80795097391086 0.94613510928088 0.24331808784395 15.999 > 3 4 O 0.19204902608914 0.05386489071912 0.75668191215605 15.999 > 4 5 O 0.69204902608914 0.44613510928088 0.25668191215605 15.999 > 1 6 O 0.30795097391086 0.55386489071912 0.74331808784395 15.999 > 2 7 O 0.30795097391086 0.44613510928088 0.24331808784395 15.999 > 3 8 O 0.69204902608914 0.55386489071912 0.75668191215605 15.999 > 4 *9 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 5 *10 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 > 6 11 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 7 12 Ag 0.75000000000000 0.25000000000000 0.50000000000000 107.868 > 8 13 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 5 14 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 > 6 15 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 7 16 Ag 0.25000000000000 0.75000000000000 0.50000000000000 107.868 > 8 *17 Pb 0.50000000000000 0.62672942428164 0.25000000000000 207.200 > 9 18 Pb 0.50000000000000 0.37327057571836 0.75000000000000 207.200 > 10 19 Pb 0.00000000000000 0.12672942428164 0.25000000000000 207.200 > 9 20 Pb 0.00000000000000 0.87327057571836 0.75000000000000 207.200 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.189318601899160 0.000000000000000 0.000000000000000 b 0.000000000000000 8.643065130000002 0.000000000000000 c -7.826432299946568 0.000000000000000 9.119453574306297 Atomic positions (fractional): *1 O 0.09602451304457 0.94613510928088 0.12834095607803 15.999 > 1 2 O 0.59602451304457 0.94613510928088 0.12834095607803 15.999 > 1 3 O 0.09602451304457 0.94613510928088 0.62834095607803 15.999 > 1 4 O 0.59602451304457 0.94613510928088 0.62834095607803 15.999 > 1 5 O 0.40397548695543 0.05386489071912 0.37165904392197 15.999 > 2 6 O 0.90397548695543 0.05386489071912 0.37165904392197 15.999 > 2 7 O 0.40397548695543 0.05386489071912 0.87165904392197 15.999 > 2 8 O 0.90397548695543 0.05386489071912 0.87165904392197 15.999 > 2 9 O 0.40397548695543 0.94613510928088 0.12165904392197 15.999 > 3 10 O 0.90397548695543 0.94613510928088 0.12165904392197 15.999 > 3 11 O 0.40397548695543 0.94613510928088 0.62165904392197 15.999 > 3 12 O 0.90397548695543 0.94613510928088 0.62165904392197 15.999 > 3 13 O 0.09602451304457 0.05386489071912 0.37834095607803 15.999 > 4 14 O 0.59602451304457 0.05386489071912 0.37834095607803 15.999 > 4 15 O 0.09602451304457 0.05386489071912 0.87834095607803 15.999 > 4 16 O 0.59602451304457 0.05386489071912 0.87834095607803 15.999 > 4 17 O 0.34602451304457 0.44613510928088 0.12834095607803 15.999 > 1 18 O 0.84602451304457 0.44613510928088 0.12834095607803 15.999 > 1 19 O 0.34602451304457 0.44613510928088 0.62834095607803 15.999 > 1 20 O 0.84602451304457 0.44613510928088 0.62834095607803 15.999 > 1 21 O 0.15397548695543 0.55386489071912 0.37165904392197 15.999 > 2 22 O 0.65397548695543 0.55386489071912 0.37165904392197 15.999 > 2 23 O 0.15397548695543 0.55386489071912 0.87165904392197 15.999 > 2 24 O 0.65397548695543 0.55386489071912 0.87165904392197 15.999 > 2 25 O 0.15397548695543 0.44613510928088 0.12165904392197 15.999 > 3 26 O 0.65397548695543 0.44613510928088 0.12165904392197 15.999 > 3 27 O 0.15397548695543 0.44613510928088 0.62165904392197 15.999 > 3 28 O 0.65397548695543 0.44613510928088 0.62165904392197 15.999 > 3 29 O 0.34602451304457 0.55386489071912 0.37834095607803 15.999 > 4 30 O 0.84602451304457 0.55386489071912 0.37834095607803 15.999 > 4 31 O 0.34602451304457 0.55386489071912 0.87834095607803 15.999 > 4 32 O 0.84602451304457 0.55386489071912 0.87834095607803 15.999 > 4 *33 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 5 34 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 5 35 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 5 36 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 5 *37 Ag 0.37500000000000 0.75000000000000 0.00000000000000 107.868 > 6 38 Ag 0.87500000000000 0.75000000000000 0.00000000000000 107.868 > 6 39 Ag 0.37500000000000 0.75000000000000 0.50000000000000 107.868 > 6 40 Ag 0.87500000000000 0.75000000000000 0.50000000000000 107.868 > 6 41 Ag 0.25000000000000 0.00000000000000 0.25000000000000 107.868 > 7 42 Ag 0.75000000000000 0.00000000000000 0.25000000000000 107.868 > 7 43 Ag 0.25000000000000 0.00000000000000 0.75000000000000 107.868 > 7 44 Ag 0.75000000000000 0.00000000000000 0.75000000000000 107.868 > 7 45 Ag 0.37500000000000 0.25000000000000 0.25000000000000 107.868 > 8 46 Ag 0.87500000000000 0.25000000000000 0.25000000000000 107.868 > 8 47 Ag 0.37500000000000 0.25000000000000 0.75000000000000 107.868 > 8 48 Ag 0.87500000000000 0.25000000000000 0.75000000000000 107.868 > 8 49 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 5 50 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 5 51 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 5 52 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 5 53 Ag 0.12500000000000 0.25000000000000 0.00000000000000 107.868 > 6 54 Ag 0.62500000000000 0.25000000000000 0.00000000000000 107.868 > 6 55 Ag 0.12500000000000 0.25000000000000 0.50000000000000 107.868 > 6 56 Ag 0.62500000000000 0.25000000000000 0.50000000000000 107.868 > 6 57 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 7 58 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 7 59 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 7 60 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 7 61 Ag 0.12500000000000 0.75000000000000 0.25000000000000 107.868 > 8 62 Ag 0.62500000000000 0.75000000000000 0.25000000000000 107.868 > 8 63 Ag 0.12500000000000 0.75000000000000 0.75000000000000 107.868 > 8 64 Ag 0.62500000000000 0.75000000000000 0.75000000000000 107.868 > 8 *65 Pb 0.25000000000000 0.62672942428164 0.12500000000000 207.200 > 9 66 Pb 0.75000000000000 0.62672942428164 0.12500000000000 207.200 > 9 67 Pb 0.25000000000000 0.62672942428164 0.62500000000000 207.200 > 9 68 Pb 0.75000000000000 0.62672942428164 0.62500000000000 207.200 > 9 69 Pb 0.25000000000000 0.37327057571836 0.37500000000000 207.200 > 10 70 Pb 0.75000000000000 0.37327057571836 0.37500000000000 207.200 > 10 71 Pb 0.25000000000000 0.37327057571836 0.87500000000000 207.200 > 10 72 Pb 0.75000000000000 0.37327057571836 0.87500000000000 207.200 > 10 73 Pb 0.00000000000000 0.12672942428164 0.12500000000000 207.200 > 9 74 Pb 0.50000000000000 0.12672942428164 0.12500000000000 207.200 > 9 75 Pb 0.00000000000000 0.12672942428164 0.62500000000000 207.200 > 9 76 Pb 0.50000000000000 0.12672942428164 0.62500000000000 207.200 > 9 77 Pb 0.00000000000000 0.87327057571836 0.37500000000000 207.200 > 10 78 Pb 0.50000000000000 0.87327057571836 0.37500000000000 207.200 > 10 79 Pb 0.00000000000000 0.87327057571836 0.87500000000000 207.200 > 10 80 Pb 0.50000000000000 0.87327057571836 0.87500000000000 207.200 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2292540 0.0000000 -0.3121935 0.0000000 8.6303712 0.0000000 -0.3121928 0.0000000 8.1597842 -------------------------- Born effective charges -------------------------- 1 O -2.3436607 0.6983436 0.0751917 0.6061550 -2.3596342 -0.1105273 0.0300861 -0.1931669 -2.5737840 2 O -2.3436607 0.6983436 0.0751917 0.6061550 -2.3596342 -0.1105273 0.0300861 -0.1931669 -2.5737840 3 O -2.3436607 -0.6983436 0.0751917 -0.6061550 -2.3596342 0.1105273 0.0300861 0.1931669 -2.5737840 4 O -2.3436607 -0.6983436 0.0751917 -0.6061550 -2.3596342 0.1105273 0.0300861 0.1931669 -2.5737840 5 Ag 1.4334448 -0.3328588 0.5197528 -0.3735730 0.4474004 -0.1137281 0.6016954 -0.2264170 0.9339098 6 Ag 0.4297769 -0.1582905 -0.0915969 -0.2060534 1.5018321 0.5304765 -0.1647100 0.4806834 0.6968872 7 Ag 1.4334448 0.3328588 0.5197528 0.3735730 0.4474004 0.1137281 0.6016954 0.2264170 0.9339098 8 Ag 0.4297769 0.1582905 -0.0915969 0.2060534 1.5018321 -0.5304765 -0.1647100 -0.4806834 0.6968872 9 Pb 2.8240997 -0.0000000 -0.5785393 0.0000000 2.7700359 0.0000000 -0.4971576 0.0000000 3.5167711 10 Pb 2.8240997 -0.0000000 -0.5785393 0.0000000 2.7700359 0.0000000 -0.4971576 0.0000000 3.5167711 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 128 Use standard eigh solver. Tree of FC basis block matrices: - (994, 963), data: False |-- (128, 124), data: True |-- (128, 124), data: True |-- (128, 124), data: True |-- (202, 196), data: True |-- (202, 196), data: True |-- (206, 199), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.757 Solver_block: 200 / 320 - Time: 0.761 Solver_block: 300 / 320 - Time: 0.758 Solver_block: 320 / 320 - Time: 0.195 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.489 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 128 Use standard eigh solver. Tree of FC basis block matrices: - (994, 963), data: False |-- (128, 124), data: True |-- (128, 124), data: True |-- (128, 124), data: True |-- (202, 196), data: True |-- (202, 196), data: True |-- (206, 199), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:51:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:51:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.297329650474790 -4.321532565000001 0.000000000000000 b 4.297329650474790 4.321532565000001 0.000000000000000 c -3.913216149973284 0.000000000000000 4.559726787153148 Atomic positions (fractional): 1 O 0.24591391680826 0.13818413537002 0.25668191215605 15.999 2 O 0.75408608319174 0.86181586462999 0.74331808784395 15.999 3 O 0.86181586462999 0.75408608319174 0.24331808784395 15.999 4 O 0.13818413537001 0.24591391680826 0.75668191215605 15.999 5 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 6 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 7 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 8 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 9 Pb 0.87327057571836 0.12672942428164 0.25000000000000 207.200 10 Pb 0.12672942428164 0.87327057571836 0.75000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.189318601899160 0.000000000000000 0.000000000000000 b 0.000000000000000 8.643065130000002 0.000000000000000 c -7.826432299946568 0.000000000000000 9.119453574306297 Atomic positions (fractional): 1 O 0.09602451304457 0.94613510928088 0.12834095607803 15.999 > 1 2 O 0.59602451304457 0.94613510928088 0.12834095607803 15.999 > 1 3 O 0.09602451304457 0.94613510928088 0.62834095607803 15.999 > 1 4 O 0.59602451304457 0.94613510928088 0.62834095607803 15.999 > 1 5 O 0.40397548695543 0.05386489071912 0.37165904392197 15.999 > 5 6 O 0.90397548695543 0.05386489071912 0.37165904392197 15.999 > 5 7 O 0.40397548695543 0.05386489071912 0.87165904392197 15.999 > 5 8 O 0.90397548695543 0.05386489071912 0.87165904392197 15.999 > 5 9 O 0.40397548695543 0.94613510928088 0.12165904392197 15.999 > 9 10 O 0.90397548695543 0.94613510928088 0.12165904392197 15.999 > 9 11 O 0.40397548695543 0.94613510928088 0.62165904392197 15.999 > 9 12 O 0.90397548695543 0.94613510928088 0.62165904392197 15.999 > 9 13 O 0.09602451304457 0.05386489071912 0.37834095607803 15.999 > 13 14 O 0.59602451304457 0.05386489071912 0.37834095607803 15.999 > 13 15 O 0.09602451304457 0.05386489071912 0.87834095607803 15.999 > 13 16 O 0.59602451304457 0.05386489071912 0.87834095607803 15.999 > 13 17 O 0.34602451304457 0.44613510928088 0.12834095607803 15.999 > 1 18 O 0.84602451304457 0.44613510928088 0.12834095607803 15.999 > 1 19 O 0.34602451304457 0.44613510928088 0.62834095607803 15.999 > 1 20 O 0.84602451304457 0.44613510928088 0.62834095607803 15.999 > 1 21 O 0.15397548695543 0.55386489071912 0.37165904392197 15.999 > 5 22 O 0.65397548695543 0.55386489071912 0.37165904392197 15.999 > 5 23 O 0.15397548695543 0.55386489071912 0.87165904392197 15.999 > 5 24 O 0.65397548695543 0.55386489071912 0.87165904392197 15.999 > 5 25 O 0.15397548695543 0.44613510928088 0.12165904392197 15.999 > 9 26 O 0.65397548695543 0.44613510928088 0.12165904392197 15.999 > 9 27 O 0.15397548695543 0.44613510928088 0.62165904392197 15.999 > 9 28 O 0.65397548695543 0.44613510928088 0.62165904392197 15.999 > 9 29 O 0.34602451304457 0.55386489071912 0.37834095607803 15.999 > 13 30 O 0.84602451304457 0.55386489071912 0.37834095607803 15.999 > 13 31 O 0.34602451304457 0.55386489071912 0.87834095607803 15.999 > 13 32 O 0.84602451304457 0.55386489071912 0.87834095607803 15.999 > 13 33 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 33 34 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 33 35 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 33 36 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 33 37 Ag 0.37500000000000 0.75000000000000 0.00000000000000 107.868 > 37 38 Ag 0.87500000000000 0.75000000000000 0.00000000000000 107.868 > 37 39 Ag 0.37500000000000 0.75000000000000 0.50000000000000 107.868 > 37 40 Ag 0.87500000000000 0.75000000000000 0.50000000000000 107.868 > 37 41 Ag 0.25000000000000 0.00000000000000 0.25000000000000 107.868 > 41 42 Ag 0.75000000000000 0.00000000000000 0.25000000000000 107.868 > 41 43 Ag 0.25000000000000 0.00000000000000 0.75000000000000 107.868 > 41 44 Ag 0.75000000000000 0.00000000000000 0.75000000000000 107.868 > 41 45 Ag 0.37500000000000 0.25000000000000 0.25000000000000 107.868 > 45 46 Ag 0.87500000000000 0.25000000000000 0.25000000000000 107.868 > 45 47 Ag 0.37500000000000 0.25000000000000 0.75000000000000 107.868 > 45 48 Ag 0.87500000000000 0.25000000000000 0.75000000000000 107.868 > 45 49 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 33 50 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 33 51 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 33 52 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 33 53 Ag 0.12500000000000 0.25000000000000 0.00000000000000 107.868 > 37 54 Ag 0.62500000000000 0.25000000000000 0.00000000000000 107.868 > 37 55 Ag 0.12500000000000 0.25000000000000 0.50000000000000 107.868 > 37 56 Ag 0.62500000000000 0.25000000000000 0.50000000000000 107.868 > 37 57 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 41 58 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 41 59 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 41 60 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 41 61 Ag 0.12500000000000 0.75000000000000 0.25000000000000 107.868 > 45 62 Ag 0.62500000000000 0.75000000000000 0.25000000000000 107.868 > 45 63 Ag 0.12500000000000 0.75000000000000 0.75000000000000 107.868 > 45 64 Ag 0.62500000000000 0.75000000000000 0.75000000000000 107.868 > 45 65 Pb 0.25000000000000 0.62672942428164 0.12500000000000 207.200 > 65 66 Pb 0.75000000000000 0.62672942428164 0.12500000000000 207.200 > 65 67 Pb 0.25000000000000 0.62672942428164 0.62500000000000 207.200 > 65 68 Pb 0.75000000000000 0.62672942428164 0.62500000000000 207.200 > 65 69 Pb 0.25000000000000 0.37327057571836 0.37500000000000 207.200 > 69 70 Pb 0.75000000000000 0.37327057571836 0.37500000000000 207.200 > 69 71 Pb 0.25000000000000 0.37327057571836 0.87500000000000 207.200 > 69 72 Pb 0.75000000000000 0.37327057571836 0.87500000000000 207.200 > 69 73 Pb 0.00000000000000 0.12672942428164 0.12500000000000 207.200 > 65 74 Pb 0.50000000000000 0.12672942428164 0.12500000000000 207.200 > 65 75 Pb 0.00000000000000 0.12672942428164 0.62500000000000 207.200 > 65 76 Pb 0.50000000000000 0.12672942428164 0.62500000000000 207.200 > 65 77 Pb 0.00000000000000 0.87327057571836 0.37500000000000 207.200 > 69 78 Pb 0.50000000000000 0.87327057571836 0.37500000000000 207.200 > 69 79 Pb 0.00000000000000 0.87327057571836 0.87500000000000 207.200 > 69 80 Pb 0.50000000000000 0.87327057571836 0.87500000000000 207.200 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2292540 0.0000000 -0.3121935 0.0000000 8.6303712 0.0000000 -0.3121928 0.0000000 8.1597842 -------------------------- Born effective charges -------------------------- 1 O -2.3436607 0.6983436 0.0751917 0.6061550 -2.3596342 -0.1105273 0.0300861 -0.1931669 -2.5737840 2 O -2.3436607 0.6983436 0.0751917 0.6061550 -2.3596342 -0.1105273 0.0300861 -0.1931669 -2.5737840 3 O -2.3436607 -0.6983436 0.0751917 -0.6061550 -2.3596342 0.1105273 0.0300861 0.1931669 -2.5737840 4 O -2.3436607 -0.6983436 0.0751917 -0.6061550 -2.3596342 0.1105273 0.0300861 0.1931669 -2.5737840 5 Ag 1.4334448 -0.3328588 0.5197528 -0.3735730 0.4474004 -0.1137281 0.6016954 -0.2264170 0.9339098 6 Ag 0.4297769 -0.1582905 -0.0915969 -0.2060534 1.5018321 0.5304765 -0.1647100 0.4806834 0.6968872 7 Ag 1.4334448 0.3328588 0.5197528 0.3735730 0.4474004 0.1137281 0.6016954 0.2264170 0.9339098 8 Ag 0.4297769 0.1582905 -0.0915969 0.2060534 1.5018321 -0.5304765 -0.1647100 -0.4806834 0.6968872 9 Pb 2.8240997 -0.0000000 -0.5785393 0.0000000 2.7700359 0.0000000 -0.4971576 0.0000000 3.5167711 10 Pb 2.8240997 -0.0000000 -0.5785393 0.0000000 2.7700359 0.0000000 -0.4971576 0.0000000 3.5167711 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 37, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:51:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:51:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.297329650474790 -4.321532565000001 0.000000000000000 b 4.297329650474790 4.321532565000001 0.000000000000000 c -3.913216149973284 0.000000000000000 4.559726787153148 Atomic positions (fractional): 1 O 0.24591391680826 0.13818413537002 0.25668191215605 15.999 2 O 0.75408608319174 0.86181586462999 0.74331808784395 15.999 3 O 0.86181586462999 0.75408608319174 0.24331808784395 15.999 4 O 0.13818413537001 0.24591391680826 0.75668191215605 15.999 5 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 6 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 7 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 8 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 9 Pb 0.87327057571836 0.12672942428164 0.25000000000000 207.200 10 Pb 0.12672942428164 0.87327057571836 0.75000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.189318601899160 0.000000000000000 0.000000000000000 b 0.000000000000000 8.643065130000002 0.000000000000000 c -7.826432299946568 0.000000000000000 9.119453574306297 Atomic positions (fractional): 1 O 0.09602451304457 0.94613510928088 0.12834095607803 15.999 > 1 2 O 0.59602451304457 0.94613510928088 0.12834095607803 15.999 > 1 3 O 0.09602451304457 0.94613510928088 0.62834095607803 15.999 > 1 4 O 0.59602451304457 0.94613510928088 0.62834095607803 15.999 > 1 5 O 0.40397548695543 0.05386489071912 0.37165904392197 15.999 > 5 6 O 0.90397548695543 0.05386489071912 0.37165904392197 15.999 > 5 7 O 0.40397548695543 0.05386489071912 0.87165904392197 15.999 > 5 8 O 0.90397548695543 0.05386489071912 0.87165904392197 15.999 > 5 9 O 0.40397548695543 0.94613510928088 0.12165904392197 15.999 > 9 10 O 0.90397548695543 0.94613510928088 0.12165904392197 15.999 > 9 11 O 0.40397548695543 0.94613510928088 0.62165904392197 15.999 > 9 12 O 0.90397548695543 0.94613510928088 0.62165904392197 15.999 > 9 13 O 0.09602451304457 0.05386489071912 0.37834095607803 15.999 > 13 14 O 0.59602451304457 0.05386489071912 0.37834095607803 15.999 > 13 15 O 0.09602451304457 0.05386489071912 0.87834095607803 15.999 > 13 16 O 0.59602451304457 0.05386489071912 0.87834095607803 15.999 > 13 17 O 0.34602451304457 0.44613510928088 0.12834095607803 15.999 > 1 18 O 0.84602451304457 0.44613510928088 0.12834095607803 15.999 > 1 19 O 0.34602451304457 0.44613510928088 0.62834095607803 15.999 > 1 20 O 0.84602451304457 0.44613510928088 0.62834095607803 15.999 > 1 21 O 0.15397548695543 0.55386489071912 0.37165904392197 15.999 > 5 22 O 0.65397548695543 0.55386489071912 0.37165904392197 15.999 > 5 23 O 0.15397548695543 0.55386489071912 0.87165904392197 15.999 > 5 24 O 0.65397548695543 0.55386489071912 0.87165904392197 15.999 > 5 25 O 0.15397548695543 0.44613510928088 0.12165904392197 15.999 > 9 26 O 0.65397548695543 0.44613510928088 0.12165904392197 15.999 > 9 27 O 0.15397548695543 0.44613510928088 0.62165904392197 15.999 > 9 28 O 0.65397548695543 0.44613510928088 0.62165904392197 15.999 > 9 29 O 0.34602451304457 0.55386489071912 0.37834095607803 15.999 > 13 30 O 0.84602451304457 0.55386489071912 0.37834095607803 15.999 > 13 31 O 0.34602451304457 0.55386489071912 0.87834095607803 15.999 > 13 32 O 0.84602451304457 0.55386489071912 0.87834095607803 15.999 > 13 33 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 33 34 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 33 35 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 33 36 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 33 37 Ag 0.37500000000000 0.75000000000000 0.00000000000000 107.868 > 37 38 Ag 0.87500000000000 0.75000000000000 0.00000000000000 107.868 > 37 39 Ag 0.37500000000000 0.75000000000000 0.50000000000000 107.868 > 37 40 Ag 0.87500000000000 0.75000000000000 0.50000000000000 107.868 > 37 41 Ag 0.25000000000000 0.00000000000000 0.25000000000000 107.868 > 41 42 Ag 0.75000000000000 0.00000000000000 0.25000000000000 107.868 > 41 43 Ag 0.25000000000000 0.00000000000000 0.75000000000000 107.868 > 41 44 Ag 0.75000000000000 0.00000000000000 0.75000000000000 107.868 > 41 45 Ag 0.37500000000000 0.25000000000000 0.25000000000000 107.868 > 45 46 Ag 0.87500000000000 0.25000000000000 0.25000000000000 107.868 > 45 47 Ag 0.37500000000000 0.25000000000000 0.75000000000000 107.868 > 45 48 Ag 0.87500000000000 0.25000000000000 0.75000000000000 107.868 > 45 49 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 33 50 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 33 51 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 33 52 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 33 53 Ag 0.12500000000000 0.25000000000000 0.00000000000000 107.868 > 37 54 Ag 0.62500000000000 0.25000000000000 0.00000000000000 107.868 > 37 55 Ag 0.12500000000000 0.25000000000000 0.50000000000000 107.868 > 37 56 Ag 0.62500000000000 0.25000000000000 0.50000000000000 107.868 > 37 57 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 41 58 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 41 59 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 41 60 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 41 61 Ag 0.12500000000000 0.75000000000000 0.25000000000000 107.868 > 45 62 Ag 0.62500000000000 0.75000000000000 0.25000000000000 107.868 > 45 63 Ag 0.12500000000000 0.75000000000000 0.75000000000000 107.868 > 45 64 Ag 0.62500000000000 0.75000000000000 0.75000000000000 107.868 > 45 65 Pb 0.25000000000000 0.62672942428164 0.12500000000000 207.200 > 65 66 Pb 0.75000000000000 0.62672942428164 0.12500000000000 207.200 > 65 67 Pb 0.25000000000000 0.62672942428164 0.62500000000000 207.200 > 65 68 Pb 0.75000000000000 0.62672942428164 0.62500000000000 207.200 > 65 69 Pb 0.25000000000000 0.37327057571836 0.37500000000000 207.200 > 69 70 Pb 0.75000000000000 0.37327057571836 0.37500000000000 207.200 > 69 71 Pb 0.25000000000000 0.37327057571836 0.87500000000000 207.200 > 69 72 Pb 0.75000000000000 0.37327057571836 0.87500000000000 207.200 > 69 73 Pb 0.00000000000000 0.12672942428164 0.12500000000000 207.200 > 65 74 Pb 0.50000000000000 0.12672942428164 0.12500000000000 207.200 > 65 75 Pb 0.00000000000000 0.12672942428164 0.62500000000000 207.200 > 65 76 Pb 0.50000000000000 0.12672942428164 0.62500000000000 207.200 > 65 77 Pb 0.00000000000000 0.87327057571836 0.37500000000000 207.200 > 69 78 Pb 0.50000000000000 0.87327057571836 0.37500000000000 207.200 > 69 79 Pb 0.00000000000000 0.87327057571836 0.87500000000000 207.200 > 69 80 Pb 0.50000000000000 0.87327057571836 0.87500000000000 207.200 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.2292540 0.0000000 -0.3121935 0.0000000 8.6303712 0.0000000 -0.3121928 0.0000000 8.1597842 -------------------------- Born effective charges -------------------------- 1 O -2.3436607 0.6983436 0.0751917 0.6061550 -2.3596342 -0.1105273 0.0300861 -0.1931669 -2.5737840 2 O -2.3436607 0.6983436 0.0751917 0.6061550 -2.3596342 -0.1105273 0.0300861 -0.1931669 -2.5737840 3 O -2.3436607 -0.6983436 0.0751917 -0.6061550 -2.3596342 0.1105273 0.0300861 0.1931669 -2.5737840 4 O -2.3436607 -0.6983436 0.0751917 -0.6061550 -2.3596342 0.1105273 0.0300861 0.1931669 -2.5737840 5 Ag 1.4334448 -0.3328588 0.5197528 -0.3735730 0.4474004 -0.1137281 0.6016954 -0.2264170 0.9339098 6 Ag 0.4297769 -0.1582905 -0.0915969 -0.2060534 1.5018321 0.5304765 -0.1647100 0.4806834 0.6968872 7 Ag 1.4334448 0.3328588 0.5197528 0.3735730 0.4474004 0.1137281 0.6016954 0.2264170 0.9339098 8 Ag 0.4297769 0.1582905 -0.0915969 0.2060534 1.5018321 -0.5304765 -0.1647100 -0.4806834 0.6968872 9 Pb 2.8240997 -0.0000000 -0.5785393 0.0000000 2.7700359 0.0000000 -0.4971576 0.0000000 3.5167711 10 Pb 2.8240997 -0.0000000 -0.5785393 0.0000000 2.7700359 0.0000000 -0.4971576 0.0000000 3.5167711 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 11 ] 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: 0.75, Number of G-points: 297, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/306) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.164 ( 0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 4.587 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 9.137 ( 0.000 0.000 0.000) 0.000 9.215 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 11.611 ( 0.000 0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 13.125 ( 0.000 0.000 0.000) 0.000 13.682 ( 0.000 0.000 0.000) 0.000 14.162 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.375 ( 0.000 0.000 0.000) 0.000 14.451 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/306) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.229 ( 7.063 -6.963 6.379) 11.792 0.259 ( 7.561 -12.269 2.446) 14.618 0.639 ( 25.281 -8.384 23.000) 35.191 1.199 ( 2.734 -2.965 -0.255) 4.042 1.558 ( 0.288 -1.657 -1.750) 2.427 1.755 ( -1.742 0.979 1.466) 2.478 1.900 ( -1.026 -0.234 -0.373) 1.116 2.180 ( -0.905 0.658 1.182) 1.627 2.190 ( -0.042 0.363 -0.405) 0.545 2.425 ( -0.256 0.617 -0.497) 0.833 2.515 ( -0.338 0.524 -1.292) 1.435 2.642 ( 1.839 -0.040 0.474) 1.899 2.972 ( -1.940 0.134 -2.399) 3.088 3.051 ( -8.823 0.280 0.320) 8.834 3.335 ( 5.453 5.852 -3.693) 8.810 3.479 ( 1.632 -5.855 -1.687) 6.308 4.576 ( -2.675 3.200 2.397) 4.810 4.961 ( -5.953 10.233 19.565) 22.869 8.788 ( -0.427 4.331 1.069) 4.481 8.928 ( -2.002 -5.329 -14.581) 15.652 9.460 ( 0.963 -1.787 24.269) 24.354 11.583 ( -14.007 -20.926 -11.475) 27.673 11.630 ( -0.555 -2.402 -0.581) 2.532 11.683 ( 6.861 -4.721 -2.589) 8.721 13.009 ( -3.781 5.111 -9.531) 11.457 13.754 ( 2.938 -3.846 -1.879) 5.192 14.048 ( -3.535 3.448 -9.409) 10.626 14.398 ( -0.452 -4.200 -1.179) 4.386 14.445 ( 6.214 8.260 11.066) 15.143 15.763 ( 8.861 13.902 11.976) 20.377 ======================= Grid point 2 (3/306) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 7.090 -6.522 5.779) 11.234 0.504 ( 6.920 -11.302 2.147) 13.426 1.195 ( 12.090 -6.330 13.005) 18.852 1.287 ( 10.995 -3.971 5.365) 12.863 1.587 ( 2.231 -4.381 -1.324) 5.091 1.736 ( -2.661 0.798 2.544) 3.767 1.878 ( -1.625 -0.125 -1.236) 2.046 2.160 ( 0.032 1.384 -1.481) 2.027 2.189 ( 0.210 0.162 0.457) 0.529 2.398 ( -0.796 1.785 -1.141) 2.263 2.488 ( -1.991 -0.100 -0.436) 2.041 2.680 ( 3.407 0.436 1.120) 3.612 2.863 ( -9.473 -0.121 -3.503) 10.101 2.990 ( -1.439 2.285 1.180) 2.947 3.262 ( 1.020 4.291 -5.621) 7.145 3.560 ( 4.674 -6.487 -4.503) 9.176 4.495 ( -5.751 8.873 4.970) 11.683 4.983 ( -0.941 3.048 8.315) 8.906 8.578 ( -4.912 3.001 -16.438) 17.416 9.049 ( 6.010 -4.739 9.892) 12.507 9.729 ( 0.616 -3.386 21.647) 21.919 11.527 ( -7.457 -10.069 -11.517) 17.018 11.633 ( -0.169 -1.866 -3.157) 3.672 11.836 ( 11.586 -3.682 1.411) 12.239 12.797 ( -3.101 4.886 -10.810) 12.262 13.754 ( -2.148 0.441 -7.335) 7.656 13.907 ( -1.861 -3.782 -7.753) 8.825 14.388 ( -4.210 -4.770 -5.787) 8.601 14.552 ( 6.121 7.130 12.759) 15.846 15.844 ( 6.393 7.713 10.956) 14.846 ======================= Grid point 3 (4/306) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 6.937 -5.637 4.591) 10.048 0.719 ( 5.476 -9.630 1.935) 11.246 1.242 ( -1.325 0.449 -1.609) 2.132 1.618 ( 5.438 -2.248 1.199) 6.005 1.709 ( 3.300 -5.844 4.591) 8.132 1.783 ( 6.585 -4.297 9.584) 12.397 1.847 ( -0.847 -0.561 -1.539) 1.844 2.126 ( 0.310 1.523 -2.035) 2.561 2.202 ( 1.287 -0.065 1.010) 1.638 2.345 ( -1.586 2.739 -1.056) 3.337 2.467 ( -2.954 -1.568 0.265) 3.355 2.683 ( -4.743 1.307 -1.805) 5.240 2.767 ( 1.949 3.331 1.239) 4.053 2.966 ( 0.070 1.703 0.490) 1.773 3.163 ( -0.891 2.276 -6.114) 6.584 3.645 ( 4.640 -8.733 -6.545) 11.859 4.342 ( -7.928 12.481 5.511) 15.780 5.028 ( 0.762 0.615 4.758) 4.858 8.341 ( -3.963 2.146 -13.879) 14.593 9.297 ( 6.773 -3.651 13.261) 15.332 9.985 ( 0.788 -4.602 18.728) 19.301 11.397 ( -6.089 -3.355 -14.392) 15.983 11.610 ( -0.601 -1.549 -4.068) 4.394 12.045 ( 12.317 -4.036 2.348) 13.173 12.638 ( -0.517 3.288 -6.849) 7.615 13.603 ( -4.416 -1.125 -11.541) 12.408 13.901 ( -0.375 -2.455 -1.785) 3.058 14.307 ( -5.455 -3.122 -7.321) 9.649 14.659 ( 4.593 5.583 10.267) 12.557 15.938 ( 4.642 4.546 8.570) 10.755 ======================= Grid point 4 (5/306) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 5.492 -3.597 2.635) 7.074 0.886 ( 3.140 -6.988 1.725) 7.853 1.183 ( -2.244 2.375 -1.743) 3.704 1.632 ( -1.137 0.145 0.101) 1.151 1.753 ( -1.181 -0.163 -0.964) 1.533 1.893 ( 4.324 -4.974 0.148) 6.592 2.006 ( 2.108 -2.105 4.363) 5.283 2.107 ( 1.342 0.005 -0.742) 1.534 2.262 ( 4.043 -1.453 3.240) 5.381 2.284 ( -1.925 2.647 -0.369) 3.294 2.459 ( -3.468 -2.723 0.459) 4.433 2.600 ( -5.533 -1.685 1.268) 5.922 2.752 ( 5.910 9.887 -1.388) 11.602 2.971 ( 0.912 -0.478 0.474) 1.134 3.081 ( -1.103 0.652 -3.928) 4.132 3.753 ( 5.043 -11.621 -6.389) 14.189 4.145 ( -8.201 13.667 5.160) 16.753 5.072 ( 0.768 0.011 2.462) 2.579 8.173 ( -2.232 1.267 -7.841) 8.250 9.517 ( 4.486 -1.966 9.362) 10.566 10.219 ( 1.431 -4.132 14.050) 14.715 11.200 ( -4.799 0.387 -13.404) 14.243 11.582 ( -0.570 -0.999 -2.898) 3.117 12.233 ( 8.342 -3.075 1.205) 8.972 12.566 ( 0.757 2.222 -2.103) 3.152 13.482 ( -2.880 -2.505 -7.789) 8.675 13.898 ( -0.852 0.478 0.365) 1.043 14.213 ( -3.582 -1.871 -5.459) 6.792 14.729 ( 2.319 3.120 5.559) 6.783 16.008 ( 2.447 2.113 4.617) 5.636 ======================= Grid point 5 (6/306) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -0.000 -0.000 0.000) 0.000 0.967 ( 0.000 -0.000 0.000) 0.000 1.132 ( 0.000 -0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 -0.000 0.000) 0.000 1.973 ( -0.000 0.000 0.000) 0.000 2.019 ( 0.000 -0.000 0.000) 0.000 2.118 ( 0.000 -0.000 0.000) 0.000 2.249 ( 0.000 -0.000 0.000) 0.000 2.322 ( 0.000 -0.000 0.000) 0.000 2.456 ( 0.000 -0.000 0.000) 0.000 2.644 ( 0.000 0.000 -0.000) 0.000 2.662 ( -0.000 -0.000 0.000) 0.000 2.986 ( 0.000 -0.000 0.000) 0.000 3.051 ( 0.000 -0.000 0.000) 0.000 3.870 ( 0.000 -0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 -0.000 0.000) 0.000 8.112 ( 0.000 -0.000 0.000) 0.000 9.605 ( 0.000 -0.000 0.000) 0.000 10.339 ( 0.000 -0.000 0.000) 0.000 11.083 ( 0.000 -0.000 0.000) 0.000 11.569 ( 0.000 -0.000 0.000) 0.000 12.308 ( 0.000 -0.000 0.000) 0.000 12.549 ( 0.000 -0.000 0.000) 0.000 13.442 ( 0.000 -0.000 0.000) 0.000 13.888 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 -0.000 0.000) 0.000 14.752 ( 0.000 0.000 0.000) 0.000 16.034 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/306) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 9.440 0.000 5.516) 10.934 0.368 ( 9.129 0.000 7.620) 11.891 1.111 ( 19.324 0.000 18.778) 26.945 1.247 ( 9.765 0.000 2.442) 10.065 1.532 ( 0.601 0.000 -1.969) 2.058 1.741 ( -3.616 -0.000 1.892) 4.081 1.876 ( -1.646 -0.000 -0.948) 1.900 2.183 ( -0.025 -0.000 -1.207) 1.207 2.184 ( -0.232 -0.000 0.117) 0.260 2.418 ( -0.664 -0.000 -0.715) 0.975 2.486 ( -2.010 -0.000 -2.026) 2.854 2.687 ( 4.167 0.000 2.250) 4.736 2.858 ( -8.839 -0.000 -3.959) 9.685 3.016 ( -1.751 -0.000 1.230) 2.140 3.349 ( -6.272 -0.000 -1.981) 6.577 3.450 ( 9.848 0.000 -7.776) 12.548 4.619 ( -2.859 -0.000 6.262) 6.883 5.032 ( -10.790 -0.000 9.348) 14.276 8.613 ( -4.020 -0.000 -21.586) 21.957 8.993 ( 5.887 0.000 15.033) 16.145 9.688 ( -2.045 -0.000 24.292) 24.377 11.351 ( 2.222 0.000 -6.836) 7.188 11.605 ( 2.851 0.000 -4.987) 5.744 11.793 ( 11.222 0.000 3.770) 11.839 12.851 ( -3.770 -0.000 -15.041) 15.507 13.741 ( 0.547 0.000 -3.115) 3.163 13.895 ( -4.943 -0.000 -12.407) 13.355 14.310 ( -3.399 -0.000 -4.084) 5.313 14.668 ( 4.132 0.000 12.563) 13.225 15.970 ( 1.358 0.000 7.153) 7.281 ======================= Grid point 13 (8/306) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 9.022 -5.166 4.685) 11.403 0.562 ( 8.545 -2.514 6.900) 11.267 1.267 ( 4.300 1.309 0.614) 4.536 1.552 ( 4.419 -3.007 0.182) 5.348 1.585 ( 13.272 -2.772 13.002) 18.785 1.723 ( -2.589 -1.357 2.657) 3.950 1.843 ( -1.691 -0.007 -1.547) 2.292 2.158 ( 0.093 1.149 -2.087) 2.384 2.188 ( 0.450 -0.864 -0.634) 1.163 2.391 ( -1.397 1.237 -1.041) 2.137 2.437 ( -3.272 -0.889 -1.920) 3.896 2.717 ( -7.286 1.117 -2.170) 7.684 2.797 ( 7.393 0.167 4.831) 8.833 3.006 ( -0.777 1.120 0.803) 1.582 3.224 ( -6.647 2.262 -3.534) 7.860 3.488 ( 7.141 -4.244 -10.159) 13.123 4.600 ( -5.180 8.002 7.448) 12.098 5.004 ( -6.157 -2.058 4.231) 7.749 8.370 ( -1.636 0.520 -19.224) 19.300 9.251 ( 7.197 -0.664 18.970) 20.300 9.899 ( -3.029 -2.248 21.391) 21.721 11.302 ( -0.331 -3.158 -11.428) 11.861 11.592 ( 3.823 -0.395 -6.257) 7.343 11.989 ( 13.712 -1.071 3.914) 14.300 12.685 ( 0.249 0.831 -11.048) 11.082 13.583 ( -6.313 -0.575 -15.811) 17.034 13.847 ( 1.942 -1.443 -0.287) 2.437 14.227 ( -4.925 -2.495 -6.179) 8.286 14.805 ( 3.246 4.806 11.724) 13.080 16.029 ( 0.353 2.538 6.616) 7.095 ======================= Grid point 14 (9/306) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 8.500 -5.012 4.155) 10.706 0.749 ( 6.780 -2.925 5.578) 9.254 1.267 ( 2.071 4.605 -0.249) 5.055 1.631 ( 0.815 -1.201 0.862) 1.688 1.706 ( 1.693 -3.296 1.319) 3.934 1.812 ( -0.423 -1.174 -0.964) 1.577 1.912 ( 6.447 -5.255 7.774) 11.385 2.122 ( 0.403 1.087 -2.600) 2.846 2.208 ( 0.815 -2.487 -0.002) 2.617 2.334 ( -3.089 1.584 -1.587) 3.817 2.400 ( -3.143 -1.597 -1.044) 3.677 2.607 ( -6.583 1.112 -0.471) 6.693 2.940 ( 8.579 5.509 4.821) 11.278 2.979 ( -0.490 1.065 0.056) 1.174 3.100 ( -3.673 1.041 -3.275) 5.030 3.525 ( 5.841 -7.574 -9.645) 13.583 4.467 ( -7.341 13.238 6.273) 16.386 5.019 ( -4.039 -4.451 2.137) 6.379 8.190 ( 0.848 0.274 -14.471) 14.498 9.514 ( 5.416 1.257 17.309) 18.180 10.103 ( -2.548 -4.996 17.605) 18.477 11.183 ( -2.379 -1.312 -13.077) 13.357 11.578 ( 4.537 0.359 -5.884) 7.438 12.185 ( 11.538 -1.091 1.879) 11.741 12.626 ( 4.556 2.566 -3.745) 6.431 13.401 ( -3.237 -4.039 -12.782) 13.790 13.886 ( 0.961 -1.191 0.735) 1.698 14.135 ( -4.381 -3.441 -7.304) 9.187 14.865 ( 1.056 6.885 8.798) 11.221 16.054 ( -1.560 1.456 4.168) 4.683 ======================= Grid point 15 (10/306) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 2.811 -1.053 3.799) 4.842 0.918 ( 7.753 -2.960 3.591) 9.043 1.219 ( 0.985 6.136 0.117) 6.216 1.633 ( 0.439 0.913 0.195) 1.031 1.739 ( -0.127 0.016 -0.082) 0.152 1.891 ( 5.124 -5.422 0.551) 7.481 2.031 ( 0.149 -0.334 1.600) 1.641 2.107 ( 1.161 -0.677 -1.388) 1.932 2.259 ( -3.828 0.416 -2.492) 4.587 2.282 ( 1.059 -5.437 2.350) 6.018 2.382 ( -3.191 -3.340 0.234) 4.626 2.533 ( -5.381 0.365 1.397) 5.571 2.841 ( -4.156 4.593 -5.383) 8.206 3.038 ( 0.456 0.185 2.458) 2.507 3.064 ( 5.751 5.686 -1.074) 8.158 3.640 ( 8.591 -10.425 -4.713) 14.307 4.269 ( -7.902 14.391 4.787) 17.101 5.037 ( -4.158 -4.457 0.115) 6.096 8.104 ( 3.376 -0.637 -7.739) 8.468 9.654 ( 0.403 3.944 8.858) 9.704 10.278 ( -2.451 -4.788 8.450) 10.017 11.073 ( -0.039 -0.782 -4.615) 4.681 11.581 ( 5.468 0.783 -3.494) 6.536 12.302 ( 5.383 -0.284 0.076) 5.391 12.612 ( 3.255 5.265 -0.987) 6.268 13.373 ( 3.399 -5.708 -4.241) 7.882 13.892 ( -1.535 0.151 -0.326) 1.577 14.095 ( 0.180 -5.533 -4.607) 7.202 14.848 ( -1.628 7.091 4.919) 8.782 16.037 ( -3.864 0.080 0.439) 3.889 ======================= Grid point 16 (11/306) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -2.337 2.652 0.968) 3.665 1.026 ( 3.910 3.532 1.602) 5.507 1.178 ( 2.590 3.252 1.817) 4.538 1.638 ( 2.110 0.866 -0.199) 2.289 1.749 ( 1.464 -0.173 0.943) 1.750 1.976 ( 0.028 0.610 -0.208) 0.645 2.019 ( -0.007 0.283 -0.195) 0.344 2.111 ( -0.521 -0.174 -0.702) 0.891 2.206 ( -1.781 -3.094 -3.838) 5.241 2.293 ( -4.658 1.003 -0.851) 4.840 2.466 ( 1.608 -8.161 2.703) 8.746 2.502 ( -4.442 -2.708 0.803) 5.264 2.704 ( -1.379 3.414 -3.391) 5.006 3.016 ( 0.827 2.712 -3.779) 4.725 3.077 ( 1.195 1.495 4.316) 4.721 3.847 ( 11.035 -10.135 -1.931) 15.106 4.061 ( -7.467 13.079 3.704) 15.509 5.023 ( -5.007 -4.094 -2.276) 6.856 8.132 ( 5.617 -2.108 -0.255) 6.005 9.609 ( -4.348 5.780 -1.116) 7.319 10.269 ( -4.199 0.061 -7.190) 8.327 11.161 ( 4.837 -2.679 11.247) 12.532 11.618 ( 6.304 1.521 -0.433) 6.499 12.311 ( -2.196 3.001 0.256) 3.728 12.563 ( 0.399 3.327 -0.984) 3.492 13.491 ( 7.049 -2.395 3.520) 8.235 13.874 ( 0.076 -1.105 -0.663) 1.291 14.167 ( 3.858 -5.728 0.149) 6.907 14.766 ( -4.183 5.905 0.649) 7.265 15.968 ( -6.208 -1.324 -3.971) 7.487 ======================= Grid point 17 (12/306) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -5.070 6.054 -1.514) 8.040 0.948 ( -2.155 9.747 -0.603) 10.001 1.244 ( 4.839 0.420 3.228) 5.832 1.649 ( 1.410 1.068 -0.390) 1.811 1.783 ( 1.536 0.511 0.437) 1.676 1.900 ( -3.550 4.269 -0.005) 5.552 1.916 ( -9.501 5.795 -9.851) 14.862 2.091 ( -1.246 -1.519 1.141) 2.272 2.183 ( -1.536 -1.909 -2.553) 3.539 2.272 ( 1.037 -3.067 0.384) 3.260 2.484 ( -0.548 -0.821 -1.733) 1.995 2.625 ( 3.312 -8.134 2.762) 9.207 2.682 ( 2.056 1.042 1.636) 2.827 2.957 ( -0.410 1.034 -2.918) 3.123 3.131 ( -0.066 -0.380 6.181) 6.194 3.873 ( -6.861 10.348 2.756) 12.718 4.073 ( 10.987 -9.667 -1.944) 14.762 4.973 ( -5.697 -4.037 -4.416) 8.261 8.271 ( 7.019 -3.680 5.963) 9.918 9.424 ( -6.711 7.113 -6.337) 11.653 10.085 ( -4.049 3.606 -14.000) 15.014 11.404 ( 6.554 -2.448 15.452) 16.962 11.673 ( 6.382 2.913 1.099) 7.101 12.185 ( -7.869 7.871 0.398) 11.137 12.561 ( 0.290 -2.125 1.372) 2.546 13.626 ( 5.220 0.439 6.704) 8.508 13.922 ( 4.118 -0.892 2.639) 4.972 14.303 ( 5.621 -4.498 3.069) 7.826 14.632 ( -6.363 3.991 -3.344) 8.222 15.846 ( -8.286 -3.076 -8.495) 12.259 ======================= Grid point 18 (13/306) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -5.399 8.235 -2.673) 10.204 0.768 ( -5.747 10.958 -1.711) 12.491 1.305 ( 3.160 2.851 1.266) 4.440 1.476 ( -15.577 11.052 -11.226) 22.154 1.684 ( 0.450 1.615 -3.432) 3.820 1.743 ( -2.611 3.776 -0.989) 4.696 1.879 ( 1.274 0.092 1.445) 1.929 2.121 ( -0.314 -1.907 1.823) 2.657 2.174 ( -0.099 -1.125 -1.431) 1.822 2.337 ( 1.360 -3.378 1.167) 3.824 2.478 ( 0.202 -1.331 -1.557) 2.058 2.676 ( -1.962 -0.052 1.066) 2.234 2.822 ( 10.530 -4.745 1.620) 11.663 2.937 ( -0.268 -1.029 -0.453) 1.156 3.199 ( -1.776 -0.926 7.310) 7.580 3.716 ( -6.305 6.758 0.868) 9.283 4.282 ( 9.621 -8.503 -1.522) 12.930 4.900 ( -5.880 -4.339 -6.265) 9.625 8.482 ( 6.930 -5.083 8.447) 12.050 9.201 ( -6.043 8.019 -3.739) 10.715 9.831 ( -3.617 5.160 -17.123) 18.246 11.639 ( 6.371 -0.694 10.276) 12.111 11.711 ( 4.593 3.975 2.831) 6.701 11.994 ( -6.756 10.809 1.863) 12.882 12.646 ( 0.742 -7.016 3.981) 8.101 13.740 ( 3.158 -0.254 6.538) 7.265 14.023 ( 6.168 3.707 7.963) 10.733 14.410 ( -0.622 -3.356 -5.905) 6.820 14.492 ( -2.722 2.824 2.127) 4.462 15.687 ( -9.383 -5.438 -11.882) 16.087 ======================= Grid point 19 (14/306) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -4.720 9.733 -2.805) 11.175 0.530 ( -9.136 10.545 -3.675) 14.429 0.975 ( -12.742 18.044 -12.812) 25.536 1.313 ( 0.510 5.907 0.852) 5.990 1.630 ( -1.850 4.214 1.976) 5.009 1.709 ( 0.820 -2.030 -3.154) 3.839 1.905 ( 0.929 0.102 0.792) 1.225 2.155 ( -0.230 -1.531 1.291) 2.016 2.174 ( 0.209 -0.975 -0.986) 1.402 2.392 ( 0.501 -2.217 0.831) 2.420 2.490 ( 0.488 -1.879 -0.563) 2.021 2.653 ( -1.336 0.984 -0.112) 1.663 2.952 ( -0.207 -2.446 -0.081) 2.456 3.017 ( 12.186 -3.141 0.947) 12.619 3.236 ( -6.393 -1.019 6.038) 8.853 3.594 ( -3.684 4.014 -0.511) 5.472 4.459 ( 6.958 -6.155 0.372) 9.297 4.813 ( -5.357 -4.607 -8.202) 10.826 8.675 ( 3.462 -5.435 2.722) 6.995 9.079 ( -1.148 7.281 8.887) 11.546 9.546 ( -3.479 5.601 -18.802) 19.925 11.670 ( 1.495 2.291 -3.151) 4.173 11.796 ( -5.747 4.057 6.329) 9.463 11.894 ( 11.097 9.162 8.382) 16.653 12.808 ( 1.410 -10.662 3.970) 11.465 13.818 ( 0.457 1.088 3.777) 3.957 14.120 ( 5.095 8.332 10.577) 14.397 14.292 ( -4.410 -4.769 -8.936) 11.047 14.499 ( -1.518 3.267 0.742) 3.679 15.540 ( -7.803 -7.189 -10.733) 15.092 ======================= Grid point 20 (15/306) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( -0.000 10.525 0.000) 10.525 0.295 ( -0.000 12.316 0.000) 12.316 0.569 ( -0.000 23.977 0.000) 23.977 1.242 ( -0.000 6.164 0.000) 6.164 1.593 ( -0.000 2.790 0.000) 2.790 1.726 ( 0.000 -2.777 -0.000) 2.777 1.912 ( -0.000 0.361 0.000) 0.361 2.171 ( 0.000 -0.590 -0.000) 0.590 2.184 ( 0.000 -1.044 -0.000) 1.044 2.418 ( 0.000 -1.336 -0.000) 1.336 2.511 ( 0.000 -1.240 -0.000) 1.240 2.632 ( -0.000 0.697 0.000) 0.697 2.974 ( 0.000 -1.462 -0.000) 1.462 3.158 ( -0.000 3.135 0.000) 3.135 3.215 ( 0.000 -7.959 -0.000) 7.959 3.530 ( -0.000 3.764 0.000) 3.764 4.579 ( 0.000 -4.134 -0.000) 4.134 4.747 ( 0.000 -2.448 -0.000) 2.448 8.734 ( 0.000 -2.551 -0.000) 2.551 9.155 ( -0.000 1.671 0.000) 1.671 9.291 ( -0.000 6.426 0.000) 6.426 11.633 ( -0.000 1.759 0.000) 1.759 11.709 ( -0.000 6.670 0.000) 6.670 12.026 ( 0.000 -0.284 -0.000) 0.284 12.970 ( 0.000 -10.987 -0.000) 10.987 13.779 ( -0.000 5.763 0.000) 5.763 14.163 ( 0.000 -0.045 -0.000) 0.045 14.257 ( -0.000 3.746 0.000) 3.746 14.411 ( -0.000 2.306 0.000) 2.306 15.492 ( 0.000 -4.721 -0.000) 4.721 ======================= Grid point 23 (16/306) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 10.827 0.000 5.063) 11.952 0.715 ( 7.452 0.000 7.127) 10.312 1.349 ( 5.742 0.000 0.324) 5.751 1.567 ( 2.173 0.000 2.941) 3.656 1.695 ( -1.606 -0.000 1.076) 1.933 1.797 ( 0.081 0.000 2.070) 2.071 1.835 ( 6.740 0.000 4.201) 7.942 2.143 ( 0.171 0.000 -2.795) 2.800 2.171 ( -0.038 -0.000 -1.726) 1.727 2.358 ( -4.170 -0.000 -3.288) 5.310 2.378 ( -1.605 -0.000 -0.072) 1.606 2.623 ( -6.723 -0.000 -0.380) 6.734 2.982 ( 7.601 0.000 5.293) 9.263 3.014 ( -0.430 -0.000 0.708) 0.828 3.121 ( -4.845 -0.000 1.266) 5.007 3.429 ( 7.293 0.000 -13.714) 15.532 4.672 ( -5.890 -0.000 7.938) 9.885 4.921 ( -7.452 -0.000 0.592) 7.476 8.192 ( 2.021 0.000 -16.836) 16.957 9.538 ( 6.853 0.000 20.520) 21.634 10.035 ( -5.404 -0.000 18.777) 19.539 11.164 ( -0.380 -0.000 -12.873) 12.878 11.584 ( 6.103 0.000 -6.979) 9.271 12.174 ( 12.488 0.000 1.802) 12.617 12.663 ( 8.397 0.000 -2.991) 8.914 13.340 ( -5.358 -0.000 -15.943) 16.820 13.868 ( 1.754 0.000 0.848) 1.948 14.092 ( -4.862 -0.000 -6.836) 8.389 14.961 ( 0.673 0.000 9.114) 9.139 16.070 ( -3.611 -0.000 3.661) 5.142 ======================= Grid point 24 (17/306) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 8.029 -0.899 5.618) 9.841 0.863 ( 7.620 -1.223 5.331) 9.379 1.373 ( 3.941 5.965 0.640) 7.178 1.650 ( 0.942 -0.827 4.221) 4.403 1.716 ( 3.483 -1.522 0.831) 3.890 1.789 ( 0.845 -1.708 -0.859) 2.091 1.967 ( 2.921 -3.836 3.613) 6.025 2.109 ( 0.367 0.828 -3.128) 3.257 2.157 ( -2.209 -2.835 -1.893) 4.063 2.273 ( -3.224 0.325 -3.919) 5.085 2.360 ( -2.453 -0.171 0.409) 2.492 2.558 ( -4.778 0.865 2.011) 5.256 2.894 ( -11.019 0.937 -3.297) 11.540 3.021 ( -0.690 -0.682 0.642) 1.163 3.241 ( 11.424 7.733 1.674) 13.897 3.431 ( 9.000 -7.740 -6.208) 13.396 4.581 ( -8.113 11.383 5.066) 14.868 4.890 ( -6.971 -7.606 -0.291) 10.321 8.090 ( 5.298 -0.396 -12.203) 13.309 9.757 ( 2.459 3.745 13.632) 14.349 10.159 ( -5.703 -4.096 14.046) 15.703 11.055 ( 0.548 -0.546 -7.369) 7.410 11.593 ( 7.308 0.198 -6.270) 9.631 12.298 ( 7.818 -0.086 -0.288) 7.824 12.772 ( 12.058 6.981 2.252) 14.114 13.203 ( 0.399 -7.301 -9.481) 11.973 13.891 ( 0.085 -0.159 0.283) 0.336 13.988 ( -2.487 -2.701 -6.698) 7.638 15.002 ( -1.937 4.463 5.944) 7.681 16.033 ( -6.588 -0.338 0.714) 6.635 ======================= Grid point 25 (18/306) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 1.053 1.088 3.249) 3.585 1.039 ( 8.742 -0.889 4.568) 9.904 1.332 ( 1.791 8.139 1.098) 8.406 1.682 ( 3.110 2.886 1.721) 4.579 1.751 ( 1.520 0.363 0.452) 1.627 1.896 ( 5.344 -5.949 1.188) 8.085 2.040 ( -0.175 0.105 0.505) 0.544 2.091 ( 1.352 -1.878 -2.533) 3.431 2.130 ( -7.002 -4.459 -2.424) 8.647 2.241 ( 0.903 -4.457 -0.914) 4.638 2.321 ( -4.982 0.165 -0.231) 4.990 2.531 ( -2.225 2.219 3.546) 4.738 2.732 ( -9.218 -0.482 -2.522) 9.569 3.025 ( -0.664 -0.636 -0.308) 0.969 3.197 ( 5.706 6.233 -7.423) 11.248 3.654 ( 12.542 -6.129 2.989) 14.276 4.372 ( -8.807 13.070 2.673) 15.986 4.887 ( -7.688 -7.566 -1.775) 10.932 8.086 ( 7.807 -1.674 -6.221) 10.121 9.763 ( -3.624 6.755 2.420) 8.039 10.230 ( -6.089 -2.998 2.975) 7.410 11.096 ( 4.432 -2.476 7.240) 8.843 11.631 ( 8.035 -0.344 -4.146) 9.048 12.355 ( 2.789 1.072 0.341) 3.007 12.748 ( 4.437 11.948 -1.311) 12.812 13.354 ( 10.779 -9.552 1.435) 14.474 13.862 ( -1.166 0.172 -1.817) 2.166 14.004 ( 2.380 -6.840 -2.596) 7.693 14.938 ( -4.547 7.310 2.846) 9.067 15.941 ( -8.939 -1.142 -2.737) 9.418 ======================= Grid point 26 (19/306) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -2.538 4.217 0.608) 4.960 1.139 ( 3.073 5.034 1.438) 6.071 1.274 ( 1.516 3.721 1.879) 4.436 1.699 ( 4.178 3.518 0.456) 5.480 1.781 ( 2.414 -0.131 0.910) 2.583 1.974 ( -1.501 1.773 -2.955) 3.759 2.021 ( 0.297 0.242 -0.454) 0.594 2.047 ( -7.612 -1.172 -1.839) 7.918 2.112 ( 1.768 -2.964 -1.997) 3.987 2.238 ( -4.161 0.277 -1.026) 4.294 2.362 ( -0.040 -9.434 2.586) 9.782 2.507 ( -1.813 -0.765 0.400) 2.008 2.693 ( 0.022 -0.694 3.123) 3.199 2.991 ( -0.020 1.081 -5.338) 5.446 3.155 ( 3.224 2.410 0.315) 4.037 3.878 ( 9.717 -5.067 0.872) 10.994 4.151 ( -6.995 11.402 1.948) 13.518 4.847 ( -8.495 -6.771 -3.749) 11.492 8.183 ( 9.067 -3.588 -0.477) 9.763 9.603 ( -6.305 7.719 -4.039) 10.754 10.146 ( -6.065 1.775 -5.519) 8.390 11.320 ( 6.118 -4.170 14.570) 16.344 11.699 ( 7.347 -0.752 -2.123) 7.684 12.344 ( -1.519 3.883 1.974) 4.614 12.634 ( 1.539 10.114 -1.410) 10.327 13.596 ( 9.932 -3.841 3.913) 11.345 13.880 ( 3.794 -1.968 2.081) 4.754 14.124 ( 4.352 -9.587 -0.926) 10.569 14.795 ( -6.622 8.462 0.487) 10.756 15.796 ( -10.630 -1.517 -6.539) 12.572 ======================= Grid point 27 (20/306) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -3.779 7.152 -0.868) 8.136 1.004 ( -6.423 9.353 -3.111) 11.765 1.334 ( 4.180 -0.372 2.611) 4.942 1.696 ( 0.720 5.476 0.614) 5.558 1.749 ( -3.987 6.212 -11.159) 13.380 1.838 ( -3.340 2.987 2.633) 5.198 1.909 ( -2.508 3.364 -0.008) 4.196 2.074 ( -0.217 -2.183 1.550) 2.686 2.139 ( 0.868 -1.788 -2.154) 2.931 2.248 ( 1.503 -3.991 0.355) 4.280 2.421 ( -2.309 -3.497 -1.139) 4.342 2.592 ( -0.046 -8.117 4.768) 9.413 2.749 ( 4.857 0.125 -0.417) 4.877 2.934 ( 0.955 0.299 -3.101) 3.258 3.208 ( 2.888 1.205 6.272) 7.009 3.862 ( -8.169 5.511 -3.000) 10.301 4.145 ( 9.647 -2.408 2.520) 10.257 4.777 ( -8.718 -6.274 -4.945) 11.825 8.355 ( 8.434 -5.514 2.918) 10.490 9.395 ( -5.797 8.146 -3.373) 10.551 9.958 ( -5.273 5.668 -9.579) 12.316 11.579 ( 6.078 -3.948 12.088) 14.094 11.753 ( 3.069 -0.040 -1.286) 3.328 12.284 ( -0.109 10.661 5.244) 11.882 12.547 ( -0.515 1.722 -1.807) 2.549 13.737 ( 5.075 -0.291 4.225) 6.610 14.030 ( 8.851 -2.301 5.492) 10.668 14.282 ( 3.372 -9.103 -1.181) 9.779 14.618 ( -6.676 8.035 0.771) 10.475 15.603 ( -11.122 -1.859 -9.884) 14.995 ======================= Grid point 28 (21/306) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -4.171 9.116 -1.755) 10.177 0.758 ( -8.703 9.143 -4.772) 13.495 1.366 ( -0.501 9.974 -2.910) 10.402 1.438 ( -3.341 8.649 -1.165) 9.345 1.686 ( 1.680 2.271 -2.050) 3.490 1.762 ( -2.906 5.570 0.291) 6.290 1.904 ( 0.865 -0.082 0.930) 1.272 2.113 ( -0.362 -2.063 1.870) 2.808 2.144 ( 0.517 -1.570 -1.991) 2.587 2.324 ( 1.595 -3.585 1.095) 4.074 2.424 ( -1.361 -3.692 -1.409) 4.180 2.677 ( -1.355 0.074 2.674) 2.999 2.813 ( 3.112 -7.687 -3.109) 8.857 2.962 ( 3.476 -1.542 1.039) 3.942 3.290 ( 2.574 4.285 7.834) 9.293 3.670 ( -7.631 3.093 -4.134) 9.213 4.326 ( 8.997 -4.756 1.921) 10.357 4.697 ( -7.866 -5.703 -4.994) 10.924 8.536 ( 5.018 -6.416 2.168) 8.429 9.249 ( -2.425 7.034 2.734) 7.927 9.715 ( -3.982 8.687 -10.884) 14.484 11.720 ( 3.721 1.609 -4.290) 5.903 11.790 ( -1.430 -2.774 9.658) 10.150 12.199 ( 3.692 15.818 4.499) 16.855 12.572 ( -0.679 -8.596 0.048) 8.623 13.833 ( 3.523 0.405 4.922) 6.066 14.189 ( 3.584 -3.313 -1.223) 5.032 14.315 ( 1.485 4.001 2.451) 4.921 14.535 ( -2.890 1.209 2.239) 3.851 15.412 ( -8.176 -3.337 -9.481) 12.957 ======================= Grid point 29 (22/306) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -0.000 10.091 0.000) 10.091 0.563 ( -0.000 10.813 0.000) 10.813 1.096 ( -0.000 21.220 0.000) 21.220 1.396 ( -0.000 5.483 0.000) 5.483 1.672 ( 0.000 -0.703 -0.000) 0.703 1.684 ( -0.000 4.935 0.000) 4.935 1.916 ( 0.000 -0.021 -0.000) 0.021 2.145 ( 0.000 -1.623 -0.000) 1.623 2.152 ( 0.000 -1.623 -0.000) 1.623 2.374 ( 0.000 -2.414 -0.000) 2.414 2.454 ( 0.000 -3.705 -0.000) 3.705 2.662 ( -0.000 1.754 0.000) 1.754 2.900 ( 0.000 -6.046 -0.000) 6.046 3.041 ( 0.000 -5.680 -0.000) 5.680 3.275 ( -0.000 7.129 0.000) 7.129 3.583 ( -0.000 0.635 0.000) 0.635 4.464 ( 0.000 -5.154 -0.000) 5.154 4.665 ( 0.000 -4.678 -0.000) 4.678 8.642 ( 0.000 -5.294 -0.000) 5.294 9.216 ( -0.000 3.558 0.000) 3.558 9.495 ( -0.000 10.677 0.000) 10.677 11.684 ( -0.000 2.450 0.000) 2.450 11.844 ( -0.000 1.555 0.000) 1.555 12.101 ( -0.000 9.907 0.000) 9.907 12.696 ( 0.000 -11.722 -0.000) 11.722 13.874 ( -0.000 2.271 0.000) 2.271 14.155 ( 0.000 -0.687 -0.000) 0.687 14.389 ( -0.000 7.159 0.000) 7.159 14.457 ( -0.000 0.476 0.000) 0.476 15.360 ( 0.000 -5.589 -0.000) 5.589 ======================= Grid point 34 (23/306) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 2.615 0.000 3.722) 4.548 1.024 ( 9.300 0.000 5.418) 10.763 1.461 ( 2.473 0.000 0.309) 2.492 1.736 ( 3.374 0.000 8.234) 8.898 1.773 ( 0.715 0.000 -1.214) 1.409 1.777 ( 6.223 0.000 0.969) 6.298 1.977 ( 0.143 0.000 0.061) 0.156 2.074 ( -3.486 -0.000 -2.845) 4.500 2.091 ( 0.606 0.000 -3.076) 3.135 2.209 ( -1.089 -0.000 -3.750) 3.905 2.324 ( -4.379 -0.000 0.206) 4.384 2.566 ( -0.895 -0.000 5.338) 5.413 2.718 ( -13.799 -0.000 -2.694) 14.059 3.015 ( -0.440 -0.000 -0.007) 0.440 3.282 ( 5.763 0.000 -14.722) 15.810 3.577 ( 13.809 0.000 9.065) 16.519 4.609 ( -10.633 -0.000 3.896) 11.324 4.715 ( -7.454 -0.000 -3.313) 8.157 8.065 ( 8.500 0.000 -8.335) 11.905 9.861 ( -2.359 -0.000 0.504) 2.412 10.177 ( -7.672 -0.000 10.747) 13.204 11.064 ( 4.349 0.000 5.039) 6.656 11.622 ( 8.134 0.000 -5.924) 10.063 12.368 ( 4.138 0.000 0.119) 4.139 13.053 ( 0.994 0.000 -6.516) 6.592 13.079 ( 18.094 0.000 6.433) 19.203 13.886 ( 0.056 0.000 -5.548) 5.548 13.897 ( 0.042 0.000 0.033) 0.053 15.034 ( -4.466 -0.000 2.737) 5.238 15.924 ( -10.040 -0.000 -2.006) 10.238 ======================= Grid point 35 (24/306) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.259 1.466 1.450) 2.078 1.168 ( 6.664 -0.344 4.034) 7.798 1.416 ( -3.636 5.518 -1.779) 6.843 1.766 ( 1.722 0.687 0.082) 1.855 1.828 ( 6.304 5.070 2.400) 8.438 1.901 ( 3.578 -4.702 3.861) 7.058 1.986 ( -1.534 -2.621 -2.167) 3.730 2.041 ( 0.311 -1.107 0.462) 1.239 2.074 ( 0.881 -0.758 -2.526) 2.781 2.188 ( 0.291 -3.573 -1.425) 3.858 2.259 ( -6.081 0.756 -0.277) 6.134 2.523 ( -11.024 1.387 -1.126) 11.167 2.657 ( 1.409 -1.760 6.185) 6.583 2.999 ( -0.541 -0.048 -2.996) 3.045 3.210 ( 6.042 1.542 -9.464) 11.334 3.810 ( 11.251 -1.126 6.022) 12.810 4.409 ( -10.891 10.243 0.063) 14.951 4.666 ( -8.975 -8.459 -3.238) 12.751 8.121 ( 9.910 -1.513 -3.901) 10.757 9.744 ( -5.487 3.622 -7.294) 9.820 10.171 ( -7.575 0.446 4.833) 8.996 11.240 ( 5.940 -2.132 13.632) 15.022 11.668 ( 7.679 -1.124 -4.658) 9.051 12.387 ( -0.167 0.733 -0.077) 0.755 12.946 ( 4.539 13.440 -0.604) 14.199 13.424 ( 15.246 -9.911 4.424) 18.715 13.862 ( 2.626 0.739 -0.017) 2.728 13.935 ( 2.047 -5.539 -1.719) 6.150 14.957 ( -6.530 4.290 0.099) 7.814 15.768 ( -11.753 -0.779 -4.448) 12.591 ======================= Grid point 36 (25/306) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -2.045 4.155 0.041) 4.631 1.192 ( -6.929 6.451 -4.261) 10.382 1.305 ( 1.499 -1.474 1.098) 2.372 1.788 ( 4.226 1.931 -1.394) 4.851 1.845 ( 3.556 3.938 1.753) 5.588 1.936 ( -1.705 4.657 -0.555) 4.990 2.005 ( -2.928 0.921 2.277) 3.822 2.022 ( 0.561 0.317 -0.933) 1.134 2.089 ( 2.182 -2.418 -1.719) 3.683 2.184 ( -2.772 -0.780 -1.098) 3.082 2.298 ( 1.064 -7.651 2.975) 8.278 2.421 ( -6.915 -4.767 1.101) 8.471 2.755 ( 3.390 -0.060 2.954) 4.497 2.943 ( 0.370 0.354 -5.798) 5.821 3.231 ( 7.354 0.531 0.759) 7.412 3.952 ( 3.023 2.303 1.149) 3.970 4.193 ( -4.885 5.795 0.369) 7.589 4.613 ( -9.448 -7.683 -4.256) 12.900 8.244 ( 9.054 -3.739 -0.398) 9.804 9.552 ( -5.275 4.999 -6.970) 10.070 10.082 ( -6.275 4.522 -0.391) 7.745 11.483 ( 5.301 -3.750 13.482) 14.964 11.724 ( 5.039 -1.821 -3.186) 6.234 12.361 ( -2.081 -0.004 -0.181) 2.089 12.823 ( 3.649 16.792 0.880) 17.207 13.700 ( 9.987 -4.218 2.940) 11.233 13.958 ( 6.809 -3.838 5.728) 9.691 14.034 ( 3.281 -9.067 -2.415) 9.941 14.803 ( -7.251 6.700 -0.864) 9.910 15.583 ( -11.562 -0.337 -6.564) 13.299 ======================= Grid point 37 (26/306) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -3.373 6.859 -1.139) 7.728 0.945 ( -8.575 6.846 -5.441) 12.247 1.378 ( 2.636 -2.190 1.468) 3.728 1.743 ( 1.268 10.124 -5.630) 11.653 1.802 ( -0.769 8.469 2.374) 8.829 1.874 ( -1.011 2.594 2.704) 3.881 1.920 ( -1.253 2.769 -0.466) 3.075 2.064 ( 0.014 -2.066 1.384) 2.486 2.108 ( 0.749 -1.393 -2.311) 2.800 2.226 ( 2.903 -4.761 0.469) 5.596 2.331 ( -3.781 -4.042 -1.111) 5.645 2.539 ( -0.315 -9.825 6.260) 11.654 2.755 ( 1.059 0.850 -5.614) 5.775 2.933 ( 1.684 -1.030 -0.176) 1.982 3.366 ( 9.715 1.288 6.760) 11.905 3.784 ( -10.769 7.540 -4.994) 14.063 4.248 ( 7.678 -2.207 2.745) 8.448 4.548 ( -8.810 -7.097 -4.102) 12.034 8.391 ( 5.549 -5.727 0.826) 8.017 9.393 ( -2.928 5.207 -2.716) 6.563 9.925 ( -3.905 8.720 -2.990) 10.012 11.692 ( 4.371 -3.914 6.820) 8.996 11.748 ( 0.146 -0.518 -0.805) 0.968 12.367 ( -0.475 -3.746 1.069) 3.925 12.657 ( 1.721 18.031 0.221) 18.115 13.837 ( 5.239 -0.196 3.980) 6.582 14.115 ( 3.016 -3.672 -1.859) 5.102 14.196 ( 4.894 -11.059 3.286) 12.532 14.648 ( -4.713 6.516 0.730) 8.075 15.390 ( -8.420 0.869 -6.663) 10.773 ======================= Grid point 38 (27/306) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.000 8.579 0.000) 8.579 0.788 ( -0.000 8.454 0.000) 8.454 1.430 ( 0.000 -1.824 -0.000) 1.824 1.539 ( -0.000 16.880 0.000) 16.880 1.740 ( -0.000 5.726 0.000) 5.726 1.812 ( -0.000 5.980 0.000) 5.980 1.913 ( 0.000 -0.093 -0.000) 0.093 2.099 ( 0.000 -2.256 -0.000) 2.256 2.114 ( 0.000 -1.564 -0.000) 1.564 2.309 ( 0.000 -3.138 -0.000) 3.138 2.345 ( 0.000 -5.524 -0.000) 5.524 2.697 ( 0.000 -10.176 -0.000) 10.176 2.703 ( -0.000 1.569 0.000) 1.569 2.964 ( 0.000 -1.968 -0.000) 1.968 3.488 ( -0.000 11.110 0.000) 11.110 3.560 ( 0.000 -2.346 -0.000) 2.346 4.365 ( 0.000 -3.110 -0.000) 3.110 4.532 ( 0.000 -6.835 -0.000) 6.835 8.501 ( 0.000 -6.467 -0.000) 6.467 9.312 ( -0.000 4.452 0.000) 4.452 9.758 ( -0.000 11.434 0.000) 11.434 11.732 ( -0.000 1.371 0.000) 1.371 11.800 ( 0.000 -3.657 -0.000) 3.657 12.451 ( -0.000 18.347 0.000) 18.347 12.455 ( 0.000 -8.689 -0.000) 8.689 13.900 ( -0.000 0.330 0.000) 0.330 14.129 ( 0.000 -1.797 -0.000) 1.797 14.372 ( 0.000 -8.258 -0.000) 8.258 14.555 ( -0.000 6.586 0.000) 6.586 15.287 ( 0.000 -0.132 -0.000) 0.132 ======================= Grid point 45 (28/306) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -1.116 -0.000 0.238) 1.141 1.263 ( 4.421 0.000 2.685) 5.172 1.296 ( -12.293 -0.000 -7.530) 14.415 1.803 ( 3.404 0.000 1.808) 3.854 1.920 ( 4.492 0.000 0.216) 4.497 1.953 ( 3.506 0.000 -1.864) 3.971 2.028 ( 0.203 0.000 -1.068) 1.087 2.055 ( 0.747 0.000 -2.096) 2.225 2.074 ( 6.206 0.000 11.422) 12.999 2.144 ( -0.334 -0.000 -1.703) 1.735 2.192 ( -5.880 -0.000 -0.137) 5.882 2.368 ( -12.216 -0.000 -0.913) 12.250 2.752 ( 3.610 0.000 4.513) 5.779 2.947 ( 0.020 0.000 -6.141) 6.141 3.236 ( 8.719 0.000 -2.637) 9.109 3.979 ( 8.785 0.000 4.882) 10.051 4.317 ( -15.262 -0.000 -2.205) 15.421 4.474 ( -6.273 -0.000 -4.054) 7.469 8.198 ( 9.184 0.000 -1.545) 9.313 9.612 ( -4.947 -0.000 -9.071) 10.332 10.140 ( -6.815 -0.000 3.917) 7.860 11.435 ( 5.091 0.000 13.907) 14.809 11.698 ( 6.113 0.000 -3.885) 7.243 12.360 ( -2.833 -0.000 -2.044) 3.493 13.098 ( 4.521 0.000 1.990) 4.939 13.568 ( 13.413 0.000 2.670) 13.676 13.891 ( 0.404 0.000 -0.450) 0.605 13.955 ( 7.594 0.000 2.934) 8.141 14.887 ( -7.571 -0.000 -2.215) 7.888 15.579 ( -11.458 -0.000 -4.772) 12.412 ======================= Grid point 47 (29/306) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -2.367 2.668 -0.705) 3.636 1.061 ( -9.535 2.752 -6.365) 11.790 1.331 ( 2.349 -1.347 1.300) 3.004 1.861 ( 3.789 1.351 1.731) 4.379 1.926 ( 3.628 4.096 -0.891) 5.544 1.998 ( -0.007 2.054 -0.404) 2.093 2.020 ( 1.684 -1.478 0.456) 2.287 2.026 ( -2.936 5.372 -1.057) 6.213 2.084 ( 0.993 1.040 0.889) 1.690 2.138 ( -1.084 -1.355 -0.883) 1.947 2.247 ( -5.229 -2.712 -0.099) 5.891 2.316 ( 0.132 -8.604 6.678) 10.892 2.772 ( 0.181 0.426 -4.272) 4.297 2.916 ( 1.321 -0.352 -1.153) 1.789 3.364 ( 10.788 -0.547 3.355) 11.311 4.001 ( -7.333 10.031 -1.859) 12.564 4.185 ( 1.466 -4.726 1.696) 5.231 4.396 ( -6.853 -4.539 -3.741) 9.031 8.293 ( 5.621 -2.357 -0.114) 6.096 9.479 ( -2.888 2.010 -5.172) 6.255 10.079 ( -4.046 3.847 1.196) 5.710 11.615 ( 3.139 -2.057 9.007) 9.757 11.729 ( 3.072 -0.789 -2.135) 3.823 12.307 ( -2.491 -1.185 -2.298) 3.590 13.071 ( 3.017 14.557 1.834) 14.979 13.771 ( 7.944 -7.951 2.058) 11.426 13.917 ( -0.099 -4.777 -1.000) 4.882 14.089 ( 6.845 -1.071 3.973) 7.987 14.761 ( -6.030 2.649 -2.217) 6.949 15.417 ( -7.621 0.887 -3.813) 8.568 ======================= Grid point 48 (30/306) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.000 5.301 0.000) 5.301 0.945 ( -0.000 4.836 0.000) 4.836 1.374 ( 0.000 -2.317 -0.000) 2.317 1.867 ( -0.000 11.121 0.000) 11.121 1.873 ( -0.000 4.383 0.000) 4.383 1.921 ( -0.000 1.660 0.000) 1.660 1.948 ( -0.000 5.302 0.000) 5.302 2.050 ( 0.000 -1.800 -0.000) 1.800 2.088 ( 0.000 -0.246 -0.000) 0.246 2.207 ( 0.000 -6.142 -0.000) 6.142 2.231 ( 0.000 -3.488 -0.000) 3.488 2.467 ( 0.000 -9.203 -0.000) 9.203 2.731 ( -0.000 0.826 0.000) 0.826 2.931 ( 0.000 -0.941 -0.000) 0.941 3.496 ( 0.000 -2.571 -0.000) 2.571 3.769 ( -0.000 12.517 0.000) 12.517 4.320 ( 0.000 -1.006 -0.000) 1.006 4.348 ( 0.000 -8.955 -0.000) 8.955 8.368 ( 0.000 -4.535 -0.000) 4.535 9.406 ( -0.000 3.231 0.000) 3.231 9.990 ( -0.000 7.795 0.000) 7.795 11.713 ( 0.000 -3.314 -0.000) 3.314 11.741 ( 0.000 -0.399 -0.000) 0.399 12.309 ( 0.000 -3.878 -0.000) 3.878 12.897 ( -0.000 19.107 0.000) 19.107 13.901 ( 0.000 -0.051 -0.000) 0.051 13.995 ( 0.000 -12.432 -0.000) 12.432 14.183 ( 0.000 -3.847 -0.000) 3.847 14.676 ( -0.000 3.667 0.000) 3.667 15.326 ( -0.000 2.383 0.000) 2.383 ======================= Grid point 58 (31/306) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -0.000 0.000 0.000) 0.000 1.003 ( -0.000 0.000 0.000) 0.000 1.344 ( -0.000 0.000 0.000) 0.000 1.901 ( -0.000 0.000 0.000) 0.000 2.005 ( 0.000 -0.000 -0.000) 0.000 2.008 ( 0.000 -0.000 -0.000) 0.000 2.018 ( 0.000 -0.000 -0.000) 0.000 2.019 ( 0.000 -0.000 -0.000) 0.000 2.100 ( -0.000 0.000 0.000) 0.000 2.116 ( -0.000 0.000 0.000) 0.000 2.173 ( -0.000 0.000 0.000) 0.000 2.325 ( -0.000 0.000 0.000) 0.000 2.740 ( -0.000 0.000 0.000) 0.000 2.920 ( -0.000 0.000 0.000) 0.000 3.463 ( -0.000 0.000 0.000) 0.000 3.988 ( 0.000 -0.000 -0.000) 0.000 4.174 ( -0.000 0.000 0.000) 0.000 4.310 ( -0.000 0.000 0.000) 0.000 8.312 ( -0.000 0.000 0.000) 0.000 9.446 ( -0.000 0.000 0.000) 0.000 10.086 ( -0.000 0.000 0.000) 0.000 11.670 ( -0.000 0.000 0.000) 0.000 11.732 ( -0.000 0.000 0.000) 0.000 12.267 ( 0.000 -0.000 -0.000) 0.000 13.199 ( -0.000 0.000 0.000) 0.000 13.754 ( -0.000 0.000 0.000) 0.000 13.900 ( -0.000 0.000 0.000) 0.000 14.152 ( -0.000 0.000 0.000) 0.000 14.719 ( -0.000 0.000 0.000) 0.000 15.359 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/306) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( -3.605 -0.000 11.557) 12.107 0.318 ( 3.138 0.000 15.909) 16.216 0.639 ( 7.717 0.000 30.948) 31.896 1.174 ( -0.746 -0.000 -0.778) 1.078 1.539 ( -1.060 -0.000 -1.279) 1.661 1.783 ( 0.438 0.000 1.613) 1.672 1.928 ( -2.438 -0.000 1.390) 2.806 2.192 ( -0.735 -0.000 -0.364) 0.820 2.221 ( -1.287 -0.000 -2.647) 2.943 2.431 ( -0.558 -0.000 -0.081) 0.564 2.522 ( -1.731 -0.000 -0.825) 1.917 2.631 ( 1.004 0.000 0.466) 1.107 2.939 ( 1.781 0.000 -5.680) 5.953 3.072 ( 2.865 0.000 -3.921) 4.856 3.311 ( -3.488 -0.000 -2.628) 4.367 3.447 ( -2.075 -0.000 0.074) 2.076 4.646 ( 0.549 0.000 5.435) 5.462 5.134 ( 12.714 0.000 -1.959) 12.864 8.882 ( 3.365 0.000 11.577) 12.056 9.083 ( -11.265 -0.000 -11.262) 15.929 10.685 (-110.777 -0.000 10.589) 111.282 11.291 ( 2.535 0.000 -8.748) 9.108 11.601 ( -2.368 -0.000 -2.125) 3.182 11.624 ( 2.590 0.000 1.037) 2.790 12.982 ( -7.246 -0.000 -13.024) 14.904 13.695 ( 0.825 0.000 0.846) 1.181 13.982 ( -0.797 -0.000 -15.503) 15.524 14.362 ( -0.725 -0.000 -1.766) 1.909 14.570 ( 4.029 0.000 11.103) 11.812 15.228 ( 74.242 0.000 9.932) 74.903 ======================= Grid point 106 (33/306) ======================= q-point: ( 0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 2.018 -7.490 8.382) 11.421 0.487 ( -1.578 -2.452 15.586) 15.856 1.128 ( 18.494 -3.557 23.927) 30.450 1.197 ( 2.391 -2.502 -0.330) 3.476 1.531 ( -0.095 -2.112 -0.116) 2.118 1.791 ( -1.585 0.357 2.143) 2.689 1.905 ( -3.310 0.075 0.769) 3.399 2.164 ( -0.582 1.432 -2.053) 2.570 2.185 ( -0.406 -0.277 -1.472) 1.552 2.414 ( -0.796 1.029 -0.551) 1.412 2.498 ( -1.808 -0.586 -0.731) 2.036 2.662 ( 3.054 0.484 1.523) 3.447 2.877 ( -2.197 -0.545 -6.661) 7.035 3.036 ( -2.159 0.422 -1.646) 2.747 3.236 ( 3.175 6.173 -5.904) 9.113 3.441 ( -2.773 -5.615 -1.904) 6.545 4.682 ( -1.690 4.535 6.994) 8.505 5.116 ( -0.112 6.124 0.267) 6.131 8.699 ( -24.386 3.455 -7.855) 25.852 9.093 ( 5.708 -1.385 17.439) 18.402 10.101 ( -23.061 8.843 29.415) 38.410 11.321 ( -3.100 -13.512 -14.450) 20.025 11.568 ( -1.688 -2.991 -3.736) 5.075 11.718 ( 8.303 -1.388 2.930) 8.914 12.749 ( -5.875 0.545 -15.099) 16.211 13.685 ( -1.653 0.048 -11.911) 12.025 13.817 ( -0.047 -1.117 -6.135) 6.236 14.329 ( -3.147 -2.910 -4.589) 6.279 14.705 ( 5.502 6.780 14.103) 16.587 15.786 ( 25.332 1.776 0.128) 25.395 ======================= Grid point 107 (34/306) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 3.632 -8.885 5.626) 11.126 0.658 ( 0.136 -3.274 13.722) 14.108 1.237 ( 0.551 -0.990 -0.363) 1.190 1.506 ( 10.833 -1.274 5.407) 12.174 1.649 ( 5.853 -6.076 7.800) 11.490 1.802 ( -0.955 -1.814 5.515) 5.883 1.867 ( -3.528 0.025 0.548) 3.570 2.119 ( -0.111 1.416 -2.612) 2.973 2.179 ( 1.030 -0.853 -1.695) 2.159 2.378 ( -1.091 2.055 -0.750) 2.445 2.481 ( -2.994 -2.165 -0.329) 3.709 2.701 ( 2.832 2.831 -0.163) 4.008 2.798 ( -2.313 -0.696 -1.457) 2.821 2.992 ( -0.665 2.442 -0.940) 2.699 3.129 ( 2.381 5.366 -7.421) 9.463 3.468 ( -1.060 -8.165 -4.234) 9.258 4.621 ( -5.498 10.679 6.728) 13.768 5.075 ( -0.037 1.960 1.594) 2.527 8.374 ( -16.622 0.216 -5.432) 17.489 9.369 ( 6.285 -0.694 19.733) 20.721 10.156 ( -3.781 1.584 18.155) 18.612 11.241 ( -3.357 -6.518 -16.333) 17.903 11.547 ( -2.009 -3.868 -3.998) 5.914 11.896 ( 11.869 -2.533 3.564) 12.649 12.574 ( -0.803 -0.260 -10.580) 10.614 13.483 ( -3.556 -2.011 -17.779) 18.242 13.849 ( 1.936 -2.508 0.437) 3.199 14.257 ( -5.057 -2.895 -6.850) 8.993 14.811 ( 3.642 7.656 12.727) 15.292 15.962 ( 10.747 3.536 2.554) 11.598 ======================= Grid point 108 (35/306) ======================= q-point: ( 0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 3.713 -6.323 4.988) 8.869 0.835 ( 0.642 -4.257 11.246) 12.042 1.221 ( -1.255 1.983 -0.416) 2.384 1.628 ( 3.174 -0.619 1.219) 3.456 1.737 ( 0.297 -2.744 0.016) 2.760 1.823 ( -0.789 -1.003 -1.018) 1.633 1.997 ( 2.926 -4.102 7.577) 9.099 2.084 ( 0.453 0.272 -1.969) 2.039 2.210 ( 3.593 -2.093 0.096) 4.159 2.333 ( -1.318 2.274 -0.021) 2.629 2.471 ( -4.307 -3.819 -0.020) 5.757 2.649 ( -2.791 0.780 -1.030) 3.076 2.798 ( 4.035 8.587 0.539) 9.503 2.955 ( 1.737 0.970 -0.897) 2.182 3.049 ( 1.448 1.408 -4.455) 4.891 3.528 ( 1.043 -10.632 -4.865) 11.738 4.457 ( -8.020 13.738 5.601) 16.865 5.084 ( 0.424 0.132 1.019) 1.111 8.193 ( -10.913 -2.321 -1.257) 11.228 9.606 ( 3.239 2.044 15.877) 16.333 10.278 ( 1.801 -0.377 7.714) 7.930 11.098 ( -2.388 -2.393 -12.861) 13.298 11.538 ( -1.968 -4.100 -2.178) 5.042 12.100 ( 11.095 -3.176 2.657) 11.842 12.523 ( 3.281 -0.192 -4.398) 5.490 13.341 ( -0.367 -5.522 -13.679) 14.757 13.899 ( 1.089 -1.162 1.067) 1.917 14.157 ( -4.774 -3.259 -7.326) 9.332 14.860 ( 0.677 7.602 9.571) 12.241 16.031 ( 4.839 3.070 1.209) 5.857 ======================= Grid point 109 (36/306) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 2.503 -2.188 5.359) 6.307 0.972 ( -1.883 -3.096 7.695) 8.505 1.165 ( -1.371 3.545 -0.005) 3.801 1.630 ( -1.300 0.356 -0.266) 1.374 1.744 ( -0.736 0.129 0.105) 0.755 1.892 ( 4.946 -4.819 -0.197) 6.908 2.038 ( -0.525 0.517 -0.248) 0.778 2.103 ( 0.757 -1.747 -0.151) 1.910 2.237 ( -0.430 0.577 -3.431) 3.505 2.331 ( 0.887 0.187 2.505) 2.664 2.466 ( -2.319 -1.877 0.228) 2.992 2.654 ( -3.914 -6.227 3.693) 8.230 2.674 ( 1.813 10.598 -6.434) 12.530 2.986 ( 2.044 1.035 1.283) 2.626 3.036 ( 2.421 0.307 -0.513) 2.493 3.652 ( 4.918 -12.133 -3.776) 13.626 4.249 ( -8.678 13.977 5.033) 17.205 5.086 ( -0.320 -0.003 -0.883) 0.939 8.150 ( -6.901 -4.644 5.483) 9.963 9.684 ( -2.206 4.975 6.236) 8.277 10.296 ( 1.964 2.421 -8.592) 9.140 11.066 ( 2.859 -2.489 2.743) 4.679 11.556 ( -1.295 -3.642 0.711) 3.931 12.261 ( 6.321 -2.799 1.768) 7.136 12.533 ( 2.471 0.441 -1.513) 2.931 13.340 ( 4.985 -6.292 -5.884) 9.953 13.903 ( -1.532 0.788 -0.383) 1.765 14.116 ( 0.068 -5.049 -3.752) 6.290 14.843 ( -2.376 6.707 5.615) 9.064 16.031 ( 1.086 2.033 -2.230) 3.207 ======================= Grid point 110 (37/306) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -6.942 2.967 3.779) 8.442 0.983 ( -1.397 4.228 1.922) 4.850 1.165 ( 1.349 -0.774 4.088) 4.374 1.613 ( 0.181 -0.188 -1.337) 1.362 1.751 ( 0.690 -0.154 1.260) 1.445 1.958 ( 0.038 0.562 -1.742) 1.831 2.014 ( -0.956 1.084 -0.401) 1.500 2.122 ( -0.661 -0.752 0.445) 1.096 2.199 ( 1.345 -2.469 -4.382) 5.206 2.318 ( -3.793 1.830 -0.810) 4.288 2.462 ( 0.984 2.872 0.405) 3.063 2.544 ( 3.518 2.801 -4.454) 6.329 2.733 ( -4.577 -7.950 3.083) 9.678 2.975 ( -1.393 0.045 -1.966) 2.410 3.090 ( 4.058 0.760 3.995) 5.745 3.838 ( 8.103 -11.642 -2.294) 14.369 4.049 ( -8.068 11.557 4.698) 14.857 5.056 ( -1.335 0.103 -3.190) 3.459 8.246 ( -4.321 -6.750 13.142) 15.393 9.577 ( -6.505 6.726 -2.500) 9.685 10.122 ( 1.039 5.909 -17.293) 18.304 11.243 ( 7.066 -2.159 12.121) 14.196 11.600 ( -0.578 -2.451 2.613) 3.629 12.325 ( -2.244 0.750 1.760) 2.949 12.541 ( 1.191 -2.074 -0.742) 2.504 13.463 ( 8.305 -3.512 2.066) 9.251 13.876 ( -0.141 -0.604 -0.957) 1.140 14.184 ( 3.994 -4.281 0.536) 5.879 14.765 ( -5.043 5.049 1.327) 7.259 15.966 ( -1.833 0.573 -6.768) 7.035 ======================= Grid point 111 (38/306) ======================= q-point: (-0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -8.425 6.561 -0.240) 10.681 0.900 ( -6.288 7.690 3.688) 10.596 1.241 ( 1.562 -0.790 3.862) 4.240 1.614 ( 1.929 -0.525 -1.978) 2.813 1.736 ( -2.444 3.136 -6.278) 7.431 1.883 ( -2.303 1.940 -0.240) 3.021 1.907 ( -8.869 6.605 -1.760) 11.198 2.132 ( -0.629 -1.514 1.580) 2.277 2.187 ( -0.960 -1.161 -3.543) 3.850 2.296 ( 1.783 -3.100 0.603) 3.627 2.451 ( 1.992 1.509 -0.408) 2.532 2.599 ( 7.648 -1.328 0.516) 7.780 2.767 ( -5.475 -4.352 0.693) 7.029 2.939 ( -0.243 -0.657 -2.663) 2.753 3.180 ( 3.662 -0.025 5.387) 6.514 3.885 ( -7.980 8.735 5.175) 12.914 4.057 ( 9.217 -11.789 -2.449) 15.164 4.992 ( -2.039 0.121 -5.158) 5.548 8.456 ( -3.599 -8.473 19.619) 21.671 9.364 ( -7.976 7.755 -4.305) 11.929 9.874 ( 0.500 7.098 -18.270) 19.607 11.467 ( 8.129 0.854 11.721) 14.290 11.641 ( -0.443 -1.208 2.093) 2.456 12.220 ( -9.892 4.949 0.253) 11.064 12.622 ( 1.948 -5.781 3.560) 7.064 13.628 ( 7.165 -1.275 6.338) 9.650 13.906 ( 3.377 -0.618 1.518) 3.753 14.299 ( 6.022 -2.472 1.915) 6.785 14.640 ( -7.018 2.996 -2.553) 8.047 15.843 ( -3.889 -1.373 -12.032) 12.720 ======================= Grid point 112 (39/306) ======================= q-point: (-0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -8.950 7.948 0.201) 11.972 0.742 ( -10.053 9.358 4.166) 14.352 1.259 ( -2.607 3.200 -2.343) 4.746 1.429 ( -14.889 6.684 -10.334) 19.317 1.644 ( 3.109 -1.405 -2.075) 3.994 1.730 ( -5.869 6.606 0.401) 8.846 1.891 ( 0.135 0.091 3.013) 3.017 2.163 ( -0.422 -1.468 1.683) 2.273 2.171 ( 0.132 -1.242 -1.846) 2.229 2.370 ( 1.691 -3.131 1.288) 3.784 2.462 ( 1.787 -0.395 -0.338) 1.861 2.700 ( 0.543 -0.671 -0.279) 0.907 2.763 ( 5.497 -1.464 0.266) 5.695 2.939 ( 1.279 -1.607 -1.908) 2.803 3.276 ( 2.650 -0.810 5.142) 5.842 3.748 ( -8.521 5.177 2.322) 10.237 4.273 ( 8.398 -9.800 -0.283) 12.909 4.905 ( -2.404 0.214 -6.716) 7.137 8.718 ( -4.820 -9.157 18.479) 21.179 9.186 ( -7.338 6.792 8.446) 13.088 9.616 ( -1.242 5.710 -16.782) 17.770 11.625 ( 9.022 6.573 8.290) 13.904 11.652 ( -1.159 -0.843 -0.615) 1.560 12.030 ( -11.235 6.099 0.975) 12.821 12.780 ( 1.574 -8.385 7.145) 11.128 13.772 ( 4.048 -1.364 5.524) 6.983 13.986 ( 5.577 3.148 6.355) 9.022 14.382 ( 2.291 -2.528 -4.499) 5.646 14.506 ( -4.596 2.758 -0.858) 5.429 15.671 ( -4.026 -3.241 -18.333) 19.048 ======================= Grid point 113 (40/306) ======================= q-point: (-0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -9.412 8.502 2.878) 13.006 0.538 ( -13.728 8.492 2.950) 16.410 0.878 ( -22.066 11.677 -10.174) 26.959 1.282 ( -3.648 3.168 0.792) 4.896 1.623 ( -2.697 4.064 0.639) 4.919 1.688 ( 3.352 -2.090 -1.170) 4.120 1.918 ( -0.397 0.228 2.726) 2.764 2.173 ( 0.208 -1.229 -0.554) 1.364 2.188 ( -0.435 -0.948 1.167) 1.565 2.417 ( 0.202 -1.432 0.725) 1.617 2.498 ( 1.564 -2.070 0.360) 2.619 2.663 ( -2.494 0.360 -0.861) 2.663 2.896 ( 11.771 -1.288 -1.689) 11.961 2.957 ( 1.706 -0.999 -1.027) 2.228 3.354 ( -0.144 -2.079 3.593) 4.153 3.611 ( -7.959 3.674 -0.124) 8.766 4.466 ( 6.752 -6.276 2.398) 9.525 4.803 ( -2.510 0.497 -6.162) 6.672 8.812 ( -3.376 -0.511 1.039) 3.569 9.294 ( -2.872 3.974 13.319) 14.193 9.472 ( -13.204 -14.317 23.047) 30.174 11.625 ( -1.449 -0.901 -3.167) 3.598 11.698 ( 11.008 13.056 5.901) 18.068 11.870 ( -6.197 5.872 3.573) 9.254 12.974 ( 0.128 -10.036 6.580) 12.001 13.834 ( -0.648 1.769 2.003) 2.750 14.082 ( 5.408 3.862 7.796) 10.244 14.319 ( -4.325 -6.565 -8.970) 11.928 14.458 ( -0.432 4.837 -0.411) 4.873 15.442 ( 0.062 0.577 -28.720) 28.726 ======================= Grid point 114 (41/306) ======================= q-point: (-0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( -16.370 6.274 -2.540) 17.714 0.280 ( -8.633 8.868 7.522) 14.483 0.520 ( -16.566 11.107 17.899) 26.799 1.216 ( -2.772 1.702 -0.272) 3.264 1.571 ( -1.251 1.503 -0.681) 2.071 1.743 ( 2.378 -1.547 0.889) 2.973 1.931 ( -1.251 0.041 2.232) 2.559 2.196 ( -0.175 -0.886 -0.037) 0.904 2.207 ( 0.556 -2.462 1.449) 2.911 2.431 ( -0.338 -0.638 0.211) 0.752 2.536 ( -0.254 -2.339 -0.416) 2.389 2.632 ( -1.039 0.009 -0.646) 1.224 2.956 ( 3.262 -0.702 -4.575) 5.663 3.026 ( 9.380 0.135 -1.768) 9.546 3.373 ( -7.306 -4.537 0.099) 8.601 3.493 ( -2.491 4.692 -0.072) 5.312 4.591 ( 2.326 -0.524 1.834) 3.008 4.826 ( 8.063 -5.059 10.500) 14.172 8.796 ( 0.248 2.084 4.188) 4.684 9.197 ( -1.387 0.900 -5.859) 6.087 10.290 ( -28.923 -79.956 64.884) 106.955 11.595 ( 0.002 -0.958 -2.537) 2.712 11.671 ( -1.007 6.204 0.842) 6.341 11.898 ( 17.244 13.087 3.828) 21.983 13.101 ( -2.917 -6.602 -0.113) 7.219 13.776 ( -8.256 -2.600 -1.610) 8.804 14.149 ( -5.092 -0.786 -7.305) 8.939 14.240 ( -1.917 0.722 -0.207) 2.058 14.378 ( 0.985 1.149 -1.086) 1.863 14.984 ( 16.224 41.164 -29.370) 53.106 ======================= Grid point 116 (42/306) ======================= q-point: ( 0.10 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 5.304 0.000 7.674) 9.329 0.620 ( 0.054 0.000 15.096) 15.096 1.226 ( 4.445 0.000 0.512) 4.475 1.524 ( 0.838 0.000 1.523) 1.738 1.537 ( 15.964 0.000 17.758) 23.878 1.779 ( -3.881 -0.000 1.972) 4.353 1.869 ( -3.711 -0.000 0.209) 3.717 2.146 ( -0.557 -0.000 -2.671) 2.728 2.157 ( 0.751 0.000 -2.846) 2.943 2.406 ( -0.912 -0.000 -0.314) 0.965 2.450 ( -3.331 -0.000 -1.781) 3.777 2.756 ( 7.371 0.000 4.617) 8.697 2.769 ( -4.852 -0.000 -4.635) 6.710 3.017 ( -0.116 -0.000 -1.005) 1.012 3.263 ( 6.205 0.000 -10.176) 11.918 3.311 ( -7.380 -0.000 -1.953) 7.634 4.767 ( -2.289 -0.000 7.810) 8.138 5.093 ( -5.759 -0.000 -0.982) 5.842 8.383 ( -19.191 -0.000 -5.978) 20.101 9.359 ( 7.836 0.000 20.480) 21.928 10.192 ( -11.808 -0.000 21.909) 24.888 11.131 ( 3.028 0.000 -14.482) 14.795 11.504 ( 0.273 0.000 -4.273) 4.282 11.868 ( 12.378 0.000 3.541) 12.875 12.564 ( -0.146 -0.000 -12.814) 12.815 13.460 ( -4.690 -0.000 -20.633) 21.159 13.820 ( 2.231 0.000 1.521) 2.700 14.217 ( -5.115 -0.000 -5.178) 7.278 14.921 ( 2.687 0.000 12.299) 12.589 16.006 ( 11.612 0.000 -0.330) 11.616 ======================= Grid point 117 (43/306) ======================= q-point: ( 0.20 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 7.181 -3.717 6.913) 10.638 0.777 ( 1.165 -1.190 13.035) 13.141 1.276 ( 4.070 2.130 0.690) 4.646 1.588 ( 3.748 -2.478 3.451) 5.665 1.721 ( -1.919 2.421 1.623) 3.490 1.819 ( -1.695 -0.242 -0.469) 1.775 1.869 ( 3.899 -5.594 9.704) 11.860 2.102 ( 0.088 1.084 -3.428) 3.597 2.154 ( 1.441 -2.075 -2.603) 3.627 2.371 ( -3.219 1.206 -1.402) 3.713 2.407 ( -2.641 -1.558 -0.683) 3.141 2.676 ( -4.520 0.841 -1.626) 4.877 2.920 ( 11.051 1.857 6.865) 13.142 3.002 ( 0.208 1.588 -1.199) 2.001 3.125 ( -1.642 6.110 -7.197) 9.583 3.306 ( 0.128 -8.663 -6.547) 10.859 4.743 ( -5.550 9.444 6.226) 12.600 5.035 ( -5.154 -3.736 -0.287) 6.372 8.159 ( -11.770 -0.665 -3.235) 12.225 9.646 ( 6.500 0.957 18.478) 19.611 10.274 ( -4.992 0.176 13.827) 14.702 11.030 ( 1.642 -2.432 -14.029) 14.332 11.481 ( 1.645 -1.035 -3.799) 4.267 12.053 ( 12.389 -0.965 2.393) 12.655 12.519 ( 7.749 0.015 -5.274) 9.374 13.233 ( -2.292 -3.136 -17.958) 18.373 13.867 ( 1.737 -0.986 1.788) 2.680 14.101 ( -6.059 -1.299 -6.410) 8.915 15.021 ( 0.348 4.641 9.687) 10.747 16.079 ( 3.611 0.982 -0.522) 3.778 ======================= Grid point 118 (44/306) ======================= q-point: ( 0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 7.457 -3.327 6.691) 10.557 0.922 ( 0.149 -1.474 10.511) 10.615 1.277 ( 2.299 5.431 1.278) 6.035 1.665 ( -1.395 2.783 1.662) 3.529 1.720 ( 3.336 -3.485 0.870) 4.902 1.796 ( 0.484 -1.739 -0.503) 1.874 2.029 ( 1.064 -2.933 3.222) 4.485 2.065 ( 0.705 -0.122 -3.054) 3.137 2.204 ( 2.227 -5.103 -0.084) 5.568 2.294 ( -5.994 -1.472 -2.148) 6.536 2.395 ( -2.103 -0.926 0.593) 2.373 2.616 ( -3.998 0.872 1.548) 4.375 2.895 ( -2.795 7.436 -6.124) 10.031 3.028 ( 0.796 0.615 -3.753) 3.885 3.053 ( 6.424 3.071 3.125) 7.776 3.402 ( 6.665 -9.360 -1.840) 11.637 4.572 ( -8.240 13.334 3.912) 16.155 5.032 ( -4.530 -4.765 -0.664) 6.608 8.064 ( -6.285 -2.630 1.671) 7.015 9.800 ( 0.418 4.300 8.600) 9.624 10.322 ( -1.796 0.414 1.874) 2.628 10.996 ( 3.817 -3.120 -1.859) 5.269 11.494 ( 2.835 -1.763 -1.740) 3.765 12.212 ( 9.139 -1.407 1.435) 9.358 12.582 ( 9.159 3.849 -1.419) 10.036 13.166 ( 4.857 -8.289 -9.857) 13.765 13.906 ( -0.650 -0.574 0.726) 1.131 13.999 ( -3.214 -3.772 -5.736) 7.580 15.020 ( -2.438 7.238 6.553) 10.063 16.066 ( -1.238 0.860 -2.534) 2.948 ======================= Grid point 119 (45/306) ======================= q-point: ( 0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.806 0.504 5.635) 5.715 1.019 ( 3.200 -0.533 6.571) 7.328 1.243 ( 1.357 6.540 2.640) 7.182 1.633 ( 0.667 2.250 -0.516) 2.403 1.750 ( 0.191 0.090 1.293) 1.310 1.898 ( 5.620 -4.777 0.133) 7.377 2.032 ( -0.347 0.441 -1.402) 1.510 2.081 ( 0.953 -2.295 -1.391) 2.848 2.179 ( -3.650 0.292 -4.723) 5.976 2.330 ( -1.239 -3.659 1.660) 4.205 2.397 ( -2.929 -6.039 1.082) 6.798 2.579 ( -5.701 1.859 2.620) 6.544 2.724 ( -0.295 5.343 -4.817) 7.200 2.986 ( 0.150 0.799 -4.777) 4.846 3.102 ( 1.988 0.045 2.538) 3.224 3.608 ( 11.267 -7.360 0.744) 13.478 4.347 ( -8.960 13.291 2.873) 16.284 5.010 ( -5.248 -4.036 -2.747) 7.168 8.106 ( -2.620 -5.027 8.047) 9.843 9.735 ( -5.026 6.250 -2.048) 8.278 10.236 ( -1.218 4.188 -9.134) 10.122 11.165 ( 7.076 -4.243 11.339) 14.023 11.553 ( 4.008 -2.013 0.717) 4.542 12.323 ( 4.345 -0.537 2.327) 4.958 12.578 ( 3.569 5.482 -2.446) 6.984 13.325 ( 12.060 -8.380 -0.646) 14.700 13.864 ( -2.166 -0.450 -2.229) 3.140 14.041 ( 2.586 -6.853 -0.963) 7.388 14.934 ( -5.197 8.281 3.473) 10.375 15.981 ( -4.751 0.527 -5.879) 7.577 ======================= Grid point 120 (46/306) ======================= q-point: (-0.50 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -6.826 4.774 2.793) 8.786 1.069 ( 0.429 6.192 2.373) 6.645 1.250 ( 2.348 1.885 5.183) 5.994 1.620 ( 2.773 1.658 -1.741) 3.670 1.769 ( 0.650 0.315 -0.244) 0.762 1.935 ( -1.959 1.760 -3.705) 4.546 2.012 ( -1.077 1.269 -0.467) 1.729 2.104 ( -2.102 -0.745 -0.053) 2.231 2.117 ( 0.602 -4.426 -3.393) 5.609 2.272 ( -4.935 1.409 -1.082) 5.245 2.481 ( -2.941 -2.512 -2.065) 4.384 2.520 ( 3.648 -2.937 2.356) 5.243 2.705 ( 0.138 0.209 2.619) 2.631 2.929 ( -0.573 -0.215 -4.514) 4.555 3.166 ( 1.611 -1.338 4.636) 5.087 3.825 ( 10.731 -6.977 -0.745) 12.821 4.128 ( -8.090 11.278 2.922) 14.184 4.951 ( -5.924 -3.605 -4.681) 8.367 8.270 ( -1.066 -7.275 14.025) 15.836 9.541 ( -6.759 6.975 -5.598) 11.210 10.041 ( -1.296 7.370 -12.675) 14.720 11.423 ( 7.170 -3.823 12.085) 14.563 11.637 ( 5.016 -0.440 2.335) 5.551 12.348 ( -2.931 4.662 3.603) 6.581 12.536 ( 1.645 0.694 -1.658) 2.437 13.561 ( 10.904 -4.791 3.408) 12.388 13.873 ( 3.399 -1.772 0.864) 3.930 14.168 ( 5.055 -8.041 -0.458) 9.509 14.785 ( -7.253 8.271 1.143) 11.060 15.827 ( -7.399 -0.003 -10.000) 12.440 ======================= Grid point 121 (47/306) ======================= q-point: (-0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -7.835 7.677 1.973) 11.145 0.956 ( -6.390 8.795 0.666) 10.892 1.314 ( 2.712 1.461 3.060) 4.341 1.614 ( -1.894 2.334 -9.720) 10.174 1.628 ( -3.200 6.314 -4.445) 8.359 1.881 ( -4.653 3.263 3.420) 6.633 1.904 ( -3.190 3.748 0.443) 4.941 2.120 ( -0.343 -2.313 1.153) 2.607 2.133 ( 0.292 -1.878 -1.956) 2.727 2.281 ( 1.922 -4.127 0.589) 4.591 2.451 ( -0.794 -0.807 -1.524) 1.898 2.664 ( 7.928 -4.757 0.037) 9.246 2.714 ( -2.289 -0.173 1.833) 2.938 2.907 ( 1.143 -1.133 -1.780) 2.399 3.255 ( 1.449 -1.129 6.164) 6.432 3.864 ( -6.986 3.527 -3.739) 8.673 4.099 ( 8.560 -3.087 4.283) 10.058 4.868 ( -6.183 -3.323 -5.609) 8.985 8.508 ( -2.148 -8.686 17.218) 19.404 9.346 ( -5.816 6.509 -1.039) 8.790 9.793 ( -1.962 9.128 -13.746) 16.617 11.607 ( 3.945 -2.265 1.682) 4.850 11.739 ( 7.010 1.851 7.614) 10.514 12.226 ( -6.198 11.004 3.399) 13.079 12.589 ( 0.107 -7.014 1.783) 7.238 13.734 ( 5.718 -2.019 4.601) 7.612 13.999 ( 8.794 -1.827 4.500) 10.046 14.298 ( 4.017 -5.477 -3.609) 7.692 14.621 ( -6.278 6.756 1.641) 9.368 15.617 ( -8.489 -1.054 -14.089) 16.482 ======================= Grid point 122 (48/306) ======================= q-point: (-0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -8.345 9.025 2.852) 12.618 0.738 ( -11.968 8.459 -2.514) 14.870 1.201 ( -8.019 13.911 -7.248) 17.616 1.391 ( -1.243 5.632 2.120) 6.145 1.634 ( 2.842 -1.243 -2.721) 4.126 1.752 ( -5.115 6.387 1.527) 8.324 1.919 ( -0.310 -0.100 2.541) 2.562 2.136 ( 0.644 -1.909 -2.155) 2.950 2.159 ( -0.427 -1.597 1.907) 2.524 2.361 ( 1.381 -3.488 1.184) 3.934 2.450 ( 0.255 -2.160 -1.311) 2.539 2.678 ( -1.287 0.777 -1.226) 1.940 2.822 ( 7.539 -5.056 -0.982) 9.131 2.937 ( 3.326 -0.777 0.178) 3.420 3.330 ( -0.729 0.217 5.353) 5.407 3.687 ( -8.143 2.941 -3.586) 9.371 4.310 ( 9.378 -6.178 4.068) 11.944 4.777 ( -5.944 -2.778 -5.092) 8.305 8.721 ( -5.161 -6.725 13.784) 16.182 9.282 ( -5.450 0.414 10.719) 12.032 9.527 ( -2.114 10.123 -10.317) 14.608 11.625 ( 2.208 0.556 -4.148) 4.732 11.883 ( 5.943 0.904 6.860) 9.121 12.050 ( -4.289 13.461 3.065) 14.456 12.718 ( -1.291 -11.122 3.436) 11.712 13.845 ( 2.761 -0.269 4.509) 5.294 14.171 ( 7.211 -2.381 3.222) 8.249 14.252 ( -1.679 4.012 -4.261) 6.088 14.550 ( -1.971 2.915 -0.198) 3.524 15.403 ( -4.368 -2.341 -15.141) 15.931 ======================= Grid point 123 (49/306) ======================= q-point: (-0.20 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -9.330 9.078 -0.775) 13.041 0.510 ( -7.137 10.235 5.845) 13.779 0.901 ( -5.598 18.655 5.305) 20.187 1.329 ( -0.900 6.875 0.793) 6.979 1.625 ( -0.725 1.995 -2.517) 3.293 1.703 ( 0.555 -0.204 2.778) 2.840 1.933 ( -1.306 -0.025 1.863) 2.276 2.147 ( 0.629 -2.066 -1.666) 2.727 2.184 ( -0.642 -0.934 1.409) 1.808 2.402 ( -0.372 -1.845 0.223) 1.895 2.483 ( 1.060 -2.778 -0.159) 2.978 2.645 ( -0.700 0.929 -0.667) 1.341 2.915 ( 4.006 -2.982 -3.387) 6.034 3.015 ( 8.334 -1.470 -1.277) 8.558 3.303 ( -8.937 -0.281 0.145) 8.942 3.574 ( -2.148 2.178 -0.710) 3.140 4.515 ( 4.884 -5.324 3.814) 8.170 4.727 ( -1.237 -3.797 0.861) 4.086 8.821 ( -4.194 -1.494 10.603) 11.500 9.208 ( -10.481 -0.155 -10.780) 15.036 9.535 ( -5.222 -3.867 29.793) 30.493 11.602 ( 3.522 1.272 -3.932) 5.430 11.854 ( -7.407 7.847 1.084) 10.845 11.996 ( 5.629 3.501 -0.410) 6.642 12.859 ( -2.858 -12.155 1.296) 12.553 13.849 ( -2.676 3.845 -0.980) 4.786 14.146 ( -0.018 -0.144 -2.760) 2.764 14.312 ( 2.462 4.987 2.183) 5.975 14.421 ( -1.751 2.150 -5.174) 5.870 15.316 ( 8.936 0.529 -8.671) 12.463 ======================= Grid point 124 (50/306) ======================= q-point: (-0.10 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 5.188 7.831 10.126) 13.812 0.419 ( -3.587 8.861 11.129) 14.671 0.818 ( 6.637 13.530 20.000) 25.042 1.243 ( -0.635 5.865 -0.111) 5.901 1.569 ( -0.604 2.493 -1.209) 2.836 1.759 ( 0.875 -1.737 2.500) 3.167 1.927 ( -2.409 -0.061 1.306) 2.740 2.164 ( 0.074 -2.461 -1.613) 2.943 2.194 ( -0.700 -0.546 0.467) 1.003 2.413 ( -0.673 -1.471 -0.383) 1.662 2.513 ( -0.218 -0.918 0.068) 0.946 2.633 ( 0.751 0.407 0.125) 0.863 2.933 ( 2.320 -0.635 -4.607) 5.196 3.086 ( 5.005 1.027 -5.373) 7.415 3.203 ( -7.879 -6.361 -1.595) 10.251 3.528 ( -0.451 4.357 -0.190) 4.384 4.593 ( -2.246 -4.182 3.922) 6.158 4.919 ( 7.408 -10.133 7.243) 14.492 8.915 ( -2.673 -0.647 13.868) 14.138 8.979 ( -13.219 -2.589 -9.710) 16.605 9.870 ( -18.804 -16.537 35.734) 43.634 11.607 ( 6.000 1.706 -4.482) 7.681 11.697 ( -5.073 6.422 -0.243) 8.188 11.821 ( -13.300 9.784 -14.426) 21.925 12.909 ( -6.374 -7.841 -7.607) 12.648 13.757 ( 0.099 3.423 -2.724) 4.375 13.977 ( -4.289 4.709 -12.974) 14.453 14.390 ( 7.283 -6.191 11.693) 15.103 14.423 ( 1.962 3.292 -1.921) 4.287 15.449 ( 26.562 3.657 0.489) 26.817 ======================= Grid point 127 (51/306) ======================= q-point: ( 0.20 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 9.231 0.000 8.106) 12.286 0.904 ( 1.009 0.000 10.556) 10.604 1.362 ( 5.273 0.000 1.063) 5.379 1.649 ( 4.545 0.000 2.205) 5.051 1.725 ( -2.792 -0.000 4.160) 5.010 1.787 ( -1.962 -0.000 -0.537) 2.034 1.950 ( 2.311 0.000 4.944) 5.457 2.079 ( 0.457 0.000 -3.233) 3.266 2.121 ( 0.449 0.000 -3.061) 3.093 2.287 ( -5.482 -0.000 -3.785) 6.662 2.391 ( -1.542 -0.000 1.187) 1.946 2.630 ( -3.586 -0.000 1.272) 3.805 2.995 ( -8.312 -0.000 -2.028) 8.556 3.010 ( 0.880 0.000 -1.101) 1.409 3.154 ( 5.122 0.000 -13.240) 14.196 3.243 ( 12.705 0.000 8.299) 15.176 4.807 ( -6.442 -0.000 5.193) 8.275 4.899 ( -7.985 -0.000 -2.384) 8.334 8.033 ( -6.427 -0.000 0.544) 6.450 9.853 ( 2.929 0.000 7.576) 8.122 10.328 ( -5.334 -0.000 9.095) 10.544 10.953 ( 5.256 0.000 -4.907) 7.191 11.474 ( 3.770 0.000 -3.066) 4.859 12.195 ( 10.139 0.000 1.202) 10.210 12.660 ( 16.741 0.000 1.702) 16.827 13.033 ( 0.490 0.000 -14.131) 14.140 13.892 ( 0.645 0.000 1.459) 1.595 13.960 ( -5.664 -0.000 -6.180) 8.383 15.115 ( -2.421 -0.000 6.194) 6.650 16.074 ( -2.088 -0.000 -2.759) 3.460 ======================= Grid point 128 (52/306) ======================= q-point: ( 0.30 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 6.920 -0.269 7.111) 9.926 1.001 ( 0.509 -0.626 7.851) 7.893 1.396 ( 3.587 5.177 1.389) 6.450 1.701 ( 3.408 1.055 -0.602) 3.618 1.756 ( 0.018 1.328 2.277) 2.636 1.797 ( 3.409 -1.954 3.018) 4.954 2.021 ( 0.404 -3.390 0.288) 3.426 2.047 ( -0.019 0.987 -1.984) 2.216 2.123 ( -3.682 -6.738 -0.680) 7.708 2.192 ( -2.297 -0.012 -3.835) 4.470 2.374 ( -3.328 0.115 0.864) 3.440 2.623 ( -1.759 1.235 4.591) 5.069 2.826 ( -9.967 2.699 -3.711) 10.973 3.000 ( 0.535 0.111 -4.534) 4.567 3.092 ( 3.938 -0.550 -7.476) 8.468 3.506 ( 14.282 -1.827 6.697) 15.879 4.639 ( -9.142 11.540 0.703) 14.739 4.870 ( -7.974 -8.056 -1.691) 11.461 8.025 ( -2.227 -1.864 5.642) 6.345 9.839 ( -2.549 2.361 -6.347) 7.236 10.317 ( -4.581 2.361 1.989) 5.524 11.075 ( 8.179 -2.631 9.352) 12.700 11.508 ( 5.053 -1.326 -1.612) 5.467 12.315 ( 6.787 -0.172 2.156) 7.123 12.782 ( 10.824 11.514 -1.730) 15.897 13.078 ( 12.097 -12.474 -2.738) 17.591 13.855 ( -2.797 -0.282 -3.968) 4.862 13.921 ( 0.036 -2.780 0.393) 2.808 15.092 ( -4.945 4.173 2.898) 7.090 15.985 ( -6.163 -0.079 -5.202) 8.065 ======================= Grid point 129 (53/306) ======================= q-point: (-0.60 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -3.765 1.810 4.086) 5.844 1.142 ( 5.530 0.499 5.313) 7.685 1.356 ( -0.208 6.559 0.540) 6.585 1.703 ( 3.565 5.022 0.090) 6.159 1.773 ( 1.382 0.180 1.877) 2.338 1.913 ( 5.449 -4.280 0.357) 6.938 1.986 ( -2.070 -0.572 -5.540) 5.942 2.051 ( 0.381 -1.514 -1.361) 2.071 2.095 ( -3.105 -0.490 -0.661) 3.212 2.265 ( 0.781 -8.898 2.581) 9.298 2.321 ( -6.018 0.345 0.650) 6.063 2.584 ( -6.312 4.344 0.816) 7.706 2.721 ( -0.627 -0.016 1.848) 1.951 2.931 ( 0.317 0.321 -7.787) 7.800 3.117 ( 2.866 -2.449 0.265) 3.779 3.734 ( 12.539 -1.387 3.846) 13.189 4.395 ( -9.711 11.348 -0.359) 14.940 4.830 ( -8.684 -6.800 -3.894) 11.697 8.133 ( -0.026 -4.323 10.988) 11.808 9.667 ( -4.511 3.685 -10.557) 12.057 10.206 ( -3.786 6.275 -3.957) 8.328 11.330 ( 7.633 -3.643 12.943) 15.462 11.591 ( 5.682 -2.937 0.603) 6.425 12.385 ( 1.421 0.242 2.355) 2.761 12.714 ( 5.844 12.347 -1.429) 13.735 13.391 ( 15.689 -10.106 1.916) 18.760 13.838 ( 2.453 -1.132 0.105) 2.704 13.982 ( 1.237 -6.623 -0.116) 6.738 14.972 ( -6.974 6.792 0.407) 9.744 15.831 ( -8.860 0.096 -8.091) 11.999 ======================= Grid point 130 (54/306) ======================= q-point: (-0.50 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -5.984 4.939 2.896) 8.281 1.145 ( -3.996 7.295 -1.663) 8.483 1.318 ( 1.139 -0.664 2.096) 2.476 1.670 ( 2.809 3.946 -4.658) 6.720 1.782 ( 1.578 5.139 -0.724) 5.424 1.904 ( -1.404 1.140 -0.114) 1.812 2.008 ( -0.367 0.592 -0.680) 0.974 2.054 ( -0.173 -2.496 0.054) 2.503 2.090 ( 0.104 -1.567 0.496) 1.647 2.221 ( -4.040 0.178 -0.411) 4.064 2.399 ( -1.572 -5.004 0.555) 5.274 2.532 ( 0.151 -4.061 2.160) 4.602 2.738 ( 0.328 1.379 0.009) 1.418 2.883 ( 1.539 -0.915 -2.892) 3.401 3.212 ( 3.774 -2.628 4.659) 6.546 3.886 ( 6.043 0.242 -0.663) 6.084 4.176 ( -5.411 7.524 0.799) 9.302 4.757 ( -8.688 -6.175 -5.030) 11.786 8.328 ( -0.449 -6.559 14.984) 16.363 9.472 ( -3.872 4.297 -8.021) 9.889 10.016 ( -3.210 9.430 -7.246) 12.318 11.547 ( 6.134 -2.600 5.401) 8.577 11.716 ( 4.261 -3.342 5.308) 7.583 12.404 ( -2.074 -0.309 3.492) 4.074 12.607 ( 2.658 12.867 -0.651) 13.155 13.662 ( 10.617 -4.812 3.319) 12.119 13.944 ( 8.146 -2.272 3.830) 9.284 14.104 ( 3.589 -10.181 -1.196) 10.862 14.798 ( -7.536 7.585 -0.498) 10.704 15.619 ( -10.013 0.807 -10.889) 14.815 ======================= Grid point 131 (55/306) ======================= q-point: (-0.40 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -7.358 7.590 2.618) 10.890 0.923 ( -10.474 7.358 -4.737) 13.648 1.376 ( 2.989 0.259 1.390) 3.307 1.549 ( -0.296 7.925 -8.190) 11.401 1.709 ( 1.856 8.130 1.327) 8.444 1.903 ( -6.067 5.785 2.385) 8.716 1.917 ( -0.556 0.347 1.596) 1.725 2.087 ( 0.880 -2.286 -1.876) 3.086 2.119 ( -0.291 -1.686 1.984) 2.620 2.260 ( 2.386 -4.967 0.792) 5.567 2.395 ( -2.549 -2.537 -1.385) 3.854 2.647 ( 3.331 -6.345 -4.299) 8.357 2.722 ( -0.579 -0.353 4.037) 4.093 2.916 ( 3.146 -1.059 -0.025) 3.320 3.342 ( 4.881 -0.065 6.790) 8.363 3.769 ( -9.045 4.972 -6.299) 12.092 4.213 ( 7.996 -2.033 4.126) 9.225 4.678 ( -8.061 -5.667 -4.661) 10.900 8.548 ( -3.770 -7.515 16.270) 18.314 9.337 ( -2.137 3.364 -2.960) 4.964 9.787 ( -1.977 11.525 -6.631) 13.443 11.632 ( 4.711 -0.158 -3.037) 5.607 11.850 ( 0.420 -3.009 6.629) 7.292 12.404 ( 0.599 12.765 6.294) 14.245 12.506 ( -1.903 -3.000 -1.698) 3.937 13.829 ( 5.604 -1.205 5.215) 7.749 14.095 ( 5.190 -3.084 0.308) 6.044 14.249 ( 6.139 -6.592 -1.027) 9.066 14.640 ( -5.339 5.577 -0.051) 7.720 15.385 ( -7.585 0.973 -11.072) 13.456 ======================= Grid point 132 (56/306) ======================= q-point: (-0.30 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -6.535 8.878 -0.437) 11.032 0.735 ( -5.481 8.908 4.189) 11.267 1.309 ( 1.859 15.568 -1.874) 15.790 1.445 ( -0.868 1.315 0.373) 1.620 1.668 ( 2.164 4.994 0.800) 5.501 1.786 ( -4.008 5.614 1.721) 7.109 1.929 ( -1.190 -0.222 1.482) 1.914 2.100 ( 0.786 -2.015 -2.139) 3.042 2.156 ( -0.523 -1.469 2.240) 2.729 2.346 ( 0.585 -3.193 0.948) 3.382 2.400 ( 0.027 -4.224 -0.987) 4.338 2.647 ( 1.071 -1.864 -4.896) 5.347 2.821 ( 1.773 -4.161 3.428) 5.675 2.968 ( 3.224 -2.054 -0.587) 3.868 3.386 ( -2.555 6.897 -0.297) 7.361 3.591 ( -3.268 -0.547 -1.745) 3.745 4.393 ( 6.403 -4.588 4.404) 9.025 4.622 ( -4.764 -5.524 -2.284) 7.643 8.716 ( -8.784 -6.558 15.363) 18.873 9.246 ( -2.606 3.483 -5.954) 7.374 9.640 ( 1.848 8.856 6.116) 10.920 11.634 ( 5.037 1.160 -5.119) 7.275 11.897 ( -4.884 -1.589 1.792) 5.439 12.256 ( -0.055 16.291 0.998) 16.322 12.588 ( -2.149 -10.690 1.494) 11.006 13.901 ( -1.182 0.934 0.295) 1.535 14.134 ( 2.667 -1.019 0.875) 2.986 14.390 ( 8.090 -2.171 0.999) 8.435 14.488 ( -7.335 5.623 -7.298) 11.776 15.275 ( 2.699 -1.689 -2.816) 4.251 ======================= Grid point 133 (57/306) ======================= q-point: (-0.20 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 3.464 8.517 7.920) 12.136 0.647 ( -0.958 9.663 7.995) 12.578 1.173 ( 6.483 15.803 5.829) 18.048 1.390 ( -2.446 4.896 -0.672) 5.514 1.649 ( 1.606 4.451 0.897) 4.817 1.741 ( -0.657 1.261 3.371) 3.659 1.923 ( -2.214 -0.314 0.687) 2.340 2.111 ( 0.718 -2.073 -2.083) 3.025 2.180 ( -0.643 -0.782 1.304) 1.651 2.366 ( -1.253 -2.546 -0.732) 2.931 2.464 ( 1.327 -3.382 0.978) 3.763 2.640 ( 1.250 -0.717 -2.258) 2.678 2.900 ( 2.221 -2.384 0.040) 3.258 3.023 ( 0.548 -5.060 -1.759) 5.385 3.186 ( -7.011 4.878 -7.461) 11.340 3.609 ( 2.656 2.525 1.786) 4.077 4.476 ( -5.811 -5.438 1.917) 8.187 4.731 ( 7.419 -7.120 4.653) 11.287 8.785 ( -16.721 -6.288 9.651) 20.305 9.093 ( 2.391 7.548 -3.883) 8.818 9.750 ( 1.986 1.119 18.665) 18.804 11.636 ( 6.780 0.530 -6.941) 9.717 11.815 ( -7.768 2.306 -0.492) 8.118 12.042 ( -5.507 12.924 -5.158) 14.965 12.685 ( -2.925 -9.986 -1.769) 10.555 13.811 ( -3.655 1.681 -5.353) 6.696 14.175 ( -4.546 9.975 -11.594) 15.956 14.283 ( 3.301 -3.671 8.025) 9.422 14.470 ( 3.764 0.294 -2.956) 4.795 15.421 ( 12.530 -3.638 5.480) 14.152 ======================= Grid point 134 (58/306) ======================= q-point: (-0.10 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -1.115 6.075 11.378) 12.947 0.624 ( 2.624 11.184 6.183) 13.046 1.273 ( 16.624 8.324 13.126) 22.758 1.291 ( -1.975 4.584 -1.293) 5.156 1.627 ( 2.309 5.945 3.059) 7.074 1.775 ( -0.735 -0.673 3.813) 3.941 1.901 ( -3.071 -0.336 0.285) 3.103 2.121 ( 0.379 -2.023 -2.136) 2.966 2.186 ( -0.145 -0.179 -0.162) 0.282 2.372 ( -1.068 -2.480 -0.991) 2.877 2.507 ( -0.315 -0.554 1.134) 1.301 2.649 ( 1.903 -0.576 -0.621) 2.083 2.903 ( -1.536 1.753 -4.966) 5.486 2.994 ( -7.758 -4.663 -1.192) 9.129 3.101 ( 5.372 -3.052 -6.580) 9.026 3.584 ( 0.982 6.267 -1.303) 6.476 4.513 ( -6.371 -8.710 4.981) 11.886 4.953 ( 6.100 -6.827 4.578) 10.236 8.626 ( -19.244 -2.324 -4.523) 19.904 9.147 ( 5.547 3.531 14.497) 15.919 9.967 ( -1.240 -2.059 20.693) 20.832 11.542 ( -4.136 2.739 -16.851) 17.566 11.706 ( -7.072 7.686 -1.146) 10.507 11.803 ( 5.192 7.556 0.032) 9.168 12.685 ( -3.960 -5.037 -8.260) 10.454 13.687 ( -3.038 0.898 -10.798) 11.254 13.917 ( -1.380 6.689 -7.123) 9.869 14.407 ( -2.004 2.658 -6.904) 7.664 14.530 ( 6.428 -6.371 13.639) 16.369 15.707 ( 15.646 -4.712 6.327) 17.523 ======================= Grid point 138 (59/306) ======================= q-point: ( 0.30 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -2.363 -0.000 4.399) 4.993 1.141 ( 6.028 0.000 5.919) 8.448 1.460 ( -0.295 -0.000 -1.346) 1.378 1.763 ( 8.032 0.000 -1.270) 8.132 1.766 ( -0.577 -0.000 0.686) 0.896 1.904 ( 5.818 0.000 3.977) 7.047 1.958 ( -4.410 -0.000 -1.656) 4.711 2.031 ( -0.412 -0.000 -0.953) 1.038 2.060 ( -0.104 -0.000 2.700) 2.702 2.145 ( -0.107 -0.000 -2.608) 2.610 2.332 ( -5.187 -0.000 0.679) 5.231 2.670 ( -12.925 -0.000 -2.032) 13.084 2.691 ( 1.322 0.000 6.645) 6.775 2.936 ( 0.921 0.000 -9.413) 9.458 3.083 ( 4.920 0.000 -2.741) 5.632 3.725 ( 12.900 0.000 5.717) 14.110 4.638 ( -11.977 -0.000 -1.092) 12.027 4.640 ( -8.047 -0.000 -3.999) 8.986 8.081 ( 0.186 0.000 9.985) 9.987 9.709 ( -3.360 -0.000 -12.841) 13.273 10.289 ( -5.374 -0.000 0.032) 5.374 11.282 ( 8.322 0.000 13.853) 16.161 11.548 ( 5.731 0.000 -1.083) 5.832 12.389 ( 1.838 0.000 1.662) 2.478 12.962 ( 6.974 0.000 -2.617) 7.449 13.172 ( 19.631 0.000 3.005) 19.860 13.824 ( 2.520 0.000 -0.397) 2.551 13.903 ( -1.094 -0.000 0.569) 1.233 15.057 ( -6.896 -0.000 -0.559) 6.919 15.831 ( -9.215 -0.000 -7.135) 11.654 ======================= Grid point 139 (60/306) ======================= q-point: (-0.60 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -3.792 1.556 2.893) 5.017 1.242 ( 3.269 0.652 2.825) 4.369 1.339 ( -8.658 2.553 -5.798) 10.728 1.758 ( 2.790 3.148 -1.716) 4.542 1.856 ( 4.990 -0.557 1.877) 5.360 1.930 ( 2.133 -1.617 -0.219) 2.685 1.955 ( 4.264 2.604 -2.249) 5.479 2.026 ( -0.015 -0.744 -0.985) 1.234 2.090 ( -0.162 1.714 1.602) 2.352 2.211 ( 1.090 -6.930 2.627) 7.491 2.274 ( -5.408 0.198 3.487) 6.438 2.504 ( -10.925 0.261 -0.476) 10.938 2.760 ( 0.886 0.414 1.276) 1.608 2.868 ( 2.101 -0.351 -5.145) 5.569 3.155 ( 6.371 -1.633 2.351) 6.985 3.904 ( 10.234 0.819 3.400) 10.815 4.375 ( -11.125 8.911 -3.271) 14.625 4.589 ( -9.619 -8.057 -4.495) 13.328 8.219 ( 0.118 -2.526 13.718) 13.949 9.541 ( -2.414 1.541 -11.166) 11.527 10.187 ( -4.494 4.363 -3.604) 7.226 11.504 ( 6.219 -0.898 10.392) 12.144 11.628 ( 5.121 -2.971 1.420) 6.088 12.386 ( -3.046 -0.340 -0.231) 3.073 12.952 ( 7.332 13.329 1.245) 15.264 13.484 ( 16.147 -9.528 2.380) 18.899 13.907 ( 7.052 -0.853 4.153) 8.228 13.919 ( -0.293 -4.154 0.080) 4.165 14.931 ( -7.900 3.246 -2.846) 9.003 15.636 ( -9.989 0.463 -8.591) 13.184 ======================= Grid point 140 (61/306) ======================= q-point: (-0.50 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -5.235 4.201 2.616) 7.204 1.070 ( -10.947 5.055 -6.795) 13.840 1.338 ( 2.542 -2.136 1.517) 3.651 1.717 ( 5.457 6.663 -4.893) 9.906 1.905 ( 2.670 5.535 2.299) 6.561 1.915 ( 0.247 1.622 -0.169) 1.649 2.005 ( -0.160 0.389 -0.437) 0.606 2.032 ( 1.412 -2.551 -0.552) 2.967 2.092 ( -0.446 0.025 2.238) 2.282 2.174 ( -3.328 -0.694 0.086) 3.400 2.333 ( -3.539 -2.697 0.411) 4.468 2.474 ( -1.674 -7.184 1.668) 7.563 2.735 ( -0.223 0.593 -0.877) 1.082 2.894 ( 2.763 -0.709 0.160) 2.857 3.312 ( 8.770 -1.992 6.270) 10.963 3.930 ( -3.712 8.055 -3.694) 9.608 4.202 ( 0.648 0.700 0.986) 1.372 4.523 ( -8.781 -7.285 -4.534) 12.278 8.399 ( -2.833 -4.886 15.801) 16.780 9.411 ( -0.440 2.605 -6.350) 6.878 10.023 ( -2.429 8.061 -5.721) 10.179 11.625 ( 4.963 -0.036 0.370) 4.977 11.756 ( 1.207 -4.649 5.616) 7.390 12.356 ( -3.622 -2.918 0.073) 4.651 12.852 ( 3.910 17.971 2.113) 18.513 13.769 ( 10.631 -5.503 4.357) 12.739 13.989 ( 0.859 -8.134 -2.115) 8.449 14.070 ( 7.896 -3.312 4.991) 9.911 14.766 ( -6.645 4.333 -3.204) 8.556 15.428 ( -7.723 2.019 -8.609) 11.741 ======================= Grid point 141 (62/306) ======================= q-point: (-0.40 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -5.388 6.894 -0.618) 8.772 0.912 ( -3.712 6.141 2.722) 7.675 1.399 ( 1.144 -2.600 0.477) 2.880 1.629 ( 6.079 10.979 -5.658) 13.766 1.839 ( 0.342 7.763 1.323) 7.882 1.918 ( -3.688 3.910 0.511) 5.399 1.929 ( -2.214 1.873 2.079) 3.568 2.057 ( 0.534 -1.574 -1.188) 2.043 2.122 ( -0.496 -1.196 3.017) 3.284 2.240 ( 3.558 -5.792 0.891) 6.856 2.311 ( -3.936 -3.243 -1.020) 5.201 2.529 ( 0.202 -7.257 -6.646) 9.843 2.773 ( -0.120 -0.529 7.558) 7.578 2.930 ( 1.878 -1.183 -0.541) 2.285 3.503 ( 9.015 -0.859 6.655) 11.239 3.652 ( -10.609 9.828 -7.976) 16.515 4.313 ( 6.740 -2.542 3.836) 8.161 4.470 ( -6.795 -7.375 -3.618) 10.661 8.561 ( -8.344 -6.230 15.727) 18.862 9.339 ( 1.574 3.968 -2.814) 5.112 9.861 ( 1.250 9.149 -3.012) 9.713 11.647 ( 3.993 0.045 -5.538) 6.828 11.839 ( -3.490 -3.324 3.828) 6.155 12.385 ( -2.002 -6.139 0.871) 6.516 12.677 ( 0.319 19.147 1.636) 19.219 13.908 ( 0.416 -0.068 1.803) 1.852 14.077 ( 3.656 -5.709 0.512) 6.798 14.238 ( 3.812 -7.880 -0.054) 8.754 14.623 ( -3.192 5.065 -3.907) 7.149 15.283 ( -0.033 2.035 -3.323) 3.897 ======================= Grid point 142 (63/306) ======================= q-point: (-0.30 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 2.629 7.841 5.765) 10.081 0.850 ( 0.936 7.737 6.211) 9.966 1.416 ( -2.318 -1.297 -1.330) 2.970 1.519 ( 8.045 13.205 -2.355) 15.641 1.782 ( -0.145 6.380 4.000) 7.532 1.823 ( -2.564 4.908 1.203) 5.666 1.916 ( -1.833 -0.055 0.137) 1.839 2.068 ( 0.437 -1.600 -1.364) 2.147 2.158 ( -0.735 -1.077 2.508) 2.827 2.298 ( -2.541 -3.244 -0.837) 4.205 2.361 ( 2.968 -5.263 1.418) 6.206 2.550 ( 1.943 -7.081 -7.130) 10.235 2.849 ( -2.011 -1.313 6.615) 7.037 2.953 ( 0.324 -1.433 -0.755) 1.652 3.344 ( -8.857 7.708 -9.245) 14.944 3.656 ( 8.183 2.364 4.849) 9.801 4.363 ( -7.587 -4.088 -0.040) 8.619 4.565 ( 8.296 -7.340 2.867) 11.442 8.642 ( -15.045 -6.027 12.247) 20.314 9.276 ( 4.139 7.679 -2.212) 9.000 9.830 ( 5.054 4.910 6.395) 9.516 11.618 ( 3.133 -1.974 -10.965) 11.574 11.837 ( -5.562 0.010 3.932) 6.812 12.364 ( -5.229 7.884 -4.949) 10.677 12.532 ( 0.404 3.424 3.426) 4.861 13.845 ( -4.636 1.343 -4.155) 6.368 14.204 ( -1.189 -3.144 3.658) 4.968 14.289 ( -0.793 -5.081 -5.769) 7.729 14.500 ( 3.132 6.122 -4.136) 8.024 15.351 ( 9.436 -1.638 5.406) 10.998 ======================= Grid point 143 (64/306) ======================= q-point: (-0.20 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -0.790 7.091 7.183) 10.124 0.870 ( 4.434 9.832 6.438) 12.561 1.360 ( -4.453 1.102 -1.839) 4.943 1.493 ( 12.999 10.027 1.071) 16.452 1.774 ( 2.069 5.285 2.632) 6.256 1.787 ( -0.391 2.727 7.373) 7.871 1.892 ( -2.431 -0.200 -0.207) 2.448 2.077 ( 0.444 -1.701 -1.615) 2.388 2.177 ( -0.550 -0.606 1.028) 1.314 2.304 ( -1.647 -3.377 -0.946) 3.875 2.456 ( 1.604 -3.644 1.729) 4.340 2.596 ( 3.139 -5.331 -4.622) 7.722 2.863 ( -8.312 -4.455 -0.368) 9.438 2.953 ( -0.267 1.980 1.820) 2.702 3.120 ( -0.458 4.245 -8.552) 9.558 3.724 ( 5.730 5.779 1.260) 8.235 4.323 ( -9.963 -7.168 1.494) 12.365 4.796 ( 9.240 -6.946 4.345) 12.350 8.573 ( -18.103 -2.623 3.098) 18.552 9.268 ( 6.524 6.831 6.816) 11.649 9.962 ( 5.499 0.820 12.084) 13.301 11.523 ( -2.123 -3.056 -16.111) 16.536 11.816 ( -3.935 2.749 5.141) 7.033 12.092 ( -3.107 14.759 -5.649) 16.105 12.566 ( -0.633 -3.480 -1.023) 3.682 13.725 ( -3.951 1.996 -6.407) 7.787 14.050 ( -6.569 2.932 -9.824) 12.176 14.395 ( -0.590 -5.236 -0.053) 5.270 14.475 ( 6.407 3.547 3.554) 8.140 15.595 ( 12.661 -4.342 8.021) 15.604 ======================= Grid point 144 (65/306) ======================= q-point: (-0.10 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.094 5.214 8.668) 10.116 0.832 ( 1.452 10.468 5.217) 11.785 1.266 ( -4.454 1.249 -1.903) 5.002 1.573 ( 9.847 3.908 0.643) 10.614 1.761 ( 0.625 2.993 1.067) 3.239 1.851 ( 0.369 1.426 0.160) 1.481 1.895 ( 3.025 3.609 11.912) 12.809 2.085 ( 0.465 -1.509 -1.683) 2.308 2.187 ( 1.401 -0.117 -0.195) 1.419 2.317 ( -1.120 -3.138 -0.797) 3.426 2.514 ( -0.240 -0.743 1.848) 2.006 2.641 ( 2.646 -2.700 -2.419) 4.488 2.769 ( -8.838 -3.715 -2.854) 10.003 2.948 ( 1.177 1.562 0.255) 1.973 3.058 ( 2.728 -1.248 -6.112) 6.808 3.672 ( 2.288 9.395 -2.936) 10.106 4.352 ( -9.001 -11.583 4.745) 15.418 4.996 ( 5.817 -4.761 3.165) 8.156 8.384 ( -15.239 0.869 -1.872) 15.379 9.398 ( 5.205 2.208 14.734) 15.781 10.142 ( 4.185 -0.157 11.967) 12.679 11.323 ( -5.437 0.060 -17.287) 18.122 11.688 ( -8.243 7.369 -1.669) 11.182 11.998 ( 10.166 6.787 2.067) 12.397 12.556 ( -0.502 -1.404 -4.740) 4.969 13.554 ( -3.365 3.881 -12.300) 13.329 13.913 ( -0.523 2.238 -2.565) 3.444 14.315 ( -4.131 1.300 -7.677) 8.815 14.653 ( 4.199 -4.661 10.983) 12.648 15.860 ( 10.398 -4.821 5.526) 12.724 ======================= Grid point 149 (66/306) ======================= q-point: (-0.60 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -3.933 -0.000 2.417) 4.617 1.134 ( -12.120 -0.000 -7.858) 14.444 1.308 ( 2.723 0.000 1.639) 3.178 1.836 ( 5.207 0.000 0.023) 5.207 1.903 ( 6.278 0.000 -2.026) 6.597 1.939 ( 1.156 0.000 0.727) 1.365 1.988 ( 3.228 0.000 -3.386) 4.678 2.021 ( -0.912 -0.000 1.342) 1.623 2.122 ( 0.540 0.000 -0.459) 0.708 2.174 ( -3.079 -0.000 -0.640) 3.145 2.309 ( 0.324 0.000 7.609) 7.616 2.363 ( -11.630 -0.000 0.466) 11.639 2.742 ( -0.002 -0.000 -2.353) 2.353 2.885 ( 2.646 0.000 0.430) 2.681 3.284 ( 9.785 0.000 5.821) 11.385 4.051 ( 8.365 0.000 2.430) 8.711 4.227 ( -14.996 -0.000 -6.614) 16.390 4.402 ( -5.832 -0.000 -3.006) 6.561 8.340 ( -2.600 -0.000 15.530) 15.746 9.443 ( 0.199 0.000 -7.070) 7.073 10.123 ( -2.766 -0.000 -5.640) 6.281 11.640 ( 2.724 0.000 5.261) 5.925 11.676 ( 4.265 0.000 1.742) 4.607 12.326 ( -4.429 -0.000 -0.784) 4.498 13.140 ( 5.403 0.000 1.915) 5.732 13.608 ( 12.037 0.000 2.376) 12.269 13.897 ( -0.225 -0.000 1.137) 1.159 14.043 ( 7.824 0.000 4.987) 9.278 14.818 ( -7.200 -0.000 -4.698) 8.597 15.454 ( -7.340 -0.000 -7.589) 10.557 ======================= Grid point 151 (67/306) ======================= q-point: (-0.50 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -4.990 2.751 -0.804) 5.754 1.011 ( -2.433 2.253 1.754) 3.751 1.348 ( 0.991 -1.352 0.344) 1.712 1.839 ( 6.825 6.853 -3.188) 10.184 1.920 ( 0.111 1.141 -0.866) 1.437 1.979 ( 1.345 1.793 -2.180) 3.126 2.012 ( 1.334 -1.107 0.571) 1.825 2.022 ( 1.135 -0.187 0.837) 1.423 2.120 ( 0.262 0.385 1.865) 1.922 2.131 ( -2.380 -0.860 0.390) 2.560 2.251 ( -7.236 -1.296 0.472) 7.366 2.368 ( -2.448 -5.653 -3.073) 6.884 2.767 ( 0.739 -0.093 6.009) 6.055 2.913 ( 1.538 -0.352 -0.100) 1.581 3.461 ( 6.669 -1.348 5.795) 8.937 3.920 ( -6.863 11.232 -5.709) 14.348 4.214 ( 4.194 -7.675 0.317) 8.752 4.337 ( -4.745 -2.188 -1.447) 5.422 8.454 ( -7.797 -2.539 15.847) 17.843 9.409 ( 3.005 1.708 -1.685) 3.845 10.021 ( 0.776 3.929 -6.768) 7.865 11.650 ( 0.186 0.410 -4.572) 4.594 11.758 ( 0.444 -2.805 3.708) 4.670 12.300 ( -2.014 -1.551 1.904) 3.176 13.095 ( 1.208 14.462 0.437) 14.519 13.814 ( 5.888 -11.801 1.840) 13.316 13.912 ( -0.930 -0.408 0.983) 1.414 14.153 ( 2.532 -0.966 1.947) 3.337 14.705 ( -2.217 1.825 -3.251) 4.337 15.331 ( -0.780 1.423 -4.561) 4.841 ======================= Grid point 152 (68/306) ======================= q-point: (-0.40 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 2.139 4.990 4.492) 7.047 0.995 ( 2.872 4.555 5.169) 7.464 1.365 ( -1.499 -2.227 -0.773) 2.793 1.789 ( 8.142 9.554 -5.189) 13.583 1.882 ( -2.229 1.565 -0.203) 2.731 1.930 ( -2.895 3.872 0.722) 4.888 1.961 ( -0.746 4.479 0.049) 4.541 2.042 ( -0.330 -0.438 0.486) 0.732 2.138 ( -1.317 -0.339 3.550) 3.802 2.205 ( -1.725 -5.512 -0.325) 5.784 2.241 ( 3.208 -4.211 0.972) 5.383 2.364 ( -1.653 -7.891 -6.585) 10.409 2.830 ( -2.060 -0.553 4.528) 5.006 2.936 ( 1.121 -0.264 1.574) 1.951 3.464 ( -11.200 1.902 -1.948) 11.526 3.787 ( 10.955 9.344 1.327) 14.460 4.269 ( -6.824 -5.317 -3.259) 9.244 4.405 ( 8.272 -5.356 3.769) 10.551 8.520 ( -13.832 -4.048 14.408) 20.379 9.425 ( 5.471 4.783 1.496) 7.419 9.945 ( 4.921 4.336 -3.805) 7.583 11.565 ( -1.668 -2.168 -11.916) 12.226 11.815 ( -2.780 -1.620 5.425) 6.307 12.336 ( -0.240 -2.133 1.773) 2.784 12.890 ( -2.089 18.177 -0.670) 18.309 13.865 ( -5.021 -0.399 -2.371) 5.567 14.033 ( 2.055 -12.587 1.099) 12.801 14.149 ( -5.144 -2.258 -2.016) 5.969 14.659 ( 4.190 5.570 -1.278) 7.086 15.342 ( 7.891 0.375 1.419) 8.026 ======================= Grid point 153 (69/306) ======================= q-point: (-0.30 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.918 5.672 4.316) 7.186 1.074 ( 7.245 7.670 6.989) 12.655 1.346 ( -3.694 -1.796 -1.600) 4.408 1.715 ( 7.130 8.764 -5.060) 12.379 1.846 ( -2.695 1.389 0.211) 3.039 1.874 ( -0.445 3.413 6.140) 7.039 1.924 ( 1.675 3.345 -0.268) 3.750 2.047 ( -0.505 -0.767 -0.042) 0.920 2.158 ( -1.673 -1.134 2.014) 2.853 2.222 ( -1.865 -3.475 0.018) 3.944 2.354 ( 1.435 -5.024 0.497) 5.248 2.414 ( 4.383 -8.863 -4.564) 10.890 2.799 ( -6.942 -1.736 -2.244) 7.500 2.976 ( 1.305 0.208 2.744) 3.045 3.268 ( -6.916 7.029 -1.504) 9.975 3.855 ( 9.313 5.689 2.426) 11.180 4.199 ( -8.732 -3.392 -2.248) 9.634 4.629 ( 9.905 -7.391 3.871) 12.951 8.504 ( -17.669 -3.074 10.586) 20.826 9.445 ( 7.202 7.758 2.670) 10.917 9.983 ( 7.279 0.725 2.774) 7.823 11.434 ( -3.238 -4.045 -15.554) 16.394 11.843 ( -4.529 -0.354 6.190) 7.678 12.329 ( -1.269 3.289 -2.730) 4.458 12.665 ( -1.552 13.913 0.666) 14.015 13.767 ( -5.474 1.239 -3.425) 6.575 14.028 ( -7.819 -4.098 -8.175) 12.031 14.209 ( -1.832 -9.842 2.298) 10.272 14.634 ( 6.900 8.470 0.288) 10.929 15.518 ( 12.414 -2.441 5.582) 13.829 ======================= Grid point 154 (70/306) ======================= q-point: (-0.20 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -0.705 5.064 5.292) 7.358 1.067 ( 0.571 9.514 3.795) 10.259 1.283 ( -5.486 0.127 -2.458) 6.013 1.666 ( 3.187 4.036 -2.000) 5.518 1.801 ( -2.335 0.761 -0.504) 2.507 1.906 ( 3.042 3.864 -0.070) 4.918 1.979 ( 6.938 2.412 10.007) 12.414 2.049 ( -0.085 -1.497 -0.892) 1.745 2.172 ( -0.256 -1.391 1.053) 1.763 2.243 ( -0.650 -2.840 -0.528) 2.961 2.425 ( 1.237 -6.622 -1.452) 6.892 2.528 ( 2.668 -5.689 -0.755) 6.328 2.701 ( -5.949 -2.091 -3.826) 7.376 3.009 ( 1.385 0.015 0.920) 1.663 3.120 ( -2.356 8.449 -0.410) 8.781 3.889 ( 7.082 8.379 -0.265) 10.975 4.121 ( -11.467 -7.176 0.439) 13.535 4.861 ( 8.726 -6.818 3.232) 11.535 8.399 ( -16.534 0.232 6.027) 17.600 9.486 ( 5.944 5.442 6.154) 10.139 10.124 ( 7.467 -1.712 5.267) 9.297 11.275 ( -4.507 -3.400 -15.518) 16.513 11.812 ( -8.867 2.555 3.150) 9.751 12.211 ( 3.967 9.959 -1.825) 10.875 12.568 ( -0.138 4.372 0.362) 4.389 13.635 ( -5.231 2.339 -7.033) 9.071 13.921 ( -3.779 -1.686 -4.124) 5.842 14.268 ( -4.050 -5.923 -2.425) 7.574 14.650 ( 5.768 4.742 4.146) 8.540 15.757 ( 11.510 -3.908 5.238) 13.236 ======================= Grid point 155 (71/306) ======================= q-point: (-0.10 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.035 3.274 6.107) 6.929 0.993 ( -1.335 7.895 4.561) 9.215 1.193 ( -4.780 -0.365 -2.040) 5.210 1.646 ( -0.104 1.078 -0.172) 1.097 1.763 ( -1.996 0.051 -0.774) 2.141 1.897 ( 4.021 4.460 -0.309) 6.013 2.039 ( -0.637 -0.014 0.800) 1.023 2.100 ( 2.131 1.246 2.231) 3.327 2.239 ( 5.282 0.545 1.691) 5.573 2.262 ( -0.141 -3.717 0.491) 3.752 2.498 ( 0.170 -2.602 -1.097) 2.829 2.564 ( -1.495 -9.089 -3.223) 9.758 2.689 ( 1.232 1.422 3.156) 3.674 3.002 ( -0.968 5.725 -1.565) 6.014 3.026 ( 1.468 -0.279 -1.002) 1.799 3.798 ( 3.478 12.492 -4.205) 13.632 4.145 ( -9.691 -12.700 4.777) 16.674 5.032 ( 4.919 -4.171 1.417) 6.603 8.259 ( -12.008 3.147 4.292) 13.135 9.577 ( 2.085 0.017 8.395) 8.650 10.263 ( 5.843 -2.226 0.680) 6.289 11.119 ( -2.964 -0.500 -9.744) 10.197 11.662 ( -7.717 5.846 0.297) 9.686 12.204 ( 8.079 5.711 1.920) 10.078 12.534 ( 0.801 1.562 -1.089) 2.066 13.465 ( -1.927 4.418 -9.052) 10.256 13.899 ( -0.583 -1.217 -0.081) 1.352 14.215 ( -3.068 0.546 -4.825) 5.744 14.734 ( 1.554 -2.123 6.228) 6.761 15.950 ( 7.117 -3.593 1.988) 8.216 ======================= Grid point 161 (72/306) ======================= q-point: ( 0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 1.910 0.000 4.031) 4.460 1.050 ( 3.901 0.000 4.993) 6.336 1.336 ( -1.441 0.000 -0.762) 1.630 1.870 ( -1.611 0.000 -1.500) 2.201 1.961 ( 1.885 -0.000 -4.594) 4.966 1.997 ( 2.527 -0.000 -0.353) 2.551 2.018 ( 5.350 -0.000 -0.998) 5.442 2.061 ( 1.125 -0.000 1.326) 1.739 2.076 ( -2.122 0.000 -1.694) 2.715 2.149 ( -4.384 0.000 3.593) 5.668 2.184 ( 0.470 0.000 1.157) 1.249 2.244 ( -4.916 0.000 -4.415) 6.608 2.823 ( -1.714 0.000 3.099) 3.541 2.934 ( 1.253 0.000 2.365) 2.677 3.476 ( -9.113 0.000 2.513) 9.453 3.981 ( 10.370 -0.000 -0.872) 10.406 4.126 ( -3.160 0.000 -4.230) 5.280 4.351 ( 3.588 0.000 3.548) 5.046 8.471 ( -13.429 0.000 15.227) 20.303 9.483 ( 5.983 0.000 3.298) 6.831 10.000 ( 4.712 0.000 -8.005) 9.289 11.537 ( -3.970 0.000 -11.713) 12.367 11.791 ( -1.223 0.000 5.366) 5.504 12.314 ( 0.492 0.000 3.530) 3.564 13.173 ( -1.913 0.000 -2.440) 3.100 13.758 ( -2.404 0.000 -0.094) 2.406 13.917 ( -1.342 0.000 1.534) 2.039 14.122 ( -5.405 0.000 -2.548) 5.976 14.726 ( 5.317 0.000 0.741) 5.368 15.349 ( 7.102 0.000 -0.899) 7.159 ======================= Grid point 163 (73/306) ======================= q-point: (-0.40 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -1.234 2.326 2.947) 3.952 1.210 ( 10.479 3.566 7.800) 13.541 1.302 ( -3.380 -1.562 -1.418) 3.985 1.829 ( -2.665 0.463 -0.829) 2.829 1.909 ( 2.273 2.591 -6.894) 7.708 1.943 ( -2.875 4.984 -0.557) 5.781 2.004 ( 0.216 1.990 -0.071) 2.003 2.058 ( -0.084 1.968 1.649) 2.569 2.105 ( -2.737 -3.670 1.268) 4.751 2.168 ( 0.667 -1.133 1.912) 2.321 2.203 ( -1.655 -6.104 -2.416) 6.770 2.276 ( 7.878 -2.952 1.644) 8.572 2.770 ( -6.344 -0.695 -3.966) 7.514 2.975 ( 1.444 -0.098 1.494) 2.080 3.386 ( -9.583 2.646 7.080) 12.205 3.986 ( 0.479 4.677 -3.078) 5.619 4.153 ( 6.666 -1.097 -1.893) 7.016 4.476 ( 7.046 -4.689 4.185) 9.442 8.448 ( -17.306 -1.411 14.531) 22.642 9.589 ( 7.659 3.801 4.691) 9.752 9.990 ( 7.472 -0.039 -6.864) 10.147 11.361 ( -4.685 -1.854 -14.530) 15.379 11.821 ( -4.661 -0.881 6.410) 7.975 12.357 ( 1.339 0.420 2.141) 2.560 13.029 ( -2.974 13.140 -2.227) 13.655 13.718 ( -9.205 -6.553 -4.445) 12.142 13.920 ( -2.250 -1.920 -1.033) 3.133 14.041 ( -6.073 -3.608 0.509) 7.083 14.794 ( 7.219 4.183 1.282) 8.442 15.477 ( 12.319 -1.044 2.055) 12.533 ======================= Grid point 164 (74/306) ======================= q-point: (-0.30 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -1.858 3.256 2.821) 4.691 1.215 ( -5.547 1.014 -1.024) 5.731 1.322 ( 2.989 5.512 2.329) 6.689 1.756 ( -1.462 3.076 -4.187) 5.397 1.826 ( -4.058 2.247 0.048) 4.639 1.947 ( 2.803 -4.469 0.857) 5.344 1.992 ( 1.964 2.426 0.368) 3.143 2.052 ( -0.412 0.758 2.146) 2.312 2.128 ( -1.766 -1.634 2.048) 3.160 2.200 ( 2.558 -1.202 -0.360) 2.849 2.259 ( -0.212 -5.695 0.183) 5.702 2.431 ( 8.400 -2.827 1.441) 8.979 2.652 ( -5.325 -1.965 -6.058) 8.302 2.997 ( 1.693 -0.541 -1.236) 2.165 3.327 ( -5.783 7.736 9.035) 13.226 3.909 ( -7.311 -4.062 -2.165) 8.639 4.170 ( 7.319 8.537 -2.230) 11.464 4.688 ( 9.014 -7.795 3.202) 12.340 8.394 ( -17.812 -0.496 13.626) 22.431 9.638 ( 6.863 7.041 0.707) 9.858 10.057 ( 8.208 -3.899 -3.105) 9.603 11.196 ( -4.145 -2.855 -12.818) 13.771 11.824 ( -7.607 -0.666 5.935) 9.672 12.361 ( 1.130 3.213 0.074) 3.406 12.814 ( -2.049 15.028 -0.105) 15.167 13.612 ( -10.331 -5.653 -6.820) 13.608 13.877 ( -2.354 -0.445 -1.586) 2.873 14.086 ( -4.237 -8.115 2.810) 9.576 14.812 ( 6.213 7.311 0.267) 9.599 15.678 ( 12.956 -2.861 2.844) 13.569 ======================= Grid point 165 (75/306) ======================= q-point: (-0.20 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -2.634 2.229 3.158) 4.677 1.111 ( -7.983 0.654 -1.217) 8.101 1.254 ( -1.702 7.042 0.110) 7.246 1.680 ( -2.274 1.769 -0.817) 2.995 1.767 ( -2.767 0.520 -0.538) 2.866 1.976 ( -0.073 -0.083 -0.895) 0.902 2.018 ( 0.372 -0.489 -0.342) 0.703 2.115 ( 2.169 -0.289 2.584) 3.386 2.163 ( 1.440 -4.482 1.934) 5.089 2.250 ( 5.323 0.375 0.702) 5.382 2.327 ( -0.051 -6.890 -0.548) 6.912 2.484 ( -1.571 -0.683 -2.245) 2.824 2.670 ( 7.779 -2.567 1.403) 8.311 3.005 ( 1.930 -0.696 -2.812) 3.481 3.222 ( -5.826 10.717 4.489) 12.998 3.884 ( -10.896 -9.790 2.552) 14.869 4.095 ( 6.841 12.842 -3.690) 15.011 4.899 ( 7.514 -7.075 1.493) 10.428 8.324 ( -14.664 2.223 12.699) 19.525 9.622 ( 2.903 3.950 -1.440) 5.110 10.166 ( 6.754 -6.011 -6.438) 11.100 11.092 ( -1.684 -1.408 -5.080) 5.533 11.763 ( -9.409 2.422 3.836) 10.445 12.334 ( 2.213 4.505 0.896) 5.099 12.655 ( -0.865 9.876 0.646) 9.935 13.495 ( -6.493 -2.955 -5.945) 9.286 13.867 ( 0.048 -0.679 0.453) 0.818 14.146 ( -3.491 -5.963 1.406) 7.052 14.788 ( 3.448 6.066 0.065) 6.978 15.872 ( 9.914 -3.195 0.996) 10.464 ======================= Grid point 166 (76/306) ======================= q-point: (-0.10 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -3.153 -0.368 4.322) 5.363 1.011 ( -7.632 -1.139 -0.251) 7.721 1.170 ( -1.049 4.750 1.368) 5.053 1.637 ( -1.902 0.736 -0.268) 2.057 1.743 ( -0.584 0.070 0.235) 0.634 1.966 ( 0.093 -0.018 -1.010) 1.015 2.017 ( -0.558 -0.585 -0.368) 0.888 2.129 ( -0.459 0.476 1.023) 1.218 2.222 ( 2.301 -0.701 -2.358) 3.369 2.317 ( 1.183 -0.843 1.548) 2.123 2.413 ( 0.342 -8.154 -2.344) 8.491 2.475 ( 3.430 -1.663 -1.181) 3.991 2.800 ( 4.393 2.562 4.561) 6.831 3.000 ( 1.557 0.522 -2.702) 3.162 3.068 ( -4.611 5.811 1.068) 7.495 3.907 ( -5.962 -2.363 2.804) 6.999 3.997 ( 2.465 4.622 -1.261) 5.388 5.037 ( 3.676 -4.179 -0.827) 5.627 8.266 ( -9.401 4.989 12.516) 16.430 9.597 ( -2.487 -2.066 -1.600) 3.607 10.193 ( 3.544 -6.442 -14.883) 16.600 11.106 ( 3.051 1.003 5.891) 6.710 11.655 ( -6.468 4.401 3.016) 8.384 12.328 ( 0.848 2.572 1.805) 3.255 12.573 ( 0.147 4.433 -0.123) 4.437 13.431 ( 1.021 0.798 -2.098) 2.466 13.883 ( 0.217 -0.512 0.011) 0.556 14.174 ( -0.148 -0.903 0.761) 1.191 14.765 ( -0.864 0.871 0.682) 1.404 15.982 ( 4.538 -2.076 -2.618) 5.635 ======================= Grid point 173 (77/306) ======================= q-point: (-0.40 -0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -2.542 -0.000 2.117) 3.308 1.209 ( -6.462 -0.000 -2.691) 7.000 1.417 ( 7.062 0.000 4.694) 8.480 1.809 ( -2.497 -0.000 2.545) 3.565 1.820 ( -2.450 -0.000 -9.725) 10.029 1.922 ( -5.134 -0.000 -1.739) 5.421 1.995 ( -2.156 -0.000 2.207) 3.085 2.040 ( -0.806 -0.000 0.009) 0.806 2.113 ( -1.068 -0.000 2.580) 2.792 2.193 ( 0.897 0.000 3.251) 3.372 2.200 ( 5.203 0.000 0.484) 5.225 2.397 ( 12.431 0.000 1.855) 12.568 2.626 ( -6.306 -0.000 -7.109) 9.503 2.990 ( 1.669 0.000 -1.390) 2.172 3.426 ( -6.876 -0.000 14.449) 16.002 3.854 ( -9.690 -0.000 -7.568) 12.295 4.313 ( 14.659 0.000 -2.440) 14.861 4.558 ( 6.065 0.000 4.222) 7.390 8.387 ( -18.198 -0.000 16.521) 24.579 9.748 ( 7.165 0.000 2.498) 7.588 9.987 ( 8.265 0.000 -10.547) 13.399 11.161 ( -4.182 -0.000 -11.265) 12.016 11.812 ( -7.306 -0.000 6.800) 9.981 12.396 ( 0.860 0.000 1.538) 1.762 13.074 ( -1.004 -0.000 -0.110) 1.010 13.460 ( -14.009 -0.000 -8.487) 16.379 13.908 ( -1.130 -0.000 1.066) 1.553 13.959 ( -5.316 -0.000 3.355) 6.286 14.910 ( 6.164 0.000 0.261) 6.170 15.640 ( 13.660 0.000 1.235) 13.715 ======================= Grid point 174 (78/306) ======================= q-point: (-0.30 -0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -4.748 0.979 1.234) 5.003 1.093 ( -9.002 -0.981 -3.352) 9.656 1.437 ( -0.735 6.752 0.906) 6.852 1.703 ( -2.840 -0.471 -4.887) 5.672 1.799 ( -4.225 1.875 0.199) 4.626 1.868 ( -3.968 -4.838 -0.298) 6.264 2.020 ( -2.165 -3.337 -0.138) 3.980 2.055 ( 4.124 -0.104 2.405) 4.775 2.128 ( -0.894 0.063 2.555) 2.707 2.241 ( 1.013 -0.655 3.374) 3.583 2.268 ( 4.974 0.044 0.637) 5.015 2.498 ( 0.318 1.554 -4.366) 4.645 2.599 ( 11.981 -2.913 1.440) 12.414 2.993 ( 1.791 -0.276 -2.234) 2.876 3.448 ( -6.944 7.956 9.856) 14.445 3.689 ( -11.678 -6.905 -3.313) 13.965 4.367 ( 10.505 9.459 -4.114) 14.722 4.721 ( 7.345 -7.348 2.245) 10.629 8.358 ( -16.643 0.673 19.036) 25.295 9.746 ( 3.378 5.734 -7.700) 10.177 10.008 ( 7.100 -6.506 -11.927) 15.329 11.067 ( -0.866 -0.619 -1.607) 1.927 11.786 ( -8.614 0.135 6.486) 10.784 12.400 ( -1.112 1.361 1.406) 2.251 12.963 ( -3.092 15.001 0.154) 15.317 13.313 ( -9.520 -11.950 -5.508) 16.241 13.887 ( -0.344 2.125 1.560) 2.658 14.001 ( -2.909 -5.285 5.038) 7.859 14.933 ( 3.937 4.450 -2.119) 6.308 15.808 ( 12.108 -1.878 -0.546) 12.265 ======================= Grid point 175 (79/306) ======================= q-point: (-0.20 -0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -6.974 -0.595 1.372) 7.132 0.964 ( -10.278 -2.170 -3.026) 10.931 1.326 ( -2.788 7.800 0.747) 8.316 1.653 ( -2.424 -0.051 -0.926) 2.595 1.743 ( -1.564 -0.019 -0.666) 1.700 1.876 ( -4.549 -5.403 -0.637) 7.092 2.009 ( -2.233 -2.064 -2.199) 3.753 2.135 ( -0.561 -0.010 1.897) 1.978 2.164 ( 4.542 -2.882 1.025) 5.476 2.285 ( 0.125 -0.293 2.372) 2.393 2.329 ( 3.986 -0.463 0.830) 4.097 2.473 ( 3.849 0.651 -2.084) 4.425 2.798 ( 11.618 -1.220 3.813) 12.289 2.994 ( 2.083 -0.388 -2.666) 3.405 3.255 ( -11.198 8.103 -3.127) 14.171 3.704 ( -9.151 -7.991 8.797) 15.000 4.290 ( 7.859 13.029 -5.311) 16.116 4.900 ( 6.133 -7.333 -0.406) 9.568 8.364 ( -12.865 3.099 20.865) 24.708 9.600 ( -1.782 2.232 -11.789) 12.130 10.018 ( 4.670 -7.936 -17.252) 19.555 11.118 ( 2.996 0.231 7.851) 8.406 11.734 ( -8.267 2.132 5.581) 10.200 12.373 ( -3.839 1.335 1.909) 4.490 12.745 ( -4.685 9.883 -1.825) 11.088 13.358 ( -0.405 -6.772 2.272) 7.154 13.887 ( 0.612 0.678 0.674) 1.135 14.091 ( -0.770 -4.727 5.673) 7.424 14.866 ( 0.933 6.097 -4.182) 7.452 15.934 ( 8.201 -2.069 -3.590) 9.188 ======================= Grid point 176 (80/306) ======================= q-point: (-0.10 -0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -9.038 -4.508 -2.476) 10.399 0.878 ( -8.118 -3.934 3.457) 9.661 1.240 ( -1.235 4.935 2.416) 5.632 1.624 ( -0.185 0.535 -1.055) 1.197 1.743 ( -0.068 -1.514 -0.371) 1.560 1.879 ( -3.773 -4.629 -0.466) 5.990 1.971 ( -4.686 -3.246 -3.781) 6.840 2.138 ( -0.674 0.959 1.665) 2.036 2.223 ( 1.183 -1.792 -2.791) 3.521 2.298 ( 0.983 1.489 0.948) 2.021 2.393 ( 3.067 -1.754 1.163) 3.719 2.521 ( 6.484 0.383 -0.019) 6.496 2.896 ( -0.182 4.613 -0.601) 4.655 2.986 ( -3.945 0.889 -1.758) 4.409 3.078 ( 2.699 0.101 1.159) 2.939 3.794 ( -7.818 -8.100 9.686) 14.851 4.163 ( 7.218 13.826 -5.592) 16.569 5.005 ( 2.661 -4.268 -3.063) 5.889 8.401 ( -7.813 6.165 21.237) 23.453 9.450 ( -6.308 -3.849 -9.585) 12.103 9.963 ( 2.775 -7.444 -19.628) 21.175 11.265 ( 5.561 0.059 11.224) 12.526 11.670 ( -5.328 3.218 4.596) 7.737 12.303 ( -8.597 -0.614 -0.147) 8.620 12.634 ( 0.168 5.024 1.757) 5.325 13.483 ( 5.478 -1.601 6.301) 8.501 13.889 ( 0.562 0.327 -0.191) 0.678 14.202 ( 2.875 -2.437 5.295) 6.499 14.747 ( -3.055 3.551 -4.870) 6.757 15.957 ( 2.547 -0.370 -7.751) 8.167 ======================= Grid point 184 (81/306) ======================= q-point: (-0.30 -0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -8.460 -0.000 0.300) 8.466 0.932 ( -11.056 -0.000 -3.790) 11.688 1.467 ( -3.719 -0.000 0.756) 3.795 1.607 ( -2.261 -0.000 -3.732) 4.363 1.753 ( -5.527 -0.000 -1.789) 5.809 1.802 ( -1.814 -0.000 1.528) 2.372 1.960 ( -3.658 -0.000 -1.389) 3.913 2.126 ( 3.817 0.000 2.183) 4.397 2.150 ( -0.355 -0.000 2.612) 2.636 2.287 ( 1.481 0.000 3.922) 4.192 2.324 ( 3.424 0.000 0.244) 3.433 2.484 ( 4.277 0.000 -2.951) 5.196 2.779 ( 14.120 0.000 3.591) 14.570 2.989 ( 1.766 0.000 -2.398) 2.978 3.374 ( -14.784 -0.000 -10.794) 18.305 3.590 ( -6.559 -0.000 15.362) 16.704 4.494 ( 9.443 0.000 -7.161) 11.851 4.764 ( 6.082 0.000 1.442) 6.251 8.400 ( -14.539 -0.000 24.794) 28.743 9.653 ( -2.535 -0.000 -18.131) 18.307 9.896 ( 6.412 0.000 -16.304) 17.519 11.121 ( 2.853 0.000 8.656) 9.114 11.757 ( -8.231 -0.000 6.830) 10.696 12.389 ( -5.298 -0.000 2.096) 5.698 12.926 ( -13.315 -0.000 -8.423) 15.756 13.214 ( 5.328 0.000 9.317) 10.733 13.900 ( -1.139 -0.000 0.306) 1.179 14.024 ( 0.551 0.000 7.654) 7.674 14.954 ( 1.267 0.000 -5.209) 5.361 15.904 ( 9.988 0.000 -4.210) 10.839 ======================= Grid point 185 (82/306) ======================= q-point: (-0.20 -0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -11.429 -2.168 -3.239) 12.075 0.810 ( -11.279 -1.691 1.192) 11.467 1.373 ( -4.482 5.746 0.523) 7.306 1.601 ( -1.128 -3.977 -0.787) 4.208 1.687 ( -2.766 -0.737 -2.227) 3.627 1.805 ( -1.781 -1.807 -0.217) 2.547 1.894 ( -6.460 -2.181 -2.636) 7.310 2.162 ( -0.016 0.915 2.044) 2.240 2.183 ( 1.380 -1.127 0.611) 1.884 2.339 ( 2.603 1.497 2.432) 3.864 2.368 ( 2.570 -0.865 1.588) 3.142 2.536 ( 7.321 0.479 -0.458) 7.351 2.954 ( 7.375 1.311 1.730) 7.688 2.991 ( 1.651 -0.604 -1.813) 2.525 3.098 ( -9.426 0.946 -7.381) 12.009 3.668 ( -7.690 -2.669 12.834) 15.197 4.453 ( 7.313 9.485 -7.039) 13.892 4.874 ( 5.253 -5.764 -1.999) 8.051 8.507 ( -11.495 2.545 29.404) 31.673 9.405 ( -5.545 -0.412 -18.992) 19.789 9.814 ( 4.531 -4.236 -18.627) 19.632 11.262 ( 3.384 -0.125 10.671) 11.196 11.726 ( -7.123 1.293 6.292) 9.592 12.300 ( -11.482 0.083 -1.143) 11.539 12.741 ( -4.350 3.338 0.592) 5.515 13.420 ( 7.259 -2.620 11.300) 13.684 13.887 ( -1.364 -0.304 0.070) 1.399 14.133 ( 2.557 -2.172 7.356) 8.085 14.861 ( -1.558 3.996 -8.066) 9.136 15.944 ( 6.553 -0.573 -8.523) 10.766 ======================= Grid point 186 (83/306) ======================= q-point: (-0.10 -0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -9.980 -5.338 -2.458) 11.582 0.737 ( -12.098 -5.719 3.929) 13.946 1.284 ( -2.896 2.805 0.966) 4.146 1.621 ( -2.065 0.037 -3.811) 4.335 1.635 ( -3.663 -4.648 -4.401) 7.375 1.751 ( -8.825 -6.014 -4.206) 11.478 1.862 ( -0.978 -0.304 2.647) 2.838 2.166 ( -0.315 1.244 1.791) 2.203 2.195 ( -0.018 -0.158 -1.264) 1.274 2.364 ( 2.278 2.314 1.566) 3.605 2.427 ( 2.798 -0.561 1.408) 3.182 2.625 ( 8.732 0.982 0.992) 8.843 2.837 ( -8.778 1.487 -4.167) 9.830 2.962 ( 1.508 1.237 -2.194) 2.936 3.171 ( 7.520 -0.739 3.975) 8.538 3.727 ( -8.267 -4.642 8.975) 13.056 4.344 ( 6.961 11.845 -5.151) 14.673 4.943 ( 2.272 -3.935 -5.275) 6.962 8.643 ( -7.558 7.018 29.367) 31.126 9.206 ( -7.398 -5.419 -10.208) 13.722 9.723 ( 2.092 -5.385 -18.434) 19.318 11.411 ( 3.977 -2.761 8.595) 9.865 11.689 ( -4.673 2.133 4.203) 6.637 12.134 ( -13.260 -2.500 -2.819) 13.785 12.745 ( 1.901 4.183 8.050) 9.269 13.637 ( 7.462 -0.205 9.967) 12.453 13.890 ( -0.053 -1.581 1.415) 2.122 14.275 ( 4.512 -3.252 6.250) 8.366 14.678 ( -4.813 4.960 -9.545) 11.784 15.879 ( 1.615 1.388 -13.870) 14.033 ======================= Grid point 195 (84/306) ======================= q-point: (-0.20 -0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -12.210 -0.000 -2.244) 12.415 0.666 ( -14.128 -0.000 2.726) 14.388 1.335 ( -6.731 -0.000 -1.854) 6.982 1.562 ( -1.360 -0.000 2.137) 2.532 1.635 ( -14.548 -0.000 -9.519) 17.386 1.660 ( 1.744 0.000 -2.470) 3.024 1.859 ( -0.635 -0.000 2.905) 2.974 2.185 ( -0.166 -0.000 1.445) 1.455 2.187 ( 0.144 0.000 0.051) 0.152 2.393 ( 1.592 0.000 1.248) 2.023 2.420 ( 3.243 0.000 3.005) 4.422 2.637 ( 9.229 0.000 0.801) 9.264 2.850 ( -10.252 -0.000 -5.883) 11.820 2.981 ( 1.846 0.000 -2.638) 3.220 3.158 ( 10.019 0.000 3.451) 10.597 3.674 ( -9.034 -0.000 9.952) 13.441 4.517 ( 5.820 0.000 -6.616) 8.812 4.866 ( 4.807 0.000 -4.788) 6.785 8.736 ( -10.428 -0.000 38.512) 39.899 9.137 ( -5.974 -0.000 -17.994) 18.960 9.655 ( 2.967 0.000 -17.200) 17.454 11.375 ( 0.655 0.000 7.032) 7.062 11.717 ( -6.207 -0.000 5.766) 8.472 12.104 ( -14.659 -0.000 -5.071) 15.512 12.796 ( 1.348 0.000 10.010) 10.101 13.631 ( 8.742 0.000 12.110) 14.935 13.866 ( -1.631 -0.000 1.007) 1.917 14.225 ( 3.327 0.000 6.350) 7.168 14.758 ( -3.542 -0.000 -10.966) 11.524 15.896 ( 5.063 0.000 -14.879) 15.717 ======================= Grid point 196 (85/306) ======================= q-point: (-0.10 -0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -11.356 -4.577 -0.718) 12.265 0.561 ( -15.294 -4.900 6.119) 17.186 1.181 ( -14.615 -2.317 -11.319) 18.631 1.359 ( -13.744 -0.248 -4.004) 14.317 1.592 ( -2.675 -3.470 2.733) 5.164 1.674 ( 4.169 0.022 -2.562) 4.893 1.888 ( -0.006 -0.153 3.011) 3.015 2.184 ( -0.277 0.332 0.094) 0.442 2.192 ( -0.148 0.553 0.703) 0.907 2.415 ( 0.833 0.775 1.171) 1.633 2.478 ( 2.652 0.795 2.036) 3.436 2.716 ( -4.045 0.538 -1.949) 4.522 2.768 ( 9.613 -0.397 0.775) 9.653 2.971 ( 1.843 0.847 -2.591) 3.290 3.292 ( 6.573 0.489 3.556) 7.489 3.653 ( -9.834 -2.545 5.280) 11.448 4.483 ( 5.208 6.652 -3.247) 9.051 4.864 ( 2.233 -2.500 -8.231) 8.888 8.895 ( -5.182 4.677 1.111) 7.068 9.065 ( -8.484 -2.822 31.832) 33.064 9.545 ( -0.760 -0.565 -7.652) 7.710 11.451 ( 1.297 -6.041 3.359) 7.033 11.690 ( -4.711 1.721 2.691) 5.691 11.915 ( -12.217 -3.718 -2.931) 13.103 12.931 ( 3.361 3.796 12.615) 13.596 13.782 ( 1.441 -0.837 4.062) 4.390 13.927 ( 5.150 -0.402 7.190) 8.853 14.340 ( 3.477 -3.471 4.841) 6.898 14.566 ( -4.994 4.490 -11.748) 13.532 15.738 ( 2.458 1.856 -24.832) 25.023 ======================= Grid point 206 (86/306) ======================= q-point: (-0.10 -0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( -12.802 -0.000 3.149) 13.184 0.414 ( -17.262 -0.000 8.790) 19.371 0.738 ( -29.059 -0.000 -13.349) 31.979 1.254 ( -5.681 -0.000 0.919) 5.755 1.574 ( -1.414 -0.000 1.293) 1.916 1.711 ( 4.182 0.000 -0.620) 4.228 1.913 ( -0.499 -0.000 2.900) 2.942 2.190 ( 0.231 0.000 1.602) 1.619 2.200 ( -0.353 -0.000 0.638) 0.729 2.432 ( 0.033 0.000 0.700) 0.701 2.534 ( 2.096 0.000 1.866) 2.806 2.662 ( -2.236 -0.000 -0.889) 2.406 2.904 ( 12.030 0.000 -0.804) 12.057 2.971 ( 1.708 0.000 -2.300) 2.865 3.394 ( 4.390 0.000 2.518) 5.060 3.546 ( -11.242 -0.000 1.541) 11.348 4.549 ( 3.164 0.000 -0.344) 3.183 4.782 ( 0.302 0.000 -6.349) 6.356 8.796 ( -2.641 -0.000 -4.126) 4.899 9.233 ( -1.799 -0.000 0.180) 1.808 9.917 ( 4.049 0.000 91.819) 91.908 11.390 ( -1.118 -0.000 -2.705) 2.927 11.681 ( -4.367 -0.000 2.538) 5.051 11.726 ( -8.774 -0.000 -3.009) 9.275 13.112 ( 1.550 0.000 9.403) 9.530 13.786 ( -1.510 -0.000 3.835) 4.121 14.078 ( 6.649 0.000 3.913) 7.714 14.376 ( 0.399 0.000 2.033) 2.072 14.455 ( -1.163 -0.000 -6.945) 7.042 15.377 ( -3.457 -0.000 -58.158) 58.261 ======================= Grid point 207 (87/306) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -3.793 -0.000 9.733) 10.446 0.633 ( 3.091 0.000 15.689) 15.990 1.134 ( 4.364 0.000 3.950) 5.886 1.237 ( 3.063 0.000 21.423) 21.640 1.532 ( -1.287 -0.000 0.998) 1.628 1.822 ( 0.534 0.000 2.396) 2.454 1.968 ( -4.425 -0.000 2.541) 5.103 2.142 ( 0.705 0.000 -5.103) 5.152 2.174 ( -1.588 -0.000 -1.704) 2.329 2.425 ( -0.760 -0.000 -0.611) 0.976 2.505 ( -1.385 -0.000 -0.789) 1.594 2.647 ( 2.464 0.000 1.249) 2.763 2.772 ( 4.950 0.000 -9.703) 10.893 2.999 ( 2.979 0.000 -3.384) 4.509 3.242 ( -6.033 -0.000 -4.147) 7.321 3.441 ( -3.757 -0.000 -0.858) 3.854 4.775 ( 1.565 0.000 6.866) 7.042 5.085 ( 7.147 0.000 -2.692) 7.637 8.852 ( -12.648 -0.000 -10.152) 16.218 9.194 ( 6.020 0.000 18.734) 19.678 10.887 ( -48.156 -0.000 7.486) 48.735 11.051 ( 3.127 0.000 -15.009) 15.331 11.572 ( -5.555 -0.000 0.311) 5.563 11.648 ( 5.862 0.000 1.449) 6.039 12.669 ( -8.492 -0.000 -16.908) 18.921 13.552 ( -3.816 -0.000 -19.626) 19.993 13.778 ( 0.979 0.000 0.456) 1.080 14.306 ( -2.246 -0.000 -3.687) 4.317 14.836 ( 4.478 0.000 14.464) 15.141 15.432 ( 35.955 0.000 9.427) 37.170 ======================= Grid point 208 (88/306) ======================= q-point: ( 0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -0.089 -5.208 8.624) 10.075 0.801 ( -1.708 -1.447 15.567) 15.727 1.192 ( 3.185 -1.942 0.098) 3.732 1.500 ( 5.618 3.846 9.352) 11.567 1.604 ( 5.502 -4.441 9.563) 11.893 1.851 ( -1.668 -1.479 4.394) 4.927 1.932 ( -4.966 0.049 2.241) 5.448 2.100 ( 1.002 0.798 -3.918) 4.122 2.134 ( -0.958 -0.933 -3.761) 3.992 2.402 ( -0.584 1.405 -0.628) 1.646 2.483 ( -2.683 -1.876 -0.804) 3.371 2.688 ( 4.268 3.144 -1.521) 5.514 2.750 ( 3.619 -2.045 -2.582) 4.893 2.991 ( 1.287 0.181 -2.731) 3.025 3.115 ( -2.235 4.853 -5.873) 7.939 3.398 ( -4.942 -4.737 -2.666) 7.346 4.823 ( -1.120 5.324 6.548) 8.513 5.088 ( 1.815 1.931 -1.983) 3.310 8.570 ( -18.815 1.851 -3.668) 19.258 9.483 ( 6.891 -1.764 20.154) 21.372 10.496 ( -16.407 11.132 9.386) 21.936 11.011 ( -2.436 -10.696 -15.605) 19.075 11.527 ( -4.980 -2.116 0.637) 5.448 11.779 ( 9.786 -1.833 3.133) 10.437 12.458 ( -2.620 -1.952 -13.091) 13.493 13.302 ( -3.606 -1.748 -21.604) 21.972 13.819 ( 2.132 -0.806 2.161) 3.141 14.229 ( -4.383 -1.009 -5.365) 7.001 14.982 ( 3.037 5.521 13.282) 14.702 15.812 ( 19.813 -0.540 1.572) 19.883 ======================= Grid point 209 (89/306) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 2.156 -6.500 8.076) 10.589 0.949 ( -2.432 -2.365 14.602) 14.990 1.237 ( 1.256 0.118 0.573) 1.385 1.591 ( 5.060 -0.440 4.290) 6.648 1.718 ( 0.764 0.828 0.479) 1.224 1.845 ( -3.689 0.935 -0.760) 3.881 2.006 ( 0.281 -4.203 7.659) 8.741 2.064 ( -0.856 -0.243 -2.504) 2.657 2.131 ( 3.557 -2.891 -1.498) 4.822 2.371 ( -0.835 2.061 0.151) 2.229 2.469 ( -3.862 -3.745 -1.157) 5.502 2.651 ( 2.124 2.491 -3.263) 4.621 2.839 ( 6.042 2.861 3.888) 7.734 2.953 ( -1.107 3.946 -2.869) 5.003 2.996 ( 2.095 1.339 -4.756) 5.367 3.390 ( -3.369 -8.313 -3.980) 9.813 4.739 ( -5.710 11.254 4.793) 13.499 5.081 ( 0.769 -0.043 -0.432) 0.883 8.352 ( -16.376 -0.655 3.595) 16.779 9.751 ( 3.535 -0.320 15.979) 16.368 10.349 ( -2.135 7.287 -0.377) 7.603 10.948 ( -0.913 -6.834 -10.264) 12.365 11.517 ( -4.386 -3.885 1.472) 6.042 11.963 ( 11.244 -2.640 3.157) 11.974 12.405 ( 4.311 -2.925 -6.014) 7.957 13.116 ( -0.229 -5.671 -17.939) 18.816 13.879 ( 2.179 -1.229 2.054) 3.237 14.123 ( -5.681 -1.360 -6.568) 8.789 15.047 ( 0.199 7.271 10.665) 12.909 15.972 ( 9.683 1.348 -1.416) 9.878 ======================= Grid point 210 (90/306) ======================= q-point: ( 0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 2.661 -4.687 7.743) 9.434 1.082 ( -3.421 -2.481 11.736) 12.473 1.228 ( -0.380 3.381 1.562) 3.744 1.664 ( -1.475 2.558 1.070) 3.141 1.726 ( 3.259 -3.569 -0.199) 4.837 1.801 ( 0.386 -1.040 -1.287) 1.699 2.036 ( -0.361 -0.207 -1.082) 1.159 2.063 ( 0.459 -2.115 -1.454) 2.607 2.209 ( 0.945 -0.879 -0.863) 1.553 2.353 ( -0.306 0.340 1.967) 2.020 2.457 ( -2.673 -3.363 -1.528) 4.560 2.646 ( 2.485 0.534 -0.150) 2.546 2.750 ( -4.251 6.809 -3.094) 8.603 2.983 ( 0.864 -0.357 -0.077) 0.938 2.998 ( 6.997 1.956 2.069) 7.554 3.448 ( 1.555 -10.424 -3.434) 11.085 4.554 ( -8.493 12.994 3.921) 16.010 5.079 ( -0.362 -0.111 -1.392) 1.442 8.286 ( -11.775 -4.215 10.622) 16.409 9.841 ( -3.931 2.576 4.247) 6.335 10.213 ( 2.202 7.517 -10.655) 13.224 11.006 ( 5.464 -5.235 3.483) 8.330 11.545 ( -3.242 -4.909 2.766) 6.501 12.149 ( 9.814 -3.185 2.569) 10.633 12.462 ( 5.636 -1.571 -2.012) 6.187 13.096 ( 6.728 -9.030 -10.088) 15.119 13.923 ( -0.349 0.185 0.698) 0.802 14.026 ( -2.743 -3.941 -5.335) 7.178 15.032 ( -3.157 7.904 7.491) 11.338 15.998 ( 3.641 2.181 -4.435) 6.139 ======================= Grid point 211 (91/306) ======================= q-point: (-0.60 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 1.311 -1.411 6.014) 6.315 1.097 ( -5.868 3.351 2.622) 7.248 1.237 ( -1.093 1.278 8.110) 8.283 1.606 ( -1.829 0.997 -2.505) 3.258 1.760 ( 0.354 0.335 1.211) 1.305 1.886 ( 5.229 -4.434 -0.365) 6.865 2.022 ( -0.886 -0.073 -1.498) 1.742 2.083 ( 1.468 -2.874 -2.148) 3.877 2.156 ( -1.929 1.206 -3.292) 4.001 2.367 ( -1.345 0.738 1.030) 1.848 2.462 ( 1.176 -1.752 -1.406) 2.536 2.549 ( -1.465 8.737 -4.253) 9.827 2.731 ( -2.127 -5.065 3.474) 6.500 2.968 ( -3.144 -1.858 -2.238) 4.283 3.087 ( 6.260 1.999 4.300) 7.853 3.595 ( 7.136 -10.328 -1.987) 12.710 4.338 ( -9.428 12.132 3.737) 15.813 5.042 ( -1.703 0.146 -3.396) 3.802 8.382 ( -7.795 -7.505 17.244) 20.358 9.714 ( -7.948 3.885 -5.573) 10.456 10.022 ( 2.125 9.585 -12.336) 15.766 11.226 ( 9.390 -3.520 10.155) 14.272 11.600 ( -2.011 -4.323 2.855) 5.557 12.315 ( 6.349 -3.291 3.902) 8.147 12.496 ( 1.505 -0.394 -2.190) 2.686 13.264 ( 12.936 -8.548 -1.606) 15.588 13.873 ( -2.576 -0.103 -2.354) 3.491 14.072 ( 3.153 -5.661 -0.830) 6.533 14.944 ( -6.220 7.867 4.339) 10.928 15.925 ( -0.626 2.271 -8.260) 8.589 ======================= Grid point 212 (92/306) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -6.210 7.015 0.765) 9.400 1.070 ( -3.869 2.237 4.605) 6.418 1.290 ( -1.378 0.788 7.007) 7.184 1.562 ( 0.847 0.118 -3.657) 3.755 1.738 ( -1.954 2.288 -4.656) 5.544 1.923 ( -1.412 0.647 0.253) 1.574 2.004 ( -0.302 0.543 -0.654) 0.902 2.117 ( 1.587 -3.204 -2.603) 4.423 2.138 ( -0.620 -1.910 1.133) 2.305 2.296 ( -4.448 2.204 -1.021) 5.068 2.448 ( 1.440 2.208 -1.934) 3.270 2.509 ( 4.580 -0.767 0.363) 4.657 2.789 ( -2.281 -3.499 2.476) 4.855 2.911 ( -3.479 -1.197 -3.929) 5.383 3.186 ( 5.269 0.929 5.216) 7.472 3.792 ( 8.730 -9.912 -2.340) 13.414 4.145 ( -8.772 8.944 4.441) 13.292 4.972 ( -2.611 0.197 -4.848) 5.510 8.602 ( -5.282 -9.416 20.677) 23.326 9.514 ( -8.002 3.502 -4.188) 9.687 9.799 ( 0.387 10.588 -11.506) 15.641 11.466 ( 9.477 -1.080 9.219) 13.266 11.642 ( -0.994 -2.327 0.963) 2.708 12.380 ( -5.285 3.848 3.329) 7.336 12.535 ( 4.550 -6.382 1.169) 7.925 13.516 ( 13.075 -5.783 2.953) 14.599 13.865 ( 1.961 -1.617 0.141) 2.545 14.179 ( 4.969 -5.563 -1.252) 7.564 14.799 ( -8.261 7.397 1.813) 11.236 15.769 ( -3.905 1.857 -12.820) 13.530 ======================= Grid point 213 (93/306) ======================= q-point: (-0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -7.164 8.215 1.985) 11.080 0.989 ( -9.439 5.256 3.520) 11.362 1.302 ( -1.829 2.624 0.287) 3.211 1.547 ( -2.225 -0.642 -6.696) 7.085 1.562 ( -3.551 4.163 -3.583) 6.540 1.901 ( -5.373 5.947 0.412) 8.025 1.941 ( -2.847 1.006 4.362) 5.305 2.122 ( 0.266 -1.908 -2.998) 3.563 2.169 ( -0.400 -1.703 2.129) 2.756 2.308 ( 2.573 -4.036 0.612) 4.825 2.439 ( 0.940 0.021 -0.903) 1.304 2.596 ( 7.830 -1.752 -1.270) 8.124 2.784 ( -5.486 -0.525 0.817) 5.571 2.878 ( 2.343 -1.115 -2.952) 3.930 3.286 ( 4.365 0.702 5.188) 6.816 3.866 ( -4.122 -0.177 -5.064) 6.531 4.120 ( 4.054 -4.137 6.408) 8.638 4.885 ( -3.070 0.349 -5.090) 5.954 8.825 ( -3.453 -5.459 11.895) 13.536 9.446 ( -6.655 -4.510 10.950) 13.584 9.567 ( -2.691 10.293 -6.113) 12.270 11.616 ( 0.828 -2.311 -0.455) 2.496 11.666 ( 7.150 4.315 4.144) 9.322 12.242 ( -9.153 7.327 1.548) 11.826 12.716 ( 2.388 -9.823 5.993) 11.752 13.729 ( 8.129 -2.992 3.992) 9.538 13.961 ( 7.720 -1.323 3.775) 8.695 14.261 ( 3.185 -3.854 -5.107) 7.147 14.637 ( -7.113 6.442 1.220) 9.673 15.538 ( -5.775 1.548 -17.819) 18.795 ======================= Grid point 214 (94/306) ======================= q-point: (-0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -7.943 8.251 4.151) 12.182 0.793 ( -14.892 6.194 -1.713) 16.220 1.138 ( -10.698 7.091 -2.625) 13.100 1.399 ( -6.792 4.622 3.203) 8.818 1.582 ( 4.182 -1.951 -3.343) 5.699 1.757 ( -5.244 6.196 1.889) 8.334 1.964 ( -1.445 -0.034 3.997) 4.251 2.126 ( 1.023 -2.218 -2.567) 3.543 2.200 ( -0.589 -0.974 1.890) 2.206 2.393 ( 1.791 -3.201 1.040) 3.812 2.450 ( 1.307 -1.779 -0.974) 2.413 2.667 ( 2.230 -1.507 -3.429) 4.359 2.753 ( 3.691 0.763 -0.996) 3.898 2.904 ( 3.309 -0.871 -1.452) 3.718 3.368 ( 2.374 0.238 4.024) 4.678 3.721 ( -8.558 1.716 -3.997) 9.600 4.333 ( 8.148 -7.361 5.113) 12.112 4.799 ( -2.868 0.483 -3.507) 4.556 8.867 ( -1.003 2.209 2.570) 3.534 9.335 ( -1.879 6.050 -10.500) 12.263 9.775 ( -10.629 -19.336 38.862) 44.689 11.587 ( -2.219 -2.107 -4.804) 5.696 11.750 ( 11.268 9.299 4.277) 15.223 12.057 ( -9.232 7.556 1.032) 11.975 12.915 ( -0.947 -11.692 5.950) 13.153 13.852 ( 3.360 -0.079 2.995) 4.502 14.116 ( 9.483 2.752 5.758) 11.430 14.215 ( -3.512 -3.908 -8.430) 9.933 14.524 ( -3.453 4.821 -1.247) 6.060 15.252 ( -3.454 4.578 -20.870) 21.644 ======================= Grid point 215 (95/306) ======================= q-point: (-0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -15.234 5.799 -1.520) 16.371 0.554 ( -8.080 9.031 7.106) 14.048 0.961 ( -12.519 6.736 12.285) 18.789 1.299 ( -5.027 5.157 1.564) 7.370 1.590 ( 0.164 1.074 -2.030) 2.303 1.719 ( 1.204 0.244 2.751) 3.013 1.981 ( -2.126 -0.046 3.410) 4.019 2.145 ( 1.320 -2.871 -2.436) 3.990 2.214 ( -0.771 -0.262 0.984) 1.277 2.428 ( -0.411 -1.264 0.319) 1.367 2.495 ( 1.807 -2.642 -0.496) 3.239 2.642 ( -1.259 0.177 -1.340) 1.848 2.796 ( 8.695 0.092 -6.992) 11.158 2.944 ( 4.324 -0.475 -1.178) 4.506 3.401 ( -3.460 -2.005 0.852) 4.089 3.577 ( -5.812 2.548 -2.060) 6.672 4.549 ( 6.530 -4.568 5.009) 9.413 4.777 ( 2.066 -2.440 1.343) 3.468 8.872 ( 1.457 3.101 5.786) 6.725 9.169 ( -2.529 2.741 -7.088) 8.010 10.358 ( -14.048 -37.899 34.481) 53.128 11.547 ( -1.103 -2.513 -3.875) 4.748 11.783 ( 6.152 11.797 2.641) 13.565 11.906 ( -2.176 4.374 -1.109) 5.009 13.047 ( -4.838 -9.882 -0.419) 11.010 13.835 ( -3.785 2.745 -1.411) 4.884 14.122 ( -4.306 -1.338 -6.685) 8.064 14.262 ( 4.085 1.394 2.905) 5.203 14.367 ( -2.888 1.923 -5.759) 6.723 14.984 ( 8.766 17.311 -9.188) 21.469 ======================= Grid point 216 (96/306) ======================= q-point: (-0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 1.778 2.372 14.069) 14.378 0.470 ( -3.695 7.048 10.487) 13.165 0.960 ( -6.538 2.456 21.717) 22.813 1.207 ( -3.253 3.658 1.187) 5.037 1.554 ( -1.356 1.239 -0.280) 1.858 1.778 ( 2.383 -0.760 2.234) 3.353 1.983 ( -3.127 -0.087 3.000) 4.334 2.164 ( 0.956 -2.567 -3.680) 4.587 2.205 ( -1.010 0.445 -0.644) 1.277 2.433 ( -0.784 -0.838 -0.200) 1.165 2.520 ( 0.050 -0.613 -0.635) 0.884 2.626 ( 0.227 0.048 -0.092) 0.250 2.801 ( 7.421 0.333 -9.837) 12.327 2.984 ( 4.634 -0.198 -2.568) 5.302 3.344 ( -9.386 -3.866 -2.763) 10.520 3.496 ( -1.543 3.584 0.263) 3.911 4.676 ( 2.238 -1.707 5.792) 6.440 4.944 ( 11.201 -5.403 1.578) 12.536 8.956 ( 2.136 -1.773 6.069) 6.674 9.062 ( -2.425 2.651 -1.742) 3.993 10.846 ( -17.906 -38.780 6.185) 43.160 11.532 ( -5.344 -1.462 -3.978) 6.821 11.662 ( -6.289 8.623 -4.662) 11.647 11.718 ( -12.557 10.052 -7.391) 17.702 12.949 ( -10.140 -0.618 -14.003) 17.300 13.738 ( -7.409 0.720 -2.745) 7.934 13.848 ( -3.693 1.873 -14.778) 15.347 14.354 ( 1.153 1.211 -2.217) 2.777 14.516 ( 12.113 -10.559 17.471) 23.737 14.975 ( 29.000 20.765 13.255) 38.051 ======================= Grid point 218 (97/306) ======================= q-point: ( 0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 3.539 0.000 9.857) 10.473 0.921 ( -2.218 -0.000 14.481) 14.650 1.239 ( 4.888 0.000 1.142) 5.020 1.576 ( 1.624 0.000 2.343) 2.851 1.797 ( 5.140 0.000 5.180) 7.297 1.834 ( -5.119 -0.000 3.836) 6.397 1.910 ( -2.548 -0.000 6.406) 6.894 2.073 ( -0.202 -0.000 -4.377) 4.382 2.085 ( 1.919 0.000 -3.626) 4.103 2.408 ( -0.103 -0.000 0.528) 0.538 2.412 ( -4.634 -0.000 -1.995) 5.045 2.684 ( 0.177 0.000 -3.816) 3.820 2.869 ( 10.921 0.000 6.492) 12.705 2.982 ( 1.334 0.000 -2.254) 2.619 3.070 ( 0.984 0.000 -8.656) 8.712 3.262 ( -7.066 -0.000 -3.241) 7.774 4.907 ( -2.088 -0.000 5.802) 6.166 5.051 ( -3.915 -0.000 -2.542) 4.668 8.351 ( -18.751 -0.000 3.312) 19.041 9.739 ( 6.412 0.000 14.819) 16.147 10.476 ( -10.154 -0.000 5.960) 11.774 10.825 ( 5.572 0.000 -13.869) 14.947 11.477 ( -4.113 -0.000 2.205) 4.667 11.931 ( 11.816 0.000 2.885) 12.163 12.367 ( 7.050 0.000 -6.517) 9.601 13.044 ( -1.615 -0.000 -20.150) 20.214 13.863 ( 1.805 0.000 2.450) 3.042 14.107 ( -6.098 -0.000 -5.733) 8.369 15.145 ( -0.136 -0.000 9.882) 9.883 15.984 ( 10.573 0.000 -2.081) 10.776 ======================= Grid point 219 (98/306) ======================= q-point: ( 0.20 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 5.703 -2.169 10.417) 12.072 1.035 ( -2.414 -1.224 11.972) 12.274 1.299 ( 4.263 2.168 1.607) 5.045 1.630 ( 3.141 -3.016 -0.749) 4.418 1.767 ( -2.353 5.257 3.144) 6.562 1.809 ( -2.503 0.550 -0.465) 2.604 2.009 ( 0.134 -2.336 1.759) 2.928 2.041 ( 0.372 0.328 -0.946) 1.068 2.114 ( 2.240 -5.594 0.479) 6.044 2.327 ( -6.320 -0.914 -2.748) 6.952 2.416 ( -0.638 -0.021 1.338) 1.483 2.656 ( -0.021 0.541 -0.415) 0.682 2.942 ( -0.438 7.470 -7.016) 10.258 2.977 ( 1.381 -0.052 -3.570) 3.828 3.040 ( 5.535 0.717 3.747) 6.722 3.238 ( 2.728 -7.055 -0.673) 7.594 4.829 ( -6.708 10.153 2.179) 12.362 5.019 ( -4.475 -5.113 -1.080) 6.880 8.228 ( -14.412 -1.099 10.184) 17.681 9.862 ( 0.625 -0.044 -0.510) 0.808 10.389 ( -2.661 6.128 -1.295) 6.805 10.871 ( 8.668 -5.102 0.915) 10.100 11.472 ( -2.310 -1.461 2.831) 3.935 12.098 ( 10.823 -1.293 2.755) 11.243 12.465 ( 13.691 1.440 -0.958) 13.800 12.905 ( 3.763 -6.064 -14.193) 15.887 13.907 ( 0.975 -0.868 2.133) 2.500 13.977 ( -6.345 -0.606 -5.803) 8.620 15.184 ( -2.918 4.067 6.505) 8.208 16.025 ( 3.269 0.387 -4.757) 5.785 ======================= Grid point 220 (99/306) ======================= q-point: ( 0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 5.027 -1.041 8.660) 10.068 1.119 ( -3.706 -1.046 8.382) 9.225 1.314 ( 2.528 4.608 1.972) 5.614 1.651 ( 0.350 0.994 -2.668) 2.869 1.766 ( 1.492 0.350 2.865) 3.249 1.794 ( 2.438 -1.237 0.145) 2.738 2.007 ( -0.209 -0.567 -2.356) 2.432 2.044 ( 0.328 -0.698 -0.695) 1.038 2.180 ( -1.872 0.198 -2.993) 3.536 2.285 ( -3.727 -8.565 1.413) 9.447 2.415 ( -1.977 -0.003 1.087) 2.256 2.673 ( 0.212 -0.312 3.633) 3.653 2.756 ( -2.719 8.644 -6.323) 11.050 2.945 ( -1.095 -0.418 -4.376) 4.531 3.087 ( 0.446 -2.779 0.839) 2.937 3.426 ( 12.440 -3.900 2.854) 13.345 4.618 ( -9.300 11.537 0.808) 14.840 4.998 ( -5.393 -4.036 -2.746) 7.274 8.250 ( -9.748 -3.842 16.687) 19.704 9.764 ( -3.744 0.826 -11.793) 12.401 10.248 ( -0.380 9.152 -5.609) 10.741 11.119 ( 10.557 -5.224 10.912) 16.057 11.515 ( -0.036 -2.969 3.153) 4.331 12.262 ( 8.702 -1.286 3.666) 9.530 12.543 ( 8.882 5.089 -2.472) 10.531 13.031 ( 13.830 -11.484 -3.655) 18.344 13.864 ( -4.246 -0.577 -4.013) 5.871 13.962 ( 0.861 -3.304 1.227) 3.628 15.120 ( -5.664 6.464 3.384) 9.237 15.963 ( -1.890 0.911 -7.694) 7.974 ======================= Grid point 221 (100/306) ======================= q-point: (-0.60 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -3.377 1.448 4.646) 5.923 1.131 ( 0.363 3.939 3.977) 5.609 1.315 ( 0.280 1.765 3.053) 3.537 1.613 ( 1.816 4.118 -1.029) 4.616 1.775 ( -0.541 1.045 -0.332) 1.222 1.898 ( 5.370 -3.969 -0.028) 6.678 1.968 ( -1.900 -1.195 -3.824) 4.434 2.054 ( 0.455 -1.631 -0.795) 1.870 2.114 ( -1.772 -0.290 -1.132) 2.122 2.344 ( -3.269 -0.471 -0.020) 3.303 2.411 ( -0.803 -4.639 -0.355) 4.722 2.578 ( -3.247 6.585 -1.507) 7.495 2.731 ( 0.258 -1.042 4.209) 4.344 2.884 ( -1.832 -1.133 -5.207) 5.635 3.158 ( 1.609 -3.573 3.595) 5.318 3.636 ( 12.593 -3.086 1.557) 13.058 4.379 ( -9.955 10.722 0.317) 14.634 4.934 ( -6.215 -3.435 -4.643) 8.485 8.413 ( -6.641 -6.658 21.881) 23.816 9.571 ( -4.439 1.573 -12.458) 13.319 10.057 ( -0.677 11.006 -7.883) 13.555 11.398 ( 8.242 -3.920 9.955) 13.506 11.599 ( 3.250 -2.555 3.710) 5.555 12.395 ( 4.387 -1.881 4.114) 6.302 12.532 ( 3.647 6.185 -1.100) 7.264 13.335 ( 16.465 -9.902 1.328) 19.259 13.828 ( 1.104 -1.416 -0.835) 1.980 14.039 ( 2.036 -5.730 0.461) 6.098 14.980 ( -7.816 7.491 0.949) 10.868 15.810 ( -5.632 1.534 -11.087) 12.530 ======================= Grid point 222 (101/306) ======================= q-point: (-0.50 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -6.950 6.903 3.743) 10.487 1.098 ( -3.160 4.786 -0.211) 5.740 1.340 ( -0.070 -0.315 2.470) 2.491 1.557 ( 0.079 3.336 -6.017) 6.881 1.690 ( -1.233 5.366 -3.854) 6.721 1.931 ( -0.973 0.042 2.969) 3.125 1.999 ( 1.184 -0.977 -0.800) 1.730 2.074 ( -0.268 -2.151 -0.782) 2.304 2.125 ( -0.266 -1.822 1.873) 2.626 2.259 ( -3.976 1.065 -0.147) 4.119 2.434 ( -0.002 -1.258 -2.807) 3.076 2.553 ( 3.358 -1.302 0.670) 3.663 2.761 ( -3.296 -1.047 2.439) 4.232 2.853 ( 2.059 -1.091 -2.698) 3.565 3.267 ( 2.386 -2.698 5.630) 6.684 3.802 ( 7.860 -2.635 -1.865) 8.497 4.174 ( -6.646 6.699 1.760) 9.599 4.850 ( -6.323 -3.333 -5.120) 8.792 8.659 ( -5.505 -7.698 22.986) 24.858 9.410 ( -3.865 0.315 -6.227) 7.336 9.830 ( -1.695 11.784 -7.732) 14.196 11.552 ( 2.410 -2.585 0.591) 3.583 11.735 ( 8.034 0.323 6.881) 10.583 12.444 ( -2.858 9.907 4.455) 11.232 12.517 ( 1.738 -6.191 1.312) 6.562 13.626 ( 12.488 -6.145 3.320) 14.309 13.912 ( 7.404 -2.240 2.976) 8.288 14.142 ( 3.649 -6.596 -2.085) 7.821 14.799 ( -8.235 7.241 -0.223) 10.968 15.581 ( -7.888 2.117 -14.295) 16.463 ======================= Grid point 223 (102/306) ======================= q-point: (-0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -7.996 8.500 2.262) 11.887 0.938 ( -11.000 5.844 -0.999) 12.496 1.303 ( -1.599 6.489 -4.406) 8.005 1.462 ( -0.588 -0.856 -2.928) 3.107 1.616 ( 1.563 6.653 1.909) 7.095 1.912 ( -5.438 5.840 0.763) 8.016 1.964 ( -2.378 0.497 4.028) 4.704 2.078 ( 0.863 -1.895 -2.469) 3.230 2.168 ( -0.434 -1.710 2.620) 3.159 2.295 ( 2.674 -4.682 0.900) 5.467 2.418 ( -0.565 -1.335 -2.116) 2.565 2.611 ( 3.326 -3.036 -4.297) 6.224 2.767 ( 0.312 0.125 3.045) 3.063 2.883 ( 3.446 -0.886 -0.982) 3.691 3.371 ( 2.098 -0.375 5.212) 5.631 3.758 ( -6.586 1.828 -6.200) 9.228 4.202 ( 6.788 -3.147 5.261) 9.147 4.768 ( -5.978 -3.151 -4.131) 7.920 8.868 ( -3.852 -2.949 15.067) 15.828 9.361 ( -5.799 -3.937 -1.175) 7.107 9.643 ( -2.530 7.318 4.771) 9.095 11.561 ( 1.096 -0.427 -4.621) 4.768 11.874 ( 7.273 1.686 4.305) 8.618 12.297 ( -4.849 13.274 3.456) 14.548 12.646 ( -1.869 -10.784 3.750) 11.570 13.829 ( 7.124 -1.991 5.278) 9.086 14.074 ( 6.865 -3.415 1.964) 7.915 14.200 ( 4.342 -1.712 -4.517) 6.495 14.637 ( -6.053 5.128 -1.785) 8.131 15.319 ( -5.873 2.357 -14.270) 15.610 ======================= Grid point 224 (103/306) ======================= q-point: (-0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -11.121 7.706 -1.593) 13.623 0.778 ( -7.269 9.298 7.719) 14.102 1.147 ( -2.791 9.075 -0.257) 9.497 1.440 ( -2.395 3.895 1.799) 4.913 1.604 ( 2.849 2.651 1.088) 4.041 1.790 ( -4.179 5.415 2.132) 7.164 1.975 ( -2.240 -0.381 2.904) 3.688 2.088 ( 1.218 -1.989 -2.618) 3.506 2.199 ( -0.873 -0.941 1.983) 2.362 2.385 ( 0.701 -2.825 1.208) 3.152 2.421 ( 1.479 -3.395 -1.665) 4.060 2.619 ( 0.974 -2.609 -4.494) 5.287 2.812 ( 4.624 1.411 0.225) 4.840 2.927 ( 4.181 -0.962 -1.339) 4.494 3.387 ( -4.875 1.251 -0.407) 5.049 3.614 ( -4.447 0.669 -2.150) 4.984 4.414 ( 9.040 -6.016 5.649) 12.240 4.712 ( -4.355 -3.619 -1.759) 5.929 8.956 ( 1.090 3.189 8.698) 9.328 9.222 ( -9.185 1.032 -7.813) 12.103 9.802 ( -7.134 -11.302 26.165) 29.381 11.523 ( 2.154 0.087 -5.937) 6.316 11.935 ( 2.165 0.910 -1.416) 2.742 12.110 ( -4.344 14.716 3.013) 15.637 12.776 ( -4.312 -12.187 1.626) 13.029 13.907 ( -2.217 2.086 -0.027) 3.044 14.109 ( 2.682 -0.474 -1.087) 2.933 14.299 ( 9.878 0.570 1.908) 10.077 14.437 ( -9.189 4.337 -10.798) 14.827 15.182 ( 5.959 2.758 -4.841) 8.158 ======================= Grid point 225 (104/306) ======================= q-point: (-0.20 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 1.817 7.108 10.659) 12.940 0.686 ( -4.543 10.125 9.812) 14.813 1.063 ( -0.869 6.451 8.277) 10.530 1.352 ( -3.406 7.152 1.800) 8.124 1.606 ( 0.261 3.283 1.531) 3.632 1.766 ( 0.803 0.569 3.519) 3.654 1.976 ( -3.178 -0.567 2.383) 4.012 2.100 ( 1.342 -2.365 -2.980) 4.035 2.206 ( -1.262 -0.191 0.516) 1.377 2.399 ( -1.114 -1.951 -0.677) 2.346 2.487 ( 1.999 -2.541 0.665) 3.301 2.617 ( 1.074 -1.510 -2.691) 3.267 2.827 ( 5.430 2.417 -4.773) 7.623 2.972 ( 4.746 -0.947 -2.767) 5.575 3.257 ( -11.419 -2.576 -3.713) 12.280 3.577 ( -0.276 2.928 0.610) 3.003 4.602 ( 0.992 -4.474 5.117) 6.869 4.775 ( 6.050 -7.830 2.004) 10.096 8.959 ( -1.771 2.408 -7.807) 8.360 9.109 ( -5.370 0.871 12.748) 13.861 10.133 ( -12.656 -19.350 24.089) 33.390 11.501 ( 3.329 -0.707 -6.087) 6.974 11.849 ( -6.464 3.365 -4.262) 8.442 11.912 ( -5.400 12.517 -3.129) 13.987 12.823 ( -7.233 -9.055 -5.842) 12.979 13.782 ( -5.935 2.435 -5.645) 8.545 13.987 ( -4.885 9.380 -13.687) 17.297 14.363 ( 4.876 -3.157 7.062) 9.144 14.388 ( 5.430 -0.209 0.840) 5.498 15.278 ( 17.774 5.165 4.022) 18.941 ======================= Grid point 226 (105/306) ======================= q-point: (-0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -1.691 8.480 8.649) 12.230 0.687 ( 0.761 4.761 14.538) 15.317 1.166 ( 7.444 2.462 7.674) 10.971 1.283 ( -0.351 3.849 9.131) 9.915 1.584 ( 0.222 4.312 3.315) 5.444 1.819 ( 0.838 -0.120 4.014) 4.103 1.961 ( -4.286 -0.568 2.098) 4.805 2.109 ( 1.218 -2.038 -3.620) 4.329 2.184 ( -1.410 0.464 -1.560) 2.153 2.401 ( -0.970 -1.867 -0.941) 2.305 2.518 ( -0.195 0.463 0.607) 0.788 2.630 ( 2.063 -1.348 -0.994) 2.657 2.792 ( 4.481 2.056 -7.888) 9.302 2.996 ( 3.289 -0.379 -3.582) 4.877 3.154 ( -8.328 -5.710 -3.167) 10.583 3.517 ( -2.111 4.906 -1.092) 5.451 4.704 ( -1.375 -5.767 6.249) 8.613 4.983 ( 7.960 -7.243 0.518) 10.774 8.787 ( -12.507 -3.075 -8.457) 15.408 9.250 ( 3.580 3.159 19.163) 19.749 10.390 ( -15.931 -19.173 14.865) 29.023 11.390 ( -9.037 6.865 -14.519) 18.428 11.631 ( -2.829 8.023 -4.058) 9.425 11.730 ( -1.653 5.603 2.448) 6.334 12.680 ( -8.164 -0.701 -13.722) 15.982 13.573 ( -5.019 2.253 -17.431) 18.278 13.811 ( 1.049 3.447 -1.389) 3.861 14.335 ( -1.240 1.855 -5.311) 5.761 14.685 ( 7.498 -8.485 16.096) 19.680 15.530 ( 24.340 3.879 5.812) 25.324 ======================= Grid point 229 (106/306) ======================= q-point: ( 0.20 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 6.657 0.000 10.468) 12.405 1.099 ( -3.031 -0.000 8.382) 8.914 1.387 ( 4.878 0.000 0.985) 4.977 1.621 ( 3.568 0.000 -3.587) 5.060 1.791 ( -1.258 -0.000 1.143) 1.700 1.816 ( 1.254 0.000 0.907) 1.547 2.029 ( -0.591 -0.000 2.517) 2.586 2.059 ( 0.252 0.000 2.922) 2.933 2.066 ( -0.736 -0.000 -1.251) 1.452 2.207 ( -6.520 -0.000 -4.272) 7.794 2.419 ( -2.133 -0.000 1.399) 2.551 2.674 ( 0.918 0.000 2.738) 2.888 2.907 ( 1.220 0.000 -9.752) 9.828 2.941 ( -9.860 -0.000 -3.234) 10.377 2.996 ( 2.608 0.000 -0.956) 2.778 3.391 ( 15.165 0.000 6.156) 16.367 4.839 ( -8.539 -0.000 -3.403) 9.192 4.867 ( -7.611 -0.000 0.635) 7.637 8.206 ( -10.819 -0.000 16.495) 19.727 9.771 ( -1.907 -0.000 -13.519) 13.653 10.375 ( -2.340 -0.000 -3.795) 4.458 11.040 ( 12.323 0.000 11.498) 16.854 11.477 ( -0.256 -0.000 2.776) 2.788 12.247 ( 9.654 0.000 4.194) 10.525 12.701 ( 19.802 0.000 2.153) 19.919 12.795 ( 6.749 0.000 -9.484) 11.640 13.856 ( -4.708 -0.000 -3.954) 6.148 13.924 ( -0.412 -0.000 1.795) 1.841 15.202 ( -5.470 -0.000 2.434) 5.987 15.971 ( -2.187 -0.000 -7.371) 7.688 ======================= Grid point 230 (107/306) ======================= q-point: ( 0.30 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -1.666 1.087 5.296) 5.657 1.155 ( 1.857 -1.047 7.063) 7.378 1.403 ( 2.166 4.419 -1.257) 5.079 1.665 ( 6.808 -1.665 -2.751) 7.529 1.791 ( -1.416 0.456 1.877) 2.395 1.837 ( 4.430 0.707 -1.232) 4.652 1.981 ( -3.834 2.443 -1.684) 4.848 2.034 ( -0.434 0.109 0.565) 0.721 2.114 ( -2.759 0.039 -1.989) 3.401 2.186 ( 0.151 -8.610 4.055) 9.519 2.392 ( -3.901 0.311 0.991) 4.036 2.726 ( 1.058 0.457 4.207) 4.362 2.739 ( -6.043 5.947 -4.593) 9.642 2.852 ( -1.918 -2.092 -6.445) 7.042 3.055 ( 2.422 -3.739 1.752) 4.787 3.616 ( 14.106 0.205 4.230) 14.728 4.618 ( -9.983 9.366 -2.497) 13.915 4.816 ( -9.133 -6.582 -3.805) 11.883 8.306 ( -7.738 -2.421 21.951) 23.401 9.593 ( -2.080 0.427 -15.317) 15.463 10.263 ( -1.851 5.447 -6.928) 9.005 11.319 ( 10.146 -2.234 12.520) 16.269 11.528 ( 2.248 -2.416 3.048) 4.493 12.377 ( 4.808 -0.053 3.470) 5.930 12.736 ( 10.968 10.721 -1.582) 15.419 13.066 ( 18.475 -12.364 0.836) 22.246 13.807 ( 0.419 -0.337 -0.389) 0.663 13.943 ( -1.092 -2.268 1.580) 2.972 15.112 ( -7.510 3.289 -0.931) 8.252 15.833 ( -6.076 0.467 -9.849) 11.582 ======================= Grid point 231 (108/306) ======================= q-point: (-0.60 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -5.263 1.812 3.793) 6.736 1.221 ( 0.702 3.543 1.671) 3.979 1.329 ( -1.931 1.567 -2.734) 3.695 1.661 ( -0.551 4.255 -4.928) 6.534 1.798 ( 4.716 3.234 -0.554) 5.745 1.899 ( 4.612 -4.982 -1.634) 6.983 1.936 ( -0.547 0.348 2.229) 2.322 2.035 ( -0.594 -0.665 0.507) 1.026 2.097 ( -0.179 -0.560 0.961) 1.127 2.286 ( -2.901 -2.559 -0.382) 3.887 2.364 ( -1.621 -2.000 2.033) 3.281 2.581 ( -5.699 3.259 -0.147) 6.567 2.744 ( -1.155 -0.583 -1.161) 1.738 2.830 ( 2.350 -0.801 -1.101) 2.716 3.174 ( 3.344 -4.423 5.461) 7.782 3.792 ( 11.491 1.020 1.805) 11.677 4.362 ( -10.256 8.860 -2.737) 13.827 4.737 ( -9.089 -6.305 -5.175) 12.213 8.507 ( -6.628 -4.951 25.525) 26.832 9.428 ( -1.077 0.879 -11.680) 11.763 10.078 ( -1.812 8.727 -8.816) 12.537 11.511 ( 4.778 -0.553 4.201) 6.386 11.671 ( 5.559 -5.061 7.001) 10.273 12.425 ( -0.629 -1.384 0.949) 1.792 12.718 ( 7.292 12.702 2.446) 14.849 13.433 ( 17.424 -10.558 2.719) 20.553 13.872 ( 6.530 -1.048 3.089) 7.299 13.992 ( -0.178 -5.323 1.111) 5.441 14.947 ( -8.497 4.959 -3.071) 10.306 15.627 ( -8.178 1.617 -12.088) 14.684 ======================= Grid point 232 (109/306) ======================= q-point: (-0.50 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -7.255 4.672 5.093) 10.020 1.061 ( -9.234 5.911 -5.949) 12.473 1.347 ( 2.212 -2.076 0.770) 3.129 1.528 ( 1.641 6.772 -7.925) 10.553 1.787 ( 3.669 6.835 0.788) 7.797 1.946 ( -0.943 -0.420 2.187) 2.418 1.999 ( 1.970 -1.352 0.136) 2.393 2.044 ( -0.712 -1.373 -0.226) 1.563 2.131 ( -0.152 -1.213 3.200) 3.426 2.223 ( -3.528 -0.199 0.421) 3.559 2.380 ( -1.132 -1.878 -2.480) 3.310 2.541 ( -1.470 -2.561 -1.753) 3.434 2.755 ( 0.782 -1.058 3.771) 3.994 2.866 ( 3.157 -0.549 -0.501) 3.243 3.330 ( 4.725 -3.030 6.882) 8.881 3.836 ( -0.441 5.005 -4.410) 6.685 4.194 ( -0.716 2.142 1.231) 2.572 4.658 ( -8.253 -6.180 -4.551) 11.270 8.750 ( -7.569 -5.910 25.603) 27.345 9.324 ( -0.389 0.496 -6.063) 6.095 9.864 ( -1.133 9.621 -7.502) 12.253 11.561 ( 3.060 0.610 -2.284) 3.866 11.847 ( 3.215 -3.926 5.513) 7.493 12.449 ( -2.524 -5.572 0.618) 6.148 12.643 ( 2.207 15.892 4.432) 16.645 13.747 ( 12.690 -5.713 5.425) 14.937 14.006 ( 5.310 -2.809 1.339) 6.154 14.088 ( 4.742 -6.201 0.659) 7.834 14.757 ( -7.557 4.840 -4.201) 9.908 15.382 ( -7.192 2.901 -12.147) 14.412 ======================= Grid point 233 (110/306) ======================= q-point: (-0.40 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -8.820 7.398 -1.881) 11.665 0.956 ( -7.006 5.870 7.061) 11.549 1.368 ( 4.464 8.663 -3.898) 10.496 1.429 ( 1.352 -1.280 -2.624) 3.218 1.752 ( 2.084 7.376 2.440) 8.043 1.923 ( -4.341 4.508 0.785) 6.307 1.970 ( -3.294 0.661 2.547) 4.216 2.053 ( 0.917 -1.037 -1.149) 1.799 2.173 ( -0.549 -1.185 3.009) 3.281 2.279 ( 3.047 -5.653 1.002) 6.500 2.359 ( -1.715 -2.225 -2.383) 3.684 2.533 ( -0.450 -4.271 -5.099) 6.666 2.838 ( 2.610 0.311 6.028) 6.576 2.903 ( 3.167 -0.923 -1.170) 3.500 3.454 ( 3.123 2.899 2.752) 5.072 3.634 ( -8.605 2.868 -5.457) 10.585 4.302 ( 8.356 -3.545 4.521) 10.141 4.599 ( -7.328 -6.086 -3.118) 10.023 8.954 ( -8.383 -3.940 22.197) 24.052 9.242 ( -3.194 2.195 -7.056) 8.050 9.749 ( 1.440 3.883 4.001) 5.758 11.537 ( 2.770 0.957 -6.667) 7.283 11.930 ( -0.821 -1.531 1.846) 2.535 12.462 ( -2.574 8.341 -0.628) 8.752 12.544 ( -2.027 -0.099 5.139) 5.526 13.927 ( 0.372 -0.017 2.577) 2.603 14.077 ( 5.872 -3.050 0.994) 6.691 14.244 ( 7.748 -4.924 -0.164) 9.182 14.559 ( -7.248 5.489 -8.903) 12.725 15.217 ( 1.169 1.484 -4.592) 4.966 ======================= Grid point 234 (111/306) ======================= q-point: (-0.30 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 1.729 7.846 7.751) 11.164 0.890 ( -6.179 7.075 10.451) 14.052 1.261 ( 5.765 10.340 -3.252) 12.277 1.439 ( -1.446 -0.120 -0.924) 1.720 1.724 ( 1.981 6.519 3.606) 7.709 1.829 ( -3.099 4.554 2.837) 6.196 1.960 ( -3.063 -0.651 1.744) 3.584 2.061 ( 0.902 -1.028 -1.553) 2.069 2.198 ( -1.056 -0.528 1.599) 1.987 2.347 ( -1.792 -2.482 -1.234) 3.301 2.397 ( 3.648 -5.163 1.061) 6.410 2.538 ( 1.201 -5.033 -5.483) 7.539 2.903 ( 2.346 2.879 4.353) 5.722 2.938 ( 3.175 -1.700 -2.175) 4.207 3.273 ( -10.753 4.911 -8.482) 14.550 3.622 ( 2.528 0.944 3.002) 4.036 4.489 ( 1.554 -4.747 5.000) 7.068 4.597 ( 1.615 -7.808 -0.600) 7.996 9.019 ( -16.173 -0.114 -2.196) 16.322 9.133 ( 3.614 3.765 12.347) 13.405 9.878 ( 0.502 -4.834 14.311) 15.114 11.487 ( 3.133 -0.685 -9.558) 10.081 11.905 ( -3.490 1.850 -0.423) 3.973 12.247 ( -6.726 15.219 -1.364) 16.695 12.609 ( -3.271 -7.680 0.076) 8.348 13.837 ( -5.869 2.289 -5.179) 8.155 14.203 ( -1.383 6.339 -10.801) 12.600 14.288 ( 1.776 -3.092 6.529) 7.439 14.378 ( 4.708 0.235 -3.872) 6.100 15.300 ( 11.377 -1.444 4.144) 12.194 ======================= Grid point 235 (112/306) ======================= q-point: (-0.20 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 2.015 6.996 9.607) 12.054 0.853 ( -4.116 8.495 11.884) 15.177 1.259 ( 11.771 6.063 2.886) 13.552 1.372 ( -3.909 2.825 -0.697) 4.873 1.710 ( 2.084 5.767 3.022) 6.836 1.829 ( 0.514 1.287 5.800) 5.963 1.947 ( -3.636 -0.469 2.359) 4.359 2.068 ( 1.082 -1.312 -1.985) 2.613 2.191 ( -1.285 0.183 -0.508) 1.394 2.347 ( -1.434 -2.689 -1.119) 3.246 2.492 ( 1.832 -2.826 1.810) 3.824 2.568 ( 3.296 -4.577 -4.898) 7.471 2.900 ( 2.515 7.154 -0.724) 7.618 2.970 ( 2.613 -2.464 -3.151) 4.777 3.042 ( -11.300 -2.137 -5.459) 12.730 3.632 ( 1.281 4.768 0.310) 4.947 4.540 ( -6.746 -7.675 4.093) 11.008 4.805 ( 10.133 -7.770 2.678) 13.047 8.772 ( -14.033 1.678 -6.603) 15.599 9.306 ( 1.843 1.765 20.061) 20.223 10.091 ( -1.559 -7.935 12.827) 15.163 11.413 ( -1.131 -1.895 -13.223) 13.406 11.835 ( 1.207 5.710 0.148) 5.838 11.941 ( -11.064 14.133 -2.927) 18.186 12.611 ( -4.412 -4.231 -5.281) 8.078 13.657 ( -5.926 4.350 -11.602) 13.735 13.935 ( -1.759 6.488 -8.738) 11.024 14.364 ( 0.506 0.267 -6.405) 6.431 14.529 ( 6.516 -4.935 14.318) 16.487 15.541 ( 15.863 -2.305 5.745) 17.028 ======================= Grid point 236 (113/306) ======================= q-point: (-0.10 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -0.479 9.160 6.390) 11.179 0.868 ( -2.916 4.524 14.774) 15.723 1.263 ( -1.219 3.504 -1.156) 3.886 1.446 ( 9.955 -0.302 6.145) 11.703 1.706 ( 3.025 4.258 1.878) 5.550 1.871 ( -1.927 -0.447 2.108) 2.891 1.956 ( -0.809 2.439 8.543) 8.921 2.077 ( 0.946 -1.135 -1.667) 2.227 2.157 ( -0.158 0.894 -2.937) 3.074 2.354 ( -0.867 -2.636 -0.827) 2.896 2.533 ( -0.446 0.688 0.888) 1.209 2.611 ( 3.438 -3.072 -3.288) 5.663 2.802 ( 0.180 3.346 -3.323) 4.719 2.966 ( -5.238 -4.657 -2.032) 7.298 2.993 ( 2.813 -1.612 -3.788) 4.986 3.547 ( -1.595 7.354 -2.548) 7.945 4.623 ( -5.835 -10.586 5.495) 13.277 5.004 ( 6.618 -5.093 1.181) 8.434 8.540 ( -15.707 0.431 -2.448) 15.903 9.526 ( 3.311 1.181 20.894) 21.187 10.259 ( -2.063 -7.878 6.163) 10.213 11.204 ( -7.046 3.779 -15.201) 17.175 11.656 ( -6.606 9.729 -1.890) 11.911 11.854 ( 7.510 4.415 3.552) 9.408 12.508 ( -2.619 1.518 -8.406) 8.934 13.385 ( -3.482 5.459 -17.875) 19.012 13.859 ( 2.014 2.397 -0.053) 3.131 14.264 ( -3.454 1.555 -7.083) 8.032 14.810 ( 3.846 -7.622 13.942) 16.348 15.798 ( 14.940 -2.281 2.781) 15.366 ======================= Grid point 240 (114/306) ======================= q-point: ( 0.30 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -4.211 -0.000 3.213) 5.297 1.239 ( 2.829 0.000 3.327) 4.368 1.387 ( -5.969 -0.000 -5.459) 8.089 1.721 ( 9.282 0.000 -2.987) 9.751 1.776 ( -1.605 -0.000 -0.566) 1.702 1.875 ( 5.730 0.000 -3.533) 6.732 1.943 ( -1.541 -0.000 0.614) 1.659 2.053 ( -1.994 -0.000 3.528) 4.052 2.105 ( 0.700 0.000 -1.395) 1.561 2.182 ( 1.088 0.000 5.125) 5.239 2.362 ( -3.808 -0.000 2.385) 4.493 2.638 ( -11.393 -0.000 -1.117) 11.448 2.732 ( 1.018 0.000 -4.909) 5.013 2.819 ( 2.735 0.000 0.927) 2.888 3.113 ( 4.804 0.000 5.544) 7.336 3.809 ( 12.308 0.000 2.921) 12.649 4.563 ( -8.096 -0.000 -3.525) 8.830 4.566 ( -13.348 -0.000 -5.901) 14.594 8.447 ( -7.019 -0.000 25.885) 26.819 9.440 ( 0.018 0.000 -12.836) 12.836 10.187 ( -2.207 -0.000 -9.503) 9.756 11.529 ( 7.192 0.000 9.657) 12.041 11.574 ( 3.579 0.000 3.075) 4.718 12.415 ( -1.619 -0.000 0.518) 1.700 12.943 ( 11.128 0.000 0.552) 11.142 13.230 ( 19.406 0.000 4.050) 19.824 13.864 ( 6.049 0.000 3.868) 7.180 13.925 ( -1.974 -0.000 1.763) 2.647 15.008 ( -8.602 -0.000 -4.526) 9.720 15.647 ( -8.027 -0.000 -11.154) 13.742 ======================= Grid point 241 (115/306) ======================= q-point: (-0.60 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -4.148 1.066 2.613) 5.017 1.182 ( -11.863 3.314 -6.295) 13.833 1.300 ( 2.396 -1.446 0.743) 2.896 1.696 ( 4.463 7.430 -3.993) 9.543 1.866 ( 5.995 -6.663 -1.079) 9.028 1.897 ( 4.671 1.899 -2.463) 5.612 1.953 ( 0.084 -0.674 1.222) 1.398 2.048 ( -1.640 2.018 2.447) 3.571 2.111 ( 0.495 -0.229 2.235) 2.300 2.217 ( -3.144 -2.018 -0.964) 3.858 2.358 ( -1.421 0.333 0.914) 1.722 2.506 ( -9.473 -0.568 0.302) 9.495 2.731 ( 2.102 -0.716 2.089) 3.049 2.858 ( 2.910 -0.149 -0.256) 2.925 3.264 ( 6.828 -1.873 8.027) 10.703 3.944 ( 8.512 3.056 0.501) 9.058 4.286 ( -11.272 5.221 -5.408) 13.549 4.498 ( -8.584 -6.826 -4.055) 11.693 8.644 ( -8.611 -2.590 27.784) 29.203 9.345 ( 2.351 0.724 -7.933) 8.306 10.034 ( -1.360 4.228 -11.098) 11.954 11.603 ( 3.468 3.329 1.367) 4.998 11.718 ( 3.050 -6.128 4.697) 8.302 12.380 ( -3.902 -1.012 -0.147) 4.034 12.994 ( 7.752 12.449 2.848) 14.939 13.550 ( 15.722 -9.489 4.713) 18.958 13.936 ( -1.038 -2.065 1.746) 2.897 14.007 ( 7.921 -1.136 5.332) 9.616 14.839 ( -8.105 1.917 -6.434) 10.525 15.435 ( -6.989 1.360 -11.283) 13.341 ======================= Grid point 242 (116/306) ======================= q-point: (-0.50 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -7.933 4.819 -2.313) 9.566 1.054 ( -4.894 2.731 4.525) 7.203 1.354 ( 2.225 -2.296 0.089) 3.199 1.613 ( 6.305 9.747 -5.261) 12.745 1.887 ( 2.480 3.570 -1.124) 4.490 1.943 ( -0.434 -0.590 0.404) 0.837 2.010 ( 3.087 -2.667 -0.084) 4.080 2.026 ( -1.496 0.706 0.484) 1.724 2.155 ( -0.159 -0.737 4.098) 4.167 2.177 ( -2.712 -1.645 -0.184) 3.178 2.317 ( -2.968 -0.884 -2.337) 3.879 2.440 ( -5.408 -3.526 -2.171) 6.811 2.825 ( 2.702 -1.024 6.146) 6.791 2.891 ( 2.605 -0.248 0.425) 2.651 3.456 ( 8.442 -1.525 7.615) 11.471 3.811 ( -8.687 10.979 -7.531) 15.897 4.230 ( 5.052 -3.709 1.316) 6.404 4.445 ( -7.849 -6.375 -2.837) 10.502 8.840 ( -12.703 -4.438 26.970) 30.141 9.309 ( 4.088 2.716 -4.161) 6.435 9.870 ( 1.454 4.997 -8.624) 10.073 11.572 ( 0.891 2.268 -5.946) 6.426 11.848 ( 0.125 -5.301 4.010) 6.648 12.371 ( -2.495 -3.010 0.985) 4.031 12.902 ( 1.577 16.961 2.714) 17.249 13.871 ( 11.301 -9.070 5.260) 15.416 13.954 ( -2.436 -2.760 -1.066) 3.833 14.154 ( 5.114 -1.974 3.622) 6.570 14.665 ( -4.872 3.344 -6.964) 9.133 15.261 ( -1.193 1.936 -7.491) 7.828 ======================= Grid point 243 (117/306) ======================= q-point: (-0.40 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 1.725 6.345 6.092) 8.963 1.016 ( -4.212 4.029 7.113) 9.196 1.396 ( -0.031 -2.482 -0.614) 2.557 1.517 ( 7.772 11.096 -5.422) 14.592 1.858 ( 1.704 4.517 0.379) 4.843 1.925 ( -2.529 1.675 0.077) 3.034 1.962 ( -3.983 2.076 1.781) 4.832 2.051 ( 0.311 -0.008 0.427) 0.529 2.186 ( -0.904 -0.266 2.757) 2.914 2.248 ( 3.810 -6.924 -1.484) 8.041 2.292 ( -1.926 -2.707 -0.026) 3.322 2.412 ( -2.869 -5.225 -3.635) 6.982 2.888 ( 1.008 -1.819 -0.704) 2.195 2.946 ( 0.800 0.440 5.370) 5.447 3.480 ( -9.740 11.496 -8.366) 17.234 3.629 ( 7.716 0.243 5.785) 9.647 4.399 ( 9.142 -6.640 2.073) 11.487 4.402 ( -8.016 -5.352 -0.581) 9.656 8.951 ( -19.432 -3.987 19.294) 27.672 9.277 ( 6.975 6.832 -1.434) 9.869 9.836 ( 4.874 0.020 1.008) 4.977 11.472 ( -0.455 -0.434 -11.429) 11.447 11.917 ( -1.924 -1.336 4.196) 4.806 12.386 ( -2.812 -2.756 -1.160) 4.105 12.716 ( -2.513 16.549 2.053) 16.865 13.887 ( -5.022 1.804 -2.800) 6.026 14.123 ( 4.881 -9.932 -2.121) 11.268 14.220 ( -1.797 -2.796 2.260) 4.019 14.511 ( 1.917 7.872 -5.414) 9.744 15.264 ( 8.282 -1.260 0.934) 8.429 ======================= Grid point 244 (118/306) ======================= q-point: (-0.30 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.354 5.976 8.022) 10.009 1.026 ( 0.057 6.244 10.839) 12.509 1.388 ( -2.357 -0.554 -1.044) 2.637 1.451 ( 10.031 9.236 -3.821) 14.160 1.828 ( 0.982 4.561 0.488) 4.690 1.876 ( -0.594 2.146 1.170) 2.515 1.945 ( -2.767 0.208 4.856) 5.593 2.053 ( 0.059 0.096 -0.062) 0.129 2.191 ( -1.097 -0.202 0.241) 1.142 2.281 ( -1.969 -3.005 -0.842) 3.690 2.396 ( 4.568 -5.638 1.630) 7.437 2.425 ( 0.489 -6.799 -4.789) 8.331 2.889 ( -4.335 -3.270 -2.045) 5.802 2.976 ( -0.510 -0.422 0.370) 0.758 3.187 ( -4.546 12.477 -3.931) 13.849 3.731 ( 6.033 3.756 2.667) 7.591 4.368 ( -9.548 -7.158 0.608) 11.948 4.629 ( 10.824 -7.244 3.315) 13.440 8.831 ( -17.977 2.477 2.471) 18.314 9.354 ( 4.413 3.043 13.507) 14.532 9.964 ( 5.263 -4.071 5.364) 8.546 11.351 ( -1.869 -2.919 -14.092) 14.512 11.932 ( -1.218 2.420 4.801) 5.513 12.256 ( -7.769 9.714 -5.560) 13.625 12.581 ( -1.281 5.122 1.546) 5.501 13.752 ( -5.344 3.750 -5.857) 8.771 14.035 ( -5.650 0.378 -11.859) 13.142 14.320 ( 0.053 -5.158 -1.668) 5.421 14.496 ( 7.415 3.941 7.474) 11.242 15.461 ( 13.067 -4.004 4.859) 14.505 ======================= Grid point 245 (119/306) ======================= q-point: (-0.20 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -2.075 5.218 7.793) 9.605 1.028 ( -2.244 8.645 9.986) 13.397 1.320 ( -5.416 1.037 -2.138) 5.914 1.498 ( 12.510 4.593 1.084) 13.371 1.796 ( 0.814 3.439 0.330) 3.549 1.860 ( -0.980 0.239 -1.133) 1.517 2.011 ( 2.182 1.392 10.379) 10.697 2.052 ( 0.282 -0.575 -0.845) 1.060 2.173 ( -0.265 0.445 -1.654) 1.733 2.285 ( -1.519 -3.177 -1.062) 3.678 2.463 ( 1.199 -5.519 -2.889) 6.344 2.534 ( 5.417 -4.640 0.566) 7.155 2.803 ( -10.777 -4.149 -4.304) 12.324 2.960 ( 2.978 0.656 -6.398) 7.087 3.037 ( -0.363 9.588 4.562) 10.624 3.724 ( 2.864 7.764 -1.253) 8.370 4.376 ( -9.484 -10.255 3.685) 14.446 4.863 ( 9.401 -6.846 2.428) 11.880 8.602 ( -15.049 4.540 0.447) 15.726 9.534 ( 1.020 -0.127 18.197) 18.226 10.118 ( 5.155 -5.140 1.263) 7.389 11.208 ( -4.261 -2.095 -13.274) 14.098 11.901 ( -11.088 6.771 2.010) 13.147 12.006 ( 6.278 11.258 -1.656) 12.997 12.534 ( -1.132 1.966 -1.625) 2.791 13.536 ( -4.483 6.797 -12.901) 15.255 13.907 ( -0.256 1.117 -3.619) 3.796 14.284 ( -2.050 -0.171 -6.635) 6.946 14.674 ( 3.772 -3.446 11.877) 12.929 15.713 ( 12.827 -4.686 3.553) 14.110 ======================= Grid point 246 (120/306) ======================= q-point: (-0.10 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.544 6.703 6.096) 9.076 1.030 ( -3.059 4.852 13.149) 14.345 1.235 ( -4.128 -0.107 -1.187) 4.297 1.600 ( 6.567 1.165 2.547) 7.140 1.764 ( -0.168 2.730 -0.866) 2.869 1.828 ( -0.847 0.459 -1.747) 1.995 2.045 ( -0.083 0.231 -0.083) 0.259 2.096 ( -0.728 1.778 2.193) 2.916 2.182 ( 5.001 1.143 1.438) 5.328 2.307 ( 0.080 -3.489 0.133) 3.492 2.505 ( 1.166 -3.289 -3.633) 5.038 2.614 ( 0.882 -0.915 0.305) 1.308 2.736 ( -3.114 -4.536 0.039) 5.503 2.916 ( 2.690 1.610 -3.199) 4.479 3.005 ( 0.413 2.628 0.998) 2.841 3.606 ( 0.059 10.174 -3.817) 10.867 4.453 ( -8.516 -12.724 5.201) 16.170 5.031 ( 5.193 -4.117 0.541) 6.649 8.407 ( -13.362 4.407 4.586) 14.799 9.725 ( -1.499 -2.589 16.270) 16.542 10.206 ( 4.442 -5.314 -7.507) 10.214 11.056 ( -2.540 2.229 -6.980) 7.755 11.669 ( -7.835 8.831 0.416) 11.813 12.052 ( 10.328 5.204 2.857) 11.913 12.478 ( 1.154 3.140 -2.620) 4.249 13.280 ( 0.076 8.031 -14.132) 16.255 13.902 ( 1.592 0.243 0.688) 1.752 14.167 ( -3.577 2.300 -6.965) 8.161 14.871 ( 0.040 -6.839 10.609) 12.622 15.911 ( 9.151 -3.830 -0.278) 9.924 ======================= Grid point 251 (121/306) ======================= q-point: ( 0.40 -0.60 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -7.685 -0.000 -2.597) 8.113 1.085 ( -3.855 -0.000 3.534) 5.230 1.325 ( 2.161 0.000 -0.011) 2.161 1.819 ( 4.749 0.000 -0.670) 4.796 1.828 ( 7.291 0.000 -5.368) 9.054 1.937 ( 3.665 0.000 -1.606) 4.001 1.953 ( -0.620 -0.000 0.775) 0.992 2.064 ( -1.104 -0.000 0.898) 1.423 2.147 ( 0.490 0.000 3.750) 3.782 2.150 ( -3.662 -0.000 -1.733) 4.052 2.328 ( -2.466 -0.000 -3.433) 4.227 2.384 ( -10.737 -0.000 1.580) 10.852 2.810 ( 2.912 0.000 5.821) 6.509 2.888 ( 2.718 0.000 0.771) 2.825 3.433 ( 8.782 0.000 8.585) 12.281 4.068 ( -14.152 -0.000 -8.651) 16.587 4.071 ( 7.182 0.000 -0.720) 7.218 4.366 ( -4.303 -0.000 -0.230) 4.309 8.785 ( -13.030 -0.000 27.784) 30.688 9.344 ( 5.732 0.000 -2.967) 6.455 9.934 ( 1.034 0.000 -12.467) 12.510 11.622 ( -2.919 -0.000 -6.438) 7.069 11.753 ( 3.904 0.000 5.345) 6.619 12.342 ( -2.587 -0.000 1.914) 3.218 13.166 ( 3.452 0.000 0.630) 3.509 13.676 ( 9.088 0.000 4.166) 9.997 13.939 ( -0.787 -0.000 2.993) 3.094 14.134 ( 4.914 0.000 3.953) 6.306 14.705 ( -4.135 -0.000 -6.296) 7.533 15.286 ( -1.751 -0.000 -8.880) 9.051 ======================= Grid point 253 (122/306) ======================= q-point: (-0.50 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 1.828 2.570 5.335) 6.198 1.081 ( -2.010 1.519 4.730) 5.359 1.346 ( 0.288 -1.415 -0.514) 1.532 1.759 ( 6.816 9.372 -4.769) 12.531 1.900 ( 0.064 -1.455 -0.675) 1.605 1.944 ( 0.652 1.127 -0.880) 1.571 2.006 ( 4.038 -4.266 -0.706) 5.916 2.034 ( -1.002 2.751 -0.148) 2.932 2.115 ( -1.312 -3.240 -1.272) 3.720 2.192 ( 0.068 0.069 3.654) 3.655 2.248 ( -4.323 0.071 -1.365) 4.534 2.311 ( -7.331 -3.356 0.257) 8.067 2.857 ( 0.321 -0.735 -0.521) 0.957 2.946 ( 0.856 -0.129 4.025) 4.117 3.597 ( -0.301 -0.055 8.247) 8.253 3.794 ( 0.414 11.227 -6.439) 12.949 4.169 ( 0.157 -9.802 -4.192) 10.662 4.364 ( 0.891 -0.706 3.492) 3.672 8.878 ( -18.645 -1.848 24.583) 30.909 9.400 ( 8.222 3.119 0.251) 8.797 9.844 ( 4.737 0.326 -9.493) 10.614 11.471 ( -4.823 0.212 -11.913) 12.854 11.862 ( 1.155 -2.181 6.245) 6.715 12.350 ( -0.762 -0.397 2.129) 2.296 13.088 ( -1.636 12.460 -1.089) 12.614 13.827 ( 0.713 -8.891 -0.888) 8.964 13.954 ( -0.858 -0.223 2.411) 2.569 14.167 ( -3.263 -1.451 -0.083) 3.572 14.648 ( 4.052 3.318 -1.730) 5.516 15.245 ( 6.472 -0.386 -3.824) 7.527 ======================= Grid point 254 (123/306) ======================= q-point: (-0.40 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -1.371 3.681 5.675) 6.902 1.146 ( 6.308 4.042 9.436) 12.049 1.348 ( -2.519 -2.147 -0.899) 3.430 1.675 ( 6.926 9.197 -5.606) 12.806 1.900 ( -2.104 0.263 1.768) 2.761 1.920 ( 1.014 1.937 -1.270) 2.528 1.966 ( -1.910 2.643 0.663) 3.327 2.065 ( 0.084 0.328 1.436) 1.475 2.169 ( 0.149 -3.913 -3.069) 4.975 2.204 ( 0.379 -2.327 1.728) 2.923 2.252 ( -0.179 -4.331 -0.110) 4.336 2.303 ( -1.632 -4.061 1.497) 4.625 2.830 ( -5.765 -1.832 -2.698) 6.624 2.961 ( 0.059 -0.652 -2.007) 2.111 3.480 ( -7.624 11.111 3.846) 14.014 3.816 ( 11.309 4.271 1.876) 12.233 4.197 ( -5.938 -8.051 -3.722) 10.674 4.487 ( 7.613 -4.496 4.324) 9.842 8.862 ( -21.114 0.314 16.263) 26.654 9.458 ( 8.183 5.459 3.259) 10.363 9.874 ( 6.901 -3.846 -2.915) 8.421 11.295 ( -4.447 -1.736 -13.542) 14.358 11.941 ( -1.979 -1.093 6.638) 7.012 12.352 ( -0.620 1.539 -0.360) 1.698 12.873 ( -3.380 15.703 -0.969) 16.092 13.806 ( -6.205 -1.245 -5.162) 8.167 13.959 ( -3.732 -3.936 -5.546) 7.758 14.173 ( -2.997 -5.950 2.653) 7.171 14.654 ( 7.150 7.306 1.589) 10.345 15.373 ( 12.439 -3.389 1.328) 12.961 ======================= Grid point 255 (124/306) ======================= q-point: (-0.30 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -3.121 3.594 6.397) 7.973 1.219 ( 0.495 7.255 7.613) 10.528 1.314 ( -4.443 -1.094 -1.876) 4.945 1.628 ( 7.887 5.798 -2.701) 10.155 1.852 ( -3.614 1.770 -0.051) 4.024 1.912 ( 3.322 3.802 -0.819) 5.115 1.987 ( 1.220 -2.410 4.298) 5.076 2.071 ( -0.108 1.142 2.949) 3.164 2.170 ( 0.086 -1.138 -1.263) 1.702 2.215 ( -2.513 -2.706 -1.104) 3.854 2.322 ( 0.611 -5.715 -0.769) 5.798 2.412 ( 6.256 -5.287 1.981) 8.427 2.715 ( -9.946 -3.181 -5.296) 11.709 2.950 ( 2.560 -0.636 -4.463) 5.184 3.326 ( -3.110 13.291 5.288) 14.638 3.889 ( 7.728 5.765 0.793) 9.674 4.166 ( -9.840 -7.438 -0.388) 12.341 4.698 ( 9.461 -7.109 2.997) 12.208 8.722 ( -17.539 5.068 8.818) 20.274 9.545 ( 2.854 1.662 9.195) 9.770 9.992 ( 7.304 -6.062 -3.843) 10.240 11.150 ( -3.233 -2.382 -10.764) 11.489 11.966 ( -6.049 0.440 5.591) 8.249 12.272 ( 0.679 8.465 -2.632) 8.891 12.678 ( -1.605 11.495 0.746) 11.630 13.650 ( -6.606 1.631 -9.775) 11.910 13.894 ( -2.304 -1.395 -3.374) 4.317 14.226 ( -2.743 -5.091 -0.734) 5.830 14.688 ( 5.253 4.740 5.312) 8.847 15.597 ( 13.117 -5.053 2.175) 14.224 ======================= Grid point 256 (125/306) ======================= q-point: (-0.20 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -3.088 3.124 6.868) 8.153 1.175 ( -4.895 6.128 7.006) 10.517 1.233 ( -5.004 0.880 -2.213) 5.542 1.648 ( 4.069 2.552 0.576) 4.837 1.789 ( -3.536 0.592 -1.105) 3.752 1.898 ( 3.810 4.342 -0.696) 5.818 2.038 ( -0.389 -1.109 -0.213) 1.195 2.125 ( 0.679 0.451 2.990) 3.099 2.194 ( 4.466 0.027 -0.166) 4.469 2.215 ( 0.063 -4.028 0.185) 4.033 2.385 ( 1.228 -5.547 -1.432) 5.859 2.533 ( -2.396 -4.346 -0.558) 4.994 2.648 ( 2.574 -3.973 -0.109) 4.735 2.939 ( 3.038 0.025 -5.206) 6.027 3.189 ( -3.950 11.691 4.307) 13.070 3.851 ( 4.521 10.697 -3.505) 12.130 4.174 ( -10.488 -11.093 4.844) 16.016 4.903 ( 7.682 -6.628 1.073) 10.203 8.549 ( -13.181 7.444 8.325) 17.276 9.655 ( -3.156 -2.867 10.895) 11.700 10.072 ( 6.271 -6.734 -12.039) 15.153 11.072 ( -0.421 -0.239 -3.011) 3.050 11.861 ( -10.713 6.109 1.767) 12.458 12.210 ( 7.805 8.177 1.407) 11.391 12.575 ( -0.546 6.379 0.675) 6.438 13.447 ( -2.406 4.954 -11.020) 12.320 13.883 ( 0.018 -1.387 -0.192) 1.400 14.203 ( -1.891 -0.047 -3.693) 4.149 14.768 ( 0.680 -1.249 7.243) 7.382 15.807 ( 10.253 -4.960 -0.292) 11.393 ======================= Grid point 257 (126/306) ======================= q-point: (-0.10 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -1.437 3.248 6.192) 7.138 1.124 ( -7.124 -0.394 3.130) 7.791 1.183 ( -2.397 1.615 5.713) 6.403 1.648 ( -1.709 0.693 -0.272) 1.864 1.750 ( -0.528 -0.029 -0.453) 0.696 1.887 ( 4.550 4.639 -0.672) 6.532 2.035 ( -0.769 -0.488 -0.388) 0.989 2.117 ( 0.790 2.323 -0.835) 2.591 2.189 ( -0.433 -1.874 -3.906) 4.354 2.324 ( 3.309 -1.540 3.122) 4.803 2.450 ( 3.007 -4.274 -2.965) 6.009 2.510 ( -4.667 -6.219 -1.950) 8.016 2.767 ( 3.484 1.556 2.852) 4.764 2.942 ( 5.704 -1.369 -0.949) 5.942 3.062 ( -4.359 6.568 1.933) 8.116 3.712 ( 3.017 12.304 -4.322) 13.386 4.254 ( -9.382 -12.389 5.855) 16.607 5.032 ( 3.460 -3.938 -1.304) 5.402 8.427 ( -9.907 7.821 12.144) 17.516 9.738 ( -7.614 -5.716 7.088) 11.869 10.052 ( 4.374 -6.972 -18.588) 20.329 11.095 ( 4.895 2.576 5.368) 7.708 11.690 ( -6.745 7.077 2.263) 10.035 12.251 ( 7.790 5.444 2.785) 9.903 12.521 ( 0.577 3.461 -0.402) 3.532 13.293 ( 5.226 7.344 -7.418) 11.673 13.900 ( -0.844 -1.474 -0.229) 1.714 14.130 ( 0.467 4.055 -3.512) 5.384 14.865 ( -3.413 -5.719 6.604) 9.379 15.927 ( 5.211 -3.723 -4.276) 7.701 ======================= Grid point 263 (127/306) ======================= q-point: ( 0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -1.643 0.000 4.753) 5.028 1.197 ( 8.760 0.000 9.074) 12.612 1.317 ( -2.494 0.000 -1.026) 2.697 1.822 ( 2.514 -0.000 -7.803) 8.198 1.874 ( -1.938 0.000 2.086) 2.847 1.976 ( 0.840 -0.000 -2.561) 2.695 1.993 ( 2.959 0.000 0.099) 2.961 2.063 ( 1.737 -0.000 -0.613) 1.842 2.068 ( 1.451 0.000 0.425) 1.512 2.199 ( -2.897 -0.000 -0.745) 2.991 2.201 ( -4.162 0.000 1.388) 4.388 2.249 ( -1.150 0.000 4.724) 4.862 2.808 ( -6.138 0.000 -3.058) 6.858 2.952 ( 0.404 0.000 -2.510) 2.543 3.617 ( -9.655 0.000 11.622) 15.109 3.946 ( 15.797 -0.000 -2.751) 16.035 4.019 ( -4.129 0.000 -6.303) 7.535 4.435 ( 4.185 0.000 4.574) 6.199 8.862 ( -21.642 0.000 21.633) 30.600 9.544 ( 9.858 0.000 1.731) 10.009 9.813 ( 6.368 0.000 -8.827) 10.885 11.275 ( -5.861 0.000 -12.909) 14.177 11.921 ( -1.376 0.000 7.149) 7.280 12.371 ( 0.655 0.000 1.849) 1.962 13.113 ( -2.501 0.000 -3.284) 4.127 13.708 ( -6.642 0.000 -5.996) 8.948 13.953 ( -2.497 -0.000 1.844) 3.104 14.090 ( -5.482 0.000 0.296) 5.490 14.752 ( 7.239 0.000 2.035) 7.520 15.326 ( 12.305 0.000 -1.336) 12.378 ======================= Grid point 265 (128/306) ======================= q-point: (-0.40 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -3.334 1.708 4.797) 6.086 1.265 ( -5.516 -1.209 -1.456) 5.832 1.367 ( 6.718 3.460 6.883) 10.221 1.736 ( 0.731 3.051 -5.895) 6.678 1.888 ( -2.896 -0.860 2.810) 4.125 1.930 ( -1.253 0.696 -0.602) 1.555 1.999 ( 1.291 2.107 -0.362) 2.497 2.082 ( -1.722 -1.132 0.419) 2.102 2.120 ( 3.631 -1.117 0.823) 3.887 2.176 ( -1.774 -0.384 0.278) 1.836 2.228 ( 1.768 -2.711 3.144) 4.512 2.318 ( 5.620 -2.185 2.171) 6.409 2.661 ( -10.035 -1.327 -6.469) 12.013 2.939 ( 2.687 -0.293 -4.045) 4.865 3.599 ( -6.414 8.827 11.001) 15.494 3.911 ( -5.196 -3.934 -2.606) 7.019 4.095 ( 11.130 1.226 -4.082) 11.918 4.559 ( 6.274 -3.952 3.965) 8.409 8.807 ( -20.630 1.962 18.951) 28.082 9.621 ( 6.905 4.232 -1.322) 8.206 9.843 ( 6.444 -5.915 -7.534) 11.544 11.112 ( -3.358 -0.801 -8.491) 9.166 11.958 ( -5.188 -0.546 6.728) 8.513 12.386 ( 1.292 2.191 0.940) 2.711 12.991 ( -1.095 11.884 -1.429) 12.020 13.561 ( -10.210 -7.102 -10.859) 16.511 13.917 ( -2.252 2.950 1.004) 3.844 14.090 ( -4.047 -5.237 3.380) 7.431 14.821 ( 5.709 4.486 1.659) 7.448 15.496 ( 14.142 -3.013 -0.248) 14.462 ======================= Grid point 266 (129/306) ======================= q-point: (-0.30 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -4.793 1.746 5.327) 7.375 1.184 ( -8.186 -1.632 -2.051) 8.595 1.378 ( -1.037 7.607 3.410) 8.400 1.690 ( 0.872 0.493 -1.546) 1.842 1.822 ( -4.642 2.440 -0.932) 5.327 1.963 ( -2.616 -3.802 0.616) 4.656 1.997 ( 3.799 2.262 0.034) 4.422 2.093 ( -0.290 -2.882 1.171) 3.124 2.163 ( -1.707 -0.278 1.201) 2.106 2.196 ( 6.212 0.318 1.360) 6.367 2.293 ( -0.200 -2.114 2.482) 3.266 2.456 ( 3.467 -2.077 -0.179) 4.045 2.550 ( 1.697 -4.188 -2.797) 5.314 2.935 ( 3.106 -0.238 -4.336) 5.339 3.466 ( -6.714 11.467 2.535) 13.528 3.927 ( -8.622 -8.895 5.459) 13.538 4.100 ( 7.892 8.756 -4.628) 12.663 4.739 ( 7.507 -7.071 1.813) 10.471 8.721 ( -16.014 6.457 16.719) 24.035 9.617 ( -0.616 0.064 -0.367) 0.720 9.896 ( 5.516 -7.938 -13.772) 16.826 11.064 ( 1.140 -0.276 0.226) 1.194 11.936 ( -8.414 1.129 4.870) 9.786 12.374 ( 2.595 4.913 1.394) 5.728 12.814 ( -1.454 13.853 -0.158) 13.930 13.438 ( -6.055 -6.346 -9.675) 13.059 13.882 ( -0.517 1.903 1.332) 2.380 14.142 ( -2.879 -4.656 2.565) 6.045 14.825 ( 2.550 4.999 1.311) 5.763 15.691 ( 12.259 -4.675 -1.631) 13.221 ======================= Grid point 267 (130/306) ======================= q-point: (-0.20 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -6.063 -0.007 4.606) 7.614 1.085 ( -8.789 -1.906 -0.531) 9.009 1.297 ( -3.445 6.783 4.400) 8.789 1.673 ( -2.565 0.941 -0.480) 2.774 1.751 ( -1.414 0.214 -1.139) 1.828 1.956 ( -1.389 -0.836 -1.015) 1.913 2.009 ( 0.287 -0.333 -0.590) 0.736 2.143 ( 2.778 -1.868 -2.222) 4.018 2.159 ( -0.663 0.903 1.916) 2.219 2.294 ( 5.896 -1.077 2.470) 6.482 2.327 ( -1.717 -3.217 0.176) 3.651 2.436 ( -0.613 -1.756 -2.111) 2.813 2.731 ( 11.177 -3.355 4.008) 12.338 2.930 ( 3.521 -0.124 -4.201) 5.482 3.257 ( -9.423 8.677 -0.975) 12.846 3.997 ( -7.091 -3.150 5.844) 9.714 4.008 ( 3.913 6.465 -2.459) 7.947 4.906 ( 5.765 -6.653 -0.815) 8.841 8.635 ( -10.644 9.620 16.522) 21.882 9.605 ( -7.722 -5.314 1.566) 9.503 9.875 ( 4.323 -8.102 -19.618) 21.661 11.136 ( 5.134 1.156 6.884) 8.665 11.836 ( -8.597 4.828 3.131) 10.345 12.376 ( 2.966 4.668 3.349) 6.466 12.651 ( -2.132 8.509 -1.361) 8.877 13.384 ( 2.212 -0.616 -4.504) 5.055 13.881 ( 0.103 0.396 0.747) 0.852 14.174 ( -0.066 -0.757 1.008) 1.263 14.805 ( -1.952 1.134 1.746) 2.853 15.833 ( 7.973 -4.303 -4.966) 10.332 ======================= Grid point 268 (131/306) ======================= q-point: (-0.10 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -7.390 -4.279 -0.827) 8.579 1.053 ( -5.783 -1.169 5.961) 8.387 1.255 ( -3.033 2.946 6.667) 7.895 1.610 ( -2.164 0.878 -2.861) 3.693 1.750 ( 0.290 -0.797 -0.472) 0.971 1.938 ( -1.189 -0.739 -1.399) 1.979 2.007 ( -0.666 -0.955 -0.602) 1.311 2.145 ( 0.716 0.453 -1.552) 1.769 2.160 ( 1.899 2.749 -0.509) 3.380 2.325 ( -3.479 -2.788 -0.930) 4.554 2.393 ( 3.399 -3.354 0.194) 4.779 2.460 ( 3.444 -0.879 -0.323) 3.569 2.835 ( 1.907 2.856 -1.011) 3.580 3.000 ( 3.510 -1.841 2.112) 4.492 3.067 ( -3.751 3.001 -0.233) 4.809 3.875 ( 6.187 13.280 -3.811) 15.138 4.083 ( -8.978 -9.461 7.101) 14.850 4.994 ( 1.924 -3.907 -3.295) 5.461 8.591 ( -6.843 10.284 18.341) 22.112 9.583 ( -10.932 -7.074 0.478) 13.029 9.818 ( 3.504 -8.141 -18.326) 20.357 11.278 ( 7.980 1.280 8.994) 12.092 11.716 ( -5.542 5.511 2.369) 8.167 12.383 ( -1.834 1.890 3.680) 4.525 12.558 ( 1.812 5.040 -1.120) 5.471 13.416 ( 9.806 3.992 0.574) 10.603 13.876 ( -0.419 0.484 -0.446) 0.780 14.184 ( 3.670 3.241 -0.099) 4.897 14.795 ( -6.180 -4.149 2.217) 7.767 15.864 ( 2.142 -2.881 -9.157) 9.835 ======================= Grid point 275 (132/306) ======================= q-point: (-0.40 -0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -5.578 -0.000 4.565) 7.207 1.158 ( -8.056 -0.000 -2.445) 8.419 1.494 ( 1.864 0.000 3.082) 3.601 1.677 ( -2.825 -0.000 -3.988) 4.887 1.877 ( -3.998 -0.000 3.407) 5.253 1.885 ( -4.301 -0.000 -2.142) 4.805 2.030 ( 1.079 0.000 -0.561) 1.216 2.044 ( -1.528 -0.000 2.563) 2.984 2.160 ( -0.179 -0.000 2.097) 2.104 2.211 ( 5.259 0.000 0.699) 5.305 2.271 ( 0.597 0.000 4.393) 4.434 2.438 ( 13.581 0.000 2.373) 13.787 2.487 ( -5.555 -0.000 -6.625) 8.645 2.932 ( 3.160 0.000 -4.042) 5.131 3.686 ( -11.324 -0.000 -8.981) 14.453 3.737 ( -6.314 -0.000 15.875) 17.085 4.229 ( 13.421 0.000 -5.654) 14.564 4.633 ( 5.249 0.000 3.066) 6.079 8.804 ( -18.534 -0.000 23.273) 29.751 9.645 ( 3.374 0.000 -12.812) 13.248 9.768 ( 3.535 0.000 -9.537) 10.172 11.061 ( 1.542 0.000 1.449) 2.115 11.945 ( -7.391 -0.000 6.053) 9.554 12.430 ( 0.937 0.000 2.130) 2.327 13.098 ( 4.254 0.000 2.469) 4.918 13.243 ( -13.202 -0.000 -12.863) 18.432 13.931 ( -1.732 -0.000 1.207) 2.111 14.059 ( -2.920 -0.000 5.822) 6.514 14.904 ( 2.957 0.000 -0.619) 3.021 15.626 ( 13.496 0.000 -2.632) 13.750 ======================= Grid point 276 (133/306) ======================= q-point: (-0.30 -0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -9.449 -0.246 -0.730) 9.481 1.048 ( -8.982 -1.011 3.102) 9.556 1.461 ( -2.844 6.554 1.527) 7.305 1.647 ( -2.250 -3.490 -1.010) 4.273 1.780 ( -5.045 2.334 -2.078) 5.935 1.877 ( -4.434 -3.428 1.007) 5.695 2.005 ( -2.995 -1.121 -0.766) 3.288 2.104 ( 3.672 -0.589 2.146) 4.294 2.174 ( -0.417 0.375 1.991) 2.068 2.282 ( 4.902 -0.038 0.862) 4.977 2.311 ( 0.424 0.432 3.103) 3.161 2.413 ( 1.683 -0.332 -3.571) 3.962 2.658 ( 14.764 -2.138 4.113) 15.475 2.928 ( 3.174 -0.021 -4.140) 5.217 3.415 ( -13.369 4.199 -7.918) 16.095 3.841 ( -7.307 -4.042 13.074) 15.513 4.257 ( 9.740 7.722 -6.272) 13.922 4.750 ( 5.474 -5.537 0.475) 7.801 8.829 ( -14.256 5.684 25.880) 30.089 9.505 ( -3.254 -2.915 -14.249) 14.904 9.717 ( 2.617 -4.286 -14.126) 14.992 11.154 ( 5.272 0.409 7.858) 9.472 11.904 ( -7.935 1.256 4.957) 9.440 12.450 ( -1.030 1.622 3.752) 4.215 12.892 ( -7.608 10.180 -7.921) 14.975 13.271 ( 4.333 -7.255 1.999) 8.683 13.912 ( -1.064 1.541 1.152) 2.199 14.118 ( -0.971 -2.605 5.963) 6.579 14.881 ( -0.203 3.304 -2.910) 4.407 15.743 ( 10.553 -2.687 -6.006) 12.436 ======================= Grid point 277 (134/306) ======================= q-point: (-0.20 -0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -10.471 -2.535 -1.831) 10.927 1.005 ( -10.124 -2.330 6.130) 12.062 1.363 ( -3.879 5.863 2.501) 7.462 1.628 ( -2.513 -0.047 -2.269) 3.386 1.714 ( -1.863 -1.829 -2.406) 3.551 1.878 ( -3.687 -3.422 0.790) 5.092 1.971 ( -4.609 -2.071 -0.892) 5.131 2.158 ( 2.295 0.098 0.194) 2.305 2.183 ( -0.084 0.280 1.037) 1.077 2.312 ( 1.429 1.543 0.774) 2.241 2.362 ( 3.295 -0.379 1.902) 3.823 2.446 ( 5.873 -0.329 -0.796) 5.936 2.868 ( 8.193 0.260 1.474) 8.329 2.943 ( 6.603 -1.921 -0.558) 6.899 3.144 ( -12.914 2.449 -6.236) 14.549 3.917 ( -8.003 -4.627 9.900) 13.545 4.179 ( 7.218 12.009 -4.717) 14.784 4.870 ( 4.113 -6.347 -2.579) 7.991 8.843 ( -8.025 10.992 21.776) 25.679 9.403 ( -9.687 -8.248 -2.738) 13.014 9.650 ( 2.814 -5.802 -16.685) 17.888 11.298 ( 6.003 0.573 8.119) 10.114 11.830 ( -7.042 3.716 3.516) 8.704 12.412 ( -8.766 0.942 0.931) 8.866 12.698 ( 1.153 6.095 -1.305) 6.339 13.437 ( 8.853 -1.556 5.096) 10.333 13.897 ( -0.523 1.024 0.622) 1.307 14.201 ( 1.850 -1.430 4.588) 5.149 14.782 ( -4.139 2.627 -3.850) 6.233 15.794 ( 5.785 -3.026 -10.461) 12.331 ======================= Grid point 278 (135/306) ======================= q-point: (-0.10 -0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -9.001 -5.456 -0.377) 10.532 0.990 ( -10.145 -4.380 6.615) 12.879 1.303 ( -2.809 2.122 2.940) 4.587 1.579 ( 0.720 0.963 -3.575) 3.772 1.673 ( -4.563 -2.974 -6.320) 8.344 1.888 ( -3.260 -3.791 0.871) 5.075 1.937 ( -5.834 -2.807 1.494) 6.644 2.163 ( 0.863 1.050 -1.660) 2.145 2.175 ( -0.765 1.102 0.632) 1.483 2.314 ( 2.270 3.024 0.753) 3.856 2.415 ( 2.316 -0.623 0.780) 2.522 2.522 ( 7.617 0.424 -0.210) 7.632 2.861 ( -1.385 2.517 -1.750) 3.364 2.931 ( -6.161 0.331 -3.873) 7.285 3.140 ( 8.492 -2.597 4.541) 9.974 3.942 ( -6.763 -3.457 1.021) 7.664 4.096 ( 5.441 10.506 2.409) 12.074 4.924 ( 0.815 -3.906 -4.684) 6.153 8.829 ( -4.108 9.530 14.099) 17.507 9.412 ( -11.522 -4.915 12.521) 17.711 9.591 ( 2.233 -7.079 -15.757) 17.418 11.448 ( 7.041 -1.760 6.481) 9.730 11.730 ( -5.085 4.618 0.656) 6.901 12.293 ( -10.991 -3.406 -0.778) 11.533 12.704 ( 5.311 7.103 5.680) 10.532 13.603 ( 10.408 1.878 5.316) 11.837 13.896 ( 1.579 0.825 1.093) 2.090 14.271 ( 4.872 1.909 0.708) 5.281 14.673 ( -7.963 -2.500 -2.005) 8.584 15.726 ( -0.328 -1.893 -15.209) 15.330 ======================= Grid point 286 (136/306) ======================= q-point: (-0.30 -0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -11.656 -0.000 -1.606) 11.766 0.973 ( -11.717 -0.000 5.503) 12.945 1.471 ( -4.455 -0.000 -1.015) 4.570 1.584 ( -1.893 -0.000 0.487) 1.955 1.710 ( -4.913 -0.000 -2.128) 5.354 1.820 ( -3.743 -0.000 -0.172) 3.747 1.943 ( -5.310 -0.000 0.594) 5.343 2.157 ( 2.588 0.000 0.828) 2.717 2.189 ( -0.180 -0.000 1.261) 1.273 2.338 ( 3.265 0.000 1.190) 3.475 2.358 ( 1.648 0.000 3.015) 3.436 2.442 ( 7.173 0.000 -1.543) 7.337 2.865 ( 13.829 0.000 5.037) 14.717 2.923 ( 3.096 0.000 -4.116) 5.150 3.171 ( -14.979 -0.000 -8.994) 17.472 3.865 ( -7.509 -0.000 11.232) 13.511 4.351 ( 8.546 0.000 -6.083) 10.490 4.766 ( 4.146 0.000 -1.418) 4.382 9.026 ( -12.646 -0.000 36.713) 38.830 9.254 ( -3.815 -0.000 -19.553) 19.922 9.579 ( 1.339 0.000 -13.888) 13.953 11.305 ( 5.210 0.000 7.895) 9.459 11.874 ( -7.083 -0.000 4.627) 8.460 12.424 ( -10.783 -0.000 -0.225) 10.785 12.783 ( -1.454 -0.000 -3.919) 4.179 13.403 ( 10.296 0.000 9.051) 13.709 13.911 ( -1.933 -0.000 0.839) 2.107 14.172 ( 1.117 0.000 6.807) 6.898 14.834 ( -2.927 -0.000 -6.573) 7.195 15.750 ( 7.681 0.000 -11.227) 13.603 ======================= Grid point 287 (137/306) ======================= q-point: (-0.20 -0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -11.942 -1.823 0.010) 12.080 0.901 ( -13.386 -2.540 7.006) 15.321 1.369 ( -5.605 2.620 -2.102) 6.534 1.589 ( 1.012 -0.838 -1.664) 2.120 1.634 ( -5.178 1.060 -2.214) 5.730 1.756 ( -9.215 -5.438 -2.431) 10.972 1.915 ( -3.070 -0.198 3.659) 4.780 2.177 ( 1.040 0.274 -0.740) 1.305 2.195 ( -0.122 0.477 0.949) 1.069 2.376 ( 2.566 1.584 1.615) 3.421 2.412 ( 2.691 0.135 2.039) 3.379 2.529 ( 9.081 0.080 -0.605) 9.101 2.907 ( -1.505 1.434 -4.058) 4.559 2.928 ( -7.031 -0.465 -4.832) 8.544 3.085 ( 10.682 -1.673 4.385) 11.668 3.869 ( -8.471 -1.702 5.874) 10.448 4.343 ( 6.674 7.891 -2.588) 10.654 4.811 ( 2.776 -4.599 -4.075) 6.743 9.003 ( -3.955 4.546 -7.382) 9.529 9.315 ( -12.896 -2.699 36.624) 38.922 9.481 ( 4.568 -2.369 -12.421) 13.445 11.414 ( 2.988 -0.827 3.863) 4.953 11.823 ( -6.310 2.667 3.160) 7.544 12.230 ( -14.453 -1.746 -5.571) 15.587 12.830 ( 5.594 3.133 8.103) 10.333 13.620 ( 10.603 0.045 8.135) 13.365 13.899 ( -1.302 -0.281 1.268) 1.839 14.265 ( 2.700 -1.215 5.496) 6.243 14.691 ( -5.703 2.220 -8.552) 10.516 15.682 ( 3.150 -1.522 -17.733) 18.075 ======================= Grid point 288 (138/306) ======================= q-point: (-0.10 -0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -10.255 -5.230 2.112) 11.704 0.861 ( -13.399 -5.141 6.417) 15.720 1.253 ( -7.562 -1.572 -5.071) 9.239 1.482 ( -12.309 -0.569 -2.930) 12.666 1.590 ( 3.609 1.118 -3.349) 5.049 1.734 ( -6.879 -7.015 1.176) 9.895 1.936 ( -1.391 -0.104 4.460) 4.673 2.161 ( 0.680 1.431 -1.979) 2.535 2.198 ( -0.291 0.737 1.463) 1.664 2.393 ( 2.209 2.651 1.216) 3.659 2.448 ( 2.227 0.969 0.543) 2.489 2.627 ( 9.747 0.845 -1.364) 9.878 2.778 ( -6.753 -0.789 -2.016) 7.092 2.904 ( 2.873 0.976 -3.170) 4.388 3.258 ( 7.308 -1.301 4.694) 8.782 3.822 ( -8.753 -2.365 -0.108) 9.068 4.308 ( 6.390 9.364 2.097) 11.529 4.834 ( 0.005 -3.830 -4.961) 6.267 8.881 ( -2.617 -0.136 -3.884) 4.685 9.374 ( -3.142 -5.964 -6.889) 9.639 9.642 ( -4.129 11.057 40.706) 42.383 11.515 ( 4.902 -6.327 2.114) 8.278 11.715 ( -5.601 4.684 -1.602) 7.475 12.090 ( -10.996 -6.206 -1.503) 12.715 12.929 ( 4.349 7.730 9.785) 13.206 13.777 ( 6.316 1.302 4.245) 7.720 13.948 ( 4.344 -2.016 4.168) 6.349 14.341 ( 3.370 2.172 -1.708) 4.358 14.524 ( -7.255 -2.014 -3.742) 8.408 15.496 ( -2.822 -2.386 -23.837) 24.122 ======================= Grid point 297 (139/306) ======================= q-point: (-0.20 -0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -12.630 -0.000 2.685) 12.912 0.792 ( -15.038 -0.000 7.735) 16.910 1.233 ( -11.720 -0.000 -7.449) 13.887 1.506 ( -15.994 -0.000 -2.683) 16.218 1.598 ( 3.515 0.000 -3.399) 4.890 1.628 ( -2.173 -0.000 3.663) 4.259 1.934 ( -1.446 -0.000 4.470) 4.698 2.180 ( 0.632 0.000 -0.646) 0.904 2.205 ( -0.005 -0.000 0.603) 0.603 2.420 ( 1.250 0.000 1.272) 1.784 2.470 ( 3.161 0.000 1.641) 3.562 2.635 ( 10.717 0.000 -1.661) 10.845 2.765 ( -7.368 -0.000 -2.972) 7.945 2.916 ( 3.017 0.000 -3.472) 4.600 3.241 ( 8.782 0.000 4.700) 9.961 3.791 ( -9.506 -0.000 1.393) 9.607 4.448 ( 5.261 0.000 0.207) 5.265 4.762 ( 1.556 0.000 -4.647) 4.901 8.869 ( -3.238 -0.000 -8.120) 8.741 9.303 ( -3.665 -0.000 -6.409) 7.383 9.811 ( 3.409 0.000 54.644) 54.750 11.424 ( -0.828 -0.000 -2.075) 2.234 11.805 ( -5.851 -0.000 3.299) 6.718 11.983 ( -12.976 -0.000 -6.834) 14.665 13.028 ( 5.930 0.000 12.060) 13.439 13.790 ( 4.688 0.000 4.137) 6.252 13.917 ( 3.375 0.000 3.827) 5.102 14.340 ( 2.401 0.000 5.024) 5.568 14.538 ( -5.774 -0.000 -10.513) 11.994 15.454 ( -2.282 -0.000 -28.623) 28.714 ======================= Grid point 298 (140/306) ======================= q-point: (-0.10 -0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -11.223 -3.883 5.501) 13.088 0.679 ( -16.987 -2.986 -0.176) 17.248 1.004 ( -19.567 -3.560 1.169) 19.922 1.342 ( -9.509 -0.457 0.167) 9.522 1.596 ( 0.986 -1.061 -2.754) 3.112 1.672 ( 1.226 -0.786 2.819) 3.173 1.962 ( -1.472 -0.111 4.183) 4.436 2.175 ( 1.162 1.643 -1.049) 2.269 2.211 ( -0.235 -0.032 0.862) 0.894 2.435 ( 0.314 0.754 0.801) 1.144 2.502 ( 2.562 1.944 0.123) 3.218 2.681 ( -2.787 0.103 -1.846) 3.345 2.739 ( 10.268 -0.556 -4.366) 11.172 2.920 ( 3.152 0.404 -2.067) 3.791 3.367 ( 4.979 0.111 3.879) 6.313 3.681 ( -9.952 -1.358 -1.931) 10.228 4.488 ( 5.308 4.701 3.231) 7.792 4.759 ( 0.964 -2.082 -1.853) 2.950 8.811 ( -1.272 -1.799 -0.088) 2.205 9.222 ( -1.489 -2.784 -7.152) 7.818 10.374 ( 6.950 26.546 58.908) 64.985 11.460 ( 4.707 -13.334 -0.772) 14.161 11.690 ( -6.037 6.386 -2.125) 9.040 11.883 ( -7.888 -8.572 -0.469) 11.658 13.141 ( 0.846 6.334 7.020) 9.493 13.837 ( 0.191 -1.015 1.511) 1.830 14.041 ( 6.680 -1.700 4.965) 8.495 14.355 ( -1.446 6.108 -6.847) 9.288 14.423 ( -1.678 -2.905 1.684) 3.754 15.072 ( -10.529 -9.240 -36.302) 38.911 ======================= Grid point 308 (141/306) ======================= q-point: (-0.10 -0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -18.804 -0.000 -1.835) 18.893 0.430 ( -10.583 -0.000 8.669) 13.681 0.873 ( -16.640 -0.000 18.790) 25.099 1.244 ( -5.929 -0.000 -0.889) 5.995 1.569 ( -0.868 -0.000 -1.184) 1.468 1.728 ( 3.428 0.000 1.931) 3.934 1.980 ( -2.098 -0.000 3.609) 4.174 2.196 ( 1.959 0.000 -1.835) 2.684 2.209 ( -0.509 -0.000 0.154) 0.532 2.444 ( -0.425 -0.000 0.386) 0.574 2.532 ( 1.223 0.000 -1.231) 1.735 2.638 ( -1.622 -0.000 -0.987) 1.899 2.793 ( 10.096 0.000 -8.779) 13.379 2.949 ( 4.184 0.000 -1.170) 4.345 3.446 ( 2.191 0.000 2.556) 3.366 3.525 ( -10.791 -0.000 -2.929) 11.181 4.598 ( 3.388 0.000 4.537) 5.662 4.817 ( 8.513 0.000 3.646) 9.260 8.835 ( 0.887 0.000 7.731) 7.782 9.132 ( -0.038 -0.000 -6.870) 6.871 11.263 ( -0.629 -0.000 -9.549) 9.570 11.458 ( 27.370 0.000 33.322) 43.122 11.663 ( -5.123 -0.000 -3.405) 6.151 11.734 ( -5.410 -0.000 5.080) 7.422 13.157 ( -6.539 -0.000 -5.619) 8.622 13.845 ( 0.331 0.000 -2.236) 2.261 14.201 ( 8.707 0.000 13.647) 16.188 14.286 ( -29.086 -0.000 -33.301) 44.215 14.345 ( 1.494 0.000 -1.504) 2.120 14.493 ( 2.473 0.000 7.562) 7.957 ======================= Grid point 309 (142/306) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -3.228 -0.000 9.664) 10.188 0.940 ( 2.794 0.000 14.993) 15.251 1.151 ( 2.063 0.000 1.240) 2.407 1.573 ( -1.179 -0.000 2.279) 2.566 1.643 ( 3.962 0.000 13.950) 14.502 1.890 ( 0.871 0.000 4.841) 4.918 2.021 ( -4.411 -0.000 0.749) 4.474 2.052 ( -0.191 -0.000 -0.116) 0.223 2.107 ( -2.358 -0.000 -5.429) 5.919 2.397 ( 1.115 0.000 -2.182) 2.450 2.492 ( -2.205 -0.000 -0.518) 2.265 2.608 ( 5.277 0.000 -5.838) 7.869 2.685 ( 4.789 0.000 2.642) 5.469 2.934 ( 2.771 0.000 -3.053) 4.123 3.154 ( -7.494 -0.000 -4.483) 8.733 3.400 ( -4.654 -0.000 -3.524) 5.838 4.901 ( 2.558 0.000 5.478) 6.046 5.039 ( 5.109 0.000 -1.621) 5.360 8.726 ( -10.553 -0.000 -1.719) 10.692 9.578 ( 6.951 0.000 18.043) 19.335 10.710 ( 3.940 0.000 -18.411) 18.828 10.931 ( -28.284 -0.000 -2.804) 28.423 11.645 ( -9.718 -0.000 6.545) 11.716 11.688 ( 8.195 0.000 2.650) 8.613 12.355 ( -5.692 -0.000 -13.564) 14.710 13.121 ( -5.372 -0.000 -22.079) 22.723 13.817 ( 1.779 0.000 2.392) 2.981 14.219 ( -3.179 -0.000 -5.016) 5.939 15.118 ( 2.426 0.000 13.367) 13.585 15.583 ( 22.576 0.000 5.552) 23.248 ======================= Grid point 310 (143/306) ======================= q-point: ( 0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -0.071 -3.551 10.959) 11.520 1.096 ( -1.774 -1.384 13.750) 13.933 1.210 ( 3.183 -1.274 1.774) 3.860 1.585 ( 0.427 -0.563 1.233) 1.421 1.745 ( 4.172 4.331 1.756) 6.265 1.910 ( -4.641 2.451 0.393) 5.263 2.029 ( -0.237 -0.960 0.737) 1.233 2.037 ( 0.248 -1.532 -3.216) 3.571 2.074 ( -1.523 -4.356 6.358) 7.856 2.394 ( 1.224 1.279 0.134) 1.775 2.459 ( -3.453 -1.851 -1.794) 4.309 2.600 ( 4.082 1.634 -3.789) 5.804 2.806 ( 8.933 0.358 4.893) 10.192 2.936 ( 2.057 -0.409 -2.651) 3.380 3.011 ( -5.489 3.524 -4.269) 7.796 3.323 ( -5.110 -4.473 -5.092) 8.488 4.928 ( -1.464 6.225 3.775) 7.426 5.057 ( 1.630 -0.311 -0.881) 1.878 8.591 ( -13.796 1.335 6.346) 15.244 9.806 ( 4.209 -2.233 8.096) 9.395 10.482 ( -2.496 12.630 -6.159) 14.272 10.776 ( -6.297 -11.777 -7.415) 15.275 11.600 ( -7.641 -0.093 5.716) 9.542 11.846 ( 9.837 -2.132 3.745) 10.739 12.257 ( 2.745 -3.513 -6.604) 7.969 12.882 ( -1.813 -3.501 -19.824) 20.213 13.867 ( 2.251 -0.251 2.511) 3.382 14.117 ( -5.024 -0.174 -5.758) 7.644 15.222 ( -0.264 4.306 10.572) 11.419 15.823 ( 13.858 -0.418 -0.881) 13.892 ======================= Grid point 311 (144/306) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 1.548 -4.040 11.018) 11.837 1.208 ( -3.701 -1.997 10.458) 11.272 1.264 ( 1.650 0.484 2.161) 2.761 1.625 ( 2.292 -3.774 -2.029) 4.860 1.736 ( 1.580 4.444 1.562) 4.969 1.802 ( -2.802 2.259 -3.799) 5.233 2.018 ( 0.021 -0.868 -1.178) 1.464 2.038 ( -0.806 -0.294 0.314) 0.913 2.191 ( -0.301 -3.140 3.161) 4.466 2.382 ( -2.317 0.211 -0.099) 2.329 2.433 ( -0.314 -0.965 -1.164) 1.544 2.607 ( 3.582 0.177 -1.254) 3.799 2.841 ( -4.040 5.367 -3.704) 7.671 2.944 ( 4.349 0.001 0.912) 4.443 2.979 ( 5.428 0.850 4.119) 6.867 3.300 ( -1.800 -8.317 -4.968) 9.854 4.809 ( -6.529 10.087 2.206) 12.216 5.065 ( -0.029 -0.334 -1.296) 1.338 8.532 ( -12.573 -0.412 14.528) 19.218 9.825 ( -0.793 -1.428 -11.938) 12.050 10.289 ( -4.333 10.254 0.168) 11.133 10.879 ( 7.886 -8.349 2.405) 11.734 11.590 ( -5.684 -2.596 4.738) 7.842 12.026 ( 10.638 -2.023 3.238) 11.303 12.334 ( 7.317 -3.838 -1.356) 8.373 12.801 ( 5.435 -8.806 -12.948) 16.575 13.924 ( 2.020 -0.705 2.443) 3.247 13.997 ( -5.704 -0.497 -5.921) 8.237 15.229 ( -3.561 6.066 7.479) 10.267 15.905 ( 6.835 1.096 -5.320) 8.730 ======================= Grid point 312 (145/306) ======================= q-point: ( 0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.718 -1.940 7.909) 8.175 1.223 ( -3.706 3.557 3.554) 6.246 1.319 ( -1.140 -2.490 5.568) 6.205 1.615 ( -1.981 0.285 -4.962) 5.351 1.762 ( 5.133 -2.855 0.078) 5.874 1.771 ( 1.552 1.071 0.458) 1.941 2.017 ( -1.813 -0.899 -0.365) 2.057 2.038 ( 0.598 -0.267 0.029) 0.656 2.171 ( -2.816 1.288 -2.355) 3.890 2.371 ( 0.012 -1.811 -1.330) 2.247 2.433 ( -0.179 0.546 0.016) 0.575 2.611 ( 0.344 4.181 -2.247) 4.760 2.735 ( -0.851 0.545 -0.393) 1.084 2.972 ( -4.634 -3.737 0.992) 6.035 3.076 ( 7.008 2.408 3.963) 8.403 3.393 ( 6.013 -8.555 -1.730) 10.599 4.610 ( -9.442 10.763 1.607) 14.408 5.031 ( -1.781 0.232 -3.346) 3.797 8.605 ( -8.967 -3.356 20.617) 22.732 9.650 ( -1.150 0.495 -18.475) 18.517 10.115 ( -6.551 8.781 -0.730) 10.980 11.144 ( 12.358 -4.865 8.614) 15.830 11.615 ( -3.786 -3.780 3.127) 6.197 12.205 ( 10.722 -2.694 2.574) 11.351 12.437 ( 4.195 -2.648 0.184) 4.964 12.961 ( 14.294 -11.210 -3.462) 18.492 13.879 ( -4.461 -0.227 -4.275) 6.182 13.994 ( 2.114 -2.719 1.503) 3.758 15.152 ( -6.821 6.845 4.373) 10.607 15.860 ( 1.582 2.349 -9.227) 9.652 ======================= Grid point 313 (146/306) ======================= q-point: (-0.60 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -1.787 3.817 0.774) 4.285 1.166 ( -4.415 2.182 5.283) 7.222 1.371 ( -2.563 -2.418 2.611) 4.385 1.547 ( -0.092 2.732 -2.099) 3.446 1.742 ( -1.530 2.570 -4.449) 5.361 1.879 ( 5.975 -4.547 -0.490) 7.525 1.985 ( -2.187 -0.392 -0.280) 2.240 2.067 ( 0.832 -1.619 1.785) 2.550 2.135 ( -0.898 -1.515 0.484) 1.826 2.374 ( -1.941 0.520 -0.436) 2.056 2.397 ( 0.428 1.423 -3.808) 4.087 2.525 ( -0.477 4.366 0.377) 4.408 2.762 ( 3.211 -1.175 -1.049) 3.576 2.937 ( -8.638 -3.518 -0.294) 9.331 3.182 ( 6.204 0.937 5.276) 8.198 3.572 ( 9.123 -7.753 -0.305) 11.976 4.389 ( -10.271 9.137 1.253) 13.804 4.959 ( -2.791 0.240 -4.755) 5.519 8.786 ( -5.189 -4.428 20.540) 21.644 9.471 ( 0.231 0.340 -12.925) 12.931 9.924 ( -8.576 7.454 -0.059) 11.363 11.410 ( 11.284 -2.115 7.578) 13.756 11.637 ( -1.599 -2.111 0.383) 2.676 12.394 ( 8.575 -6.260 1.655) 10.745 12.488 ( -0.454 1.340 4.330) 4.555 13.266 ( 17.068 -9.741 1.364) 19.700 13.828 ( -0.182 -1.627 -1.684) 2.349 14.071 ( 2.663 -3.735 0.587) 4.625 15.006 ( -9.182 7.063 1.566) 11.690 15.710 ( -2.616 3.157 -13.031) 13.661 ======================= Grid point 314 (147/306) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -4.657 7.233 1.270) 8.696 1.140 ( -6.231 1.245 2.726) 6.915 1.367 ( -2.803 0.772 -0.726) 2.997 1.471 ( -1.081 2.222 -6.046) 6.532 1.633 ( -2.477 2.624 -1.721) 3.998 1.965 ( 0.432 -0.116 2.252) 2.296 1.986 ( 1.776 -1.540 -1.084) 2.588 2.110 ( -2.195 -1.140 1.906) 3.122 2.173 ( 0.001 -2.310 2.399) 3.330 2.285 ( -3.197 1.615 0.090) 3.583 2.393 ( 2.952 -0.978 -3.791) 4.904 2.517 ( 2.874 1.164 0.135) 3.104 2.798 ( 3.981 -0.877 -2.856) 4.978 2.865 ( -7.957 -1.261 0.831) 8.100 3.293 ( 5.347 1.110 5.436) 7.705 3.745 ( 6.578 -6.185 -2.298) 9.317 4.214 ( -7.352 4.193 2.330) 8.778 4.875 ( -2.956 0.053 -4.672) 5.528 8.921 ( -1.432 0.462 6.838) 7.002 9.421 ( 1.513 -0.281 -2.442) 2.887 9.799 ( -11.204 -0.997 11.978) 16.432 11.566 ( 1.207 -3.103 -0.901) 3.449 11.657 ( 7.602 3.672 2.449) 8.790 12.420 ( -4.304 5.395 0.954) 6.967 12.630 ( 3.784 -8.833 7.492) 12.185 13.574 ( 14.620 -6.700 3.046) 16.368 13.888 ( 5.694 -2.493 2.204) 6.595 14.141 ( 2.413 -3.610 -2.121) 4.832 14.818 ( -9.542 6.713 -0.643) 11.685 15.472 ( -5.728 3.868 -16.155) 17.571 ======================= Grid point 315 (148/306) ======================= q-point: (-0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -6.591 6.704 1.372) 9.501 1.009 ( -12.394 5.554 0.025) 13.582 1.243 ( -4.889 3.414 -2.740) 6.563 1.456 ( 3.037 -3.549 -3.544) 5.863 1.583 ( -3.062 4.325 4.267) 6.803 1.915 ( -5.139 5.630 1.083) 7.699 2.021 ( -0.107 -0.348 2.285) 2.313 2.076 ( -2.419 -0.726 -0.507) 2.576 2.216 ( -0.507 -1.164 2.331) 2.654 2.322 ( 2.984 -4.072 0.802) 5.111 2.403 ( 1.867 -1.666 -3.118) 3.998 2.548 ( 4.547 -0.653 -2.857) 5.410 2.785 ( -2.139 0.992 -1.202) 2.646 2.844 ( 2.068 -0.117 -0.002) 2.072 3.383 ( 3.679 1.171 4.374) 5.834 3.758 ( -4.268 -0.805 -5.082) 6.686 4.233 ( 4.065 -4.603 4.379) 7.543 4.801 ( -2.601 0.064 -3.313) 4.213 8.918 ( 1.621 3.572 0.408) 3.944 9.340 ( -2.112 5.686 -4.962) 7.837 10.012 ( -9.241 -17.180 27.999) 34.125 11.539 ( -3.106 -2.879 -5.017) 6.566 11.742 ( 10.874 6.685 2.059) 12.930 12.273 ( -7.445 9.619 1.872) 12.307 12.842 ( -0.309 -12.027 5.516) 13.235 13.805 ( 9.438 -2.231 4.454) 10.672 14.044 ( 9.591 -2.317 4.129) 10.696 14.141 ( -1.297 -1.635 -5.838) 6.200 14.627 ( -7.883 5.338 -4.147) 10.384 15.187 ( -5.055 5.586 -15.046) 16.827 ======================= Grid point 316 (149/306) ======================= q-point: (-0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -12.538 4.943 -0.559) 13.489 0.815 ( -7.704 9.056 5.439) 13.075 1.165 ( -5.053 1.165 3.074) 6.028 1.473 ( -4.865 0.719 1.518) 5.146 1.561 ( 2.157 2.878 3.590) 5.082 1.800 ( -4.316 5.135 2.515) 7.164 2.039 ( -1.410 -0.154 2.692) 3.043 2.072 ( 0.029 -2.419 -2.096) 3.201 2.232 ( -0.833 -0.030 1.105) 1.385 2.411 ( 0.868 -2.020 -2.582) 3.391 2.416 ( 3.469 -3.815 0.597) 5.191 2.569 ( 3.839 -1.454 -5.259) 6.672 2.739 ( 0.266 3.722 -0.533) 3.770 2.876 ( 3.710 -0.397 -1.401) 3.986 3.426 ( -1.106 -0.257 1.339) 1.756 3.641 ( -6.277 0.856 -2.985) 7.003 4.432 ( 9.169 -6.887 4.198) 12.212 4.756 ( -1.009 -0.584 -1.067) 1.580 8.914 ( 2.631 2.193 0.310) 3.439 9.211 ( -2.755 5.661 0.241) 6.301 10.412 ( -9.103 -23.969 20.712) 32.960 11.495 ( -2.898 -3.798 -3.471) 5.906 11.792 ( 9.650 6.816 -0.535) 11.826 12.080 ( -8.500 10.476 2.089) 13.651 12.978 ( -5.147 -11.106 -0.988) 12.280 13.891 ( -0.209 3.721 0.074) 3.727 14.087 ( -2.320 -2.277 -3.587) 4.841 14.213 ( 8.920 -1.121 2.986) 9.473 14.390 ( -8.519 3.581 -10.272) 13.817 15.000 ( 5.118 9.379 -2.352) 10.940 ======================= Grid point 317 (150/306) ======================= q-point: (-0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -2.372 4.239 11.228) 12.234 0.704 ( -5.646 7.912 6.783) 11.853 1.150 ( -3.305 0.735 5.080) 6.105 1.401 ( -8.758 2.831 8.567) 12.574 1.590 ( 0.702 2.462 2.851) 3.832 1.778 ( 1.301 1.095 3.301) 3.713 2.047 ( -1.871 -0.198 2.474) 3.108 2.080 ( 0.046 -2.970 -3.140) 4.323 2.219 ( -1.220 0.758 -0.587) 1.552 2.415 ( 0.192 -1.766 -2.328) 2.928 2.492 ( 2.427 -1.972 0.483) 3.164 2.573 ( 3.847 -1.696 -5.953) 7.288 2.689 ( 1.768 4.413 -2.088) 5.192 2.907 ( 3.893 -0.333 -2.194) 4.481 3.379 ( -8.643 -3.416 -2.702) 9.678 3.557 ( -2.056 3.210 -0.196) 3.817 4.651 ( 7.438 -4.393 4.832) 9.898 4.794 ( 5.039 -3.812 0.320) 6.326 8.909 ( -0.770 -2.096 -4.780) 5.276 9.191 ( 1.665 6.012 11.831) 13.375 10.692 ( -8.290 -21.468 1.556) 23.066 11.500 ( -2.298 -5.333 -0.303) 5.815 11.751 ( -1.700 5.766 -7.223) 9.398 11.890 ( -8.974 8.010 2.474) 12.281 12.913 ( -10.327 -3.584 -12.072) 16.286 13.809 ( -9.057 0.043 -3.557) 9.731 13.813 ( -8.412 6.471 -17.317) 20.311 14.310 ( 3.219 -0.433 -2.367) 4.019 14.461 ( 10.666 -5.653 16.316) 20.296 15.034 ( 15.016 12.085 9.097) 21.314 ======================= Grid point 318 (151/306) ======================= q-point: (-0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -5.632 4.282 8.455) 11.025 0.738 ( 6.786 2.251 15.342) 16.926 1.145 ( -0.271 2.104 1.278) 2.477 1.444 ( -4.195 -2.444 16.356) 17.062 1.585 ( -1.174 2.838 3.745) 4.843 1.834 ( 2.751 0.778 3.810) 4.763 2.049 ( -3.362 -0.367 3.256) 4.695 2.068 ( -0.012 -1.665 -4.813) 5.093 2.177 ( -1.697 0.858 -2.519) 3.156 2.409 ( 0.286 -1.114 -2.755) 2.986 2.517 ( -0.213 0.665 0.172) 0.720 2.588 ( 5.271 -2.149 -6.084) 8.332 2.653 ( 2.550 2.627 -1.080) 3.817 2.927 ( 3.471 -0.090 -2.879) 4.510 3.276 ( -9.598 -3.212 -3.864) 10.834 3.488 ( -2.684 3.039 -1.412) 4.293 4.794 ( 3.526 -2.015 5.656) 6.963 4.943 ( 9.457 -3.887 -0.771) 10.254 8.845 ( -5.319 -2.733 -6.239) 8.642 9.336 ( 5.629 3.629 18.368) 19.551 10.767 ( -3.225 -13.948 -12.194) 18.805 11.395 ( -25.431 6.279 -9.228) 27.772 11.575 ( 2.603 -2.239 0.307) 3.447 11.741 ( -8.351 6.043 4.653) 11.310 12.629 ( -11.276 2.052 -16.455) 20.053 13.429 ( -8.733 2.188 -20.901) 22.757 13.786 ( 0.080 0.351 1.390) 1.436 14.289 ( -0.601 0.307 -4.094) 4.149 14.864 ( 7.948 -9.073 16.974) 20.823 15.245 ( 24.273 8.688 12.027) 28.448 ======================= Grid point 320 (152/306) ======================= q-point: ( 0.10 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 3.012 0.000 12.632) 12.986 1.181 ( -3.758 -0.000 11.170) 11.785 1.272 ( 4.545 0.000 1.781) 4.881 1.578 ( 0.544 0.000 -2.158) 2.226 1.793 ( 2.176 0.000 -2.492) 3.308 1.856 ( -4.017 -0.000 -4.992) 6.407 2.034 ( -0.067 -0.000 0.339) 0.345 2.047 ( 0.794 0.000 4.200) 4.275 2.078 ( -1.931 -0.000 6.623) 6.899 2.369 ( -6.263 -0.000 -2.378) 6.699 2.430 ( 1.161 0.000 1.729) 2.083 2.619 ( 3.724 0.000 -2.794) 4.655 2.907 ( -0.686 -0.000 -6.044) 6.082 2.963 ( -0.584 -0.000 -0.689) 0.903 3.000 ( 11.162 0.000 6.151) 12.744 3.177 ( -4.104 -0.000 -5.124) 6.565 4.988 ( -2.719 -0.000 2.228) 3.515 5.003 ( -4.648 -0.000 -2.214) 5.148 8.533 ( -15.092 -0.000 15.076) 21.332 9.800 ( -0.529 -0.000 -10.229) 10.243 10.465 ( -7.870 -0.000 -5.322) 9.500 10.725 ( 14.102 0.000 5.567) 15.161 11.566 ( -7.069 -0.000 5.296) 8.833 11.998 ( 10.804 0.000 4.342) 11.644 12.300 ( 13.187 0.000 -0.577) 13.199 12.680 ( 2.569 0.000 -15.987) 16.193 13.913 ( 1.385 0.000 2.630) 2.972 13.994 ( -6.139 -0.000 -5.365) 8.153 15.308 ( -3.493 -0.000 6.300) 7.204 15.914 ( 7.211 0.000 -4.985) 8.766 ======================= Grid point 321 (153/306) ======================= q-point: ( 0.20 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 3.732 -0.467 11.314) 11.923 1.230 ( -4.382 -1.542 6.776) 8.215 1.328 ( 3.567 2.113 1.231) 4.325 1.566 ( 1.480 -2.709 -5.218) 6.063 1.770 ( 0.758 1.472 -4.513) 4.807 1.799 ( 1.517 0.870 1.117) 2.075 2.030 ( -0.865 0.690 -0.012) 1.107 2.046 ( -0.948 3.277 4.316) 5.501 2.167 ( -1.054 -3.383 1.753) 3.953 2.274 ( -6.897 -3.610 -1.880) 8.008 2.447 ( -0.781 0.503 1.413) 1.691 2.646 ( 4.559 0.249 -1.207) 4.723 2.810 ( -1.849 3.095 -5.362) 6.461 2.947 ( -2.424 2.107 0.148) 3.216 3.054 ( -2.327 -4.465 -0.757) 5.091 3.275 ( 13.879 -1.492 3.513) 14.395 4.835 ( -8.249 8.173 -1.149) 11.670 4.988 ( -5.276 -3.898 -2.265) 6.940 8.560 ( -13.020 -0.823 22.670) 26.156 9.639 ( -1.776 -0.668 -17.542) 17.644 10.303 ( -3.150 5.731 -6.912) 9.516 11.025 ( 14.672 -4.086 11.611) 19.152 11.553 ( -4.268 -1.446 4.031) 6.046 12.179 ( 10.839 -0.443 5.030) 11.957 12.451 ( 13.165 4.627 -0.745) 13.974 12.694 ( 12.070 -10.778 -6.404) 17.403 13.877 ( -5.303 0.092 -4.030) 6.661 13.954 ( 0.372 -0.897 2.601) 2.777 15.275 ( -6.306 3.082 2.491) 7.448 15.893 ( 1.341 0.582 -8.498) 8.622 ======================= Grid point 322 (154/306) ======================= q-point: ( 0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 1.282 1.369 4.419) 4.801 1.252 ( -4.526 0.460 5.155) 6.875 1.325 ( 0.862 1.764 -0.862) 2.145 1.583 ( 5.022 -1.283 -3.430) 6.216 1.763 ( 3.599 -1.089 -3.829) 5.367 1.817 ( 0.058 0.877 1.956) 2.144 1.989 ( -3.145 1.112 -0.359) 3.355 2.053 ( -0.731 0.729 3.304) 3.461 2.121 ( -2.603 0.067 -1.818) 3.176 2.307 ( -0.701 -5.623 0.097) 5.667 2.429 ( -2.353 0.896 0.051) 2.519 2.641 ( 0.535 4.270 -3.178) 5.350 2.748 ( 1.845 0.423 0.215) 1.905 2.873 ( -6.547 -1.418 -1.901) 6.963 3.129 ( 1.195 -4.932 4.519) 6.795 3.484 ( 14.095 -0.475 2.683) 14.356 4.608 ( -10.512 9.186 -1.702) 14.063 4.924 ( -6.532 -3.245 -4.568) 8.606 8.701 ( -9.636 -2.707 27.096) 28.886 9.458 ( -1.198 -0.881 -15.615) 15.685 10.117 ( -2.602 7.859 -7.904) 11.446 11.339 ( 11.513 -3.236 9.780) 15.449 11.586 ( -0.187 -2.710 3.502) 4.432 12.329 ( 8.709 0.290 1.384) 8.823 12.530 ( 8.591 3.398 2.994) 9.711 13.003 ( 18.450 -12.592 0.575) 22.345 13.807 ( -1.195 -0.113 -1.332) 1.793 13.999 ( -0.047 -2.418 2.381) 3.394 15.149 ( -8.619 4.784 -0.708) 9.883 15.766 ( -3.173 1.670 -11.776) 12.310 ======================= Grid point 323 (155/306) ======================= q-point: (-0.60 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.026 2.583 -2.130) 3.348 1.197 ( -5.733 5.631 4.902) 9.413 1.320 ( 0.236 -2.546 -2.054) 3.280 1.582 ( -2.224 4.560 -4.055) 6.495 1.703 ( 1.077 3.108 -3.191) 4.583 1.886 ( 5.526 -4.913 -0.859) 7.444 1.971 ( -1.003 -0.353 1.826) 2.113 2.072 ( -1.636 -0.980 2.880) 3.454 2.126 ( 0.407 -1.469 2.707) 3.107 2.333 ( -2.661 -1.184 -1.297) 3.189 2.373 ( -0.714 1.101 -2.841) 3.130 2.571 ( -0.496 3.551 0.347) 3.602 2.781 ( 3.495 -0.615 -3.248) 4.811 2.815 ( -5.660 -2.660 1.965) 6.556 3.260 ( 2.199 -3.869 6.663) 8.012 3.661 ( 11.817 -0.561 0.876) 11.862 4.362 ( -10.517 7.859 -1.912) 13.267 4.835 ( -6.577 -3.419 -5.011) 8.947 8.902 ( -5.543 -1.857 22.265) 23.019 9.354 ( -1.583 -3.318 -4.666) 5.941 9.911 ( -3.564 7.821 -6.816) 10.969 11.505 ( 2.709 -1.608 0.774) 3.244 11.703 ( 7.591 -0.968 6.167) 9.829 12.425 ( 5.391 -2.848 -0.443) 6.113 12.600 ( 2.027 5.318 6.819) 8.882 13.375 ( 18.195 -10.385 3.179) 21.190 13.842 ( 5.326 -1.154 2.207) 5.880 14.055 ( 0.316 -3.644 1.168) 3.840 14.961 ( -9.680 5.311 -3.228) 11.503 15.552 ( -6.245 2.929 -14.309) 15.885 ======================= Grid point 324 (156/306) ======================= q-point: (-0.50 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -5.267 6.009 -4.375) 9.110 1.124 ( -7.082 4.348 6.052) 10.281 1.339 ( -0.397 0.931 -2.134) 2.362 1.394 ( -1.960 2.098 -7.632) 8.154 1.692 ( 2.779 4.840 1.916) 5.901 1.973 ( 0.042 -0.821 -0.073) 0.825 1.992 ( 2.687 -1.703 0.730) 3.264 2.086 ( -3.463 -0.502 1.896) 3.980 2.181 ( -0.244 -1.141 3.382) 3.577 2.267 ( -2.967 0.190 1.058) 3.155 2.359 ( 1.829 -1.888 -4.595) 5.294 2.546 ( 0.136 0.728 -0.982) 1.229 2.783 ( 1.349 -0.906 -0.980) 1.897 2.840 ( 0.891 -0.613 1.934) 2.216 3.385 ( 2.541 -1.510 5.767) 6.480 3.748 ( 2.452 0.882 -3.342) 4.238 4.202 ( -2.709 1.780 0.989) 3.389 4.758 ( -5.917 -3.646 -3.787) 7.915 9.000 ( 1.169 3.225 5.098) 6.144 9.397 ( -5.950 -2.916 6.566) 9.328 9.783 ( -4.943 -0.946 5.964) 7.804 11.504 ( 0.079 -0.216 -4.383) 4.389 11.844 ( 7.771 1.800 3.379) 8.663 12.484 ( 0.704 4.021 1.701) 4.422 12.614 ( -2.893 -2.314 5.644) 6.752 13.711 ( 14.809 -6.134 5.750) 17.029 13.981 ( 7.959 -2.331 3.498) 9.001 14.099 ( 0.986 -2.705 -1.675) 3.331 14.747 ( -8.997 4.836 -6.151) 11.924 15.291 ( -6.118 3.813 -13.326) 15.151 ======================= Grid point 325 (157/306) ======================= q-point: (-0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -9.323 6.355 -1.495) 11.381 1.039 ( -5.965 8.854 7.441) 13.013 1.212 ( -1.867 3.635 -3.399) 5.316 1.423 ( 2.793 -3.304 -1.525) 4.587 1.679 ( 1.544 5.673 3.070) 6.633 1.930 ( -4.369 4.514 0.918) 6.349 2.032 ( 0.619 -0.589 0.522) 1.001 2.042 ( -3.514 0.319 1.323) 3.768 2.219 ( -0.540 -1.035 2.167) 2.461 2.309 ( 2.805 -4.702 -1.078) 5.580 2.366 ( 0.836 -2.316 -1.649) 2.963 2.531 ( 0.094 -1.469 -3.036) 3.374 2.811 ( 4.016 1.543 -0.224) 4.308 2.874 ( 2.001 0.645 1.392) 2.522 3.439 ( -1.446 1.360 0.443) 2.034 3.655 ( -5.349 0.784 -2.734) 6.058 4.293 ( 8.257 -4.648 3.583) 10.130 4.708 ( -5.183 -3.720 -1.844) 6.641 9.000 ( 4.449 4.863 -2.229) 6.957 9.329 ( -7.064 4.013 3.176) 8.723 9.968 ( -7.517 -14.056 20.557) 26.012 11.450 ( -0.292 -0.355 -5.789) 5.808 11.899 ( 4.899 3.072 -1.727) 6.035 12.374 ( -4.748 13.543 4.421) 15.017 12.704 ( -4.067 -11.068 1.155) 11.848 13.943 ( 2.905 0.360 3.964) 4.928 14.046 ( 3.448 -2.176 -1.026) 4.205 14.184 ( 9.162 -1.543 1.484) 9.409 14.490 ( -10.005 4.952 -12.715) 16.920 15.129 ( 2.323 2.909 -3.756) 5.288 ======================= Grid point 326 (158/306) ======================= q-point: (-0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -1.549 6.448 8.770) 10.995 0.936 ( -2.566 11.347 5.704) 12.957 1.165 ( -2.613 0.630 3.769) 4.629 1.445 ( -1.621 0.003 -0.557) 1.714 1.673 ( 1.760 4.574 3.721) 6.153 1.841 ( -2.758 4.218 3.029) 5.880 2.027 ( -2.618 -0.985 1.154) 3.026 2.043 ( 0.424 -0.411 -0.421) 0.725 2.226 ( -1.451 -0.065 0.417) 1.511 2.360 ( 1.561 -3.242 -3.698) 5.160 2.424 ( 2.746 -3.698 1.668) 4.899 2.524 ( 0.795 -2.485 -4.129) 4.884 2.815 ( 4.033 5.327 -1.235) 6.794 2.900 ( 2.648 0.412 -0.038) 2.680 3.321 ( -10.564 -1.061 -4.839) 11.668 3.616 ( -0.349 1.810 1.241) 2.223 4.516 ( 10.881 -6.464 4.139) 13.316 4.695 ( -3.447 -4.874 0.158) 5.972 8.923 ( -0.346 3.296 -8.069) 8.723 9.312 ( -1.189 4.143 13.360) 14.038 10.235 ( -9.240 -16.513 14.331) 23.737 11.409 ( -0.339 -2.515 -4.410) 5.088 11.848 ( 0.479 3.951 -6.797) 7.876 12.174 ( -8.189 14.464 3.540) 16.994 12.750 ( -6.788 -9.025 -4.280) 12.077 13.836 ( -8.404 2.094 -5.850) 10.451 14.012 ( -4.364 9.196 -14.512) 17.726 14.289 ( 5.648 -1.217 -2.194) 6.180 14.369 ( 5.545 -3.141 10.425) 12.218 15.197 ( 12.086 2.549 4.437) 13.125 ======================= Grid point 327 (159/306) ======================= q-point: (-0.20 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -0.603 6.145 11.120) 12.719 0.863 ( 3.664 9.237 8.745) 13.237 1.200 ( 0.784 1.420 5.542) 5.775 1.405 ( -4.341 -0.022 4.293) 6.105 1.666 ( 0.222 3.863 2.463) 4.587 1.858 ( 2.154 0.900 5.321) 5.810 2.018 ( -2.696 -0.981 0.893) 3.004 2.048 ( 0.428 -0.475 -0.582) 0.864 2.197 ( -2.201 0.663 -1.396) 2.689 2.369 ( 0.205 -2.213 -2.435) 3.297 2.511 ( 2.981 -2.069 1.324) 3.863 2.525 ( 2.322 -2.962 -5.307) 6.505 2.759 ( 2.369 6.672 -2.281) 7.439 2.924 ( 2.886 0.036 -1.322) 3.175 3.180 ( -11.059 -4.322 -3.887) 12.493 3.579 ( -1.117 4.196 -0.828) 4.420 4.710 ( 0.033 -4.995 5.321) 7.298 4.795 ( 9.090 -7.994 0.457) 12.114 8.793 ( -5.639 -0.395 -6.317) 8.476 9.443 ( 3.960 4.476 18.028) 18.993 10.397 ( -8.200 -15.008 2.070) 17.227 11.389 ( -6.308 -4.150 -4.403) 8.741 11.686 ( -0.808 8.255 -8.241) 11.693 11.940 ( -10.084 11.196 3.249) 15.414 12.647 ( -8.737 -1.499 -10.169) 13.491 13.533 ( -10.121 6.427 -18.746) 22.252 13.824 ( 0.572 3.248 -2.218) 3.975 14.296 ( 0.864 0.034 -4.959) 5.034 14.670 ( 8.190 -6.762 17.220) 20.232 15.397 ( 17.353 3.062 6.293) 18.711 ======================= Grid point 328 (160/306) ======================= q-point: (-0.10 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -2.696 7.334 8.186) 11.317 0.978 ( 2.437 3.311 14.372) 14.949 1.204 ( 1.401 4.044 0.966) 4.388 1.501 ( 1.129 -4.881 8.831) 10.153 1.659 ( 1.593 1.936 2.125) 3.287 1.919 ( -0.207 -0.241 2.671) 2.690 2.013 ( -1.166 0.930 3.490) 3.795 2.053 ( 1.074 0.198 -0.344) 1.145 2.133 ( -3.299 1.483 -2.335) 4.305 2.374 ( 0.513 -1.810 -1.678) 2.521 2.521 ( 0.076 0.477 -2.524) 2.570 2.565 ( 3.631 -1.680 -2.512) 4.724 2.717 ( 3.749 2.558 0.214) 4.544 2.937 ( 2.577 0.343 -2.107) 3.346 3.083 ( -8.525 -4.862 -3.738) 10.502 3.475 ( -3.323 5.331 -3.397) 7.142 4.819 ( -0.994 -6.655 5.031) 8.402 4.982 ( 7.667 -4.590 -0.009) 8.936 8.682 ( -9.844 -2.396 -1.216) 10.204 9.637 ( 6.035 4.013 17.848) 19.263 10.452 ( -5.034 -13.240 -7.062) 15.828 11.136 ( -16.525 7.856 -10.517) 21.104 11.611 ( 1.082 1.843 1.976) 2.911 11.796 ( -1.925 6.165 3.858) 7.523 12.423 ( -5.869 4.515 -10.841) 13.129 13.178 ( -5.364 4.954 -20.681) 21.932 13.823 ( 2.200 0.703 1.580) 2.799 14.225 ( -2.723 0.463 -5.712) 6.345 15.000 ( 4.191 -7.850 15.029) 17.466 15.631 ( 18.286 2.046 3.669) 18.762 ======================= Grid point 331 (161/306) ======================= q-point: ( 0.20 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 2.358 0.000 7.939) 8.282 1.209 ( -3.530 -0.000 1.243) 3.742 1.401 ( 2.232 0.000 1.844) 2.895 1.525 ( 5.669 0.000 -5.747) 8.073 1.758 ( 3.990 0.000 -4.584) 6.077 1.833 ( -0.383 -0.000 2.461) 2.491 2.008 ( -2.350 -0.000 -2.325) 3.306 2.115 ( -2.242 -0.000 0.265) 2.258 2.141 ( -6.647 -0.000 1.847) 6.899 2.160 ( 0.761 0.000 4.874) 4.933 2.439 ( -2.486 -0.000 0.471) 2.530 2.684 ( 3.696 0.000 -2.665) 4.557 2.768 ( 0.985 0.000 -4.050) 4.168 2.873 ( -8.509 -0.000 -3.392) 9.161 3.043 ( 1.669 0.000 6.542) 6.751 3.488 ( 14.987 0.000 3.656) 15.427 4.771 ( -9.238 -0.000 -3.330) 9.820 4.833 ( -9.367 -0.000 -3.908) 10.150 8.668 ( -11.729 -0.000 29.019) 31.300 9.446 ( -0.559 -0.000 -16.768) 16.778 10.221 ( -1.298 -0.000 -10.624) 10.703 11.294 ( 13.049 0.000 12.224) 17.880 11.544 ( -1.458 -0.000 3.195) 3.512 12.343 ( 7.917 0.000 4.091) 8.911 12.658 ( 12.341 0.000 -4.193) 13.034 12.757 ( 20.152 0.000 4.615) 20.673 13.810 ( -1.595 -0.000 -0.610) 1.707 13.968 ( -1.309 -0.000 2.712) 3.011 15.207 ( -8.402 -0.000 -2.036) 8.645 15.786 ( -3.243 -0.000 -11.120) 11.583 ======================= Grid point 332 (162/306) ======================= q-point: (-0.70 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -1.967 0.533 -1.107) 2.319 1.249 ( 0.318 -1.079 1.370) 1.773 1.371 ( -2.366 5.541 -0.161) 6.027 1.598 ( 6.796 -3.013 -3.983) 8.434 1.764 ( 3.080 1.935 -3.021) 4.729 1.812 ( -1.395 -1.112 -1.171) 2.134 1.963 ( -0.894 -0.259 0.410) 1.017 2.085 ( -1.193 1.040 0.431) 1.640 2.117 ( -1.673 1.547 5.512) 5.965 2.247 ( -0.135 -4.643 1.106) 4.775 2.405 ( -2.637 0.730 -0.430) 2.770 2.659 ( -0.133 3.038 -1.663) 3.466 2.755 ( -6.630 -1.533 -2.183) 7.146 2.777 ( 3.517 -0.424 -1.417) 3.815 3.166 ( 2.239 -2.906 8.996) 9.715 3.678 ( 13.412 0.911 2.138) 13.612 4.551 ( -11.022 8.022 -4.062) 14.225 4.722 ( -9.837 -6.226 -5.264) 12.777 8.859 ( -9.971 -1.274 31.899) 33.445 9.306 ( 0.988 -0.906 -12.104) 12.178 10.066 ( -1.267 4.145 -12.276) 13.019 11.506 ( 5.814 1.868 5.297) 8.084 11.617 ( 4.325 -4.991 5.705) 8.727 12.413 ( 2.622 0.746 -0.556) 2.783 12.750 ( 12.323 6.769 2.950) 14.366 13.123 ( 19.938 -9.627 5.916) 22.917 13.836 ( 4.350 0.336 2.969) 5.277 13.986 ( -1.944 -1.937 2.786) 3.911 15.049 ( -9.623 2.064 -5.522) 11.285 15.601 ( -6.164 1.135 -13.265) 14.671 ======================= Grid point 333 (163/306) ======================= q-point: (-0.60 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -2.643 1.657 -3.951) 5.034 1.231 ( -7.991 4.583 2.440) 9.529 1.292 ( 1.861 -1.796 -1.485) 2.983 1.532 ( -0.669 6.391 -6.785) 9.345 1.789 ( 5.721 2.954 0.221) 6.442 1.873 ( 4.859 -6.099 -1.207) 7.891 1.976 ( -0.358 -0.499 1.494) 1.615 2.069 ( -1.883 0.290 1.708) 2.558 2.160 ( -0.295 -0.582 5.330) 5.370 2.264 ( -2.840 -2.175 -1.972) 4.085 2.352 ( -1.317 1.436 -2.579) 3.232 2.585 ( -4.935 2.385 0.072) 5.481 2.750 ( 1.713 -1.898 1.629) 3.031 2.816 ( 3.413 -1.162 -0.426) 3.630 3.323 ( 3.081 -2.987 8.531) 9.550 3.805 ( 8.885 3.096 -0.481) 9.421 4.295 ( -9.684 5.783 -3.691) 11.868 4.639 ( -8.598 -6.383 -4.102) 11.467 9.055 ( -4.335 1.325 20.075) 20.580 9.278 ( -2.961 -4.596 4.630) 7.164 9.870 ( -1.234 5.132 -11.310) 12.481 11.533 ( 2.141 2.890 -1.389) 3.855 11.800 ( 4.301 -5.537 4.946) 8.580 12.417 ( -0.098 -2.110 -1.506) 2.595 12.807 ( 6.203 10.859 5.776) 13.775 13.524 ( 17.841 -9.487 6.855) 21.338 13.948 ( 6.624 -0.362 4.271) 7.890 14.027 ( 0.071 -3.078 2.476) 3.951 14.840 ( -9.325 2.946 -8.019) 12.646 15.366 ( -6.451 2.448 -13.514) 15.174 ======================= Grid point 334 (164/306) ======================= q-point: (-0.50 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -7.050 5.500 -2.083) 9.181 1.149 ( -6.795 1.724 5.780) 9.085 1.345 ( 3.716 -2.321 -0.960) 4.485 1.386 ( 2.819 9.329 -5.558) 11.219 1.798 ( 3.373 4.304 0.115) 5.470 1.963 ( 0.475 -1.332 -0.034) 1.415 2.004 ( 2.421 -2.150 0.155) 3.241 2.059 ( -3.381 -0.132 1.599) 3.742 2.201 ( -0.973 0.019 2.302) 2.499 2.229 ( -2.353 -2.031 -0.001) 3.108 2.315 ( 0.161 -1.443 -2.394) 2.800 2.511 ( -4.610 -0.198 -0.727) 4.671 2.810 ( 4.484 -0.807 -1.570) 4.819 2.889 ( 3.670 -0.102 4.974) 6.183 3.457 ( 3.569 -0.518 4.377) 5.671 3.731 ( -5.750 6.680 -4.626) 9.954 4.221 ( 3.858 -1.855 1.227) 4.453 4.588 ( -7.587 -6.315 -2.098) 10.091 9.117 ( 5.727 4.777 0.051) 7.458 9.360 ( -13.738 -1.831 15.525) 20.811 9.776 ( -0.198 -2.627 2.481) 3.619 11.474 ( 0.173 2.489 -6.071) 6.564 11.919 ( 2.136 -2.286 1.786) 3.603 12.442 ( -1.530 -5.684 -1.163) 6.000 12.752 ( -0.281 14.032 5.865) 15.211 13.878 ( 13.806 -7.087 7.019) 17.032 13.993 ( -2.732 -1.108 -1.505) 3.310 14.145 ( 7.292 -1.596 4.645) 8.792 14.603 ( -8.054 4.381 -11.535) 14.734 15.176 ( -0.969 1.562 -7.618) 7.837 ======================= Grid point 335 (165/306) ======================= q-point: (-0.40 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.944 6.528 6.830) 9.495 1.128 ( -6.330 2.068 9.425) 11.541 1.259 ( 5.130 10.424 -5.038) 12.663 1.409 ( 2.004 -2.560 -0.702) 3.326 1.781 ( 2.512 4.400 0.161) 5.069 1.933 ( -3.180 2.737 0.000) 4.195 2.023 ( -3.695 -0.019 2.680) 4.565 2.041 ( 0.931 0.507 -0.027) 1.060 2.220 ( -1.335 -0.334 0.698) 1.543 2.255 ( 3.203 -5.436 -3.009) 6.990 2.342 ( 0.106 -3.230 1.366) 3.509 2.468 ( -3.109 -2.049 -1.538) 4.028 2.845 ( 4.269 -1.037 -3.402) 5.556 2.972 ( 3.242 2.939 5.908) 7.352 3.372 ( -8.640 6.280 -8.118) 13.416 3.643 ( 0.558 0.785 3.881) 3.998 4.377 ( 10.189 -5.470 2.588) 11.851 4.564 ( -7.340 -6.258 0.105) 9.646 9.046 ( 0.977 6.818 -9.726) 11.918 9.375 ( -5.946 1.213 16.493) 17.574 9.935 ( -3.762 -9.767 13.184) 16.834 11.379 ( -1.040 -0.110 -8.140) 8.207 11.934 ( 1.009 2.646 -1.560) 3.234 12.438 ( -6.107 0.729 -1.796) 6.408 12.635 ( -3.239 7.384 3.930) 8.970 13.892 ( -6.400 2.525 -4.085) 8.001 14.107 ( 3.955 -3.768 -6.380) 8.399 14.296 ( 4.572 -2.576 9.131) 10.532 14.338 ( -0.807 6.832 -8.921) 11.266 15.196 ( 8.587 -1.736 1.423) 8.876 ======================= Grid point 336 (166/306) ======================= q-point: (-0.30 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 2.418 5.943 10.981) 12.718 1.112 ( -2.717 9.680 9.149) 13.594 1.214 ( 6.507 2.181 1.535) 7.033 1.418 ( -2.109 -0.119 -0.817) 2.264 1.758 ( 1.695 3.976 -0.323) 4.334 1.879 ( -0.878 1.345 0.820) 1.803 2.023 ( -2.321 0.094 4.500) 5.064 2.041 ( 0.714 0.673 -0.376) 1.051 2.202 ( -1.660 -0.316 -1.338) 2.155 2.309 ( 0.973 -2.978 -1.874) 3.651 2.416 ( 2.511 -5.016 -0.560) 5.637 2.460 ( -0.435 -3.139 -0.855) 3.282 2.863 ( 4.289 -0.084 -4.888) 6.503 3.006 ( 2.226 6.395 5.260) 8.574 3.110 ( -12.890 1.223 -7.108) 14.771 3.669 ( 1.702 3.386 1.203) 3.976 4.569 ( -6.781 -7.736 1.913) 10.463 4.610 ( 11.602 -6.746 3.187) 13.794 8.849 ( -5.299 5.157 -7.895) 10.817 9.517 ( 1.471 1.723 18.632) 18.769 10.107 ( -5.238 -10.322 7.055) 13.555 11.297 ( -3.233 -3.404 -7.911) 9.199 11.868 ( 2.845 7.180 -3.586) 8.515 12.224 ( -12.670 11.299 -0.750) 16.993 12.592 ( -3.733 -0.862 -1.078) 3.980 13.688 ( -8.591 6.207 -12.089) 16.077 13.927 ( -1.867 4.637 -10.015) 11.193 14.287 ( 1.922 -0.559 -4.902) 5.295 14.548 ( 7.063 -3.784 15.488) 17.438 15.392 ( 13.612 -2.831 4.227) 14.531 ======================= Grid point 337 (167/306) ======================= q-point: (-0.20 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -1.869 7.729 7.065) 10.637 1.096 ( -0.362 6.862 12.137) 13.947 1.301 ( 2.162 3.630 0.943) 4.330 1.410 ( 2.649 -2.224 5.607) 6.588 1.725 ( 1.813 3.595 -1.141) 4.185 1.880 ( -1.151 -1.738 -1.079) 2.347 2.037 ( 0.760 0.104 -1.062) 1.309 2.070 ( 1.904 1.301 7.139) 7.503 2.160 ( -2.862 0.719 -1.197) 3.184 2.322 ( -0.658 -2.542 -1.420) 2.985 2.456 ( 2.146 -4.045 -5.014) 6.791 2.540 ( 3.751 -2.845 2.253) 5.220 2.821 ( 1.754 4.808 -5.670) 7.638 2.938 ( -7.236 -2.966 -2.385) 8.176 3.004 ( -1.378 2.833 2.443) 3.986 3.614 ( -0.446 6.310 -2.345) 6.747 4.625 ( -6.007 -9.440 4.344) 12.003 4.847 ( 10.322 -6.642 1.784) 12.404 8.675 ( -8.261 2.347 -1.942) 8.805 9.714 ( 3.633 2.010 17.938) 18.412 10.186 ( -4.192 -9.685 -2.703) 10.894 11.190 ( -8.394 -1.758 -8.103) 11.799 11.779 ( 5.021 10.882 -3.157) 12.393 11.961 ( -9.665 8.043 2.340) 12.790 12.510 ( -3.973 2.894 -3.832) 6.233 13.345 ( -5.887 8.978 -17.938) 20.905 13.852 ( 2.137 1.605 -1.040) 2.868 14.234 ( -1.533 0.267 -6.374) 6.561 14.829 ( 3.912 -6.340 15.268) 16.988 15.626 ( 14.412 -2.532 2.410) 14.830 ======================= Grid point 338 (168/306) ======================= q-point: (-0.10 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -1.076 7.402 8.411) 11.255 1.156 ( -2.266 3.592 13.401) 14.057 1.254 ( -1.231 1.965 0.403) 2.354 1.570 ( 5.493 -2.122 6.004) 8.410 1.698 ( 2.118 1.921 -2.120) 3.559 1.853 ( -3.702 -2.190 -2.890) 5.182 2.034 ( 1.004 0.058 -1.548) 1.846 2.081 ( -1.302 1.960 -2.874) 3.714 2.168 ( 0.923 2.272 7.579) 7.966 2.344 ( 0.567 -3.118 0.187) 3.175 2.471 ( 2.001 -2.448 -5.422) 6.276 2.597 ( 1.370 2.091 0.882) 2.651 2.787 ( 4.033 -1.231 1.155) 4.373 2.893 ( -3.817 -4.655 -4.065) 7.264 2.980 ( -0.179 3.286 1.823) 3.762 3.476 ( -2.443 7.924 -4.724) 9.543 4.722 ( -5.587 -10.604 4.373) 12.758 5.016 ( 5.838 -3.838 0.149) 6.988 8.569 ( -10.597 0.448 5.885) 12.130 9.869 ( 2.786 2.152 6.882) 7.730 10.213 ( -3.217 -10.303 -3.642) 11.391 10.989 ( -5.898 5.930 -6.695) 10.714 11.663 ( -4.681 6.524 2.542) 8.422 11.920 ( 7.202 4.042 2.758) 8.707 12.385 ( -0.202 6.398 -3.396) 7.246 13.026 ( -0.715 8.463 -17.162) 19.149 13.879 ( 2.982 0.596 1.680) 3.475 14.127 ( -4.231 0.772 -6.604) 7.881 15.072 ( -0.044 -7.441 12.139) 14.238 15.813 ( 11.806 -1.831 -1.411) 12.030 ======================= Grid point 342 (169/306) ======================= q-point: ( 0.30 0.30 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -1.725 -0.000 -2.741) 3.238 1.260 ( 2.699 0.000 -1.255) 2.976 1.306 ( -11.776 -0.000 -1.211) 11.838 1.639 ( 9.084 0.000 -5.161) 10.448 1.756 ( -0.324 -0.000 -0.578) 0.663 1.827 ( 5.485 0.000 -0.675) 5.527 1.970 ( -0.382 -0.000 1.692) 1.734 2.083 ( -0.343 -0.000 -0.264) 0.433 2.163 ( -2.368 -0.000 6.221) 6.656 2.216 ( -1.323 -0.000 -0.951) 1.630 2.373 ( -1.837 -0.000 -2.275) 2.924 2.626 ( -9.555 -0.000 -0.152) 9.556 2.716 ( 4.016 0.000 3.506) 5.331 2.800 ( 4.778 0.000 -2.656) 5.466 3.283 ( 3.629 0.000 10.034) 10.670 3.847 ( 11.622 0.000 0.899) 11.657 4.420 ( -14.622 -0.000 -8.074) 16.703 4.508 ( -7.652 -0.000 -1.887) 7.881 9.066 ( -11.349 -0.000 34.778) 36.583 9.227 ( 4.172 0.000 -8.255) 9.249 9.938 ( -0.954 -0.000 -14.848) 14.879 11.641 ( 2.059 0.000 1.411) 2.497 11.647 ( 4.279 0.000 3.801) 5.723 12.402 ( -1.500 -0.000 -1.623) 2.210 12.979 ( 12.431 0.000 3.078) 12.807 13.364 ( 16.840 0.000 9.414) 19.293 13.958 ( 8.170 0.000 5.346) 9.764 13.976 ( -2.479 -0.000 3.359) 4.174 14.875 ( -9.378 -0.000 -8.793) 12.855 15.396 ( -6.384 -0.000 -13.737) 15.148 ======================= Grid point 343 (170/306) ======================= q-point: (-0.60 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -4.735 1.977 -2.144) 5.561 1.177 ( -7.431 0.866 2.514) 7.892 1.293 ( 3.707 -1.444 -1.369) 4.207 1.611 ( 5.741 8.869 -4.295) 11.404 1.835 ( 3.933 -6.140 -1.270) 7.401 1.875 ( 4.736 0.333 0.104) 4.749 1.979 ( -0.974 -0.289 1.489) 1.803 2.068 ( -1.421 0.904 0.469) 1.749 2.181 ( -2.732 -1.655 -2.529) 4.074 2.202 ( -1.483 -0.360 5.032) 5.258 2.315 ( -2.026 0.666 -3.222) 3.864 2.517 ( -8.961 0.365 0.967) 9.021 2.792 ( 4.069 -0.479 -1.454) 4.347 2.873 ( 5.919 -0.705 5.109) 7.850 3.433 ( 5.680 -0.834 7.399) 9.365 3.919 ( 3.048 7.294 -2.772) 8.377 4.181 ( -8.362 -2.089 -4.268) 9.617 4.448 ( -6.556 -4.392 -0.685) 7.921 9.209 ( 4.305 3.072 3.517) 6.352 9.287 ( -12.350 -3.217 24.827) 27.915 9.778 ( 1.002 0.957 -13.026) 13.100 11.563 ( -2.120 4.668 -5.535) 7.544 11.796 ( 3.454 -6.423 3.690) 8.173 12.378 ( -1.125 -0.542 -0.368) 1.302 13.058 ( 5.235 10.102 3.396) 11.874 13.669 ( 11.836 -8.301 6.490) 15.847 13.987 ( -1.877 0.084 3.150) 3.668 14.116 ( 7.162 -0.752 5.846) 9.276 14.677 ( -6.331 1.714 -9.582) 11.612 15.203 ( -2.534 0.696 -11.444) 11.742 ======================= Grid point 344 (171/306) ======================= q-point: (-0.50 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.647 4.281 5.597) 7.076 1.146 ( -3.296 0.538 4.203) 5.368 1.346 ( 2.763 -2.515 -0.778) 3.817 1.521 ( 5.510 10.940 -3.339) 12.696 1.864 ( 2.444 2.253 -1.167) 3.523 1.952 ( 0.408 -1.489 0.043) 1.544 2.003 ( 2.439 -2.838 -0.204) 3.748 2.038 ( -2.778 0.546 0.883) 2.966 2.151 ( -1.557 -2.898 -2.173) 3.942 2.226 ( -1.332 0.697 1.836) 2.373 2.278 ( -1.225 -1.967 0.031) 2.317 2.435 ( -7.292 -0.858 1.133) 7.429 2.819 ( 3.667 -0.994 -3.343) 5.060 2.990 ( 1.898 -0.556 5.142) 5.509 3.544 ( 6.527 4.445 -3.102) 8.484 3.712 ( -7.860 8.092 2.064) 11.468 4.232 ( 3.969 -8.190 -0.949) 9.150 4.436 ( -4.748 -3.844 1.975) 6.420 9.210 ( 2.654 6.654 -6.436) 9.630 9.372 ( -10.863 -1.159 20.135) 22.908 9.768 ( 1.268 -4.935 3.855) 6.389 11.403 ( -4.412 1.901 -9.947) 11.046 11.928 ( 2.414 -3.138 3.714) 5.428 12.374 ( -0.878 -1.287 -0.886) 1.792 12.953 ( -2.351 14.449 2.125) 14.792 13.894 ( 1.055 -7.235 -2.801) 7.830 13.983 ( 0.191 -0.275 1.878) 1.908 14.229 ( -0.105 -2.710 3.744) 4.623 14.518 ( 2.195 6.694 -5.411) 8.883 15.146 ( 6.001 -2.130 -3.903) 7.469 ======================= Grid point 345 (172/306) ======================= q-point: (-0.40 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 2.024 4.809 8.631) 10.086 1.180 ( 0.060 0.773 8.913) 8.947 1.384 ( -0.113 -2.268 -1.093) 2.520 1.429 ( 6.282 11.387 -1.856) 13.137 1.845 ( 2.432 3.335 -1.458) 4.377 1.921 ( -2.574 1.925 -0.841) 3.322 2.007 ( -1.839 -0.831 1.786) 2.695 2.065 ( 1.167 0.200 1.218) 1.698 2.165 ( 0.256 -3.478 -3.492) 4.935 2.238 ( 0.898 -2.183 1.352) 2.720 2.310 ( -0.651 -3.763 0.893) 3.922 2.393 ( -4.288 -2.264 1.000) 4.951 2.836 ( 2.858 -1.436 -3.673) 4.870 2.999 ( -6.936 -2.205 -1.941) 7.533 3.363 ( -0.647 14.611 -2.231) 14.794 3.732 ( 4.200 2.034 3.999) 6.146 4.351 ( -3.263 -10.596 -1.046) 11.136 4.497 ( 4.723 -3.446 4.651) 7.471 9.014 ( -5.337 8.533 -7.233) 12.394 9.519 ( 0.105 -1.547 16.676) 16.748 9.906 ( -2.423 -7.236 7.409) 10.636 11.242 ( -4.570 -1.286 -10.209) 11.259 11.989 ( 2.418 2.435 2.547) 4.274 12.342 ( -4.316 0.700 -2.801) 5.192 12.753 ( -4.952 13.387 1.569) 14.360 13.802 ( -6.353 2.862 -7.814) 10.469 13.965 ( -3.195 -1.399 -8.358) 9.057 14.262 ( -0.720 -2.677 -1.809) 3.311 14.536 ( 7.934 3.884 9.228) 12.775 15.295 ( 12.021 -5.060 1.623) 13.143 ======================= Grid point 346 (173/306) ======================= q-point: (-0.30 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -1.594 4.387 7.080) 8.480 1.252 ( -3.100 5.175 10.874) 12.435 1.359 ( -2.926 0.070 -2.066) 3.583 1.427 ( 11.431 5.537 2.784) 13.003 1.816 ( 2.739 4.057 -1.683) 5.177 1.867 ( -2.060 0.718 -1.233) 2.505 2.028 ( 0.987 -0.808 -0.044) 1.276 2.093 ( 0.996 0.581 5.112) 5.241 2.157 ( -0.981 -1.319 -2.522) 3.010 2.264 ( -2.011 -2.214 -1.043) 3.167 2.361 ( 0.475 -3.827 -0.569) 3.898 2.440 ( 3.178 -5.047 1.963) 6.279 2.832 ( -6.318 -3.844 -3.440) 8.156 2.871 ( -2.404 -0.371 -8.117) 8.473 3.226 ( 0.960 13.347 4.899) 14.250 3.754 ( 3.536 5.461 -0.822) 6.557 4.400 ( -8.364 -9.952 3.089) 13.362 4.692 ( 9.948 -6.426 2.760) 12.160 8.793 ( -6.706 7.591 -3.002) 10.564 9.715 ( 1.521 -2.074 15.315) 15.530 9.993 ( -3.688 -7.168 0.131) 8.062 11.129 ( -4.289 -2.649 -6.984) 8.613 12.000 ( 5.910 6.357 1.503) 8.809 12.161 ( -10.915 8.687 -3.349) 14.346 12.608 ( -2.590 7.208 1.603) 7.825 13.547 ( -6.217 7.154 -14.828) 17.598 13.881 ( -0.115 0.678 -2.918) 2.998 14.237 ( -0.547 -0.191 -5.057) 5.090 14.721 ( 3.731 -2.466 13.081) 13.824 15.527 ( 13.082 -5.613 1.514) 14.315 ======================= Grid point 347 (174/306) ======================= q-point: (-0.20 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -2.192 5.828 6.602) 9.075 1.252 ( -3.388 4.241 10.371) 11.705 1.283 ( -6.066 0.804 -0.201) 6.122 1.559 ( 9.000 1.697 4.585) 10.242 1.782 ( 2.533 4.449 -1.847) 5.442 1.820 ( -2.409 -0.382 -2.788) 3.705 2.036 ( 1.427 0.050 -1.539) 2.099 2.117 ( -0.781 0.861 -2.834) 3.063 2.184 ( 1.365 -0.428 5.829) 6.002 2.258 ( -0.553 -3.787 -1.109) 3.984 2.400 ( 1.640 -3.015 -1.854) 3.900 2.577 ( 4.669 -4.075 2.273) 6.601 2.720 ( -7.319 -4.722 -3.365) 9.337 2.842 ( 3.409 -0.008 -5.316) 6.315 3.141 ( -1.510 10.342 5.480) 11.802 3.670 ( 1.040 8.587 -4.224) 9.626 4.467 ( -8.423 -11.045 5.288) 14.863 4.895 ( 8.201 -6.286 0.694) 10.356 8.639 ( -7.267 5.701 4.222) 10.155 9.866 ( 2.461 -2.987 0.350) 3.886 10.012 ( -6.563 -7.015 2.617) 9.957 11.055 ( -2.139 0.577 -2.808) 3.577 11.891 ( -8.786 11.289 -0.941) 14.336 12.031 ( 8.291 5.819 2.080) 10.340 12.525 ( -1.389 6.037 1.112) 6.293 13.247 ( -1.385 9.605 -14.966) 17.837 13.883 ( 2.028 -0.321 0.469) 2.107 14.156 ( -1.961 1.652 -6.183) 6.694 14.915 ( -0.600 -5.694 11.931) 13.233 15.733 ( 11.030 -4.892 -1.569) 12.168 ======================= Grid point 348 (175/306) ======================= q-point: (-0.10 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -1.206 5.265 7.986) 9.640 1.219 ( -4.718 -1.466 0.552) 4.971 1.288 ( -2.897 2.660 10.695) 11.396 1.661 ( 1.176 -1.191 2.256) 2.809 1.727 ( 1.502 3.582 -1.934) 4.339 1.779 ( 1.654 1.128 -3.227) 3.798 2.035 ( 1.552 0.335 -1.424) 2.132 2.064 ( -1.597 1.697 -1.550) 2.799 2.200 ( -1.977 -1.453 -1.134) 2.703 2.339 ( 2.942 -2.684 1.980) 4.448 2.428 ( 1.804 -1.800 -2.610) 3.648 2.602 ( -2.911 -2.744 -1.511) 4.277 2.748 ( 0.085 -1.561 -0.804) 1.758 2.888 ( 8.777 -3.362 1.611) 9.536 3.059 ( -3.485 6.918 3.969) 8.704 3.517 ( 0.448 10.165 -4.956) 11.318 4.552 ( -8.523 -11.546 4.481) 15.034 5.021 ( 3.645 -3.808 -1.522) 5.487 8.579 ( -7.957 4.080 12.662) 15.501 9.817 ( 1.575 -2.961 -18.199) 18.506 10.077 ( -9.444 -7.489 8.673) 14.849 11.033 ( 5.669 4.748 2.584) 7.833 11.704 ( -6.261 7.142 2.509) 9.824 12.101 ( 10.631 4.903 2.041) 11.883 12.460 ( 0.963 5.994 0.670) 6.107 13.028 ( 6.339 10.171 -10.291) 15.797 13.921 ( 0.584 -1.088 0.791) 1.466 14.042 ( -1.672 3.407 -5.295) 6.515 15.067 ( -4.168 -7.210 8.799) 12.115 15.852 ( 6.798 -3.574 -5.602) 9.507 ======================= Grid point 353 (176/306) ======================= q-point: ( 0.40 0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.469 -0.000 5.158) 5.179 1.155 ( -2.416 -0.000 3.222) 4.027 1.312 ( 2.884 0.000 -1.064) 3.074 1.709 ( 6.697 0.000 -5.969) 8.971 1.825 ( 3.906 0.000 1.239) 4.098 1.919 ( 2.902 0.000 -0.261) 2.914 1.977 ( -1.408 -0.000 1.397) 1.984 2.065 ( -1.156 -0.000 0.205) 1.174 2.103 ( -3.042 -0.000 -2.894) 4.199 2.231 ( -1.087 -0.000 3.643) 3.802 2.262 ( -2.363 -0.000 -2.507) 3.445 2.425 ( -9.435 -0.000 2.528) 9.768 2.806 ( 3.610 0.000 -3.394) 4.955 2.979 ( 1.622 0.000 4.443) 4.730 3.574 ( 10.275 0.000 2.625) 10.605 3.943 ( -13.981 -0.000 -0.769) 14.003 4.022 ( 4.168 0.000 -3.776) 5.624 4.395 ( -1.394 -0.000 2.830) 3.154 9.311 ( 9.677 0.000 -0.772) 9.707 9.341 ( -18.352 -0.000 19.472) 26.757 9.706 ( 2.301 0.000 -2.445) 3.357 11.435 ( -7.561 -0.000 -10.994) 13.343 11.869 ( 5.300 0.000 5.979) 7.990 12.370 ( -0.288 -0.000 0.298) 0.415 13.166 ( -0.572 -0.000 -0.737) 0.933 13.745 ( 3.412 0.000 1.588) 3.764 14.006 ( -1.815 -0.000 3.359) 3.817 14.191 ( -1.541 -0.000 1.313) 2.024 14.603 ( 3.812 0.000 -2.353) 4.479 15.117 ( 4.743 0.000 -7.636) 8.989 ======================= Grid point 354 (177/306) ======================= q-point: (-0.50 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.665 1.818 6.148) 6.446 1.203 ( 4.161 0.915 8.132) 9.181 1.332 ( 0.191 -1.588 -0.709) 1.750 1.664 ( 4.877 7.770 -4.072) 10.037 1.895 ( 2.728 0.023 0.016) 2.729 1.940 ( -0.052 -0.357 -0.638) 0.733 1.992 ( 0.569 -1.529 0.054) 1.632 2.035 ( 0.550 0.258 0.604) 0.857 2.087 ( -0.854 -2.743 -0.945) 3.024 2.219 ( -1.744 -0.067 -0.331) 1.777 2.249 ( -1.624 -1.348 1.091) 2.376 2.361 ( -7.104 -0.625 3.603) 7.990 2.811 ( 2.005 -0.621 -3.402) 3.997 2.959 ( -6.734 -0.967 -3.286) 7.555 3.677 ( 10.571 9.027 -5.076) 14.799 3.786 ( -3.711 5.135 9.157) 11.135 4.087 ( -2.785 -11.689 -2.480) 12.270 4.446 ( 2.694 -1.038 4.250) 5.138 9.209 ( -9.606 6.975 -0.259) 11.874 9.453 ( 5.734 -3.589 5.078) 8.459 9.778 ( -3.201 -3.250 10.273) 11.240 11.232 ( -6.804 0.050 -10.961) 12.901 11.990 ( 2.573 -1.004 6.369) 6.942 12.366 ( 0.444 1.066 -0.629) 1.315 13.053 ( -4.051 9.605 -2.490) 10.718 13.747 ( -4.939 -5.332 -7.765) 10.636 13.985 ( -3.190 2.866 0.988) 4.401 14.172 ( -3.283 -3.718 0.565) 4.992 14.666 ( 7.582 4.706 4.022) 9.788 15.185 ( 11.629 -3.479 -2.220) 12.339 ======================= Grid point 355 (178/306) ======================= q-point: (-0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -2.010 2.191 5.623) 6.361 1.324 ( -2.523 -1.438 -1.132) 3.117 1.346 ( 3.376 2.494 9.398) 10.292 1.600 ( 5.479 7.300 -1.181) 9.204 1.892 ( 0.528 2.198 -1.549) 2.740 1.914 ( 0.895 2.905 -0.696) 3.119 2.004 ( -0.525 -1.037 2.465) 2.726 2.090 ( 1.732 -1.899 -0.297) 2.587 2.104 ( 0.694 -1.651 -0.499) 1.859 2.221 ( -1.992 -1.615 0.259) 2.577 2.275 ( 1.245 -3.847 2.096) 4.555 2.352 ( -1.913 -1.810 2.608) 3.707 2.753 ( -10.654 -2.583 -4.963) 12.034 2.859 ( 1.749 -0.544 -6.817) 7.058 3.556 ( 0.296 14.511 2.436) 14.717 3.855 ( 7.697 3.110 0.525) 8.318 4.160 ( -7.025 -11.053 1.780) 13.217 4.568 ( 6.563 -3.917 3.482) 8.399 9.001 ( -6.468 9.541 -1.889) 11.680 9.616 ( 4.030 -6.166 3.818) 8.297 9.860 ( -7.097 -4.021 8.539) 11.809 11.087 ( -3.346 -0.945 -6.328) 7.220 12.065 ( -0.890 0.254 5.566) 5.642 12.325 ( 0.176 5.101 -2.081) 5.512 12.855 ( -3.155 12.456 -0.793) 12.874 13.605 ( -7.602 -2.897 -13.716) 15.947 13.915 ( -2.256 3.283 0.422) 4.006 14.199 ( -1.665 -3.497 -0.369) 3.891 14.741 ( 4.880 3.910 7.116) 9.473 15.385 ( 13.447 -6.098 -0.277) 14.768 ======================= Grid point 356 (179/306) ======================= q-point: (-0.30 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -3.078 2.467 6.489) 7.594 1.263 ( -6.115 -1.166 -2.688) 6.781 1.382 ( -3.463 5.483 8.316) 10.546 1.625 ( 6.802 3.024 1.755) 7.648 1.832 ( -3.423 1.623 -1.945) 4.258 1.894 ( 4.189 4.752 -1.043) 6.420 2.032 ( -0.090 -0.780 0.510) 0.937 2.102 ( 0.525 -1.783 -3.238) 3.734 2.161 ( 3.245 -1.258 4.051) 5.340 2.204 ( -2.448 -0.795 0.168) 2.579 2.343 ( -0.371 -1.731 2.249) 2.862 2.455 ( 6.372 -5.706 2.186) 8.828 2.607 ( -8.829 -4.602 -5.083) 11.179 2.843 ( 4.077 -0.071 -5.827) 7.112 3.412 ( -3.279 12.181 2.962) 12.958 3.859 ( 6.065 7.314 -4.039) 10.324 4.223 ( -9.199 -9.869 6.235) 14.862 4.743 ( 7.992 -6.433 1.270) 10.338 8.823 ( -4.825 9.742 2.511) 11.157 9.727 ( 3.848 -8.386 -10.347) 13.864 9.888 ( -12.018 -3.953 12.585) 17.845 11.053 ( 1.255 -0.210 0.184) 1.285 12.050 ( -8.395 2.601 2.546) 9.150 12.237 ( 6.407 10.141 -0.652) 12.013 12.702 ( -1.959 9.934 1.796) 10.284 13.400 ( -3.501 1.903 -13.924) 14.483 13.883 ( -0.220 1.170 1.202) 1.692 14.187 ( -0.686 0.262 -2.971) 3.061 14.832 ( -0.047 -0.847 8.561) 8.603 15.599 ( 11.766 -6.405 -2.152) 13.568 ======================= Grid point 357 (180/306) ======================= q-point: (-0.20 -0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -3.780 2.920 6.348) 7.944 1.177 ( -6.594 -1.561 -1.522) 6.945 1.359 ( -5.035 3.707 9.198) 11.122 1.671 ( 0.975 1.225 0.557) 1.662 1.749 ( -2.576 0.429 -2.772) 3.808 1.878 ( 5.041 5.105 -1.256) 7.284 2.035 ( -0.876 -0.872 -0.239) 1.259 2.086 ( 1.570 0.282 -3.936) 4.247 2.177 ( -1.779 0.455 0.635) 1.943 2.277 ( 4.768 -2.539 2.378) 5.902 2.377 ( -0.086 -2.265 0.543) 2.331 2.494 ( -5.763 -5.100 -2.454) 8.078 2.693 ( 9.076 -4.251 3.124) 10.498 2.839 ( 5.067 -0.621 -4.224) 6.626 3.256 ( -6.876 9.055 2.397) 11.620 3.761 ( 3.945 10.623 -5.071) 12.414 4.298 ( -9.315 -9.907 6.979) 15.285 4.902 ( 5.949 -6.180 -1.270) 8.672 8.725 ( -4.094 8.352 9.411) 13.232 9.690 ( 3.572 -7.361 -21.376) 22.888 9.933 ( -15.170 -5.585 14.795) 21.914 11.108 ( 5.970 2.091 4.106) 7.542 11.885 ( -8.857 7.356 0.591) 11.528 12.252 ( 10.042 7.730 2.676) 12.952 12.598 ( -2.985 6.382 1.409) 7.185 13.235 ( 4.665 6.414 -9.249) 12.184 13.893 ( -0.271 -0.652 0.903) 1.146 14.129 ( 1.015 3.499 -3.674) 5.174 14.922 ( -4.517 -4.821 7.757) 10.189 15.745 ( 7.916 -5.460 -5.840) 11.251 ======================= Grid point 358 (181/306) ======================= q-point: (-0.10 -0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -5.276 -1.337 1.819) 5.739 1.146 ( -3.362 -0.075 4.486) 5.607 1.368 ( -4.252 1.369 8.554) 9.650 1.601 ( -4.078 0.313 -4.413) 6.017 1.745 ( 1.151 -1.235 -1.150) 2.043 1.871 ( 5.653 4.905 -0.857) 7.533 2.022 ( -2.270 -0.948 -1.431) 2.846 2.065 ( 2.405 2.082 -1.391) 3.472 2.158 ( -1.227 0.906 0.445) 1.589 2.362 ( 3.083 -1.463 -0.118) 3.415 2.399 ( -0.712 -2.938 -1.510) 3.379 2.487 ( -2.753 -4.881 -0.443) 5.621 2.763 ( 3.106 1.515 -2.561) 4.301 2.987 ( 10.227 -4.653 4.316) 12.036 3.095 ( -8.508 5.980 1.379) 10.490 3.632 ( 4.621 11.591 -3.328) 12.914 4.364 ( -9.626 -9.875 4.757) 14.588 4.983 ( 1.806 -3.739 -3.480) 5.418 8.720 ( -4.330 6.438 16.103) 17.875 9.588 ( 2.734 -4.908 -19.972) 20.747 9.941 ( -14.306 -6.040 8.313) 17.614 11.228 ( 10.298 2.479 6.499) 12.427 11.728 ( -5.645 5.956 0.679) 8.234 12.321 ( 9.999 6.784 4.274) 12.817 12.512 ( -2.847 3.109 -0.280) 4.225 13.194 ( 12.957 8.663 -2.243) 15.746 13.881 ( -2.359 0.058 -1.683) 2.898 14.080 ( 3.518 4.412 -1.319) 5.795 14.986 ( -7.567 -6.951 5.309) 11.566 15.784 ( 2.693 -4.093 -9.878) 11.027 ======================= Grid point 364 (182/306) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -1.761 -0.000 4.866) 5.175 1.296 ( -3.421 -0.000 -1.030) 3.573 1.382 ( 6.904 0.000 8.851) 11.226 1.700 ( 1.402 0.000 -3.780) 4.031 1.924 ( 0.021 0.000 -2.563) 2.563 1.938 ( 0.763 0.000 3.233) 3.322 2.006 ( -0.230 -0.000 1.608) 1.625 2.051 ( 2.952 0.000 -0.110) 2.954 2.081 ( 3.721 0.000 0.779) 3.801 2.196 ( -1.338 -0.000 0.303) 1.372 2.225 ( -1.428 -0.000 1.016) 1.752 2.337 ( -3.476 -0.000 3.942) 5.255 2.722 ( -11.537 -0.000 -5.617) 12.832 2.852 ( 2.477 0.000 -6.459) 6.918 3.864 ( 11.248 0.000 -0.300) 11.252 3.886 ( -5.677 -0.000 -6.663) 8.753 3.900 ( -1.601 -0.000 10.632) 10.752 4.521 ( 4.183 0.000 3.729) 5.604 9.150 ( -8.872 -0.000 2.058) 9.108 9.506 ( 8.197 0.000 -6.337) 10.361 9.814 ( -9.217 -0.000 13.817) 16.609 11.078 ( -3.363 -0.000 -6.040) 6.913 12.061 ( -1.511 -0.000 6.679) 6.848 12.386 ( 2.167 0.000 -0.259) 2.183 13.047 ( -0.611 -0.000 -3.356) 3.411 13.521 ( -10.313 -0.000 -11.973) 15.802 13.988 ( -3.140 -0.000 1.718) 3.579 14.124 ( -2.280 -0.000 2.200) 3.168 14.814 ( 4.938 0.000 4.349) 6.580 15.297 ( 14.267 0.000 -1.702) 14.368 ======================= Grid point 365 (183/306) ======================= q-point: (-0.40 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -3.647 1.135 5.596) 6.775 1.232 ( -6.416 -1.200 -1.644) 6.731 1.487 ( 1.079 2.817 4.875) 5.733 1.673 ( 0.428 1.034 -0.541) 1.243 1.881 ( -1.995 1.958 -2.130) 3.514 1.979 ( 0.489 -0.294 2.673) 2.734 1.988 ( -1.905 0.307 -0.040) 1.930 2.087 ( 0.649 0.188 0.927) 1.147 2.145 ( 5.057 -0.050 1.505) 5.276 2.192 ( -1.223 -0.153 1.229) 1.741 2.307 ( 4.701 -2.259 4.777) 7.073 2.354 ( 3.201 -1.689 1.370) 3.870 2.524 ( -10.282 -2.155 -7.048) 12.650 2.840 ( 4.343 -0.091 -5.540) 7.039 3.667 ( -7.587 8.666 -3.459) 12.026 3.986 ( 8.342 2.506 -1.539) 8.845 4.018 ( -2.950 -6.520 7.546) 10.400 4.623 ( 5.309 -3.194 2.061) 6.530 9.051 ( -3.650 8.240 2.940) 9.479 9.521 ( 3.034 -7.752 -12.878) 15.335 9.824 ( -13.581 -1.483 13.369) 19.115 11.052 ( 2.630 0.048 1.500) 3.028 12.075 ( -5.958 0.263 4.882) 7.707 12.401 ( 3.736 3.580 0.718) 5.224 12.970 ( 0.998 11.413 -0.902) 11.492 13.316 ( -8.079 -7.413 -12.880) 16.916 13.948 ( -2.144 3.307 1.924) 4.386 14.151 ( -1.317 -2.590 2.213) 3.653 14.870 ( 1.294 2.575 3.354) 4.422 15.464 ( 13.168 -4.123 -3.017) 14.124 ======================= Grid point 366 (184/306) ======================= q-point: (-0.30 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -8.585 -1.152 -0.965) 8.715 1.186 ( -5.146 0.612 5.696) 7.701 1.460 ( -4.161 4.564 4.286) 7.518 1.679 ( 0.318 -0.815 -0.423) 0.972 1.785 ( -4.921 2.692 -2.680) 6.216 1.964 ( -1.368 0.195 -0.534) 1.482 1.996 ( 0.141 -0.128 -0.076) 0.205 2.104 ( 1.556 0.714 1.006) 1.985 2.197 ( -0.674 0.455 2.091) 2.243 2.232 ( 5.579 -1.059 1.492) 5.871 2.337 ( -2.154 -0.670 0.867) 2.416 2.402 ( -2.515 -2.613 -2.874) 4.628 2.578 ( 12.859 -4.935 4.253) 14.415 2.836 ( 4.308 0.050 -5.383) 6.895 3.439 ( -10.802 6.126 -3.524) 12.908 3.986 ( 7.896 7.681 -5.434) 12.284 4.114 ( -7.263 -5.199 10.450) 13.747 4.753 ( 5.825 -6.109 -0.609) 8.463 8.951 ( -1.088 10.704 5.184) 11.943 9.495 ( 2.272 -9.366 -18.045) 20.457 9.817 ( -17.430 -3.977 15.654) 23.763 11.142 ( 6.708 0.976 5.284) 8.595 12.008 ( -8.149 3.151 2.229) 9.017 12.421 ( 6.118 5.778 3.439) 9.091 12.783 ( -5.979 9.680 -3.804) 11.997 13.271 ( 4.012 -3.419 -5.838) 7.866 13.916 ( -1.077 2.414 1.957) 3.289 14.176 ( 0.639 0.156 0.491) 0.821 14.870 ( -3.226 0.463 3.136) 4.523 15.612 ( 9.747 -5.550 -6.328) 12.879 ======================= Grid point 367 (185/306) ======================= q-point: (-0.20 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -9.076 -2.565 -0.372) 9.439 1.177 ( -5.638 0.514 6.107) 8.328 1.404 ( -5.699 2.431 5.171) 8.070 1.627 ( -4.570 1.411 -4.297) 6.430 1.716 ( -0.163 -0.876 -2.563) 2.713 1.944 ( -0.768 0.376 0.023) 0.855 1.995 ( 0.017 -0.423 -0.751) 0.862 2.119 ( 2.423 2.158 0.620) 3.303 2.199 ( -0.698 1.498 2.017) 2.607 2.309 ( 0.465 -2.524 -0.689) 2.657 2.332 ( 2.048 -1.397 -0.453) 2.520 2.415 ( 1.249 -1.803 0.345) 2.220 2.784 ( 6.438 0.109 -1.187) 6.547 2.882 ( 10.362 -3.857 1.938) 11.225 3.212 ( -12.440 3.704 -2.744) 13.267 3.902 ( 5.991 10.725 -5.050) 13.282 4.181 ( -8.294 -5.225 8.762) 13.147 4.867 ( 4.075 -6.034 -3.108) 7.917 8.892 ( -1.191 8.046 7.535) 11.088 9.448 ( 4.681 -6.609 -17.039) 18.866 9.822 ( -18.693 -4.521 17.124) 25.750 11.269 ( 8.375 1.307 5.000) 9.842 11.873 ( -7.162 6.004 0.243) 9.349 12.474 ( 3.383 5.157 6.730) 9.129 12.589 ( -3.383 4.312 -4.881) 7.339 13.336 ( 11.253 3.129 -0.098) 11.680 13.897 ( -1.091 1.552 0.935) 2.115 14.175 ( 3.384 3.245 -0.934) 4.781 14.856 ( -7.480 -3.703 3.039) 8.883 15.676 ( 4.776 -5.081 -10.602) 12.690 ======================= Grid point 368 (186/306) ======================= q-point: (-0.10 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -7.532 -5.021 1.139) 9.123 1.163 ( -5.380 0.150 4.690) 7.139 1.382 ( -5.225 -1.023 4.270) 6.825 1.524 ( -1.447 0.883 -5.449) 5.707 1.685 ( -2.312 -1.823 -4.729) 5.571 1.943 ( 0.225 0.453 1.543) 1.623 1.992 ( 0.460 0.053 -0.887) 1.000 2.122 ( 1.115 2.482 1.193) 2.971 2.186 ( -0.909 2.155 1.692) 2.886 2.303 ( -3.119 -2.528 -0.908) 4.117 2.382 ( 4.264 -0.517 -1.910) 4.701 2.464 ( 2.640 -1.439 0.695) 3.086 2.792 ( 3.773 1.297 -3.003) 4.993 3.002 ( -10.199 1.568 -1.237) 10.393 3.121 ( 8.829 -3.402 4.958) 10.682 3.800 ( 5.877 10.499 -3.473) 12.523 4.215 ( -8.515 -5.173 5.515) 11.388 4.914 ( 0.709 -3.596 -4.561) 5.851 8.885 ( -1.935 3.522 7.891) 8.855 9.425 ( 5.380 -3.384 -10.858) 12.582 9.819 ( -16.349 -1.303 16.195) 23.050 11.419 ( 10.063 -0.873 4.795) 11.181 11.723 ( -5.244 5.370 -2.011) 7.770 12.441 ( -7.883 -2.697 0.115) 8.332 12.582 ( 9.044 8.738 6.000) 13.933 13.449 ( 14.555 5.935 2.497) 15.916 13.873 ( 0.346 2.140 0.208) 2.177 14.165 ( 4.282 4.156 -1.618) 6.182 14.842 ( -9.655 -6.633 2.079) 11.897 15.625 ( -1.035 -4.126 -14.511) 15.121 ======================= Grid point 375 (187/306) ======================= q-point: (-0.40 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -8.854 -0.000 -1.318) 8.952 1.190 ( -6.464 -0.000 6.355) 9.065 1.530 ( -0.900 -0.000 0.082) 0.903 1.656 ( -3.158 -0.000 1.082) 3.339 1.837 ( -4.454 -0.000 -2.568) 5.141 1.926 ( -5.650 -0.000 1.462) 5.836 2.018 ( 0.449 0.000 -0.448) 0.634 2.106 ( -0.257 -0.000 3.624) 3.633 2.195 ( -0.041 -0.000 1.250) 1.250 2.227 ( 5.502 0.000 0.890) 5.574 2.350 ( -0.951 -0.000 2.918) 3.069 2.366 ( -2.333 -0.000 -5.401) 5.883 2.507 ( 15.933 0.000 5.043) 16.712 2.837 ( 4.340 0.000 -5.352) 6.890 3.515 ( -13.420 -0.000 -7.681) 15.462 4.021 ( -4.968 -0.000 8.903) 10.195 4.119 ( 10.530 0.000 -1.658) 10.659 4.668 ( 4.292 0.000 0.088) 4.293 9.150 ( 2.364 0.000 6.157) 6.595 9.312 ( -1.098 -0.000 -18.082) 18.116 9.768 ( -17.823 -0.000 14.797) 23.165 11.154 ( 6.989 0.000 5.658) 8.993 12.042 ( -7.240 -0.000 3.566) 8.071 12.490 ( 3.711 0.000 4.112) 5.539 12.962 ( -12.475 -0.000 -14.945) 19.467 13.165 ( 9.814 0.000 3.969) 10.586 13.959 ( -2.340 -0.000 1.697) 2.890 14.162 ( 0.137 0.000 3.947) 3.950 14.894 ( -2.157 -0.000 -0.191) 2.165 15.534 ( 10.869 0.000 -6.578) 12.704 ======================= Grid point 376 (188/306) ======================= q-point: (-0.30 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -10.282 -0.686 -0.078) 10.305 1.167 ( -9.136 -0.676 6.970) 11.511 1.475 ( -3.573 2.780 -1.164) 4.675 1.630 ( -3.650 -1.235 -1.688) 4.206 1.736 ( -4.651 2.346 -1.368) 5.386 1.896 ( -4.636 -2.910 0.719) 5.520 2.003 ( -1.952 0.214 0.560) 2.042 2.143 ( 0.984 0.156 1.903) 2.148 2.201 ( -0.572 -0.409 0.502) 0.864 2.300 ( 4.833 0.256 0.831) 4.911 2.335 ( 3.828 1.634 -1.251) 4.346 2.382 ( 1.618 -1.305 1.117) 2.360 2.759 ( 14.405 -1.485 5.598) 15.526 2.836 ( 4.791 -0.424 -4.643) 6.685 3.264 ( -15.176 0.947 -6.478) 16.527 4.025 ( -2.903 -0.037 0.488) 2.944 4.192 ( 4.371 4.680 4.310) 7.719 4.731 ( 4.029 -4.466 -2.462) 6.499 9.068 ( -1.193 6.277 -8.295) 10.471 9.302 ( 6.644 -5.381 -5.777) 10.319 9.741 ( -20.207 -2.051 23.887) 31.355 11.291 ( 7.414 0.521 4.322) 8.597 11.976 ( -6.911 2.409 2.262) 7.660 12.540 ( -7.278 1.184 3.104) 8.000 12.699 ( 0.903 3.579 -7.945) 8.761 13.352 ( 11.801 -0.627 5.022) 12.841 13.940 ( -2.031 1.450 1.750) 3.049 14.212 ( 1.994 0.192 3.013) 3.618 14.828 ( -5.888 0.553 -2.118) 6.282 15.570 ( 6.684 -3.161 -11.213) 13.431 ======================= Grid point 377 (189/306) ======================= q-point: (-0.20 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -10.478 -2.181 1.691) 10.836 1.139 ( -10.110 -2.009 6.511) 12.192 1.383 ( -5.010 1.350 -1.680) 5.454 1.553 ( -1.839 1.097 -5.068) 5.502 1.669 ( -3.910 0.675 -0.703) 4.030 1.892 ( -4.625 -4.452 0.601) 6.448 1.990 ( -2.091 -0.081 2.166) 3.011 2.152 ( -0.346 0.545 -0.296) 0.710 2.204 ( -0.504 0.043 1.083) 1.195 2.327 ( 2.832 2.936 0.679) 4.135 2.379 ( 5.412 0.356 -0.866) 5.492 2.440 ( 4.411 -0.926 0.424) 4.527 2.819 ( 4.141 1.010 -4.015) 5.856 3.002 ( 0.839 -1.406 1.584) 2.278 3.054 ( -2.350 -1.909 0.071) 3.029 3.965 ( -1.601 2.137 -4.315) 5.074 4.211 ( 0.073 5.570 6.952) 8.908 4.801 ( 2.792 -5.704 -4.230) 7.630 8.934 ( -1.975 0.794 -5.946) 6.316 9.346 ( 5.557 -2.813 -8.806) 10.786 9.840 ( -14.124 2.158 34.372) 37.223 11.396 ( 6.389 -0.815 1.225) 6.556 11.861 ( -6.590 5.818 -0.442) 8.802 12.368 ( -12.707 -3.343 -4.986) 14.054 12.762 ( 9.723 6.112 7.778) 13.870 13.538 ( 12.723 1.945 4.616) 13.673 13.919 ( -0.903 1.618 1.731) 2.536 14.250 ( 3.962 2.647 -0.031) 4.765 14.727 ( -9.381 -2.735 -1.503) 9.886 15.523 ( 1.013 -4.300 -16.282) 16.870 ======================= Grid point 378 (190/306) ======================= q-point: (-0.10 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -8.612 -5.004 3.249) 10.477 1.097 ( -10.854 -2.824 2.935) 11.593 1.302 ( -5.328 -1.962 -3.179) 6.507 1.491 ( 2.477 1.522 -4.917) 5.712 1.597 ( -6.821 -0.122 0.730) 6.861 1.901 ( -5.221 -5.602 0.805) 7.700 2.001 ( -0.941 0.042 3.105) 3.244 2.120 ( -1.774 0.941 -1.222) 2.351 2.210 ( -0.404 0.728 2.042) 2.206 2.327 ( 3.047 3.855 0.466) 4.936 2.411 ( 3.311 0.745 -1.750) 3.818 2.506 ( 6.057 -0.139 -1.156) 6.168 2.819 ( 4.023 0.910 -3.360) 5.320 2.868 ( -9.554 -0.846 -1.177) 9.664 3.241 ( 8.317 -2.677 5.386) 10.264 3.866 ( -1.985 2.654 -5.223) 6.186 4.214 ( 0.190 4.816 5.902) 7.620 4.831 ( 0.252 -3.635 -4.382) 5.699 8.886 ( -0.784 -2.104 -2.029) 3.026 9.345 ( 1.452 -4.885 -7.718) 9.249 9.982 ( -9.018 12.301 34.546) 37.763 11.523 ( 8.459 -5.367 1.476) 10.126 11.692 ( -5.828 5.706 -3.872) 9.029 12.273 ( -9.209 -6.876 -1.214) 11.557 12.858 ( 6.248 9.570 9.133) 14.630 13.688 ( 11.198 3.240 3.294) 12.114 13.938 ( 4.053 1.335 3.038) 5.238 14.227 ( 2.426 4.175 -4.173) 6.382 14.664 ( -9.143 -6.225 0.171) 11.062 15.372 ( -4.652 -4.889 -19.396) 20.536 ======================= Grid point 386 (191/306) ======================= q-point: (-0.30 -0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -11.496 -0.000 2.061) 11.679 1.108 ( -11.958 -0.000 7.096) 13.905 1.409 ( -4.895 -0.000 -4.968) 6.975 1.562 ( -1.730 -0.000 -3.650) 4.039 1.706 ( -3.961 -0.000 2.169) 4.516 1.805 ( -8.033 -0.000 -0.557) 8.052 1.989 ( -2.942 -0.000 3.196) 4.344 2.163 ( 0.575 0.000 0.039) 0.577 2.200 ( 0.462 0.000 -0.130) 0.480 2.364 ( 3.800 0.000 1.055) 3.944 2.406 ( 1.906 0.000 1.869) 2.669 2.412 ( 8.135 0.000 -1.770) 8.326 2.833 ( 4.138 0.000 -4.695) 6.258 2.975 ( 10.082 0.000 5.104) 11.301 3.034 ( -11.460 -0.000 -3.855) 12.091 3.973 ( -5.389 -0.000 -1.075) 5.496 4.321 ( 4.870 0.000 3.828) 6.194 4.709 ( 2.954 0.000 -4.190) 5.127 8.939 ( -2.726 -0.000 -11.011) 11.343 9.312 ( 4.469 0.000 -8.185) 9.326 9.873 ( -10.582 -0.000 41.896) 43.211 11.386 ( 4.594 0.000 -0.416) 4.613 11.943 ( -5.976 -0.000 2.665) 6.543 12.318 ( -15.420 -0.000 -9.631) 18.180 12.837 ( 10.093 0.000 8.344) 13.095 13.557 ( 12.425 0.000 6.137) 13.858 13.939 ( -2.472 -0.000 2.164) 3.285 14.276 ( 3.013 0.000 3.032) 4.274 14.707 ( -8.285 -0.000 -5.510) 9.950 15.463 ( 1.864 0.000 -17.232) 17.332 ======================= Grid point 387 (192/306) ======================= q-point: (-0.20 -0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -11.498 -1.377 4.183) 12.312 1.031 ( -13.453 -1.968 3.792) 14.115 1.288 ( -6.978 0.050 -3.717) 7.906 1.519 ( 2.194 0.827 -4.490) 5.066 1.632 ( -9.132 3.225 1.736) 9.839 1.752 ( -7.395 -6.293 1.590) 9.840 2.000 ( -1.724 -0.017 4.102) 4.449 2.154 ( 0.336 1.422 -1.163) 1.868 2.210 ( 0.335 -0.552 0.423) 0.772 2.402 ( 2.669 1.653 0.891) 3.264 2.435 ( 3.434 1.573 -0.043) 3.777 2.496 ( 8.251 -0.811 -2.568) 8.679 2.836 ( 3.831 0.410 -3.831) 5.433 2.843 ( -10.079 -0.842 -2.529) 10.425 3.191 ( 10.013 -1.289 5.947) 11.717 3.882 ( -6.633 -0.194 -3.190) 7.363 4.372 ( 4.053 6.250 4.192) 8.548 4.725 ( 2.294 -4.459 -4.398) 6.671 8.845 ( -1.548 -1.120 -3.719) 4.181 9.255 ( -0.564 -2.238 -7.995) 8.321 10.246 ( 1.609 7.781 46.053) 46.733 11.409 ( 2.372 -3.436 -4.153) 5.889 11.851 ( -7.006 7.113 -0.261) 9.987 12.107 ( -11.329 -6.975 -5.774) 14.503 13.028 ( 8.608 4.248 10.510) 14.234 13.734 ( 9.723 0.951 3.465) 10.365 13.946 ( -0.048 -0.214 3.673) 3.679 14.320 ( 3.464 2.686 -1.164) 4.536 14.558 ( -9.305 -2.236 -3.083) 10.055 15.261 ( -5.045 -3.611 -23.375) 24.185 ======================= Grid point 388 (193/306) ======================= q-point: (-0.10 -0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -9.465 -4.180 5.289) 11.620 0.892 ( -16.223 -3.984 -3.224) 17.013 1.198 ( -6.925 -0.887 1.334) 7.108 1.505 ( -2.290 -0.824 1.490) 2.853 1.525 ( -4.395 0.895 -0.003) 4.485 1.770 ( -5.267 -5.580 2.305) 8.012 2.023 ( -1.247 -0.003 3.585) 3.795 2.119 ( 0.320 2.476 -1.816) 3.087 2.225 ( -0.167 -0.382 1.085) 1.162 2.412 ( 2.418 2.787 0.745) 3.764 2.441 ( 2.562 2.116 -1.739) 3.751 2.560 ( 7.680 0.045 -4.676) 8.992 2.746 ( -5.408 -1.861 -1.356) 5.877 2.851 ( 3.932 0.352 -1.986) 4.420 3.354 ( 5.771 -1.070 4.790) 7.576 3.763 ( -7.652 -0.302 -4.310) 8.787 4.386 ( 5.851 7.452 4.185) 10.357 4.758 ( 0.963 -3.380 -2.784) 4.484 8.850 ( 0.554 -2.010 1.730) 2.710 9.211 ( -1.653 -4.699 -6.083) 7.862 10.500 ( -0.825 23.316 34.169) 41.374 11.531 ( 8.407 -11.164 1.181) 14.025 11.652 ( -6.176 6.780 -3.887) 9.961 12.069 ( -8.217 -8.421 -0.468) 11.775 13.099 ( 1.548 9.124 5.935) 10.994 13.826 ( 4.599 -0.065 1.227) 4.761 14.044 ( 6.471 -1.366 5.462) 8.577 14.235 ( -0.999 5.960 -5.555) 8.209 14.512 ( -6.047 -4.020 -1.174) 7.356 15.011 ( -7.530 -9.592 -21.200) 24.457 ======================= Grid point 397 (194/306) ======================= q-point: (-0.20 -0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -11.463 -0.000 6.250) 13.056 0.843 ( -17.170 -0.000 -3.352) 17.494 1.188 ( -8.939 -0.000 3.678) 9.666 1.508 ( -15.941 -0.000 3.505) 16.322 1.526 ( 4.348 0.000 -3.393) 5.515 1.700 ( -1.645 -0.000 3.281) 3.670 2.023 ( -1.393 -0.000 3.764) 4.013 2.162 ( 0.763 0.000 -1.013) 1.268 2.210 ( 0.446 0.000 -0.201) 0.489 2.438 ( 1.301 0.000 0.278) 1.331 2.485 ( 2.385 0.000 0.233) 2.396 2.552 ( 9.813 0.000 -6.510) 11.776 2.721 ( -6.176 -0.000 -1.573) 6.373 2.856 ( 4.223 0.000 -2.540) 4.928 3.341 ( 6.900 0.000 5.224) 8.654 3.756 ( -8.654 -0.000 -3.566) 9.360 4.504 ( 4.251 0.000 4.209) 5.982 4.690 ( 3.914 0.000 -2.998) 4.930 8.828 ( -0.141 -0.000 3.946) 3.948 9.151 ( -1.570 -0.000 -7.036) 7.209 10.893 ( 17.020 0.000 44.699) 47.829 11.304 ( -1.665 -0.000 -9.618) 9.761 11.836 ( -9.573 -0.000 -7.705) 12.289 11.876 ( -6.122 -0.000 4.984) 7.895 13.214 ( 2.803 0.000 4.737) 5.505 13.823 ( 2.576 0.000 -0.634) 2.653 14.025 ( 4.974 0.000 8.284) 9.662 14.331 ( 0.389 0.000 -6.089) 6.101 14.472 ( -2.338 -0.000 5.450) 5.930 14.844 ( -15.900 -0.000 -29.951) 33.910 ======================= Grid point 398 (195/306) ======================= q-point: (-0.10 -0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -16.356 -1.777 -0.040) 16.452 0.657 ( -10.339 -3.969 6.854) 13.024 1.151 ( -6.743 -0.167 5.987) 9.018 1.403 ( -13.621 -2.425 8.536) 16.257 1.548 ( 3.219 -0.187 -1.337) 3.490 1.730 ( 0.016 -1.049 2.666) 2.865 2.040 ( -1.417 -0.005 2.914) 3.241 2.138 ( 0.535 2.669 -2.044) 3.404 2.219 ( -0.108 -1.083 -0.189) 1.105 2.442 ( 0.405 0.775 -0.554) 1.035 2.493 ( 2.270 2.247 -0.681) 3.266 2.587 ( 7.857 0.074 -7.747) 11.034 2.667 ( -2.317 -1.964 -1.086) 3.226 2.883 ( 4.286 0.158 -1.999) 4.732 3.440 ( 2.385 0.654 3.209) 4.051 3.616 ( -9.145 -0.923 -3.695) 9.907 4.573 ( 6.126 4.156 4.400) 8.612 4.746 ( 5.485 -1.005 -0.487) 5.598 8.904 ( 1.783 0.913 7.824) 8.076 9.091 ( -1.196 -3.897 -4.705) 6.225 11.005 ( -1.397 23.003 1.931) 23.126 11.562 ( 13.418 -11.848 10.156) 20.580 11.630 ( -5.596 6.809 -3.084) 9.337 11.907 ( -6.565 -5.263 3.513) 9.118 13.155 ( -6.562 3.247 -6.388) 9.717 13.821 ( -0.386 -1.327 -2.693) 3.027 14.197 ( -2.090 7.126 3.265) 8.112 14.246 ( -1.352 2.482 -3.745) 4.692 14.325 ( -5.100 -1.949 -8.020) 9.702 14.678 ( 2.285 -16.270 3.132) 16.726 ======================= Grid point 408 (196/306) ======================= q-point: (-0.10 -0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -2.475 -0.000 12.614) 12.855 0.605 ( -8.374 -0.000 8.298) 11.789 1.139 ( -3.372 -0.000 2.791) 4.377 1.364 ( -11.265 -0.000 16.800) 20.228 1.560 ( -0.085 -0.000 0.894) 0.898 1.770 ( 2.874 0.000 2.125) 3.574 2.049 ( -1.622 -0.000 2.417) 2.911 2.131 ( -0.643 -0.000 -3.267) 3.330 2.200 ( -0.397 -0.000 -1.287) 1.347 2.438 ( 0.040 0.000 -1.715) 1.716 2.515 ( 0.471 0.000 -0.294) 0.555 2.600 ( 8.422 0.000 -9.136) 12.426 2.628 ( -0.882 -0.000 -0.064) 0.885 2.911 ( 4.131 0.000 -2.499) 4.828 3.453 ( -10.330 -0.000 -3.947) 11.058 3.487 ( -0.120 -0.000 1.241) 1.246 4.701 ( 4.544 0.000 5.260) 6.950 4.848 ( 10.850 0.000 -0.123) 10.851 8.976 ( -1.780 -0.000 -7.800) 8.000 9.080 ( 3.901 0.000 15.920) 16.391 11.017 ( -0.334 -0.000 -15.250) 15.254 11.599 ( -1.260 -0.000 -2.641) 2.926 11.626 ( -2.912 -0.000 -1.695) 3.369 11.822 ( -15.520 -0.000 2.106) 15.662 12.926 ( -12.406 -0.000 -15.707) 20.016 13.739 ( -6.735 -0.000 -16.192) 17.537 13.824 ( -13.137 -0.000 -6.088) 14.479 14.314 ( 1.609 0.000 -2.280) 2.790 14.656 ( 24.805 0.000 22.785) 33.681 14.722 ( 4.859 0.000 14.548) 15.338 ======================= Grid point 409 (197/306) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -1.619 -0.000 11.683) 11.795 1.191 ( 2.358 0.000 3.558) 4.269 1.230 ( 0.644 0.000 12.857) 12.873 1.590 ( -1.381 -0.000 -0.875) 1.635 1.701 ( 3.561 0.000 -5.365) 6.440 1.948 ( -2.930 -0.000 -9.293) 9.744 2.015 ( 2.328 0.000 5.927) 6.368 2.050 ( -1.276 -0.000 3.123) 3.373 2.166 ( -5.246 -0.000 8.419) 9.920 2.365 ( 4.176 0.000 -0.260) 4.184 2.481 ( -3.257 -0.000 -0.772) 3.348 2.529 ( 3.621 0.000 -3.155) 4.803 2.755 ( 7.792 0.000 4.311) 8.905 2.893 ( 1.333 0.000 -0.547) 1.441 3.067 ( -7.672 -0.000 -4.083) 8.691 3.294 ( -4.418 -0.000 -7.127) 8.386 4.988 ( 2.806 0.000 3.151) 4.219 5.025 ( 3.018 0.000 0.067) 3.019 8.800 ( -7.092 -0.000 9.229) 11.639 9.792 ( 1.267 0.000 -1.759) 2.168 10.414 ( 11.999 0.000 -6.120) 13.469 10.821 ( -21.937 -0.000 -7.229) 23.097 11.758 ( 9.295 0.000 4.285) 10.235 11.782 ( -10.920 -0.000 6.018) 12.469 12.161 ( -1.779 -0.000 -5.350) 5.638 12.700 ( -4.665 -0.000 -19.624) 20.171 13.865 ( 2.460 0.000 2.503) 3.510 14.112 ( -3.595 -0.000 -5.511) 6.580 15.358 ( -0.685 -0.000 10.476) 10.499 15.650 ( 14.788 0.000 1.144) 14.832 ======================= Grid point 410 (198/306) ======================= q-point: ( 0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.672 -2.249 12.283) 12.506 1.249 ( 2.361 -1.003 1.069) 2.779 1.336 ( -3.654 -0.742 9.878) 10.558 1.565 ( -0.791 -1.110 -2.700) 3.024 1.703 ( 6.285 0.944 -2.884) 6.979 1.805 ( -3.063 1.294 -9.675) 10.230 2.048 ( -0.507 1.773 3.182) 3.677 2.074 ( -1.226 1.012 3.644) 3.975 2.212 ( -3.123 -2.658 5.216) 6.635 2.411 ( -3.970 1.159 -2.865) 5.031 2.422 ( 2.881 0.234 2.663) 3.930 2.542 ( 3.582 -0.733 -2.774) 4.590 2.875 ( -3.448 0.545 -3.777) 5.143 2.909 ( 10.011 2.100 4.899) 11.342 2.982 ( -0.560 -0.425 2.487) 2.585 3.196 ( -3.828 -4.751 -7.437) 9.620 4.973 ( -3.092 5.700 1.025) 6.565 5.047 ( 0.550 -0.564 -0.553) 0.963 8.828 ( -8.531 1.701 17.139) 19.220 9.673 ( -1.094 0.497 -17.926) 17.966 10.471 ( -7.359 6.563 0.943) 9.906 10.693 ( 8.249 -9.219 1.225) 12.432 11.706 ( -8.197 0.650 4.092) 9.185 11.926 ( 10.228 -0.571 3.954) 10.981 12.201 ( 5.799 -4.432 1.015) 7.369 12.533 ( 1.840 -5.514 -14.729) 15.835 13.921 ( 2.351 -0.022 3.017) 3.826 14.005 ( -4.984 0.251 -5.288) 7.271 15.398 ( -4.046 2.933 6.915) 8.532 15.771 ( 8.843 0.360 -4.396) 9.882 ======================= Grid point 411 (199/306) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -0.063 -1.075 7.521) 7.598 1.293 ( 2.400 -1.667 1.360) 3.223 1.365 ( -4.899 0.017 5.322) 7.234 1.540 ( -1.152 -2.899 -6.017) 6.778 1.688 ( 1.423 0.676 -6.685) 6.868 1.767 ( 4.890 0.298 2.476) 5.489 2.050 ( -1.693 -0.146 0.652) 1.820 2.071 ( -1.243 3.008 4.649) 5.675 2.210 ( -4.107 1.060 -0.304) 4.252 2.335 ( -1.365 -0.500 -2.796) 3.151 2.455 ( 0.082 0.957 1.408) 1.704 2.579 ( 3.943 -0.952 -1.900) 4.479 2.757 ( -3.200 2.923 -4.316) 6.117 3.005 ( -1.789 -2.448 4.169) 5.155 3.060 ( 5.503 1.706 2.822) 6.415 3.218 ( 5.126 -7.561 -1.405) 9.242 4.831 ( -8.059 8.035 0.082) 11.381 5.023 ( -1.656 0.435 -2.948) 3.409 8.913 ( -7.710 1.724 22.467) 23.816 9.465 ( 0.840 0.982 -19.134) 19.177 10.275 ( -12.184 2.189 -3.249) 12.799 11.003 ( 16.372 -5.067 8.616) 19.182 11.664 ( -5.718 -1.757 1.987) 6.303 12.077 ( 11.539 0.523 1.100) 11.603 12.350 ( 5.696 -4.610 3.522) 8.130 12.625 ( 12.743 -11.905 -4.283) 17.957 13.892 ( -4.984 0.473 -4.334) 6.622 13.980 ( 1.783 -0.582 3.312) 3.806 15.339 ( -7.520 4.251 3.375) 9.274 15.762 ( 3.612 1.890 -8.990) 9.871 ======================= Grid point 412 (200/306) ======================= q-point: (-0.70 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.817 0.876 -1.839) 2.195 1.321 ( -4.742 3.716 5.946) 8.464 1.364 ( -3.805 -3.760 -1.519) 5.561 1.510 ( 4.237 -1.704 -3.518) 5.764 1.696 ( 4.041 -1.489 -3.767) 5.722 1.817 ( 0.526 1.247 1.637) 2.124 2.004 ( -2.127 0.360 -2.029) 2.961 2.096 ( 0.260 0.736 5.698) 5.751 2.151 ( -3.365 -0.314 0.972) 3.517 2.320 ( 1.106 -0.660 -2.984) 3.250 2.437 ( -2.028 1.199 -0.236) 2.368 2.576 ( 0.095 2.979 -1.438) 3.309 2.693 ( 2.672 0.499 -3.160) 4.168 2.992 ( -7.952 -4.581 -0.448) 9.188 3.170 ( 7.273 1.157 5.804) 9.377 3.396 ( 8.760 -6.053 2.337) 10.901 4.617 ( -10.816 8.489 -0.812) 13.773 4.949 ( -2.940 0.559 -4.626) 5.510 9.012 ( -4.304 2.892 12.029) 13.099 9.350 ( 2.664 -0.534 -3.145) 4.156 10.087 ( -12.399 0.241 -2.135) 12.583 11.311 ( 14.002 -2.368 7.646) 16.129 11.641 ( -2.584 -1.127 -0.681) 2.900 12.228 ( 10.765 -3.879 0.163) 11.443 12.510 ( 4.807 -2.689 6.611) 8.604 12.946 ( 17.670 -12.183 2.061) 21.562 13.810 ( -2.166 -0.072 -2.198) 3.087 14.041 ( 1.187 -1.351 3.008) 3.504 15.196 ( -10.260 4.952 -0.374) 11.399 15.639 ( -0.834 3.204 -12.534) 12.964 ======================= Grid point 413 (201/306) ======================= q-point: (-0.60 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.452 2.222 -4.186) 4.957 1.275 ( -5.887 2.689 5.007) 8.183 1.321 ( -0.799 -2.819 -5.168) 5.941 1.524 ( -2.680 4.616 -2.794) 6.025 1.650 ( -0.553 1.211 -1.468) 1.982 1.868 ( 5.186 -4.063 -0.575) 6.613 1.992 ( -0.098 -0.404 0.339) 0.537 2.148 ( -2.508 -1.602 3.388) 4.509 2.172 ( 1.292 -1.544 4.498) 4.928 2.303 ( 2.093 0.054 -4.815) 5.250 2.374 ( -4.567 2.306 -0.174) 5.120 2.531 ( 0.563 3.087 0.017) 3.138 2.708 ( 4.206 -0.612 -3.326) 5.397 2.942 ( -7.698 -3.202 0.197) 8.340 3.295 ( 6.599 1.572 5.688) 8.853 3.584 ( 7.884 -5.479 1.479) 9.714 4.387 ( -10.761 6.411 -1.370) 12.601 4.863 ( -2.908 0.091 -4.497) 5.356 8.971 ( 0.930 4.072 -3.954) 5.752 9.444 ( 1.373 2.104 9.816) 10.133 9.987 ( -12.136 -6.923 7.504) 15.860 11.501 ( 3.796 -2.678 0.883) 4.729 11.632 ( 6.268 3.619 0.495) 7.255 12.405 ( 6.515 -5.629 1.301) 8.708 12.633 ( 1.649 -0.649 7.130) 7.346 13.321 ( 17.631 -9.886 5.141) 20.857 13.822 ( 3.748 -1.691 1.209) 4.286 14.093 ( 0.478 -1.628 1.540) 2.291 14.985 ( -11.321 5.191 -4.515) 13.248 15.428 ( -4.492 4.179 -14.132) 15.406 ======================= Grid point 414 (202/306) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -3.577 2.920 -3.986) 6.100 1.209 ( -7.748 4.605 3.276) 9.591 1.323 ( -2.526 0.901 -0.831) 2.808 1.345 ( -1.388 0.413 -5.185) 5.383 1.659 ( 0.367 1.072 2.028) 2.323 1.961 ( 3.664 -2.689 -1.290) 4.724 1.994 ( -0.320 0.847 0.874) 1.259 2.165 ( -4.140 -0.792 2.685) 4.998 2.221 ( -0.695 -0.213 1.735) 1.881 2.294 ( 2.709 -1.082 -5.706) 6.409 2.313 ( -0.754 0.062 2.829) 2.929 2.516 ( 0.932 1.456 -0.181) 1.738 2.730 ( 3.715 -0.712 -3.272) 5.001 2.897 ( -4.853 -0.137 1.631) 5.121 3.395 ( 4.813 1.660 4.412) 6.737 3.706 ( 2.687 -3.143 -1.309) 4.338 4.235 ( -4.531 0.736 -0.214) 4.595 4.796 ( -2.239 -0.192 -3.052) 3.790 8.911 ( 3.190 3.359 -3.766) 5.971 9.429 ( -2.610 6.791 1.751) 7.482 10.153 ( -7.574 -15.112 18.679) 25.192 11.497 ( -3.512 -3.148 -3.855) 6.091 11.704 ( 10.901 6.232 1.190) 12.612 12.456 ( -1.571 6.311 3.190) 7.244 12.756 ( 0.295 -9.774 3.492) 10.384 13.670 ( 14.862 -5.926 7.834) 17.815 13.948 ( 8.242 -2.624 3.629) 9.380 14.106 ( -1.546 -0.816 -1.345) 2.206 14.728 ( -10.772 4.818 -9.881) 15.391 15.182 ( -5.247 5.043 -10.926) 13.128 ======================= Grid point 415 (203/306) ======================= q-point: (-0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -6.968 3.180 -1.316) 7.771 1.042 ( -8.118 7.928 1.688) 11.471 1.263 ( -4.737 1.073 4.999) 6.970 1.401 ( 5.139 -3.668 -1.930) 6.602 1.661 ( -1.122 1.599 2.766) 3.386 1.940 ( -3.905 3.733 0.917) 5.479 2.008 ( 1.684 -0.434 -1.202) 2.114 2.120 ( -4.912 0.547 2.368) 5.481 2.246 ( 0.143 -0.547 0.673) 0.879 2.284 ( 3.351 -2.686 -5.099) 6.667 2.376 ( 2.268 -2.294 1.859) 3.723 2.509 ( 0.528 0.279 -1.041) 1.200 2.739 ( 2.688 0.478 -2.979) 4.041 2.868 ( -0.947 2.161 1.927) 3.046 3.446 ( 0.507 0.561 1.496) 1.676 3.684 ( -4.583 -0.087 -1.970) 4.989 4.288 ( 6.710 -5.335 1.260) 8.664 4.756 ( -1.306 -0.228 -1.107) 1.727 8.886 ( 2.418 1.509 -2.936) 4.093 9.343 ( -1.939 6.486 4.663) 8.220 10.424 ( -5.833 -15.980 11.162) 20.347 11.462 ( -3.872 -4.023 -1.913) 5.902 11.744 ( 7.878 5.090 -1.568) 9.509 12.334 ( -5.616 12.341 4.376) 14.248 12.882 ( -3.490 -11.781 -2.138) 12.471 13.917 ( 5.923 1.981 4.491) 7.693 14.058 ( -2.486 -3.079 -1.184) 4.131 14.116 ( 8.159 -1.811 2.484) 8.719 14.426 ( -9.716 3.942 -12.899) 16.623 15.031 ( 1.674 5.363 -0.950) 5.698 ======================= Grid point 416 (204/306) ======================= q-point: (-0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -3.583 3.547 6.913) 8.556 0.908 ( -5.613 6.838 4.104) 9.753 1.251 ( -3.566 2.291 4.996) 6.552 1.483 ( 1.089 -3.817 1.827) 4.369 1.663 ( -0.803 1.424 3.721) 4.065 1.858 ( -3.322 3.816 2.499) 5.643 2.013 ( 0.918 -0.187 -1.147) 1.481 2.099 ( -2.472 -1.157 0.500) 2.775 2.239 ( -1.191 0.673 0.038) 1.369 2.314 ( 3.998 -2.417 -4.995) 6.840 2.443 ( 2.260 -1.960 0.951) 3.139 2.502 ( 0.354 -0.609 -1.272) 1.454 2.715 ( 1.180 2.966 -2.218) 3.887 2.865 ( 1.860 1.835 0.734) 2.714 3.413 ( -7.026 -2.359 -2.238) 7.742 3.613 ( -2.859 2.262 -0.577) 3.691 4.491 ( 11.610 -6.996 1.842) 13.680 4.755 ( 0.477 -0.898 0.972) 1.407 8.858 ( -1.097 -1.027 -3.714) 4.006 9.358 ( 2.648 5.740 11.834) 13.417 10.562 ( -5.117 -12.333 -4.028) 13.947 11.470 ( -2.149 -4.478 0.593) 5.002 11.730 ( 0.052 1.174 -4.915) 5.053 12.153 ( -7.763 12.691 4.820) 15.638 12.865 ( -8.718 -6.073 -8.988) 13.917 13.823 ( -5.712 7.977 -14.277) 17.323 13.882 ( -12.819 -0.018 -7.646) 14.927 14.229 ( 4.524 -1.803 -1.616) 5.132 14.449 ( 9.513 -3.866 15.435) 18.539 15.072 ( 9.737 5.675 6.975) 13.254 ======================= Grid point 417 (205/306) ======================= q-point: (-0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -1.019 4.758 6.108) 7.810 0.850 ( 0.849 3.170 13.777) 14.162 1.217 ( -2.383 3.957 2.730) 5.365 1.559 ( -3.311 -4.348 6.844) 8.759 1.667 ( -1.657 0.862 2.316) 2.975 1.856 ( 3.061 1.301 2.722) 4.298 2.016 ( 0.307 0.176 0.594) 0.691 2.087 ( -1.614 -1.895 -2.113) 3.265 2.208 ( -3.062 1.539 1.463) 3.727 2.327 ( 3.568 -1.080 -4.865) 6.129 2.479 ( 1.897 -1.461 -2.447) 3.423 2.517 ( 1.143 -0.483 0.779) 1.465 2.670 ( 0.651 3.087 -0.810) 3.257 2.876 ( 2.606 1.305 -0.392) 2.941 3.314 ( -10.339 -3.779 -3.600) 11.582 3.538 ( -2.251 3.711 -2.455) 4.986 4.726 ( 11.223 -5.476 2.566) 12.749 4.813 ( 3.514 -2.548 2.143) 4.841 8.821 ( -3.494 -2.631 -2.075) 4.841 9.492 ( 5.804 4.445 15.859) 17.463 10.534 ( -2.279 -8.305 -14.945) 17.249 11.522 ( 2.262 -2.436 1.268) 3.558 11.570 ( -14.551 1.113 -8.963) 17.126 11.977 ( -9.464 7.977 5.199) 13.425 12.648 ( -12.160 2.151 -12.589) 17.635 13.394 ( -13.180 5.561 -21.319) 25.674 13.804 ( -1.486 -0.013 0.026) 1.486 14.243 ( 1.128 -0.467 -4.105) 4.283 14.827 ( 10.869 -7.799 18.681) 22.977 15.229 ( 13.942 6.156 9.305) 17.856 ======================= Grid point 418 (206/306) ======================= q-point: (-0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -3.753 3.061 9.101) 10.310 1.038 ( 6.307 1.219 14.352) 15.724 1.182 ( -1.012 2.623 3.069) 4.162 1.608 ( -1.982 -0.398 1.790) 2.700 1.685 ( -0.610 -3.126 1.627) 3.576 1.919 ( 3.759 0.098 3.390) 5.063 2.032 ( -0.423 0.880 3.676) 3.804 2.050 ( -1.374 -1.578 -6.730) 7.048 2.171 ( -5.026 2.150 5.600) 7.826 2.335 ( 3.661 -0.385 -3.172) 4.859 2.494 ( 1.407 -2.185 -2.634) 3.701 2.528 ( 0.843 1.281 -0.227) 1.550 2.667 ( 3.068 1.032 1.577) 3.600 2.885 ( 2.281 0.955 -0.852) 2.616 3.195 ( -9.860 -2.812 -4.120) 11.050 3.424 ( -3.470 3.133 -5.282) 7.053 4.892 ( 4.754 -1.985 4.070) 6.566 4.939 ( 7.770 -3.174 0.686) 8.422 8.801 ( -5.035 -2.180 2.376) 5.979 9.681 ( 5.969 2.230 14.036) 15.415 10.439 ( 3.130 -4.827 -18.367) 19.247 11.205 ( -23.005 4.250 -9.606) 25.290 11.617 ( 5.075 -2.244 3.322) 6.467 11.859 ( -10.153 2.772 6.066) 12.148 12.347 ( -9.736 4.707 -10.663) 15.187 13.004 ( -9.010 2.928 -21.116) 23.144 13.818 ( 1.443 -0.301 1.649) 2.212 14.196 ( -1.540 -0.089 -5.165) 5.391 15.181 ( 4.534 -6.362 14.626) 16.581 15.433 ( 17.450 4.012 6.787) 19.148 ======================= Grid point 420 (207/306) ======================= q-point: ( 0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 2.633 0.000 11.495) 11.793 1.251 ( 0.803 0.000 -3.918) 3.999 1.384 ( -2.296 -0.000 8.492) 8.797 1.500 ( -2.419 -0.000 -5.456) 5.968 1.700 ( 0.740 0.000 -8.662) 8.694 1.770 ( 5.533 0.000 1.259) 5.675 2.047 ( -1.833 -0.000 0.713) 1.967 2.141 ( 1.118 0.000 3.194) 3.383 2.200 ( -4.681 -0.000 4.824) 6.722 2.322 ( -7.382 -0.000 -1.759) 7.589 2.468 ( 0.302 0.000 1.351) 1.385 2.565 ( 5.874 0.000 -2.707) 6.468 2.790 ( -3.008 -0.000 -5.475) 6.247 3.018 ( 0.710 0.000 6.244) 6.285 3.032 ( -5.192 -0.000 -5.322) 7.435 3.137 ( 14.322 0.000 3.875) 14.837 4.960 ( -6.263 -0.000 -2.116) 6.610 4.996 ( -4.425 -0.000 -1.400) 4.642 8.940 ( -10.015 -0.000 25.105) 27.029 9.468 ( -1.253 -0.000 -19.222) 19.263 10.316 ( -8.691 -0.000 -9.002) 12.513 10.928 ( 17.934 0.000 11.746) 21.438 11.644 ( -6.997 -0.000 2.112) 7.309 12.101 ( 11.418 0.000 4.866) 12.412 12.340 ( 14.412 0.000 5.304) 15.357 12.418 ( 7.315 0.000 -9.999) 12.389 13.901 ( -5.037 -0.000 -3.839) 6.333 13.973 ( 0.985 0.000 3.494) 3.631 15.392 ( -7.233 -0.000 2.022) 7.510 15.783 ( 3.561 0.000 -8.218) 8.956 ======================= Grid point 421 (208/306) ======================= q-point: ( 0.20 0.10 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.726 2.507 -2.692) 3.750 1.272 ( -0.567 -3.838 2.920) 4.856 1.395 ( -1.674 2.246 -1.462) 3.159 1.460 ( 2.201 -1.955 0.807) 3.052 1.669 ( 4.022 -0.488 -3.905) 5.627 1.841 ( 2.381 0.375 2.696) 3.617 2.016 ( -2.971 0.309 -2.270) 3.752 2.152 ( -0.309 3.580 4.159) 5.496 2.156 ( -5.514 0.406 -0.380) 5.542 2.275 ( -3.048 -2.987 1.553) 4.542 2.458 ( -1.474 0.514 -0.808) 1.758 2.608 ( 4.648 0.226 -2.200) 5.147 2.713 ( -0.299 0.595 -4.378) 4.428 2.922 ( -5.976 -1.037 -3.221) 6.868 3.128 ( 1.524 -2.815 8.520) 9.101 3.346 ( 14.482 0.185 3.382) 14.873 4.796 ( -9.707 6.390 -2.559) 11.900 4.922 ( -6.884 -2.814 -4.228) 8.555 9.086 ( -8.668 2.818 25.717) 27.285 9.300 ( -0.238 -2.707 -11.684) 11.996 10.127 ( -5.496 1.925 -10.337) 11.864 11.254 ( 15.330 -1.758 10.540) 18.687 11.607 ( -3.205 -1.445 1.253) 3.733 12.241 ( 10.936 3.417 -0.079) 11.457 12.466 ( 11.210 -0.334 2.214) 11.431 12.671 ( 17.874 -9.855 5.333) 21.095 13.823 ( -2.654 0.667 -1.371) 3.060 14.016 ( -0.335 -0.697 3.712) 3.791 15.278 ( -9.813 1.896 -2.313) 10.258 15.690 ( -1.100 1.144 -11.700) 11.807 ======================= Grid point 422 (209/306) ======================= q-point: ( 0.30 0.10 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 1.141 1.543 -5.879) 6.185 1.261 ( -1.427 -1.993 -4.676) 5.280 1.350 ( -2.167 3.538 2.169) 4.682 1.556 ( 3.734 -2.075 0.869) 4.359 1.688 ( 2.040 1.075 -1.789) 2.918 1.822 ( -2.064 0.802 -1.538) 2.696 1.975 ( 0.271 -0.808 -0.098) 0.858 2.121 ( -2.797 -0.784 1.890) 3.465 2.167 ( -0.127 1.311 5.312) 5.473 2.287 ( -0.563 -1.536 -1.338) 2.113 2.410 ( -2.770 1.014 -1.784) 3.447 2.607 ( 1.505 2.808 -1.006) 3.341 2.696 ( 3.422 -0.436 -3.505) 4.918 2.857 ( -5.888 -3.463 -0.679) 6.864 3.272 ( 2.090 -2.770 8.785) 9.445 3.532 ( 13.033 0.400 2.264) 13.234 4.556 ( -11.752 7.602 -3.361) 14.395 4.827 ( -7.101 -3.191 -4.691) 9.089 9.074 ( 0.617 4.657 -4.026) 6.187 9.406 ( -5.257 -4.731 23.502) 24.543 9.938 ( -5.576 1.658 -9.359) 11.019 11.468 ( 5.296 0.293 2.675) 5.941 11.661 ( 5.553 -2.317 4.337) 7.417 12.317 ( 8.617 0.194 -1.415) 8.735 12.638 ( 8.331 -0.023 5.468) 9.965 13.079 ( 19.416 -10.098 8.359) 23.427 13.813 ( 2.686 0.644 1.760) 3.275 14.056 ( -1.112 -1.512 3.288) 3.786 15.082 ( -11.241 2.969 -6.366) 13.255 15.505 ( -4.596 2.362 -13.986) 14.910 ======================= Grid point 423 (210/306) ======================= q-point: (-0.60 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.335 2.735 -6.272) 6.850 1.251 ( 2.644 -2.366 -3.896) 5.270 1.306 ( -3.764 3.015 4.600) 6.665 1.455 ( -8.434 4.745 -6.334) 11.566 1.707 ( 4.052 2.813 1.910) 5.289 1.869 ( 4.814 -4.765 -0.643) 6.804 1.995 ( 0.200 -0.434 0.990) 1.099 2.126 ( -2.562 -1.411 2.433) 3.804 2.217 ( 0.546 -0.794 3.239) 3.380 2.270 ( 0.064 -0.453 -3.204) 3.237 2.343 ( -3.827 1.437 -0.156) 4.090 2.571 ( 0.045 3.286 -0.606) 3.342 2.713 ( 3.774 -0.706 -2.886) 4.803 2.856 ( -2.226 -3.245 1.674) 4.276 3.401 ( 2.232 -1.353 6.412) 6.923 3.673 ( 8.819 0.716 0.569) 8.866 4.311 ( -9.918 5.376 -2.875) 11.642 4.749 ( -6.046 -3.707 -3.236) 7.795 9.002 ( 4.035 4.138 -5.120) 7.721 9.567 ( -4.233 4.177 9.169) 10.929 9.866 ( -7.386 -8.777 10.692) 15.682 11.471 ( -0.100 1.043 -2.989) 3.167 11.803 ( 7.870 1.061 3.217) 8.568 12.418 ( 4.322 -5.881 -0.522) 7.317 12.730 ( 2.362 5.068 5.847) 8.090 13.499 ( 17.845 -8.422 9.894) 22.074 13.909 ( 7.947 -0.606 4.319) 9.065 14.084 ( -1.586 -1.296 1.569) 2.580 14.828 ( -10.995 3.632 -10.769) 15.814 15.272 ( -5.803 2.861 -12.745) 14.293 ======================= Grid point 424 (211/306) ======================= q-point: (-0.50 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -2.338 4.574 -2.652) 5.781 1.238 ( -3.910 8.382 -1.954) 9.453 1.272 ( -5.387 -0.612 3.396) 6.398 1.322 ( 3.744 -2.504 -0.651) 4.551 1.721 ( 2.531 3.420 0.660) 4.306 1.956 ( 2.655 -2.189 -1.333) 3.690 2.007 ( 0.194 0.013 0.624) 0.654 2.131 ( -4.010 -0.881 1.911) 4.529 2.223 ( -1.000 -0.170 -0.458) 1.113 2.248 ( 0.021 -0.741 -2.355) 2.469 2.331 ( -0.066 -1.378 2.630) 2.970 2.528 ( -1.236 1.542 -0.777) 2.123 2.739 ( 4.321 -0.405 -2.919) 5.230 2.898 ( 1.365 -0.068 3.183) 3.464 3.465 ( 0.133 0.667 1.088) 1.283 3.698 ( -1.417 1.947 -0.703) 2.509 4.214 ( 1.524 -1.003 0.337) 1.855 4.708 ( -4.948 -3.852 -1.140) 6.373 8.958 ( 4.523 4.300 -4.982) 7.985 9.478 ( -3.079 5.114 0.918) 6.040 10.095 ( -7.720 -12.211 19.897) 24.588 11.414 ( -1.986 0.115 -3.625) 4.135 11.859 ( 5.775 4.012 -1.947) 7.296 12.516 ( -0.431 -4.904 0.367) 4.936 12.708 ( -2.431 5.621 4.499) 7.599 13.867 ( 13.720 -5.835 8.929) 17.378 14.019 ( -2.027 -0.431 -0.432) 2.117 14.110 ( 7.098 0.416 3.884) 8.102 14.525 ( -10.401 4.471 -15.115) 18.885 15.104 ( -0.878 1.428 -5.280) 5.540 ======================= Grid point 425 (212/306) ======================= q-point: (-0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.373 5.574 5.376) 7.753 1.089 ( -1.579 8.175 -0.906) 8.375 1.281 ( -5.189 0.324 8.782) 10.206 1.398 ( 3.874 -3.234 -0.796) 5.109 1.711 ( 1.959 2.880 0.067) 3.484 1.935 ( -2.820 2.329 -0.946) 3.777 2.016 ( 1.225 0.043 -0.714) 1.418 2.091 ( -3.760 0.441 1.430) 4.047 2.234 ( -0.030 -1.811 -2.274) 2.907 2.254 ( 1.437 -1.655 0.650) 2.286 2.386 ( 1.160 -2.825 1.599) 3.447 2.493 ( -1.591 0.018 -0.974) 1.865 2.757 ( 4.379 0.419 -4.005) 5.949 2.937 ( 2.642 3.845 3.869) 6.061 3.382 ( -8.635 0.239 -4.669) 9.820 3.658 ( -1.252 1.797 1.468) 2.637 4.343 ( 10.144 -5.381 1.782) 11.620 4.699 ( -4.057 -3.896 0.973) 5.709 8.887 ( 0.799 3.513 -6.234) 7.200 9.464 ( 1.938 3.150 7.709) 8.550 10.292 ( -8.193 -10.391 10.318) 16.780 11.372 ( -3.439 -3.052 -1.027) 4.711 11.813 ( 3.066 5.234 -6.675) 9.020 12.458 ( -6.872 10.070 2.960) 12.546 12.691 ( -4.165 -5.378 -1.235) 6.914 13.906 ( -8.469 1.960 -4.814) 9.937 13.996 ( -2.584 4.283 -12.858) 13.797 14.202 ( 5.049 1.368 -1.675) 5.493 14.374 ( 5.564 -2.984 10.482) 12.237 15.131 ( 7.831 -0.289 2.539) 8.238 ======================= Grid point 426 (213/306) ======================= q-point: (-0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 6.066 4.913 11.775) 14.128 0.987 ( -0.985 8.080 2.185) 8.428 1.303 ( -2.880 2.472 6.962) 7.929 1.458 ( -1.672 -3.522 3.069) 4.961 1.703 ( 1.010 1.857 -0.619) 2.203 1.873 ( -0.439 1.074 -1.070) 1.579 2.021 ( 0.777 -0.306 -0.951) 1.265 2.073 ( -1.375 0.643 1.803) 2.357 2.223 ( -2.153 -0.336 0.457) 2.227 2.294 ( 2.534 -1.665 -1.896) 3.576 2.439 ( 0.160 -2.135 -0.791) 2.282 2.485 ( 0.663 -1.956 0.437) 2.111 2.745 ( 3.590 2.228 -4.794) 6.390 2.948 ( 2.054 5.559 3.961) 7.129 3.227 ( -11.843 -3.324 -4.442) 13.078 3.625 ( -0.625 3.619 -1.034) 3.815 4.573 ( 12.519 -7.127 2.023) 14.547 4.728 ( -2.737 -4.695 2.999) 6.207 8.794 ( -2.805 0.909 -3.770) 4.787 9.582 ( 6.179 2.539 11.401) 13.214 10.342 ( -7.089 -7.305 -1.935) 10.362 11.382 ( -6.449 -6.775 1.225) 9.434 11.685 ( 1.417 7.145 -8.718) 11.360 12.238 ( -11.190 12.315 2.003) 16.760 12.646 ( -6.945 -1.742 -4.570) 8.495 13.566 ( -12.732 8.357 -19.741) 24.933 13.830 ( -0.938 2.505 -3.038) 4.048 14.228 ( 2.102 -0.767 -3.722) 4.343 14.678 ( 8.834 -5.224 18.007) 20.727 15.299 ( 12.513 -0.129 4.885) 13.433 ======================= Grid point 427 (214/306) ======================= q-point: (-0.20 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -1.692 7.129 6.392) 9.723 1.094 ( 7.373 3.669 12.973) 15.366 1.280 ( -1.612 5.031 3.213) 6.184 1.530 ( -2.455 -5.158 6.061) 8.329 1.670 ( -0.328 1.613 -1.808) 2.445 1.884 ( 1.990 -2.275 -1.809) 3.522 2.013 ( 0.150 -1.050 -3.955) 4.095 2.080 ( 0.172 2.092 3.538) 4.114 2.210 ( -2.988 0.649 4.231) 5.220 2.316 ( 2.395 -1.192 -1.963) 3.318 2.435 ( 0.015 -2.327 -3.296) 4.034 2.544 ( 2.663 -0.921 1.153) 3.044 2.708 ( 2.627 2.326 -2.761) 4.465 2.942 ( 1.043 4.537 3.094) 5.589 3.103 ( -10.334 -4.546 -3.788) 11.908 3.530 ( -2.025 5.386 -4.373) 7.228 4.803 ( -1.070 -6.535 3.662) 7.567 4.814 ( 10.835 -5.931 1.996) 12.513 8.742 ( -4.782 -1.721 1.766) 5.380 9.741 ( 6.849 1.760 7.931) 10.626 10.300 ( -3.043 -5.400 -6.554) 9.021 11.283 ( -16.609 -0.588 -7.873) 18.390 11.602 ( 6.384 3.920 0.794) 7.533 11.998 ( -10.362 8.619 1.675) 13.582 12.484 ( -7.683 5.500 -5.020) 10.699 13.137 ( -8.965 8.378 -19.753) 23.254 13.813 ( 2.027 0.183 0.458) 2.086 14.192 ( -1.097 -0.223 -5.368) 5.484 15.014 ( 5.518 -7.004 16.677) 18.911 15.495 ( 13.952 0.467 3.197) 14.321 ======================= Grid point 428 (215/306) ======================= q-point: (-0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -1.183 5.176 10.309) 11.596 1.230 ( 1.911 2.957 4.798) 5.951 1.261 ( -0.129 2.626 10.388) 10.716 1.598 ( -0.128 -0.119 0.279) 0.329 1.652 ( 2.839 -2.536 -2.816) 4.735 1.896 ( -3.173 -3.559 -4.195) 6.351 1.989 ( 1.758 -0.574 -1.260) 2.237 2.079 ( -1.575 1.575 2.434) 3.299 2.220 ( -2.252 2.340 5.817) 6.663 2.357 ( 3.160 -1.055 1.224) 3.549 2.436 ( 0.493 -3.309 -4.152) 5.332 2.555 ( 1.147 2.332 -0.902) 2.751 2.748 ( 6.500 -0.877 2.587) 7.051 2.926 ( -0.625 2.417 0.902) 2.655 3.014 ( -6.770 -2.973 -2.528) 7.814 3.374 ( -3.363 5.918 -6.747) 9.584 4.902 ( -1.319 -6.505 3.419) 7.466 4.989 ( 6.573 -3.486 0.491) 7.456 8.758 ( -6.435 -2.742 8.956) 11.364 9.799 ( 2.412 -0.389 -7.630) 8.012 10.333 ( 3.860 -4.138 3.204) 6.503 10.943 ( -15.397 7.284 -9.495) 19.500 11.689 ( 2.285 -1.176 5.162) 5.766 11.862 ( -2.211 4.147 2.060) 5.132 12.284 ( -3.602 8.697 -2.697) 9.792 12.783 ( -3.869 6.841 -18.264) 19.883 13.861 ( 3.014 -0.268 2.190) 3.736 14.109 ( -3.500 -0.150 -5.782) 6.761 15.273 ( 0.266 -6.100 12.191) 13.635 15.664 ( 12.919 0.224 -0.409) 12.927 ======================= Grid point 431 (216/306) ======================= q-point: ( 0.20 0.20 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.701 0.000 -6.453) 6.491 1.237 ( -1.529 -0.000 -3.863) 4.155 1.422 ( 8.718 0.000 -3.923) 9.560 1.488 ( -3.816 -0.000 5.561) 6.745 1.702 ( 5.007 0.000 0.290) 5.015 1.844 ( -4.987 -0.000 -2.344) 5.510 1.965 ( 0.042 0.000 -0.601) 0.602 2.112 ( -3.007 -0.000 1.618) 3.415 2.208 ( 1.592 0.000 -0.383) 1.638 2.247 ( -4.494 -0.000 6.048) 7.535 2.422 ( -2.062 -0.000 -2.499) 3.240 2.641 ( 3.711 0.000 -0.862) 3.810 2.690 ( 3.068 0.000 -3.772) 4.862 2.813 ( -6.307 -0.000 -2.516) 6.791 3.231 ( 1.566 0.000 10.823) 10.936 3.545 ( 13.969 0.000 2.246) 14.149 4.711 ( -9.427 -0.000 -2.513) 9.756 4.725 ( -11.402 -0.000 -6.306) 13.030 9.153 ( 2.256 0.000 -12.009) 12.219 9.317 ( -10.085 -0.000 34.710) 36.146 9.973 ( -2.535 -0.000 -14.004) 14.232 11.498 ( 10.516 0.000 8.128) 13.291 11.589 ( 0.223 0.000 1.164) 1.185 12.356 ( 6.227 0.000 -2.918) 6.877 12.631 ( 16.139 0.000 1.677) 16.226 12.937 ( 18.738 0.000 13.584) 23.144 13.826 ( 2.281 0.000 1.925) 2.985 14.035 ( -2.071 -0.000 3.990) 4.496 15.117 ( -11.179 -0.000 -7.116) 13.252 15.533 ( -4.574 -0.000 -14.062) 14.787 ======================= Grid point 432 (217/306) ======================= q-point: ( 0.30 0.20 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 1.178 0.879 -5.379) 5.576 1.203 ( 3.016 -1.291 -5.107) 6.070 1.400 ( -4.411 4.609 1.238) 6.498 1.502 ( 0.193 -1.344 -5.192) 5.367 1.762 ( 3.906 1.282 2.708) 4.923 1.782 ( 0.323 -1.808 -0.928) 2.058 1.985 ( 0.655 -0.318 1.286) 1.478 2.106 ( -2.170 -0.362 2.243) 3.142 2.205 ( 0.512 -0.140 -1.472) 1.564 2.262 ( -3.092 -0.270 4.155) 5.186 2.365 ( -2.359 0.453 -2.889) 3.757 2.659 ( 0.745 4.162 -0.523) 4.260 2.699 ( 3.598 -0.393 -2.336) 4.308 2.763 ( -1.410 -4.406 0.545) 4.658 3.361 ( 1.661 -1.255 9.100) 9.335 3.707 ( 12.020 1.244 0.966) 12.123 4.457 ( -12.558 6.544 -4.940) 14.998 4.634 ( -8.947 -5.738 -2.953) 11.032 9.082 ( 4.499 2.272 -6.743) 8.418 9.568 ( -9.961 -2.350 33.639) 35.161 9.792 ( -2.217 0.652 -13.955) 14.145 11.551 ( 2.375 5.807 0.063) 6.274 11.717 ( 4.293 -7.311 3.435) 9.148 12.364 ( 3.330 0.355 -3.746) 5.025 12.836 ( 13.022 3.161 5.751) 14.582 13.321 ( 17.148 -5.413 13.317) 22.377 13.914 ( 7.406 0.538 4.660) 8.767 14.052 ( -2.610 -1.069 3.709) 4.660 14.888 ( -11.028 1.379 -10.777) 15.482 15.316 ( -5.883 0.983 -14.890) 16.040 ======================= Grid point 433 (218/306) ======================= q-point: ( 0.40 0.20 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.389 2.948 -2.400) 3.822 1.233 ( 4.316 -2.168 -2.913) 5.641 1.290 ( -8.140 0.451 0.458) 8.166 1.430 ( 2.386 6.975 -2.526) 7.793 1.800 ( 3.029 2.688 0.341) 4.064 1.863 ( 4.267 -4.849 0.876) 6.519 2.002 ( -0.266 -0.309 0.979) 1.060 2.106 ( -2.700 -0.524 1.945) 3.368 2.192 ( -0.540 -1.975 -3.461) 4.021 2.264 ( -1.995 1.015 2.223) 3.155 2.315 ( -2.417 -0.256 0.200) 2.439 2.582 ( -3.987 2.918 -0.332) 4.952 2.724 ( 3.902 -0.856 -3.134) 5.077 2.864 ( 5.671 -2.419 3.702) 7.192 3.461 ( 1.317 -0.776 3.663) 3.970 3.785 ( 4.714 4.631 -0.759) 6.651 4.234 ( -7.129 2.517 -1.636) 7.735 4.589 ( -7.275 -5.970 -0.880) 9.452 9.061 ( 6.360 3.965 -4.338) 8.659 9.572 ( -3.720 2.758 -7.662) 8.952 9.871 ( -8.870 -6.803 27.543) 29.725 11.473 ( -1.183 4.932 -4.088) 6.515 11.859 ( 3.265 -5.168 0.996) 6.194 12.372 ( 1.667 -2.709 -2.973) 4.354 12.932 ( 4.632 9.487 6.634) 12.469 13.695 ( 13.122 -8.005 9.077) 17.852 14.028 ( 0.032 1.032 3.113) 3.280 14.105 ( 6.513 -0.933 6.325) 9.126 14.621 ( -9.018 3.392 -13.722) 16.767 15.116 ( -2.931 -0.034 -10.918) 11.305 ======================= Grid point 434 (219/306) ======================= q-point: (-0.50 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.899 5.096 4.757) 7.029 1.202 ( -2.627 0.615 -1.098) 2.913 1.311 ( 4.801 -1.254 -1.465) 5.173 1.373 ( 0.548 5.670 3.835) 6.867 1.791 ( 2.307 3.577 -0.790) 4.329 1.945 ( 1.941 -1.769 -1.650) 3.102 2.008 ( 0.001 -0.496 -0.102) 0.506 2.091 ( -3.243 -0.858 0.836) 3.458 2.180 ( -1.336 -1.994 -0.615) 2.478 2.244 ( -0.821 0.311 0.737) 1.146 2.325 ( -0.934 -2.168 1.508) 2.801 2.508 ( -4.240 1.299 0.284) 4.444 2.746 ( 3.994 -1.068 -4.006) 5.757 2.991 ( 6.191 0.340 4.353) 7.576 3.432 ( -4.077 3.130 -6.141) 8.008 3.723 ( -2.118 4.692 2.770) 5.846 4.244 ( 5.336 -3.473 1.574) 6.559 4.582 ( -6.201 -5.852 1.304) 8.625 9.008 ( 3.602 6.498 -7.252) 10.382 9.492 ( 1.255 -0.925 -0.947) 1.824 10.096 ( -10.603 -6.344 23.262) 26.340 11.350 ( -4.274 1.256 -5.463) 7.049 11.914 ( 3.638 1.839 -2.314) 4.688 12.404 ( -0.865 -5.970 -2.441) 6.507 12.864 ( -3.152 12.811 5.082) 14.138 13.919 ( -0.143 -4.641 -4.367) 6.375 13.992 ( -0.759 1.120 0.196) 1.367 14.302 ( 4.836 -2.995 9.351) 10.945 14.343 ( -0.465 8.098 -9.482) 12.478 15.082 ( 5.343 -3.425 -2.257) 6.736 ======================= Grid point 435 (220/306) ======================= q-point: (-0.40 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 3.642 5.037 10.724) 12.396 1.164 ( 5.044 5.284 -2.404) 7.690 1.335 ( -2.963 1.927 8.223) 8.950 1.404 ( 1.747 -1.161 0.930) 2.295 1.762 ( 2.075 3.363 -1.805) 4.344 1.911 ( -2.027 1.638 -2.593) 3.677 2.007 ( 0.693 -0.647 -2.413) 2.593 2.088 ( -0.808 0.064 2.587) 2.712 2.192 ( -1.417 -2.148 0.276) 2.588 2.260 ( 0.556 -1.129 1.014) 1.616 2.366 ( 0.206 -3.841 0.595) 3.892 2.459 ( -3.382 -0.096 0.446) 3.413 2.758 ( 4.055 -0.619 -5.166) 6.597 3.068 ( 1.216 0.887 2.845) 3.218 3.225 ( -7.771 6.213 -5.323) 11.284 3.703 ( 0.689 3.254 1.304) 3.573 4.413 ( 9.207 -6.684 1.923) 11.539 4.605 ( -5.011 -5.606 3.292) 8.208 8.872 ( -0.884 5.700 -6.814) 8.927 9.585 ( 6.672 -2.601 3.493) 7.967 10.214 ( -11.263 -3.805 13.842) 18.247 11.257 ( -6.252 -3.656 -3.542) 8.062 11.866 ( 4.900 7.693 -4.822) 10.317 12.394 ( -7.093 -1.245 -2.278) 7.553 12.706 ( -5.648 9.861 3.049) 11.765 13.735 ( -9.458 5.311 -14.868) 18.405 13.906 ( -2.276 3.239 -6.064) 7.242 14.221 ( 1.794 0.615 -3.833) 4.277 14.581 ( 8.264 -2.932 16.505) 18.690 15.237 ( 10.977 -4.783 2.102) 12.157 ======================= Grid point 436 (221/306) ======================= q-point: (-0.30 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.980 5.632 4.954) 7.564 1.214 ( 10.207 6.700 7.594) 14.378 1.376 ( -2.287 2.673 7.521) 8.303 1.429 ( -1.710 -2.935 3.192) 4.662 1.724 ( 1.545 3.015 -2.856) 4.431 1.857 ( -0.145 0.253 -2.459) 2.476 1.994 ( 0.995 -0.560 -3.466) 3.649 2.113 ( 0.538 0.713 2.700) 2.844 2.199 ( -2.020 -1.436 2.207) 3.319 2.283 ( 0.481 -1.533 -1.271) 2.049 2.397 ( -1.886 -1.243 0.148) 2.264 2.479 ( 2.330 -3.975 1.299) 4.788 2.746 ( 3.690 0.643 -6.350) 7.372 2.990 ( -12.866 -4.288 -4.868) 14.409 3.120 ( 3.085 9.705 5.709) 11.674 3.655 ( 0.251 5.189 -2.744) 5.875 4.609 ( 0.855 -9.206 2.994) 9.718 4.685 ( 4.825 -5.490 3.346) 8.039 8.754 ( -3.067 2.962 -1.081) 4.399 9.722 ( 7.437 -3.633 -2.666) 8.696 10.227 ( -8.932 -1.030 9.808) 13.305 11.195 ( -9.035 -5.010 -3.473) 10.899 11.787 ( 7.681 10.120 -3.219) 13.106 12.204 ( -12.772 7.561 -1.466) 14.914 12.593 ( -4.314 5.149 1.267) 6.835 13.361 ( -8.303 9.880 -18.046) 22.186 13.835 ( 1.333 1.770 -1.203) 2.522 14.188 ( -0.338 0.003 -5.067) 5.079 14.872 ( 4.643 -5.183 16.483) 17.892 15.449 ( 12.408 -4.283 1.168) 13.178 ======================= Grid point 437 (222/306) ======================= q-point: (-0.20 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.667 6.295 7.224) 9.605 1.304 ( 0.115 2.838 4.820) 5.595 1.344 ( -2.273 4.331 7.104) 8.625 1.539 ( 4.510 -2.713 5.301) 7.470 1.674 ( 1.914 3.058 -3.808) 5.245 1.833 ( -2.250 -1.519 -3.090) 4.113 1.980 ( 2.180 -0.233 -3.135) 3.826 2.113 ( -1.646 1.045 0.709) 2.075 2.238 ( -0.306 -0.553 3.271) 3.332 2.292 ( 0.179 -3.709 -1.219) 3.908 2.393 ( 0.291 -0.479 -0.203) 0.596 2.576 ( 4.034 -1.828 0.564) 4.464 2.724 ( 3.803 -0.569 -3.057) 4.912 2.875 ( -9.159 -5.177 -3.559) 11.106 3.096 ( 0.498 8.470 6.047) 10.419 3.533 ( -1.219 7.289 -5.798) 9.393 4.715 ( -5.130 -9.175 4.645) 11.492 4.873 ( 8.807 -6.086 0.565) 10.720 8.721 ( -4.292 0.248 6.906) 8.135 9.740 ( 3.785 -4.639 -16.398) 17.457 10.284 ( -4.635 -0.496 15.578) 16.261 11.054 ( -8.808 1.697 -7.179) 11.489 11.766 ( 6.383 7.877 2.038) 10.342 11.982 ( -6.655 6.186 -0.444) 9.097 12.485 ( -3.407 7.877 1.370) 8.691 12.994 ( -3.493 10.702 -16.375) 19.871 13.858 ( 3.500 0.163 1.411) 3.777 14.110 ( -2.777 0.380 -6.058) 6.675 15.121 ( 0.006 -6.470 13.766) 15.210 15.630 ( 11.436 -3.337 -2.098) 12.096 ======================= Grid point 438 (223/306) ======================= q-point: (-0.10 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.762 4.872 10.076) 11.217 1.274 ( -1.517 0.641 1.190) 2.032 1.375 ( -2.806 2.623 7.649) 8.559 1.618 ( 2.135 3.554 -3.401) 5.362 1.671 ( 5.937 -1.476 2.029) 6.446 1.762 ( -3.980 -1.695 -6.621) 7.909 2.002 ( 1.475 -1.137 1.646) 2.485 2.082 ( -2.655 0.723 0.834) 2.875 2.237 ( -2.526 -0.843 0.124) 2.665 2.347 ( 1.588 -3.574 -2.544) 4.665 2.415 ( 1.365 -0.322 2.004) 2.446 2.585 ( 1.871 1.900 -2.216) 3.467 2.806 ( -5.516 -4.698 -3.179) 7.912 2.848 ( 9.004 -3.515 3.160) 10.169 3.060 ( -1.586 6.562 5.946) 8.996 3.359 ( -1.321 8.443 -6.749) 10.890 4.797 ( -6.192 -9.105 3.046) 11.425 5.006 ( 4.122 -3.840 -1.368) 5.797 8.782 ( -5.717 -1.349 15.287) 16.377 9.626 ( 2.011 -3.864 -21.444) 21.882 10.369 ( -11.028 -2.314 10.886) 15.668 10.897 ( 5.431 7.458 -2.676) 9.606 11.733 ( -4.964 3.936 3.591) 7.283 11.954 ( 8.833 2.547 0.662) 9.217 12.377 ( -0.003 9.334 2.328) 9.620 12.732 ( 4.384 10.491 -11.616) 16.255 13.922 ( 3.191 -0.131 2.654) 4.152 14.002 ( -4.444 0.351 -5.845) 7.351 15.285 ( -4.291 -6.118 9.077) 11.757 15.741 ( 8.281 -2.510 -5.794) 10.413 ======================= Grid point 442 (224/306) ======================= q-point: ( 0.30 0.30 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.997 0.000 -1.617) 1.900 1.202 ( 5.894 0.000 -3.873) 7.053 1.303 ( -10.904 -0.000 -0.335) 10.910 1.530 ( 8.408 0.000 -5.299) 9.938 1.771 ( 0.802 0.000 2.060) 2.211 1.847 ( 3.374 0.000 2.312) 4.090 1.997 ( -0.237 -0.000 0.940) 0.970 2.104 ( -2.176 -0.000 2.580) 3.375 2.162 ( -1.197 -0.000 -4.308) 4.471 2.277 ( -2.871 -0.000 4.824) 5.614 2.311 ( -2.003 -0.000 -2.985) 3.595 2.631 ( -7.812 -0.000 0.660) 7.840 2.707 ( 4.670 0.000 -4.565) 6.530 2.826 ( 8.982 0.000 4.350) 9.980 3.449 ( 1.762 0.000 4.864) 5.174 3.849 ( 9.962 0.000 -0.494) 9.975 4.289 ( -14.756 -0.000 -3.608) 15.190 4.491 ( -6.324 -0.000 0.072) 6.324 9.113 ( 7.162 0.000 -3.306) 7.888 9.601 ( -3.032 -0.000 -15.090) 15.391 9.792 ( -10.361 -0.000 33.381) 34.952 11.594 ( -5.014 -0.000 -5.587) 7.508 11.717 ( 6.740 0.000 3.243) 7.479 12.361 ( 1.753 0.000 -2.566) 3.108 13.065 ( 9.974 0.000 5.337) 11.312 13.575 ( 10.582 0.000 10.384) 14.826 14.052 ( -2.649 -0.000 3.996) 4.794 14.081 ( 9.433 0.000 7.463) 12.028 14.663 ( -8.166 -0.000 -12.011) 14.524 15.114 ( -3.624 -0.000 -14.080) 14.539 ======================= Grid point 443 (225/306) ======================= q-point: ( 0.40 0.30 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 1.645 1.986 4.502) 5.189 1.207 ( -4.189 0.405 0.425) 4.230 1.258 ( 5.606 -1.851 -1.806) 6.173 1.536 ( 6.054 5.629 -3.103) 8.830 1.829 ( 2.430 -1.934 0.517) 3.148 1.895 ( 2.279 -0.056 1.806) 2.908 1.999 ( -0.809 -0.278 0.362) 0.929 2.085 ( -2.661 0.814 -0.916) 2.930 2.128 ( -2.002 -2.447 -0.013) 3.162 2.259 ( -1.706 0.659 -1.270) 2.227 2.291 ( -2.372 -0.809 2.423) 3.486 2.543 ( -7.402 1.225 1.622) 7.676 2.720 ( 4.421 -0.896 -4.640) 6.471 2.977 ( 7.171 -0.731 4.052) 8.269 3.477 ( 2.428 0.737 -4.147) 4.861 3.880 ( 1.397 7.141 -0.524) 7.295 4.156 ( -6.504 -4.246 2.797) 8.256 4.464 ( -4.045 -3.223 1.824) 5.484 9.156 ( 7.655 5.090 -3.428) 9.811 9.433 ( -0.859 -3.129 -12.632) 13.042 10.002 ( -12.636 -1.945 31.667) 34.151 11.410 ( -7.640 2.712 -9.117) 12.200 11.869 ( 6.625 -3.613 3.659) 8.387 12.351 ( 1.297 0.255 -2.642) 2.954 13.120 ( 0.221 7.584 2.337) 7.939 13.762 ( 3.685 -5.847 1.638) 7.103 14.049 ( -2.448 2.228 2.743) 4.299 14.234 ( 0.778 -2.261 3.820) 4.507 14.505 ( 3.128 4.554 -4.089) 6.873 15.001 ( 3.369 -2.632 -8.272) 9.312 ======================= Grid point 444 (226/306) ======================= q-point: (-0.50 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.966 3.025 7.910) 8.524 1.210 ( 4.781 0.598 3.005) 5.678 1.326 ( 3.475 -2.123 -0.844) 4.159 1.501 ( 3.335 7.157 0.977) 7.956 1.841 ( 2.087 2.813 -1.196) 3.701 1.927 ( 0.258 -0.325 -1.957) 2.000 1.995 ( -0.160 -0.430 -0.980) 1.082 2.062 ( -0.492 -1.816 1.324) 2.301 2.142 ( -2.618 -2.120 2.143) 3.993 2.238 ( -0.669 -0.790 0.294) 1.076 2.295 ( -1.725 -1.763 0.363) 2.493 2.471 ( -6.229 0.807 2.243) 6.670 2.735 ( 4.252 -1.103 -4.936) 6.608 3.034 ( -5.094 -1.900 -1.011) 5.530 3.418 ( 6.617 7.201 -6.042) 11.496 3.799 ( -1.199 5.879 2.901) 6.665 4.245 ( 0.422 -8.235 3.582) 8.990 4.495 ( -1.684 -3.328 3.188) 4.907 9.045 ( 1.360 8.852 -9.141) 12.797 9.466 ( 6.492 -7.261 -3.708) 10.422 10.156 ( -14.478 -1.514 26.074) 29.862 11.215 ( -7.205 -0.279 -8.303) 10.997 11.987 ( 5.893 1.879 2.191) 6.561 12.338 ( 0.095 -0.969 -2.310) 2.506 12.975 ( -6.174 10.989 -0.286) 12.608 13.765 ( -5.316 -2.800 -10.578) 12.166 13.983 ( -3.486 4.280 -0.607) 5.553 14.227 ( -1.471 -1.571 -3.240) 3.890 14.583 ( 8.891 3.634 11.032) 14.628 15.099 ( 10.310 -6.508 -1.110) 12.243 ======================= Grid point 445 (227/306) ======================= q-point: (-0.40 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.194 2.321 4.179) 4.784 1.343 ( 6.158 2.433 2.252) 6.993 1.362 ( 2.541 -1.167 5.870) 6.502 1.480 ( 0.959 6.094 4.819) 7.828 1.809 ( 2.500 4.092 -2.135) 5.249 1.882 ( -1.020 1.364 -2.842) 3.313 1.987 ( 1.169 -0.088 -2.202) 2.494 2.111 ( 1.151 -0.957 2.238) 2.693 2.154 ( -3.042 -2.190 2.172) 4.332 2.252 ( -0.710 -1.103 -0.197) 1.326 2.328 ( 1.185 -4.685 1.264) 4.995 2.426 ( -4.118 -0.123 2.058) 4.605 2.742 ( 4.272 -0.715 -5.837) 7.269 2.898 ( -13.526 -3.368 -6.391) 15.334 3.374 ( 6.561 11.375 2.193) 13.313 3.762 ( 1.537 4.005 -1.186) 4.451 4.387 ( -2.583 -9.917 4.680) 11.265 4.574 ( 3.925 -3.784 2.829) 6.142 8.876 ( -0.578 7.265 -5.097) 8.893 9.587 ( 6.971 -7.520 -7.931) 12.963 10.224 ( -14.359 0.163 21.107) 25.529 11.099 ( -5.189 -2.940 -4.453) 7.443 12.009 ( 7.407 7.927 -0.353) 10.855 12.298 ( -6.216 1.361 -1.042) 6.448 12.773 ( -5.156 9.936 0.254) 11.197 13.534 ( -7.566 3.776 -16.265) 18.332 13.897 ( -1.314 3.848 -0.063) 4.067 14.195 ( 0.081 0.324 -4.004) 4.018 14.785 ( 4.544 -1.777 14.120) 14.939 15.312 ( 12.082 -7.094 -0.153) 14.011 ======================= Grid point 446 (228/306) ======================= q-point: (-0.30 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.262 3.623 4.455) 5.748 1.326 ( -4.806 -0.891 0.486) 4.912 1.458 ( -2.973 4.822 7.681) 9.544 1.527 ( 9.194 1.996 6.230) 11.284 1.767 ( 3.683 4.741 -3.059) 6.738 1.829 ( -1.764 1.027 -2.490) 3.219 1.982 ( 2.733 0.520 -2.490) 3.733 2.119 ( -2.253 -0.511 -0.566) 2.378 2.199 ( 1.293 -2.458 3.228) 4.258 2.237 ( -2.171 -0.942 -1.356) 2.727 2.389 ( -1.587 -0.039 3.026) 3.417 2.477 ( 5.060 -5.818 1.782) 7.914 2.712 ( -2.826 -1.669 -7.059) 7.785 2.758 ( -4.510 -3.727 -4.070) 7.127 3.329 ( 1.216 11.036 5.341) 12.321 3.693 ( 1.607 6.143 -5.051) 8.114 4.495 ( -6.926 -9.562 6.089) 13.284 4.728 ( 8.374 -6.031 0.576) 10.336 8.781 ( -1.197 4.845 2.680) 5.665 9.604 ( 3.613 -6.830 -17.806) 19.410 10.278 ( -12.198 -0.434 20.935) 24.234 11.049 ( -2.106 -1.194 -3.101) 3.934 12.000 ( 10.262 10.590 -0.264) 14.749 12.128 ( -11.226 5.988 -0.843) 12.751 12.655 ( -2.168 7.455 3.317) 8.443 13.227 ( -4.021 8.019 -15.942) 18.293 13.875 ( 1.461 1.582 1.557) 2.658 14.133 ( -0.896 1.564 -5.330) 5.627 14.987 ( -0.563 -4.867 13.153) 14.036 15.515 ( 11.202 -6.348 -2.822) 13.182 ======================= Grid point 447 (229/306) ======================= q-point: (-0.20 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -1.214 3.826 6.793) 7.891 1.268 ( -6.525 -1.051 0.038) 6.609 1.450 ( -2.415 3.828 6.993) 8.330 1.649 ( 4.309 -0.275 2.929) 5.218 1.729 ( 5.649 5.651 -2.429) 8.351 1.748 ( -4.346 0.611 -4.475) 6.268 1.996 ( 3.173 0.609 -0.218) 3.238 2.084 ( -2.624 -0.847 -1.768) 3.275 2.206 ( -2.752 -0.686 -0.496) 2.879 2.278 ( 3.127 -2.509 0.480) 4.038 2.406 ( -0.416 -0.517 2.272) 2.367 2.580 ( -0.939 -2.957 -2.165) 3.783 2.692 ( -0.114 -5.005 -0.918) 5.090 2.760 ( 6.517 -3.052 -1.242) 7.303 3.253 ( -3.669 9.203 5.646) 11.403 3.563 ( 1.495 8.898 -6.061) 10.870 4.575 ( -8.141 -9.547 5.217) 13.588 4.886 ( 6.514 -6.135 -1.696) 9.108 8.792 ( -1.984 2.345 11.233) 11.645 9.507 ( 2.922 -5.972 -22.025) 23.007 10.331 ( -15.809 -1.630 16.771) 23.105 11.022 ( 5.825 3.473 -1.850) 7.030 11.889 ( -7.292 8.644 0.166) 11.310 12.060 ( 10.255 6.509 1.197) 12.205 12.580 ( -2.809 7.833 4.095) 9.274 12.979 ( 4.258 9.974 -11.004) 15.450 13.910 ( 1.374 -0.501 1.977) 2.460 14.039 ( -0.911 2.793 -5.354) 6.107 15.137 ( -5.013 -6.337 10.103) 12.937 15.651 ( 8.385 -5.169 -6.592) 11.852 ======================= Grid point 448 (230/306) ======================= q-point: (-0.10 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -3.772 2.274 2.941) 5.296 1.257 ( -2.726 -2.817 5.252) 6.554 1.435 ( -2.333 4.047 3.650) 5.928 1.597 ( -4.226 1.291 -6.777) 8.090 1.700 ( 4.663 1.473 -4.478) 6.631 1.763 ( 3.797 0.934 3.297) 5.114 2.034 ( 0.985 0.009 2.647) 2.824 2.047 ( -1.973 -0.761 -1.249) 2.456 2.180 ( -2.867 -0.513 0.192) 2.918 2.325 ( 2.678 -1.259 -2.561) 3.913 2.431 ( -0.584 -1.073 1.570) 1.990 2.567 ( -1.889 -3.042 -1.835) 4.024 2.693 ( 1.078 -1.371 -3.708) 4.098 2.961 ( 11.258 -4.932 4.670) 13.148 3.140 ( -7.488 6.710 3.006) 10.494 3.430 ( 3.607 10.181 -2.636) 11.119 4.623 ( -9.375 -9.320 2.483) 13.450 4.970 ( 2.021 -3.950 -3.575) 5.698 8.891 ( -3.711 0.133 16.913) 17.315 9.401 ( 4.375 -4.386 -18.756) 19.752 10.252 ( -18.227 0.021 6.525) 19.360 11.108 ( 13.730 3.588 4.580) 14.912 11.734 ( -5.965 4.498 -0.491) 7.487 12.140 ( 12.174 5.945 2.061) 13.704 12.497 ( -1.236 6.607 3.039) 7.377 12.897 ( 13.356 11.074 -2.518) 17.532 13.889 ( -4.057 0.227 -3.989) 5.694 14.005 ( 3.204 1.780 1.753) 4.063 15.212 ( -8.248 -6.327 5.456) 11.740 15.693 ( 4.006 -4.027 -10.088) 11.577 ======================= Grid point 453 (231/306) ======================= q-point: ( 0.40 0.40 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -0.857 -0.000 4.565) 4.645 1.222 ( 6.145 0.000 6.200) 8.729 1.295 ( 3.718 0.000 -0.284) 3.729 1.606 ( 6.188 0.000 -4.202) 7.480 1.862 ( 2.947 0.000 2.097) 3.617 1.923 ( 0.214 0.000 0.474) 0.520 1.989 ( -0.563 -0.000 -0.021) 0.563 2.044 ( -0.392 -0.000 -2.786) 2.813 2.104 ( -3.453 -0.000 3.775) 5.116 2.229 ( -1.439 -0.000 -0.958) 1.729 2.278 ( -2.549 -0.000 1.097) 2.774 2.483 ( -7.703 -0.000 3.117) 8.310 2.720 ( 4.789 0.000 -5.128) 7.017 3.009 ( -5.681 -0.000 -1.480) 5.871 3.500 ( 12.285 0.000 -6.908) 14.094 3.941 ( 1.135 0.000 -3.855) 4.018 4.079 ( -9.037 -0.000 11.321) 14.486 4.457 ( 0.748 0.000 2.867) 2.963 9.239 ( -1.007 -0.000 -14.323) 14.358 9.291 ( 9.598 0.000 -1.760) 9.758 10.138 ( -15.685 -0.000 30.042) 33.890 11.218 ( -8.283 -0.000 -10.446) 13.331 11.991 ( 6.958 0.000 6.490) 9.515 12.342 ( 1.758 0.000 -3.261) 3.705 13.126 ( -4.852 -0.000 -3.620) 6.054 13.702 ( -4.616 -0.000 -6.046) 7.607 14.065 ( -3.100 -0.000 2.621) 4.060 14.174 ( -2.737 -0.000 -2.407) 3.644 14.663 ( 8.303 0.000 8.119) 11.613 14.997 ( 10.441 0.000 -4.195) 11.252 ======================= Grid point 454 (232/306) ======================= q-point: ( 0.50 0.40 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.643 0.685 2.945) 3.091 1.321 ( -0.597 -1.013 -0.087) 1.179 1.391 ( 7.269 0.934 9.537) 12.028 1.613 ( 4.525 3.797 -1.253) 6.039 1.896 ( 1.920 2.682 -0.027) 3.299 1.908 ( 0.418 0.946 -1.593) 1.900 1.990 ( 1.779 0.540 -0.426) 1.907 2.065 ( 2.603 -2.513 1.579) 3.948 2.109 ( -4.205 -1.687 3.487) 5.717 2.220 ( -0.572 -1.405 0.391) 1.567 2.256 ( -1.961 -0.903 -0.241) 2.172 2.434 ( -6.039 0.366 3.600) 7.040 2.726 ( 4.548 -0.478 -5.268) 6.976 2.842 ( -13.805 -1.335 -7.515) 15.774 3.593 ( 14.900 5.850 -3.398) 16.364 3.853 ( -2.317 4.053 -2.013) 5.084 4.167 ( -5.850 -7.818 9.925) 13.923 4.516 ( 3.310 -1.239 2.358) 4.249 9.061 ( 1.171 7.295 -9.388) 11.946 9.402 ( 6.550 -7.245 -7.491) 12.309 10.224 ( -18.096 -0.076 26.390) 31.999 11.060 ( -3.593 -0.625 -6.349) 7.322 12.114 ( 3.541 1.426 6.166) 7.252 12.329 ( 2.224 1.358 -2.756) 3.793 12.983 ( -3.856 6.321 -4.650) 8.743 13.535 ( -9.325 -1.946 -12.385) 15.624 14.011 ( -3.090 4.999 1.822) 6.153 14.169 ( -0.432 -2.695 -1.109) 2.946 14.805 ( 4.678 2.593 9.364) 10.784 15.151 ( 13.095 -5.504 -1.436) 14.277 ======================= Grid point 455 (233/306) ======================= q-point: (-0.40 -0.60 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.482 1.482 3.715) 4.029 1.295 ( -5.002 -1.203 -0.579) 5.177 1.520 ( 0.965 1.070 7.260) 7.402 1.617 ( 4.350 4.140 1.834) 6.278 1.856 ( -1.153 1.968 -1.887) 2.960 1.893 ( 3.862 4.583 -1.138) 6.101 2.010 ( 4.353 2.031 -0.245) 4.810 2.098 ( -4.554 -1.193 0.860) 4.785 2.145 ( 1.861 -2.057 2.976) 4.068 2.225 ( -1.435 -0.488 0.220) 1.532 2.323 ( 5.454 -5.868 2.488) 8.389 2.404 ( -4.108 0.309 2.956) 5.070 2.628 ( -13.007 -3.724 -7.359) 15.401 2.729 ( 4.655 -0.346 -5.887) 7.514 3.583 ( 1.720 10.385 0.993) 10.573 3.799 ( 4.649 2.526 -5.141) 7.377 4.286 ( -6.595 -8.072 9.092) 13.831 4.612 ( 5.797 -3.674 0.585) 6.888 8.930 ( 1.902 7.385 -2.774) 8.115 9.432 ( 2.972 -7.692 -15.236) 17.325 10.261 ( -18.646 -0.869 23.646) 30.126 11.026 ( 2.308 -0.604 -1.488) 2.811 12.160 ( -0.134 2.755 3.877) 4.758 12.280 ( 1.165 6.710 -2.132) 7.136 12.845 ( -0.329 8.627 0.139) 8.635 13.312 ( -6.933 -0.840 -14.833) 16.395 13.947 ( -1.601 4.502 2.624) 5.452 14.164 ( 0.327 0.418 -2.800) 2.850 14.916 ( -0.243 -0.837 9.737) 9.776 15.354 ( 11.947 -6.939 -3.025) 14.143 ======================= Grid point 456 (234/306) ======================= q-point: (-0.30 -0.60 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -5.784 -0.789 -0.237) 5.842 1.259 ( -2.473 1.544 4.621) 5.464 1.534 ( -4.576 2.467 6.163) 8.063 1.652 ( 3.327 0.819 0.164) 3.431 1.780 ( -4.092 2.378 -3.065) 5.639 1.869 ( 4.632 5.516 -1.401) 7.337 2.030 ( 2.011 1.573 0.529) 2.607 2.062 ( -1.096 0.226 -0.952) 1.469 2.213 ( -0.932 0.467 0.791) 1.309 2.222 ( 2.670 -2.057 1.450) 3.669 2.391 ( -2.648 -0.789 1.971) 3.394 2.469 ( -3.297 -5.489 -1.864) 6.669 2.562 ( 5.823 -6.005 2.198) 8.649 2.728 ( 4.729 -0.357 -5.500) 7.262 3.454 ( -6.978 7.621 1.505) 10.442 3.756 ( 6.175 7.387 -5.368) 11.023 4.375 ( -8.028 -7.379 7.877) 13.452 4.739 ( 6.659 -6.087 -1.762) 9.193 8.886 ( 1.411 5.462 4.919) 7.484 9.362 ( 2.181 -6.442 -19.403) 20.560 10.284 ( -19.446 -2.226 20.935) 28.659 11.074 ( 7.518 1.417 -0.068) 7.651 12.067 ( -9.517 5.651 -0.672) 11.088 12.249 ( 11.153 9.155 1.753) 14.535 12.749 ( -4.953 7.164 2.627) 9.097 13.141 ( 3.612 3.029 -10.719) 11.709 13.925 ( -0.841 2.146 2.822) 3.643 14.116 ( 1.493 3.366 -3.922) 5.379 15.008 ( -5.213 -4.393 8.605) 10.978 15.510 ( 9.172 -6.652 -6.657) 13.141 ======================= Grid point 457 (235/306) ======================= q-point: (-0.20 -0.60 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -7.525 -2.282 0.414) 7.875 1.254 ( -2.613 2.385 5.253) 6.333 1.509 ( -4.741 1.783 4.695) 6.906 1.622 ( -5.684 1.249 -5.122) 7.752 1.690 ( 0.912 -0.366 -3.188) 3.336 1.854 ( 5.446 5.054 -0.918) 7.486 2.020 ( -1.776 -1.305 -1.483) 2.657 2.072 ( 3.095 3.040 3.213) 5.398 2.198 ( -0.704 1.687 1.150) 2.160 2.285 ( 3.186 -2.042 -1.354) 4.019 2.395 ( -2.821 -2.820 0.531) 4.024 2.461 ( -3.140 -4.391 -0.227) 5.404 2.689 ( 4.946 0.253 -3.709) 6.188 2.836 ( 11.846 -5.482 4.034) 13.662 3.285 ( -10.528 5.252 0.387) 11.772 3.672 ( 5.238 10.323 -3.203) 12.010 4.426 ( -9.129 -7.194 5.266) 12.760 4.852 ( 4.599 -5.986 -3.715) 8.413 8.919 ( -1.009 2.112 8.672) 8.983 9.287 ( 5.403 -4.915 -15.497) 17.132 10.255 ( -20.151 -0.073 15.915) 25.678 11.169 ( 11.428 1.824 1.337) 11.650 11.871 ( -7.636 6.999 -2.239) 10.597 12.319 ( 12.720 8.588 3.784) 15.807 12.618 ( -7.604 3.679 0.823) 8.487 13.119 ( 12.676 7.616 -1.608) 14.875 13.906 ( -2.437 1.469 -0.181) 2.851 14.070 ( 3.748 3.789 -1.517) 5.541 15.062 ( -8.843 -6.344 5.854) 12.358 15.579 ( 4.911 -5.700 -10.578) 12.981 ======================= Grid point 458 (236/306) ======================= q-point: (-0.10 -0.60 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -5.281 -1.926 -0.669) 5.661 1.259 ( -4.372 -0.640 5.905) 7.375 1.441 ( -4.621 2.661 -4.181) 6.776 1.521 ( -2.304 -1.003 -0.954) 2.688 1.677 ( -0.295 -1.820 -4.016) 4.419 1.858 ( 5.340 4.166 -0.421) 6.786 2.001 ( -0.971 -0.276 -0.667) 1.210 2.113 ( 1.526 2.089 5.407) 5.994 2.179 ( -0.992 2.084 1.375) 2.686 2.312 ( 2.803 -1.114 -3.802) 4.853 2.393 ( -3.957 -3.177 -0.095) 5.075 2.490 ( -0.496 -3.365 0.577) 3.450 2.697 ( 4.491 0.638 -3.555) 5.763 3.067 ( 2.214 -1.741 2.382) 3.689 3.123 ( -1.542 1.112 2.355) 3.027 3.595 ( 5.339 9.910 -0.228) 11.259 4.431 ( -10.174 -6.980 1.776) 12.465 4.899 ( 0.955 -3.651 -4.690) 6.020 8.956 ( -2.011 -2.078 1.861) 3.439 9.318 ( 6.433 -2.670 -1.116) 7.054 10.139 ( -17.420 4.337 10.648) 20.872 11.334 ( 13.248 -0.489 4.306) 13.939 11.696 ( -5.310 4.516 -3.739) 7.911 12.388 ( 9.668 8.062 1.264) 12.652 12.560 ( -1.520 1.547 6.336) 6.697 13.200 ( 16.246 9.441 2.645) 18.975 13.840 ( -1.122 2.572 -1.933) 3.407 14.080 ( 2.908 2.156 1.179) 3.807 15.060 ( -10.800 -6.528 1.497) 12.708 15.545 ( -0.183 -4.788 -13.473) 14.299 ======================= Grid point 464 (237/306) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.871 0.000 3.518) 3.624 1.280 ( -4.852 -0.000 -0.338) 4.863 1.531 ( 1.598 0.000 5.771) 5.989 1.670 ( 3.040 0.000 0.007) 3.040 1.881 ( -1.136 -0.000 -1.395) 1.799 1.955 ( 3.113 0.000 -1.057) 3.288 2.063 ( -1.252 -0.000 3.036) 3.284 2.089 ( 1.610 0.000 4.144) 4.446 2.096 ( 4.835 0.000 0.745) 4.892 2.209 ( -0.480 -0.000 0.934) 1.050 2.244 ( 2.195 0.000 0.980) 2.404 2.412 ( -4.568 -0.000 3.891) 6.001 2.579 ( -14.286 -0.000 -8.587) 16.668 2.725 ( 5.124 0.000 -5.997) 7.888 3.769 ( -8.101 -0.000 -4.752) 9.392 3.782 ( 15.957 0.000 -4.210) 16.503 4.174 ( -5.886 -0.000 12.972) 14.245 4.568 ( 4.136 0.000 0.575) 4.176 9.053 ( 4.228 0.000 -6.712) 7.932 9.307 ( 1.675 0.000 -12.274) 12.388 10.249 ( -21.182 -0.000 24.688) 32.530 11.020 ( 3.712 0.000 -1.256) 3.919 12.184 ( -3.676 -0.000 5.627) 6.721 12.365 ( 5.770 0.000 -1.633) 5.997 12.980 ( 4.689 0.000 -3.086) 5.614 13.265 ( -12.692 -0.000 -12.852) 18.063 14.026 ( -3.549 -0.000 2.285) 4.221 14.151 ( 0.978 0.000 0.145) 0.989 14.925 ( -0.135 -0.000 6.503) 6.504 15.253 ( 13.062 0.000 -2.880) 13.376 ======================= Grid point 465 (238/306) ======================= q-point: (-0.40 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -7.387 -0.469 -0.156) 7.403 1.290 ( -0.813 0.782 4.630) 4.765 1.551 ( -3.306 -0.162 1.394) 3.591 1.687 ( 0.058 1.276 1.030) 1.641 1.839 ( -2.601 2.032 -1.489) 3.621 1.961 ( 2.409 1.956 -1.559) 3.473 2.027 ( -5.207 -0.237 0.972) 5.303 2.132 ( 3.117 3.522 3.092) 5.628 2.176 ( 3.035 -1.272 1.543) 3.634 2.221 ( -0.406 -0.488 1.522) 1.649 2.362 ( -4.327 -1.540 -4.638) 6.527 2.376 ( 2.510 -1.915 0.794) 3.256 2.442 ( 3.948 -3.308 4.641) 6.933 2.725 ( 4.990 -0.020 -5.901) 7.728 3.584 ( -11.384 3.126 -3.734) 12.381 3.884 ( 11.304 3.190 -4.889) 12.722 4.251 ( -5.717 -2.942 11.141) 12.863 4.628 ( 4.695 -2.877 -1.737) 5.774 9.026 ( 4.570 6.065 -2.063) 7.869 9.213 ( 0.567 -6.082 -14.857) 16.063 10.242 ( -21.837 -1.092 23.753) 32.283 11.095 ( 8.619 0.458 0.779) 8.666 12.147 ( -7.627 1.582 2.334) 8.131 12.419 ( 8.794 4.286 0.978) 9.831 12.921 ( -8.410 7.241 -5.647) 12.452 13.112 ( 5.308 -4.513 -4.769) 8.443 13.994 ( -2.707 2.700 2.734) 4.701 14.167 ( 1.934 0.761 -0.605) 2.165 14.952 ( -4.437 -0.566 4.656) 6.457 15.373 ( 10.136 -4.104 -6.139) 12.541 ======================= Grid point 466 (239/306) ======================= q-point: (-0.30 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -8.512 -0.996 0.960) 8.624 1.303 ( -3.263 1.469 5.182) 6.297 1.507 ( -5.709 -1.080 -0.502) 5.832 1.650 ( -3.894 1.084 -3.282) 5.206 1.741 ( -4.000 3.930 -0.242) 5.613 1.947 ( 2.131 2.186 -1.090) 3.242 1.990 ( -1.785 -0.596 -0.538) 1.957 2.152 ( 1.500 2.915 3.587) 4.860 2.234 ( 1.654 0.632 0.742) 1.920 2.241 ( 2.586 -1.871 -0.384) 3.215 2.296 ( -2.361 -3.102 -2.839) 4.823 2.408 ( -0.781 -1.124 2.342) 2.713 2.676 ( 11.441 -2.140 3.210) 12.074 2.738 ( 7.685 -1.947 -2.293) 8.253 3.371 ( -13.884 2.170 -2.803) 14.329 3.881 ( 7.045 6.988 -4.484) 10.889 4.311 ( -6.547 -2.483 8.317) 10.872 4.709 ( 4.939 -5.775 -3.774) 8.485 8.973 ( -1.103 2.150 -2.861) 3.745 9.190 ( 6.324 -3.269 -8.312) 10.944 10.247 ( -19.633 -0.433 23.640) 30.733 11.200 ( 10.247 0.937 -0.675) 10.311 12.025 ( -7.789 5.422 -0.388) 9.499 12.499 ( 11.956 6.267 2.183) 13.674 12.673 ( -13.043 1.338 -3.930) 13.688 13.233 ( 12.839 2.303 1.750) 13.161 13.960 ( -2.321 2.847 2.386) 4.380 14.161 ( 3.565 3.438 -1.637) 5.216 14.940 ( -8.594 -3.671 3.501) 9.979 15.442 ( 5.915 -5.550 -10.497) 13.266 ======================= Grid point 467 (240/306) ======================= q-point: (-0.20 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -8.487 -2.055 2.201) 9.006 1.284 ( -5.091 1.735 4.550) 7.045 1.442 ( -6.698 -2.815 -2.305) 7.623 1.513 ( -4.708 1.803 -6.801) 8.466 1.686 ( -1.583 2.240 0.837) 2.868 1.944 ( 3.194 2.299 -0.479) 3.964 1.982 ( -0.800 -0.991 -0.418) 1.341 2.173 ( 0.254 2.095 4.147) 4.653 2.234 ( -0.464 1.700 1.269) 2.172 2.287 ( 4.393 -0.447 -2.649) 5.150 2.293 ( -1.218 -3.735 -1.694) 4.278 2.444 ( 0.433 -1.131 2.196) 2.508 2.715 ( 4.942 0.773 -4.071) 6.449 2.974 ( 12.383 -4.269 5.531) 14.218 3.167 ( -13.210 0.965 -1.508) 13.330 3.816 ( 4.598 8.412 -3.313) 10.143 4.321 ( -7.416 -2.053 4.828) 9.084 4.787 ( 3.495 -5.832 -4.658) 8.242 8.913 ( -1.691 -1.645 -4.504) 5.085 9.254 ( 5.969 -2.525 -0.907) 6.545 10.256 ( -14.806 5.104 22.813) 27.672 11.308 ( 10.600 -1.264 -1.023) 10.724 11.844 ( -7.054 7.545 -2.821) 10.707 12.471 ( -5.361 -1.780 -5.938) 8.196 12.654 ( 7.855 6.890 10.708) 14.961 13.375 ( 14.402 5.504 3.768) 15.872 13.916 ( -1.278 3.593 0.844) 3.906 14.148 ( 3.895 3.704 -1.268) 5.522 14.909 ( -11.079 -6.147 1.655) 12.778 15.422 ( 0.694 -5.704 -14.367) 15.473 ======================= Grid point 468 (241/306) ======================= q-point: (-0.10 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -6.569 -2.710 0.799) 7.151 1.241 ( -7.037 -0.223 3.229) 7.746 1.368 ( -4.145 -1.416 -3.822) 5.813 1.408 ( -2.332 -1.603 -6.008) 6.641 1.655 ( -2.008 1.336 1.607) 2.899 1.955 ( 4.531 2.854 -0.716) 5.403 1.983 ( -1.157 -1.344 0.297) 1.798 2.185 ( -3.117 0.465 3.918) 5.028 2.220 ( 0.290 2.306 1.451) 2.740 2.296 ( 0.154 -0.560 0.015) 0.581 2.313 ( 2.688 -1.344 -4.206) 5.169 2.483 ( 1.073 -1.171 1.112) 1.939 2.724 ( 4.556 0.776 -3.431) 5.756 2.984 ( -10.341 0.340 -0.487) 10.358 3.229 ( 9.444 -3.390 5.565) 11.474 3.744 ( 3.752 7.194 -1.954) 8.346 4.287 ( -7.260 -1.693 1.545) 7.613 4.822 ( 0.805 -3.420 -4.330) 5.576 8.890 ( 0.690 -2.825 -4.033) 4.972 9.349 ( 1.408 -5.054 1.682) 5.510 10.226 ( -10.024 12.486 20.339) 25.886 11.478 ( 11.705 -5.074 1.611) 12.859 11.649 ( -5.761 5.919 -4.423) 9.369 12.416 ( -4.133 -4.571 -1.172) 6.273 12.760 ( 6.845 9.168 9.454) 14.842 13.514 ( 14.612 6.592 4.577) 16.671 13.888 ( 3.173 3.688 1.470) 5.083 14.136 ( 1.576 2.346 -0.935) 2.977 14.850 ( -11.231 -6.266 -2.399) 13.083 15.314 ( -4.187 -5.727 -15.363) 16.921 ======================= Grid point 475 (242/306) ======================= q-point: (-0.40 -0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -8.712 -0.000 1.209) 8.796 1.319 ( -4.469 -0.000 6.047) 7.519 1.493 ( -4.001 -0.000 -3.325) 5.202 1.663 ( -4.809 -0.000 -2.021) 5.216 1.806 ( -4.254 -0.000 0.430) 4.275 1.941 ( -4.362 -0.000 0.175) 4.365 2.011 ( 0.477 0.000 -0.331) 0.580 2.180 ( -1.842 -0.000 3.287) 3.768 2.187 ( 0.050 0.000 -2.898) 2.898 2.244 ( 4.447 0.000 0.856) 4.528 2.290 ( 2.860 0.000 -1.704) 3.329 2.394 ( -0.744 -0.000 2.483) 2.592 2.635 ( 15.518 0.000 7.295) 17.147 2.726 ( 5.017 0.000 -5.584) 7.506 3.394 ( -15.464 -0.000 -4.236) 16.033 3.965 ( 6.780 0.000 -5.061) 8.461 4.294 ( -3.100 -0.000 9.830) 10.307 4.629 ( 3.851 0.000 -4.066) 5.600 9.002 ( -2.855 -0.000 -11.661) 12.006 9.148 ( 8.041 0.000 -1.413) 8.164 10.241 ( -19.154 -0.000 26.809) 32.949 11.211 ( 9.970 0.000 -1.321) 10.057 12.092 ( -7.121 -0.000 1.861) 7.360 12.577 ( 10.900 0.000 -0.713) 10.923 12.688 ( -15.267 -0.000 -6.549) 16.612 13.253 ( 13.383 0.000 4.919) 14.259 14.002 ( -2.925 -0.000 2.656) 3.950 14.203 ( 3.182 0.000 0.116) 3.184 14.901 ( -7.917 -0.000 0.797) 7.957 15.366 ( 6.349 0.000 -10.143) 11.966 ======================= Grid point 476 (243/306) ======================= q-point: (-0.30 -0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -9.549 -0.417 2.967) 10.008 1.303 ( -9.066 -0.129 6.061) 10.906 1.404 ( -3.845 -0.283 -5.153) 6.436 1.550 ( -5.185 0.949 -5.982) 7.973 1.754 ( -3.818 3.026 2.543) 5.496 1.909 ( -4.584 -2.894 0.853) 5.488 2.009 ( 1.493 1.363 -0.451) 2.072 2.183 ( -2.353 -0.805 1.040) 2.695 2.190 ( 1.359 -1.720 -0.849) 2.351 2.293 ( 5.509 0.955 -1.478) 5.783 2.322 ( 4.233 1.935 0.179) 4.658 2.421 ( 0.144 -0.821 2.758) 2.881 2.729 ( 5.044 0.414 -4.613) 6.848 2.897 ( 14.197 -1.966 6.854) 15.887 3.171 ( -15.936 -0.206 -2.730) 16.169 3.947 ( 1.817 2.600 -4.602) 5.589 4.340 ( -1.870 2.583 6.734) 7.451 4.652 ( 3.845 -4.698 -5.296) 8.056 8.886 ( -2.146 -0.609 -5.854) 6.265 9.211 ( 4.525 -1.079 -2.496) 5.279 10.347 ( -10.268 2.270 30.694) 32.445 11.287 ( 8.468 -0.490 -5.174) 9.936 12.005 ( -6.563 5.092 1.174) 8.389 12.395 ( -12.074 -3.171 -11.429) 16.925 12.783 ( 10.555 3.216 10.496) 15.229 13.454 ( 13.310 1.566 5.300) 14.411 13.985 ( -2.541 1.851 2.769) 4.189 14.229 ( 4.135 2.406 -1.173) 4.926 14.802 ( -10.872 -2.523 -0.537) 11.174 15.306 ( 1.079 -3.339 -14.908) 15.315 ======================= Grid point 477 (244/306) ======================= q-point: (-0.20 -0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -9.636 -1.408 4.155) 10.588 1.221 ( -12.200 -2.099 -0.164) 12.380 1.323 ( -4.106 0.427 -1.309) 4.331 1.439 ( -0.018 1.575 -5.853) 6.061 1.701 ( -4.422 2.651 3.086) 6.009 1.911 ( -4.686 -4.401 1.432) 6.586 2.009 ( 2.407 1.549 -0.767) 2.964 2.167 ( -4.038 -0.672 1.786) 4.466 2.221 ( 0.601 -1.788 0.166) 1.894 2.318 ( 6.043 2.100 -3.824) 7.453 2.343 ( 3.888 2.565 0.248) 4.664 2.463 ( 1.103 -0.831 1.748) 2.228 2.741 ( 4.830 0.593 -3.553) 6.025 2.970 ( -12.166 -1.145 -1.583) 12.322 3.157 ( 10.305 -2.529 6.785) 12.594 3.871 ( -0.967 3.272 -4.092) 5.328 4.325 ( -1.257 4.712 3.358) 5.921 4.711 ( 3.154 -5.926 -4.493) 8.078 8.847 ( -0.337 -0.889 -1.252) 1.572 9.238 ( -0.114 -4.055 -2.292) 4.659 10.512 ( -2.339 10.989 28.205) 30.361 11.352 ( 8.211 -5.174 -4.706) 10.787 11.827 ( -7.922 8.946 -2.156) 12.143 12.265 ( -8.581 -7.772 -4.069) 12.272 12.957 ( 9.724 6.693 10.202) 15.602 13.624 ( 11.835 2.927 4.431) 12.972 13.968 ( 0.154 2.735 3.114) 4.147 14.213 ( 2.769 4.053 -2.845) 5.674 14.712 ( -11.050 -5.138 -0.758) 12.210 15.171 ( -4.645 -6.029 -17.949) 19.496 ======================= Grid point 478 (245/306) ======================= q-point: (-0.10 -0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -8.006 -2.034 1.514) 8.398 1.091 ( -13.303 -4.817 -1.594) 14.238 1.273 ( -4.298 -0.503 1.410) 4.552 1.402 ( 4.577 2.165 -3.538) 6.177 1.659 ( -4.629 0.979 3.794) 6.064 1.926 ( -4.658 -4.689 1.702) 6.825 2.010 ( 2.550 1.402 -1.573) 3.308 2.144 ( -5.013 -0.670 2.750) 5.757 2.242 ( 0.018 -0.416 0.558) 0.696 2.314 ( 4.969 2.291 -4.621) 7.162 2.359 ( 3.514 2.521 0.299) 4.335 2.496 ( 1.400 -0.531 0.207) 1.511 2.747 ( 3.008 0.781 -3.432) 4.630 2.869 ( -6.633 -2.193 0.626) 7.014 3.349 ( 6.826 -1.921 5.259) 8.828 3.776 ( -3.135 2.253 -3.528) 5.230 4.289 ( 1.670 5.228 1.423) 5.670 4.757 ( 1.272 -3.523 -2.960) 4.774 8.861 ( 1.787 -0.705 -0.148) 1.927 9.271 ( -2.604 -6.679 0.107) 7.169 10.541 ( -2.840 17.862 17.274) 25.010 11.530 ( 10.706 -7.799 -1.149) 13.295 11.622 ( -6.380 6.479 -0.541) 9.108 12.260 ( -6.694 -9.106 0.402) 11.309 13.014 ( 2.903 10.423 4.566) 11.744 13.762 ( 9.741 1.930 5.175) 11.198 14.013 ( 6.400 2.478 4.298) 8.098 14.147 ( -1.307 3.374 -2.978) 4.687 14.617 ( -10.088 -4.343 -7.487) 13.292 15.028 ( -5.508 -8.379 -11.772) 15.463 ======================= Grid point 486 (246/306) ======================= q-point: (-0.30 -0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -10.523 -0.000 4.692) 11.522 1.190 ( -12.960 -0.000 -1.043) 13.002 1.337 ( -4.372 -0.000 0.362) 4.387 1.460 ( -0.356 -0.000 -6.026) 6.037 1.763 ( -3.262 -0.000 2.931) 4.386 1.821 ( -9.044 -0.000 2.563) 9.401 2.028 ( 1.147 0.000 -0.124) 1.154 2.176 ( -1.949 -0.000 1.660) 2.560 2.182 ( 2.391 0.000 -1.912) 3.062 2.342 ( 6.334 0.000 -3.754) 7.363 2.389 ( 4.236 0.000 -0.102) 4.238 2.445 ( 0.477 0.000 2.468) 2.513 2.749 ( 5.018 0.000 -3.558) 6.151 2.953 ( -13.035 -0.000 -2.120) 13.206 3.125 ( 10.751 0.000 7.531) 13.127 3.905 ( -3.411 -0.000 -3.872) 5.160 4.426 ( 1.734 0.000 4.898) 5.196 4.603 ( 3.876 0.000 -6.397) 7.479 8.840 ( -0.939 -0.000 1.161) 1.494 9.186 ( -0.698 -0.000 -4.507) 4.560 10.659 ( 3.372 0.000 33.991) 34.158 11.279 ( 4.831 0.000 -10.469) 11.530 12.008 ( -5.387 -0.000 4.826) 7.233 12.101 ( -12.634 -0.000 -11.013) 16.760 13.038 ( 10.795 0.000 10.155) 14.820 13.656 ( 10.768 0.000 4.265) 11.582 14.002 ( -1.818 -0.000 4.272) 4.643 14.275 ( 3.884 0.000 -2.981) 4.896 14.645 ( -11.001 -0.000 -0.234) 11.004 15.087 ( -5.707 -0.000 -19.816) 20.622 ======================= Grid point 487 (247/306) ======================= q-point: (-0.20 -0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -10.347 -0.778 5.151) 11.585 1.011 ( -15.144 -1.866 -3.064) 15.563 1.287 ( -5.337 0.921 1.878) 5.732 1.432 ( 4.697 0.547 -3.730) 6.023 1.703 ( -8.177 2.900 5.029) 10.028 1.802 ( -6.651 -5.149 3.441) 9.088 2.034 ( 1.611 0.594 -1.295) 2.150 2.158 ( -1.640 1.612 1.525) 2.760 2.208 ( 1.069 -2.041 -0.508) 2.359 2.362 ( 6.565 1.152 -6.164) 9.078 2.416 ( 3.047 2.087 0.183) 3.698 2.480 ( 1.164 -0.873 1.006) 1.769 2.768 ( 2.619 1.053 -2.853) 4.013 2.815 ( -7.411 -2.035 -0.707) 7.718 3.316 ( 8.055 -0.792 6.435) 10.340 3.806 ( -6.277 0.510 -3.566) 7.237 4.443 ( 4.070 6.982 1.813) 8.283 4.642 ( 4.167 -5.806 -3.548) 7.978 8.875 ( 0.734 1.260 6.009) 6.183 9.138 ( -2.734 -3.969 -3.824) 6.152 10.944 ( 5.857 15.929 16.145) 23.425 11.301 ( 7.857 -11.665 -1.515) 14.145 11.808 ( -9.227 8.045 -3.893) 12.845 12.064 ( -6.612 -7.407 2.681) 10.284 13.188 ( 4.434 3.972 3.862) 7.096 13.776 ( 5.336 -0.097 1.048) 5.439 14.059 ( 3.525 1.388 8.081) 8.925 14.244 ( 1.250 3.373 -4.184) 5.518 14.561 ( -7.598 0.369 -0.123) 7.608 14.814 ( -10.565 -8.423 -18.102) 22.589 ======================= Grid point 488 (248/306) ======================= q-point: (-0.10 -0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -11.768 -1.027 1.059) 11.860 0.888 ( -10.783 -5.126 3.835) 12.540 1.244 ( -4.550 -0.272 2.749) 5.323 1.467 ( 6.201 1.623 -1.106) 6.505 1.648 ( -7.492 0.515 6.926) 10.216 1.826 ( -5.393 -4.970 3.434) 8.098 2.025 ( 1.674 0.884 -2.422) 3.074 2.132 ( -2.491 1.532 1.777) 3.422 2.233 ( 0.088 -1.468 -0.105) 1.475 2.347 ( 5.475 2.146 -6.759) 8.959 2.428 ( 2.562 2.026 0.784) 3.359 2.504 ( 1.284 -0.314 -0.600) 1.452 2.718 ( -2.865 -1.182 -1.675) 3.523 2.824 ( 2.247 -1.308 -0.611) 2.671 3.440 ( 2.881 -0.033 3.535) 4.560 3.685 ( -7.523 -0.091 -3.155) 8.158 4.441 ( 8.144 7.312 1.162) 11.007 4.719 ( 2.980 -3.291 -0.991) 4.549 8.902 ( 0.788 2.933 1.043) 3.211 9.181 ( -1.105 -7.355 4.942) 8.930 10.805 ( -1.786 15.751 -2.482) 16.045 11.544 ( 4.624 -0.846 -3.518) 5.871 11.659 ( 0.198 0.113 7.127) 7.131 12.091 ( -7.611 -7.115 2.965) 10.832 13.106 ( -4.997 6.531 -5.657) 9.981 13.829 ( 0.652 -4.070 -1.873) 4.528 14.160 ( -3.612 5.339 -4.372) 7.789 14.191 ( 6.054 4.805 8.700) 11.637 14.343 ( -7.957 -3.297 -10.653) 13.699 14.840 ( 2.142 -10.844 3.628) 11.633 ======================= Grid point 497 (249/306) ======================= q-point: (-0.20 -0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -15.812 -0.000 0.943) 15.840 0.817 ( -9.607 -0.000 5.835) 11.240 1.245 ( -5.507 -0.000 1.322) 5.663 1.481 ( 6.476 0.000 -0.659) 6.509 1.667 ( -13.184 -0.000 10.995) 17.167 1.754 ( -1.634 -0.000 2.046) 2.619 2.037 ( 1.559 0.000 -2.352) 2.822 2.180 ( -2.472 -0.000 3.223) 4.062 2.188 ( 1.579 0.000 -2.454) 2.918 2.373 ( 6.031 0.000 -7.619) 9.717 2.458 ( 3.041 0.000 -1.179) 3.262 2.495 ( 0.690 0.000 1.066) 1.270 2.701 ( -5.896 -0.000 -0.520) 5.919 2.810 ( 4.630 0.000 -2.114) 5.090 3.441 ( 4.269 0.000 4.422) 6.146 3.683 ( -8.951 -0.000 -3.411) 9.579 4.583 ( 5.045 0.000 3.385) 6.076 4.627 ( 8.146 0.000 -3.301) 8.790 9.007 ( 2.330 0.000 13.223) 13.426 9.024 ( -2.911 -0.000 -5.568) 6.283 11.039 ( -0.194 -0.000 -17.281) 17.282 11.461 ( 12.960 0.000 14.400) 19.373 11.694 ( -6.865 -0.000 -5.974) 9.100 12.026 ( -6.094 -0.000 8.573) 10.518 13.174 ( -6.923 -0.000 -8.197) 10.729 13.778 ( -0.230 -0.000 -3.987) 3.994 14.251 ( 2.916 0.000 -2.403) 3.779 14.256 ( 4.359 0.000 5.781) 7.240 14.335 ( -14.702 -0.000 -12.135) 19.063 14.638 ( 1.552 0.000 11.335) 11.440 ======================= Grid point 498 (250/306) ======================= q-point: (-0.10 -0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -7.038 -0.954 9.307) 11.707 0.791 ( -7.821 -2.876 6.184) 10.377 1.203 ( -4.299 -1.272 1.493) 4.725 1.549 ( 3.052 1.304 2.874) 4.390 1.648 ( -8.030 0.371 10.629) 13.327 1.781 ( -0.326 -2.365 2.903) 3.758 2.025 ( 1.422 0.501 -2.780) 3.162 2.144 ( -1.617 2.638 0.049) 3.095 2.205 ( -1.397 -2.246 0.231) 2.655 2.353 ( 4.773 0.939 -7.296) 8.769 2.475 ( 2.925 0.744 -1.075) 3.204 2.511 ( 0.639 0.034 0.134) 0.654 2.657 ( -2.406 -1.459 -0.309) 2.831 2.842 ( 3.796 -0.402 -1.765) 4.205 3.475 ( -3.229 2.680 -0.375) 4.213 3.555 ( -6.567 -2.550 -2.208) 7.383 4.641 ( 9.496 5.397 2.157) 11.133 4.740 ( 6.684 -2.107 0.558) 7.030 8.918 ( -2.356 3.004 -3.821) 5.401 9.225 ( 3.660 -4.580 15.266) 16.353 10.808 ( -0.995 7.012 -17.192) 18.593 11.553 ( -0.233 3.587 -2.845) 4.584 11.684 ( -0.893 -5.502 0.944) 5.653 11.995 ( -10.180 0.191 4.676) 11.204 12.927 ( -12.912 -0.062 -14.345) 19.300 13.685 ( -7.336 -3.250 -15.053) 17.057 13.904 ( -14.245 1.206 -8.318) 16.540 14.260 ( 2.847 0.707 -2.624) 3.936 14.571 ( 14.459 6.460 19.320) 24.981 14.883 ( 7.883 -9.090 13.476) 18.065 ======================= Grid point 508 (251/306) ======================= q-point: (-0.10 -0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -6.278 -0.000 7.464) 9.753 0.815 ( 3.554 0.000 14.959) 15.375 1.164 ( -2.949 -0.000 1.814) 3.462 1.605 ( -0.472 -0.000 2.854) 2.893 1.681 ( -5.832 -0.000 10.485) 11.998 1.819 ( 4.152 0.000 3.290) 5.297 2.018 ( 0.674 0.000 -1.293) 1.458 2.137 ( 0.337 0.000 -5.789) 5.799 2.166 ( -5.351 -0.000 4.854) 7.224 2.340 ( 3.968 0.000 -6.088) 7.267 2.499 ( 3.432 0.000 -2.124) 4.036 2.518 ( -0.196 -0.000 0.395) 0.441 2.633 ( -0.153 -0.000 0.530) 0.552 2.863 ( 3.285 0.000 -1.896) 3.793 3.374 ( -10.687 -0.000 -3.899) 11.376 3.478 ( -2.047 -0.000 -2.509) 3.238 4.795 ( 6.200 0.000 4.107) 7.437 4.842 ( 10.757 0.000 0.252) 10.759 8.865 ( -3.400 -0.000 -2.421) 4.174 9.428 ( 5.678 0.000 17.906) 18.784 10.650 ( 1.472 0.000 -21.529) 21.580 11.516 ( -15.396 -0.000 -8.055) 17.376 11.572 ( 1.611 0.000 0.166) 1.619 11.910 ( -12.622 -0.000 6.522) 14.207 12.600 ( -14.216 -0.000 -15.497) 21.030 13.329 ( -12.765 -0.000 -21.457) 24.967 13.809 ( -2.090 -0.000 0.510) 2.152 14.249 ( 0.609 0.000 -4.149) 4.194 15.032 ( 4.765 0.000 15.790) 16.493 15.039 ( 21.856 0.000 15.366) 26.718 ======================= Grid point 509 (252/306) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.102 -0.000 10.697) 10.697 1.223 ( 0.362 0.000 -1.708) 1.746 1.469 ( -3.345 -0.000 9.084) 9.680 1.548 ( -0.612 -0.000 -2.723) 2.791 1.595 ( 8.265 0.000 -1.175) 8.348 1.741 ( -4.005 -0.000 -10.687) 11.413 2.099 ( -2.542 -0.000 1.540) 2.973 2.101 ( 2.395 0.000 1.850) 3.026 2.323 ( -5.744 -0.000 6.782) 8.887 2.392 ( 6.142 0.000 1.895) 6.428 2.455 ( 3.543 0.000 -4.005) 5.347 2.456 ( -4.049 -0.000 -1.782) 4.424 2.847 ( 9.702 0.000 4.620) 10.746 2.908 ( -5.637 -0.000 0.061) 5.637 3.015 ( -1.948 -0.000 0.898) 2.145 3.131 ( -3.216 -0.000 -8.434) 9.026 5.028 ( 1.786 0.000 0.974) 2.034 5.032 ( 0.432 0.000 0.358) 0.561 9.084 ( -2.773 -0.000 18.613) 18.818 9.501 ( -1.152 -0.000 -21.455) 21.486 10.490 ( 18.649 0.000 8.682) 20.571 10.664 ( -20.094 -0.000 -8.349) 21.760 11.840 ( 10.484 0.000 3.114) 10.937 11.858 ( -11.034 -0.000 1.434) 11.127 12.157 ( 0.569 0.000 5.197) 5.228 12.358 ( -2.642 -0.000 -14.221) 14.464 13.923 ( 3.120 0.000 3.469) 4.666 14.006 ( -3.550 -0.000 -4.874) 6.029 15.532 ( -4.508 -0.000 6.885) 8.230 15.631 ( 9.096 0.000 -3.012) 9.582 ======================= Grid point 510 (253/306) ======================= q-point: ( 0.10 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -0.789 0.317 -1.757) 1.952 1.220 ( 3.200 -3.763 1.862) 5.279 1.484 ( -3.329 1.351 5.209) 6.328 1.515 ( -4.686 -0.836 -1.328) 4.942 1.595 ( 0.601 -0.060 -10.079) 10.097 1.727 ( 6.799 -0.534 5.431) 8.718 2.078 ( -2.503 0.167 -0.282) 2.524 2.130 ( 1.837 1.080 0.852) 2.295 2.296 ( -5.752 1.860 2.264) 6.455 2.360 ( -2.466 3.475 -0.400) 4.279 2.459 ( 1.385 -0.720 -3.142) 3.509 2.489 ( 4.102 -1.891 0.718) 4.574 2.791 ( -6.367 1.007 -4.321) 7.760 2.996 ( 7.901 0.647 1.048) 7.997 3.045 ( -0.441 -1.189 -1.962) 2.336 3.107 ( 3.118 -4.593 6.757) 8.745 4.977 ( -5.222 3.998 -0.565) 6.601 5.023 ( -1.368 0.732 -1.971) 2.509 9.230 ( -4.066 4.392 10.312) 11.923 9.294 ( 1.395 -0.008 -5.909) 6.072 10.383 ( -16.459 -2.085 -7.614) 18.254 10.830 ( 20.134 -2.839 9.317) 22.366 11.744 ( -8.260 0.065 -0.477) 8.274 11.974 ( 11.131 2.710 0.235) 11.459 12.280 ( 3.487 -4.554 -0.161) 5.738 12.343 ( 9.093 -8.232 3.405) 12.730 13.913 ( -4.236 0.534 -3.796) 5.713 13.993 ( 2.314 0.080 4.267) 4.855 15.494 ( -8.371 1.607 2.531) 8.892 15.648 ( 4.543 1.333 -7.732) 9.066 ======================= Grid point 511 (254/306) ======================= q-point: ( 0.20 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.419 -0.364 -6.935) 6.957 1.336 ( 3.058 -5.316 -1.061) 6.224 1.373 ( -7.047 -1.397 -9.704) 12.074 1.491 ( -0.379 3.319 7.797) 8.482 1.611 ( 3.928 -1.086 0.342) 4.090 1.840 ( 2.676 0.374 4.332) 5.106 2.009 ( -3.015 1.594 -4.565) 5.698 2.146 ( 1.200 0.856 1.500) 2.103 2.217 ( -4.441 0.867 0.627) 4.568 2.320 ( -2.001 2.336 2.182) 3.771 2.444 ( 0.395 -0.490 -3.131) 3.194 2.542 ( 2.982 -0.445 -1.114) 3.214 2.684 ( -2.755 1.605 -2.693) 4.173 2.982 ( -4.216 -5.221 -4.407) 8.029 3.151 ( 10.145 3.080 5.142) 11.784 3.293 ( 5.040 -5.571 7.387) 10.536 4.814 ( -9.864 6.515 -1.627) 11.933 4.951 ( -3.166 1.174 -4.030) 5.258 9.062 ( 0.482 4.104 -12.758) 13.411 9.459 ( 0.240 2.632 22.587) 22.741 10.173 ( -14.273 -4.526 -5.923) 16.102 11.183 ( 17.811 -2.413 9.101) 20.147 11.658 ( -4.328 -0.133 -2.432) 4.967 12.072 ( 11.047 -0.245 -0.623) 11.067 12.433 ( 8.078 -7.013 2.069) 10.896 12.670 ( 14.476 -9.866 10.315) 20.329 13.829 ( -3.133 1.053 -1.981) 3.853 14.058 ( 1.113 -0.230 4.446) 4.589 15.350 ( -11.299 2.938 -3.153) 12.094 15.559 ( 0.011 2.411 -10.516) 10.789 ======================= Grid point 512 (255/306) ======================= q-point: ( 0.30 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -0.749 -0.497 -6.731) 6.791 1.235 ( -2.353 -2.242 -9.689) 10.220 1.367 ( -1.112 -1.916 -1.190) 2.515 1.557 ( 1.584 2.468 5.089) 5.873 1.658 ( 0.840 0.323 0.393) 0.982 1.817 ( -1.855 1.245 -1.263) 2.566 1.975 ( 1.399 -0.890 0.176) 1.668 2.170 ( 1.644 -0.479 0.084) 1.714 2.190 ( -2.375 -0.684 0.986) 2.661 2.291 ( -1.301 2.118 1.444) 2.875 2.420 ( -1.909 -0.306 -1.014) 2.183 2.543 ( 1.546 1.743 -1.924) 3.021 2.646 ( 1.131 0.484 -0.851) 1.496 2.955 ( -4.869 -5.234 -2.638) 7.620 3.281 ( 9.645 3.065 4.651) 11.138 3.481 ( 5.111 -4.987 5.512) 9.021 4.581 ( -12.130 7.135 -2.651) 14.320 4.859 ( -3.145 0.678 -4.100) 5.211 8.928 ( 2.498 3.781 -8.254) 9.416 9.607 ( -0.070 5.674 11.866) 13.153 10.082 ( -10.775 -9.055 5.301) 15.040 11.439 ( 7.497 -1.772 4.997) 9.182 11.606 ( 3.959 3.235 -1.681) 5.382 12.243 ( 10.103 -6.657 1.250) 12.163 12.618 ( 7.064 -3.490 3.122) 8.475 13.086 ( 16.615 -9.780 12.893) 23.193 13.796 ( 1.041 0.402 0.678) 1.306 14.109 ( -0.233 -0.392 3.640) 3.668 15.104 ( -12.187 4.068 -9.975) 16.266 15.395 ( -4.383 2.742 -10.568) 11.765 ======================= Grid point 513 (256/306) ======================= q-point: ( 0.40 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -1.451 -0.087 -6.103) 6.274 1.194 ( 3.421 -3.105 -6.276) 7.793 1.356 ( -3.129 0.493 1.339) 3.439 1.461 ( -7.660 5.306 -1.946) 9.519 1.672 ( 1.311 1.001 1.753) 2.407 1.865 ( 3.957 -3.385 0.944) 5.292 2.002 ( 0.787 -0.204 0.652) 1.042 2.181 ( 1.839 -1.473 -3.967) 4.614 2.194 ( -0.399 -0.819 1.224) 1.526 2.275 ( -1.469 1.219 1.560) 2.465 2.383 ( -3.335 1.131 1.397) 3.788 2.523 ( 1.242 1.656 -0.928) 2.269 2.660 ( 2.160 -0.353 -0.888) 2.362 2.936 ( -3.969 -3.345 -0.861) 5.261 3.390 ( 7.189 2.430 3.613) 8.405 3.628 ( 4.414 -3.444 2.588) 6.168 4.343 ( -10.479 4.968 -2.610) 11.887 4.790 ( -2.030 0.015 -2.706) 3.383 8.865 ( 3.389 2.738 -3.924) 5.864 9.555 ( -3.818 5.290 -0.367) 6.534 10.232 ( -3.998 -9.897 14.489) 17.996 11.476 ( -3.535 -2.642 -1.693) 4.726 11.664 ( 10.936 6.305 1.856) 12.759 12.449 ( 6.302 -7.545 1.970) 10.026 12.716 ( 2.343 0.224 1.995) 3.086 13.518 ( 15.500 -7.899 14.716) 22.786 13.870 ( 6.915 -1.364 3.335) 7.797 14.126 ( -2.065 0.100 1.478) 2.541 14.786 ( -11.729 4.430 -15.371) 19.836 15.201 ( -6.299 2.778 -8.111) 10.638 ======================= Grid point 514 (257/306) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -1.711 0.638 -2.638) 3.209 1.219 ( -5.108 4.065 -0.288) 6.534 1.268 ( 3.232 -2.286 -2.404) 4.631 1.384 ( -3.274 0.927 3.678) 5.011 1.684 ( 0.388 0.369 0.505) 0.736 1.935 ( 2.136 -1.482 -1.047) 2.803 2.010 ( -0.117 0.480 0.630) 0.800 2.181 ( -0.683 -0.645 -2.486) 2.657 2.211 ( 0.630 -0.704 -0.110) 0.951 2.244 ( -1.071 0.852 0.681) 1.529 2.372 ( -0.359 -0.151 1.991) 2.028 2.513 ( -0.035 0.649 -0.090) 0.656 2.678 ( 2.098 -0.314 -1.581) 2.646 2.922 ( -1.741 0.060 0.722) 1.886 3.453 ( 2.250 0.919 1.371) 2.790 3.699 ( 0.179 -0.923 0.261) 0.976 4.217 ( -1.413 -0.244 -0.928) 1.709 4.757 ( -0.854 -0.132 -0.914) 1.258 8.851 ( 1.936 1.098 -1.684) 2.790 9.462 ( -2.059 3.573 1.155) 4.283 10.417 ( -2.039 -7.373 6.696) 10.166 11.452 ( -2.779 -2.326 -0.636) 3.679 11.706 ( 5.537 3.866 -0.450) 6.768 12.538 ( -0.052 5.672 3.920) 6.896 12.754 ( -0.575 -7.283 -2.317) 7.664 13.887 ( 9.634 -3.891 10.971) 15.110 14.022 ( 7.817 -1.218 3.858) 8.802 14.083 ( -3.752 0.152 -1.022) 3.891 14.447 ( -9.699 3.669 -14.508) 17.833 15.061 ( -2.007 2.194 -2.270) 3.741 ======================= Grid point 515 (258/306) ======================= q-point: (-0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -1.096 1.531 3.135) 3.657 1.088 ( -6.762 5.193 3.817) 9.341 1.358 ( 0.063 0.879 0.919) 1.274 1.405 ( 4.706 -3.438 3.967) 7.050 1.688 ( -0.604 -0.771 0.170) 0.994 1.917 ( -1.465 1.548 -3.148) 3.801 2.009 ( -0.109 -0.131 0.427) 0.460 2.124 ( -3.019 1.515 -0.026) 3.378 2.224 ( 1.292 -0.717 -1.238) 1.927 2.266 ( 0.756 -0.458 1.507) 1.747 2.405 ( 1.976 -1.480 0.154) 2.474 2.504 ( -1.285 -0.174 0.542) 1.406 2.680 ( 1.586 0.224 -2.525) 2.990 2.908 ( 0.611 3.224 1.858) 3.771 3.441 ( -4.718 -1.446 -1.594) 5.186 3.665 ( -3.332 1.639 -0.916) 3.824 4.304 ( 9.247 -5.086 1.067) 10.607 4.755 ( 0.401 -0.162 0.892) 0.991 8.838 ( -1.418 -0.819 -1.038) 1.939 9.472 ( 2.742 2.213 6.694) 7.565 10.457 ( -2.056 -3.298 -6.392) 7.481 11.456 ( -0.078 -1.277 0.546) 1.391 11.701 ( -2.073 -1.539 -2.163) 3.368 12.429 ( -5.064 12.734 4.042) 14.288 12.788 ( -4.273 -7.760 -5.584) 10.472 13.845 ( -7.432 7.176 -13.990) 17.391 13.954 ( -11.214 0.347 -6.445) 12.938 14.143 ( 4.913 -1.775 0.008) 5.223 14.451 ( 9.378 -3.449 15.120) 18.123 15.079 ( 5.807 1.250 4.613) 7.521 ======================= Grid point 516 (259/306) ======================= q-point: (-0.30 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 1.700 1.935 6.670) 7.150 1.035 ( -3.335 4.024 9.245) 10.620 1.325 ( -2.118 4.031 2.586) 5.237 1.562 ( 3.363 -5.075 4.347) 7.481 1.686 ( -1.168 -0.937 -0.866) 1.730 1.840 ( -0.447 1.313 -3.462) 3.730 2.011 ( 0.039 -1.150 -2.380) 2.644 2.097 ( -1.737 1.447 3.677) 4.316 2.233 ( 2.012 -0.459 -2.114) 2.955 2.286 ( -0.713 -0.127 2.189) 2.305 2.433 ( 1.609 -0.304 -1.720) 2.374 2.509 ( -0.575 -1.351 1.361) 2.002 2.663 ( 0.900 0.640 -2.266) 2.521 2.901 ( 2.043 4.452 2.547) 5.521 3.356 ( -9.778 -3.367 -3.214) 10.829 3.578 ( -2.812 3.567 -3.492) 5.729 4.527 ( 12.715 -6.839 2.293) 14.618 4.792 ( 2.138 -0.816 2.632) 3.488 8.828 ( -3.245 -2.425 1.454) 4.304 9.590 ( 5.548 0.814 9.477) 11.011 10.343 ( -0.308 -0.217 -15.690) 15.695 11.486 ( 3.307 0.936 0.228) 3.444 11.629 ( -11.526 -4.722 -4.232) 13.155 12.238 ( -8.758 10.898 2.647) 14.229 12.695 ( -9.198 -0.036 -6.404) 11.208 13.428 ( -14.636 7.623 -20.015) 25.940 13.825 ( -4.102 0.057 -1.939) 4.538 14.179 ( 2.052 -0.658 -3.206) 3.863 14.807 ( 11.439 -5.339 18.194) 22.144 15.223 ( 9.091 1.144 7.712) 11.977 ======================= Grid point 517 (260/306) ======================= q-point: (-0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -1.152 2.546 7.665) 8.158 1.129 ( 4.349 2.033 13.426) 14.259 1.279 ( -2.213 4.262 3.670) 6.044 1.624 ( -1.331 -1.755 -2.349) 3.220 1.658 ( -2.160 -1.122 -2.927) 3.807 1.874 ( 4.731 -3.009 2.324) 6.069 1.978 ( -0.753 -0.424 -4.903) 4.978 2.110 ( -1.571 1.233 4.604) 5.018 2.243 ( 2.452 -0.598 -1.805) 3.103 2.310 ( -1.021 -0.027 4.947) 5.052 2.424 ( 0.791 -0.776 -3.054) 3.249 2.531 ( 0.435 -0.012 0.440) 0.619 2.657 ( 1.609 0.102 0.034) 1.613 2.903 ( 2.084 4.228 2.982) 5.578 3.239 ( -11.064 -3.753 -3.937) 12.329 3.445 ( -2.992 4.567 -6.737) 8.671 4.772 ( 11.440 -5.901 2.375) 13.089 4.873 ( 3.586 -1.719 3.592) 5.359 8.859 ( -3.239 -3.076 6.214) 7.653 9.729 ( 3.584 -1.575 3.171) 5.038 10.197 ( 6.049 2.064 -13.909) 15.307 11.367 ( -14.943 2.194 -9.550) 17.869 11.590 ( 0.975 -2.225 3.676) 4.406 12.056 ( -10.471 4.074 1.971) 11.407 12.472 ( -11.209 6.993 -4.350) 13.909 12.984 ( -13.036 6.354 -19.230) 24.086 13.807 ( 0.779 -0.929 0.424) 1.284 14.152 ( -0.186 -0.182 -4.823) 4.830 15.167 ( 9.993 -5.891 14.576) 18.629 15.389 ( 8.598 1.555 7.058) 11.232 ======================= Grid point 518 (261/306) ======================= q-point: (-0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.424 1.697 10.464) 10.696 1.229 ( -0.867 2.410 3.551) 4.378 1.334 ( 4.932 0.812 12.469) 13.434 1.586 ( -0.374 -0.391 -4.027) 4.063 1.605 ( -0.623 -0.742 -6.090) 6.166 1.876 ( -2.502 -0.526 -8.722) 9.089 2.020 ( 3.128 -2.169 5.177) 6.426 2.112 ( -2.132 0.841 2.631) 3.489 2.279 ( 1.287 -2.230 1.802) 3.143 2.346 ( -0.476 2.793 5.995) 6.631 2.429 ( 2.490 -3.313 -4.151) 5.865 2.517 ( -1.038 1.389 -1.018) 2.011 2.714 ( 5.393 -0.307 3.194) 6.276 2.912 ( 0.898 2.907 3.721) 4.806 3.112 ( -9.881 -2.608 -4.316) 11.093 3.280 ( -3.222 3.643 -8.773) 10.031 4.952 ( 6.591 -2.623 1.928) 7.351 4.973 ( 3.793 -2.122 2.623) 5.077 8.948 ( -2.798 -2.226 12.235) 12.747 9.699 ( -1.074 -2.550 -16.309) 16.542 10.241 ( 14.899 2.525 3.169) 15.440 11.017 ( -21.478 2.653 -9.335) 23.569 11.695 ( 6.890 -0.829 3.895) 7.958 11.948 ( -10.439 -1.655 2.600) 10.885 12.234 ( -7.947 8.054 -0.678) 11.335 12.611 ( -8.551 3.916 -17.695) 20.039 13.855 ( 2.921 -0.581 2.212) 3.710 14.090 ( -2.055 -0.139 -5.261) 5.650 15.437 ( 3.180 -4.406 10.402) 11.736 15.522 ( 9.453 1.660 2.801) 9.998 ======================= Grid point 520 (262/306) ======================= q-point: ( 0.10 0.10 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 1.513 0.000 -9.197) 9.321 1.262 ( 3.861 0.000 0.889) 3.962 1.357 ( -7.556 -0.000 -9.244) 11.939 1.537 ( -1.180 -0.000 6.593) 6.698 1.595 ( 4.238 0.000 0.854) 4.323 1.841 ( 3.668 0.000 5.385) 6.515 2.029 ( -3.712 -0.000 -3.293) 4.962 2.159 ( 2.454 0.000 -1.251) 2.754 2.235 ( -6.830 -0.000 0.028) 6.830 2.358 ( -4.754 -0.000 4.694) 6.681 2.435 ( 2.289 0.000 -5.300) 5.773 2.531 ( 3.854 0.000 -0.368) 3.872 2.698 ( -3.212 -0.000 -3.534) 4.776 2.919 ( -2.819 -0.000 -4.954) 5.700 3.191 ( 2.011 0.000 10.070) 10.269 3.221 ( 13.055 0.000 4.024) 13.661 4.916 ( -7.425 -0.000 -2.343) 7.786 4.942 ( -6.959 -0.000 -3.557) 7.816 9.117 ( 1.030 0.000 -14.854) 14.889 9.487 ( -3.577 -0.000 27.744) 27.973 10.122 ( -11.518 -0.000 -9.749) 15.090 11.147 ( 19.208 0.000 10.158) 21.729 11.649 ( -5.481 -0.000 -1.456) 5.671 12.133 ( 11.761 0.000 -1.928) 11.918 12.294 ( 11.407 0.000 -1.941) 11.571 12.549 ( 13.359 0.000 15.209) 20.243 13.845 ( -2.960 -0.000 -1.828) 3.479 14.055 ( 0.541 0.000 4.705) 4.736 15.385 ( -11.489 -0.000 -2.818) 11.829 15.587 ( 0.107 0.000 -11.334) 11.335 ======================= Grid point 521 (263/306) ======================= q-point: ( 0.20 0.10 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 2.169 0.420 -8.057) 8.354 1.194 ( -2.851 -1.080 -10.900) 11.319 1.315 ( 4.639 -1.687 -2.938) 5.745 1.584 ( -1.412 -0.054 5.844) 6.013 1.668 ( 3.685 0.803 3.832) 5.377 1.869 ( -5.123 1.711 -2.243) 5.848 1.960 ( 0.585 -0.339 0.406) 0.789 2.165 ( 2.094 -0.025 -2.411) 3.193 2.181 ( -4.048 -0.115 1.984) 4.509 2.343 ( -3.522 1.913 3.791) 5.517 2.403 ( -0.034 -0.824 -3.942) 4.027 2.563 ( 3.821 0.206 -2.126) 4.377 2.656 ( 0.001 0.107 -1.153) 1.158 2.858 ( -3.679 -2.464 -2.663) 5.167 3.316 ( 3.212 0.020 8.677) 9.252 3.413 ( 11.888 -0.752 3.713) 12.477 4.736 ( -11.118 5.838 -3.399) 13.010 4.836 ( -7.795 -2.684 -3.882) 9.112 9.003 ( 2.557 2.078 -9.532) 10.085 9.705 ( -1.494 2.261 19.430) 19.618 9.932 ( -10.630 -3.348 -1.585) 11.257 11.432 ( 11.523 1.018 7.005) 13.524 11.612 ( 0.998 -2.304 -0.032) 2.512 12.201 ( 10.174 2.447 -3.523) 11.042 12.506 ( 14.130 -5.208 3.456) 15.451 12.914 ( 16.539 -4.055 17.176) 24.187 13.817 ( 0.627 0.817 0.592) 1.188 14.100 ( -1.070 -0.278 4.572) 4.704 15.174 ( -13.227 1.670 -8.440) 15.779 15.434 ( -3.654 0.730 -13.665) 14.164 ======================= Grid point 522 (264/306) ======================= q-point: ( 0.30 0.10 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 2.437 1.498 -6.859) 7.431 1.123 ( 3.317 -2.792 -8.055) 9.148 1.347 ( 2.987 -0.577 -1.936) 3.606 1.552 ( -8.760 1.769 -2.114) 9.183 1.725 ( 3.250 2.787 2.920) 5.182 1.800 ( 0.426 -1.637 1.429) 2.215 1.996 ( 0.664 -0.156 2.153) 2.258 2.155 ( 1.043 -0.702 -4.223) 4.406 2.176 ( -1.600 -0.709 2.332) 2.915 2.311 ( -1.534 1.788 0.430) 2.395 2.383 ( -2.766 -0.828 0.877) 3.017 2.569 ( 3.210 1.778 -2.764) 4.594 2.660 ( 1.626 0.451 0.003) 1.687 2.841 ( -2.600 -4.276 -0.826) 5.072 3.425 ( 3.050 0.261 5.419) 6.224 3.582 ( 9.868 -0.402 2.858) 10.281 4.485 ( -12.498 6.733 -3.202) 14.553 4.752 ( -6.457 -3.176 -2.636) 7.663 8.940 ( 4.114 3.121 -5.065) 7.233 9.644 ( -3.347 2.035 -10.419) 11.131 10.058 ( -6.637 -4.639 26.745) 27.944 11.475 ( 0.297 2.911 -0.627) 2.993 11.743 ( 7.697 -1.620 3.210) 8.496 12.272 ( 7.150 -3.733 -3.637) 8.848 12.744 ( 10.886 0.146 6.707) 12.787 13.344 ( 16.361 -6.308 16.932) 24.375 13.866 ( 6.368 0.661 3.404) 7.251 14.125 ( -2.314 -0.209 3.409) 4.125 14.878 ( -12.628 3.304 -14.159) 19.258 15.233 ( -6.041 0.276 -12.764) 14.124 ======================= Grid point 523 (265/306) ======================= q-point: ( 0.40 0.10 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 3.512 2.708 -3.568) 5.691 1.162 ( 6.855 -3.720 -4.347) 8.929 1.356 ( -3.299 3.667 -1.112) 5.056 1.381 ( -5.914 0.028 -0.400) 5.927 1.736 ( 2.424 3.302 0.274) 4.105 1.884 ( 2.475 -2.735 2.546) 4.482 2.014 ( 0.017 0.102 0.595) 0.604 2.140 ( 0.291 -1.832 -2.589) 3.185 2.195 ( -0.364 -0.923 1.511) 1.808 2.273 ( -1.722 1.225 -0.793) 2.257 2.371 ( -2.884 -0.191 2.187) 3.624 2.546 ( 1.176 2.173 -1.798) 3.056 2.675 ( 1.860 0.112 -0.677) 1.982 2.880 ( 1.467 -3.355 0.681) 3.725 3.476 ( 0.663 0.592 0.668) 1.112 3.696 ( 5.533 0.868 1.631) 5.833 4.268 ( -7.905 4.335 -0.831) 9.054 4.711 ( -4.672 -3.666 -0.682) 5.978 8.912 ( 4.078 3.758 -3.199) 6.401 9.499 ( -2.110 -0.385 -8.075) 8.355 10.291 ( -5.332 -3.426 22.085) 22.977 11.427 ( -2.395 1.285 -0.613) 2.787 11.817 ( 5.275 3.106 -2.112) 6.476 12.378 ( 3.341 -9.721 -3.577) 10.884 12.857 ( 3.930 7.733 7.374) 11.385 13.742 ( 11.472 -7.218 12.112) 18.177 14.012 ( 8.662 0.454 6.142) 10.628 14.116 ( -1.105 1.268 2.193) 2.764 14.538 ( -10.771 4.151 -16.833) 20.411 15.068 ( -3.791 -1.309 -7.762) 8.737 ======================= Grid point 524 (266/306) ======================= q-point: (-0.50 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 4.336 4.105 1.758) 6.224 1.205 ( -5.944 4.368 0.478) 7.392 1.273 ( 6.864 -4.605 -0.593) 8.286 1.395 ( -0.495 -0.131 2.738) 2.785 1.718 ( 1.679 3.100 -0.848) 3.626 1.929 ( 0.218 -0.279 -0.866) 0.935 2.011 ( -0.387 -0.041 -0.459) 0.602 2.140 ( -2.681 -0.868 0.553) 2.872 2.210 ( -0.531 -0.290 0.906) 1.090 2.252 ( 0.826 -0.440 0.467) 1.046 2.368 ( -0.919 -1.280 0.450) 1.639 2.517 ( -0.824 1.315 -0.377) 1.597 2.683 ( 1.937 -0.088 -2.248) 2.968 2.951 ( 4.580 0.128 1.946) 4.978 3.427 ( -5.526 0.245 -3.852) 6.740 3.713 ( -0.535 2.670 1.022) 2.908 4.231 ( 3.972 -1.044 1.817) 4.491 4.710 ( -3.394 -3.643 1.174) 5.115 8.866 ( 0.939 3.238 -3.581) 4.918 9.469 ( 2.648 -2.483 -1.696) 4.007 10.419 ( -5.507 -0.046 11.006) 12.307 11.395 ( -4.955 -2.524 1.997) 5.908 11.768 ( 3.624 5.521 -6.855) 9.519 12.479 ( -0.601 -9.295 -3.355) 9.900 12.814 ( -2.273 11.263 5.498) 12.738 13.923 ( -2.755 -2.521 -7.396) 8.286 13.989 ( -5.609 3.045 -2.111) 6.722 14.172 ( 2.705 5.686 -4.341) 7.648 14.375 ( 6.454 -3.237 10.920) 13.092 15.054 ( 3.893 -3.219 -0.225) 5.056 ======================= Grid point 525 (267/306) ======================= q-point: (-0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 6.745 4.805 4.968) 9.657 1.130 ( -3.211 3.916 5.891) 7.768 1.392 ( 2.933 0.185 1.147) 3.154 1.433 ( 1.332 -4.214 3.880) 5.881 1.693 ( 1.165 1.871 -1.573) 2.708 1.881 ( -2.149 1.837 -3.379) 4.406 1.997 ( -0.917 -0.113 -0.830) 1.241 2.124 ( -1.940 0.636 2.901) 3.547 2.220 ( 0.485 -0.577 -0.113) 0.762 2.277 ( -0.093 -0.550 0.728) 0.917 2.398 ( 1.617 -2.975 -0.322) 3.402 2.491 ( -1.935 0.317 0.618) 2.056 2.675 ( 1.892 0.213 -3.640) 4.108 3.010 ( 5.114 4.177 3.250) 7.360 3.289 ( -11.202 -1.920 -4.481) 12.217 3.664 ( -1.169 3.821 -1.285) 4.197 4.384 ( 10.634 -5.111 2.548) 12.070 4.739 ( -2.363 -3.731 2.799) 5.228 8.807 ( -1.863 0.937 -1.204) 2.408 9.559 ( 6.009 -3.618 0.421) 7.027 10.386 ( -4.416 3.873 0.271) 5.880 11.409 ( -7.557 -6.720 3.512) 10.705 11.657 ( 2.930 6.899 -7.647) 10.708 12.454 ( -7.491 2.530 -2.658) 8.341 12.705 ( -4.416 5.232 1.914) 7.109 13.614 ( -12.492 7.488 -18.437) 23.496 13.859 ( -4.070 3.002 -2.839) 5.800 14.165 ( 2.305 -0.266 -2.144) 3.159 14.693 ( 10.129 -4.459 17.849) 21.001 15.196 ( 8.775 -3.477 3.734) 10.151 ======================= Grid point 526 (268/306) ======================= q-point: (-0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 3.287 4.781 4.414) 7.290 1.189 ( 4.145 2.923 12.129) 13.147 1.390 ( -0.352 4.442 3.131) 5.446 1.530 ( -1.056 -4.870 0.436) 5.003 1.667 ( -0.297 0.846 -2.431) 2.591 1.825 ( 1.211 -0.386 -1.674) 2.102 1.973 ( -1.193 0.033 -1.806) 2.164 2.135 ( -0.916 0.742 3.200) 3.411 2.231 ( 1.223 -0.577 -0.804) 1.573 2.284 ( -0.065 -1.457 -0.254) 1.481 2.427 ( -0.973 0.315 0.585) 1.178 2.504 ( 1.259 -2.438 1.003) 2.922 2.656 ( 1.738 -0.017 -3.402) 3.821 3.038 ( 3.877 6.929 4.811) 9.284 3.143 ( -12.343 -4.302 -4.127) 13.708 3.565 ( -1.585 5.463 -4.830) 7.463 4.616 ( 11.861 -7.041 2.239) 13.974 4.799 ( -1.288 -4.486 4.000) 6.146 8.797 ( -2.735 -1.637 4.377) 5.415 9.650 ( 4.088 -4.938 -6.842) 9.376 10.296 ( 1.782 6.060 0.198) 6.319 11.361 ( -14.585 -4.734 -5.831) 16.406 11.590 ( 6.492 5.289 1.570) 8.520 12.232 ( -11.610 8.934 -2.124) 14.803 12.605 ( -6.126 4.548 -0.266) 7.634 13.183 ( -12.166 10.070 -17.129) 23.299 13.800 ( 0.626 0.760 -0.352) 1.046 14.147 ( -0.289 -0.204 -4.232) 4.246 15.033 ( 7.996 -5.549 16.496) 19.153 15.376 ( 9.213 -2.694 3.043) 10.069 ======================= Grid point 527 (269/306) ======================= q-point: (-0.20 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 1.267 4.085 7.861) 8.950 1.319 ( -0.515 4.216 6.633) 7.876 1.373 ( 2.844 2.946 8.259) 9.218 1.543 ( 2.141 -2.506 -4.563) 5.629 1.610 ( -1.605 0.975 -3.666) 4.118 1.847 ( -1.832 -2.001 -3.961) 4.801 1.966 ( 1.278 -1.511 3.072) 3.654 2.132 ( -1.603 0.685 0.906) 1.965 2.248 ( 1.678 -0.743 -0.651) 1.947 2.319 ( 1.194 -4.015 -1.128) 4.338 2.412 ( -1.567 1.536 3.034) 3.744 2.540 ( 1.414 0.214 -1.558) 2.115 2.683 ( 4.317 -2.291 0.944) 4.977 3.008 ( -9.220 -1.386 -1.306) 9.415 3.053 ( 0.543 4.179 3.189) 5.285 3.407 ( -2.401 6.684 -7.623) 10.418 4.841 ( 9.422 -6.579 1.007) 11.536 4.885 ( -1.006 -5.250 3.935) 6.638 8.873 ( -2.615 -3.370 11.287) 12.066 9.600 ( 0.070 -5.318 -18.655) 19.399 10.342 ( 10.215 5.678 8.315) 14.343 11.094 ( -17.442 2.573 -10.004) 20.271 11.676 ( 6.461 0.814 5.145) 8.299 11.996 ( -9.605 5.785 -1.336) 11.292 12.452 ( -6.014 9.079 0.847) 10.923 12.780 ( -8.384 10.123 -15.160) 20.065 13.837 ( 3.488 -0.629 1.999) 4.069 14.085 ( -2.349 -0.169 -5.192) 5.702 15.317 ( 3.253 -5.676 13.096) 14.639 15.521 ( 8.542 -1.896 -0.353) 8.757 ======================= Grid point 528 (270/306) ======================= q-point: (-0.10 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.677 3.391 10.002) 10.583 1.261 ( -1.244 2.978 -1.753) 3.673 1.467 ( -2.815 -0.114 6.798) 7.358 1.550 ( -0.034 0.331 -3.801) 3.815 1.599 ( 8.750 0.559 1.617) 8.915 1.741 ( -4.821 0.053 -9.071) 10.272 2.060 ( 0.867 -2.639 4.605) 5.378 2.110 ( -1.726 0.132 -0.104) 1.734 2.279 ( -0.706 -2.054 2.328) 3.184 2.351 ( 0.245 -4.514 -4.327) 6.258 2.434 ( 1.029 1.220 4.608) 4.876 2.512 ( 0.793 1.807 -3.179) 3.741 2.817 ( 8.521 -2.563 4.119) 9.805 2.899 ( -8.759 -2.603 -3.698) 9.858 3.057 ( 1.091 5.359 6.517) 8.508 3.216 ( -2.455 6.440 -8.600) 11.021 4.959 ( -2.654 -5.253 2.256) 6.303 4.989 ( 4.672 -4.001 -0.675) 6.188 9.033 ( -2.708 -3.703 18.122) 18.694 9.446 ( 0.123 -4.254 -21.969) 22.377 10.527 ( 9.638 3.061 11.746) 15.499 10.747 ( -12.418 5.809 -10.277) 17.134 11.796 ( 1.852 -1.071 5.018) 5.455 11.866 ( -1.189 1.134 -1.678) 2.348 12.308 ( -2.217 10.388 4.709) 11.619 12.474 ( -0.897 8.960 -12.164) 15.134 13.915 ( 3.628 -0.539 3.439) 5.028 14.000 ( -3.802 -0.434 -5.004) 6.299 15.481 ( -3.853 -3.936 8.616) 10.226 15.614 ( 8.194 -1.754 -4.643) 9.580 ======================= Grid point 531 (271/306) ======================= q-point: ( 0.20 0.20 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 3.567 0.000 -5.804) 6.812 1.081 ( 3.168 0.000 -9.785) 10.285 1.342 ( 7.089 0.000 -4.147) 8.213 1.560 ( -8.327 -0.000 0.144) 8.328 1.766 ( 3.454 0.000 4.823) 5.932 1.785 ( -2.812 -0.000 -1.573) 3.222 1.995 ( 0.296 0.000 3.375) 3.388 2.147 ( 2.076 0.000 -5.536) 5.913 2.167 ( -3.303 -0.000 3.450) 4.776 2.347 ( -0.339 -0.000 -4.511) 4.523 2.358 ( -3.878 -0.000 4.758) 6.138 2.590 ( 4.825 0.000 -3.579) 6.008 2.675 ( 3.332 0.000 1.102) 3.509 2.777 ( -4.656 -0.000 -0.975) 4.757 3.422 ( 1.266 0.000 7.234) 7.344 3.584 ( 12.349 0.000 1.882) 12.492 4.611 ( -12.751 -0.000 -4.301) 13.457 4.670 ( -8.643 -0.000 -1.723) 8.813 8.981 ( 4.257 0.000 -5.068) 6.619 9.659 ( -3.025 -0.000 -16.197) 16.477 10.012 ( -7.816 -0.000 32.704) 33.625 11.597 ( 2.871 0.000 0.054) 2.872 11.614 ( 4.559 0.000 3.249) 5.598 12.262 ( 6.985 0.000 -5.440) 8.853 12.733 ( 16.961 0.000 8.481) 18.964 13.265 ( 15.611 0.000 18.212) 23.987 13.878 ( 6.072 0.000 3.283) 6.902 14.121 ( -2.689 -0.000 4.369) 5.130 14.921 ( -13.413 -0.000 -12.550) 18.369 15.232 ( -5.425 -0.000 -15.894) 16.794 ======================= Grid point 532 (272/306) ======================= q-point: ( 0.30 0.20 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 5.096 2.158 -3.131) 6.358 1.087 ( 7.582 -2.525 -5.560) 9.735 1.380 ( 4.955 1.075 -2.777) 5.781 1.420 ( -9.439 0.501 -2.922) 9.894 1.785 ( 1.603 0.156 0.699) 1.756 1.843 ( 2.258 0.040 4.583) 5.110 2.020 ( -1.048 0.294 2.581) 2.801 2.110 ( 1.130 -0.668 -5.652) 5.803 2.172 ( -2.405 -0.744 3.377) 4.212 2.297 ( -1.116 0.701 -2.620) 2.933 2.361 ( -3.437 -0.443 3.321) 4.800 2.595 ( 3.836 1.390 -4.127) 5.804 2.695 ( -1.477 1.930 0.719) 2.535 2.788 ( 4.133 -3.968 1.352) 5.887 3.477 ( -0.324 -0.181 1.706) 1.746 3.725 ( 9.822 1.012 0.975) 9.923 4.392 ( -11.993 5.357 -0.669) 13.152 4.602 ( -7.190 -4.909 -0.602) 8.727 8.995 ( 5.761 2.521 -1.986) 6.595 9.466 ( -2.328 -1.532 -16.117) 16.356 10.249 ( -7.928 -0.585 31.125) 32.124 11.529 ( -1.326 7.202 -2.140) 7.629 11.745 ( 3.016 -8.369 -0.226) 8.899 12.281 ( 5.233 0.234 -4.535) 6.928 12.985 ( 11.217 2.928 8.845) 14.581 13.599 ( 9.895 -3.960 12.659) 16.548 14.034 ( 10.797 0.944 8.210) 13.597 14.127 ( -2.471 -0.115 3.777) 4.515 14.624 ( -10.601 2.573 -15.248) 18.749 15.024 ( -4.345 -1.680 -13.886) 14.647 ======================= Grid point 533 (273/306) ======================= q-point: ( 0.40 0.20 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 6.941 3.295 1.044) 7.754 1.179 ( 8.469 -3.145 -2.003) 9.254 1.273 ( -7.814 1.372 -0.447) 7.946 1.413 ( 4.479 1.791 -0.818) 4.893 1.793 ( 2.179 2.520 -0.861) 3.441 1.912 ( 0.866 -0.932 3.229) 3.470 2.011 ( -0.828 0.440 -0.796) 1.230 2.095 ( -1.037 -2.345 -0.762) 2.675 2.193 ( -1.619 -1.211 2.890) 3.527 2.255 ( -0.912 0.447 -1.507) 1.817 2.352 ( -3.104 -0.271 1.556) 3.482 2.563 ( 0.280 2.518 -1.947) 3.195 2.673 ( -0.546 -0.812 -1.197) 1.546 2.922 ( 8.794 -2.008 2.002) 9.240 3.436 ( -3.986 0.252 -5.260) 6.605 3.790 ( 3.765 3.511 0.852) 5.218 4.254 ( -4.149 2.732 3.429) 6.036 4.596 ( -5.483 -5.771 1.314) 8.068 8.979 ( 3.754 6.014 -4.274) 8.278 9.367 ( 1.659 -5.821 -9.272) 11.072 10.437 ( -8.821 1.056 25.059) 26.587 11.388 ( -6.624 2.026 -4.271) 8.138 11.845 ( 5.306 -0.952 -1.998) 5.749 12.301 ( 3.293 -3.490 -3.935) 6.206 13.059 ( 0.596 8.583 5.328) 10.120 13.808 ( 2.214 -5.813 0.753) 6.266 14.067 ( -3.574 3.595 0.922) 5.152 14.297 ( 1.868 -3.374 4.835) 6.185 14.347 ( 4.101 7.809 -3.913) 9.650 14.946 ( 2.163 -5.571 -5.909) 8.404 ======================= Grid point 534 (274/306) ======================= q-point: ( 0.50 0.20 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 9.332 4.498 2.933) 10.766 1.201 ( -3.067 2.109 3.631) 5.200 1.305 ( 6.090 -3.886 1.254) 7.332 1.436 ( 3.121 1.617 0.674) 3.579 1.765 ( 1.657 3.701 -1.743) 4.414 1.917 ( -2.039 1.339 -0.491) 2.488 1.994 ( -0.547 -0.391 -0.997) 1.202 2.114 ( -1.914 -1.789 2.560) 3.663 2.209 ( -1.566 -0.448 2.131) 2.683 2.256 ( 0.769 -1.441 0.445) 1.693 2.333 ( -1.660 -1.608 -0.902) 2.481 2.518 ( -2.047 1.849 0.300) 2.774 2.667 ( 1.204 -0.985 -3.365) 3.707 3.054 ( 6.399 -0.441 1.968) 6.710 3.290 ( -6.437 1.642 -7.095) 9.720 3.762 ( -0.523 4.849 0.798) 4.942 4.301 ( 5.235 -2.012 3.867) 6.812 4.626 ( -4.607 -5.721 2.856) 7.881 8.877 ( 0.189 5.111 -5.031) 7.174 9.432 ( 5.796 -7.069 -4.596) 10.231 10.498 ( -8.653 5.075 14.701) 17.798 11.274 ( -9.031 -4.375 -2.226) 10.278 11.840 ( 6.834 7.569 -4.179) 11.020 12.362 ( 0.461 -6.138 -1.152) 6.262 12.932 ( -6.657 10.680 0.770) 12.608 13.728 ( -8.342 1.715 -13.330) 15.818 13.957 ( -4.005 5.150 -2.116) 6.859 14.183 ( 0.798 1.743 -3.598) 4.076 14.610 ( 10.100 -2.130 16.367) 19.350 15.070 ( 8.235 -7.173 0.942) 10.961 ======================= Grid point 535 (275/306) ======================= q-point: (-0.40 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 4.126 3.696 0.519) 5.564 1.263 ( 6.149 3.716 9.982) 12.299 1.420 ( 1.353 -4.291 2.527) 5.161 1.463 ( 3.169 2.120 1.766) 4.202 1.717 ( 1.035 3.597 -2.460) 4.479 1.852 ( -2.155 2.153 -1.801) 3.539 1.977 ( -1.416 0.136 -0.432) 1.487 2.140 ( -0.682 -0.457 2.734) 2.855 2.217 ( -1.119 -0.568 1.180) 1.722 2.262 ( -0.834 -0.450 -1.401) 1.691 2.375 ( 2.289 -4.856 0.639) 5.406 2.481 ( -2.827 0.982 1.477) 3.337 2.652 ( 1.847 -0.489 -4.794) 5.161 3.037 ( -11.658 -4.059 -4.701) 13.209 3.212 ( 6.666 6.996 2.634) 10.015 3.690 ( -1.004 5.325 -2.099) 5.811 4.467 ( 8.958 -5.525 2.878) 10.911 4.676 ( -4.031 -5.871 3.859) 8.100 8.802 ( -0.949 2.202 0.335) 2.422 9.514 ( 4.306 -6.694 -9.370) 12.294 10.454 ( -3.774 7.196 8.899) 12.050 11.215 ( -10.693 -6.637 -1.914) 12.730 11.784 ( 8.045 10.056 -1.994) 13.032 12.364 ( -7.018 1.115 -0.495) 7.123 12.735 ( -5.538 7.628 -0.903) 9.470 13.403 ( -10.352 7.933 -15.405) 20.184 13.857 ( -0.688 4.269 -0.266) 4.333 14.149 ( -0.147 0.483 -3.562) 3.598 14.915 ( 7.201 -4.527 15.945) 18.072 15.268 ( 9.070 -6.429 1.226) 11.185 ======================= Grid point 536 (276/306) ======================= q-point: (-0.30 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 2.671 3.511 4.156) 6.061 1.375 ( 1.271 0.776 4.599) 4.834 1.469 ( -0.986 3.588 4.707) 6.000 1.503 ( 5.788 0.130 2.531) 6.318 1.655 ( 0.349 3.302 -3.585) 4.887 1.812 ( -0.436 -0.223 -1.602) 1.675 1.957 ( -0.723 0.319 0.810) 1.132 2.140 ( -1.913 0.081 -0.765) 2.062 2.230 ( 0.906 -1.261 0.157) 1.560 2.249 ( -0.556 -1.461 -1.311) 2.040 2.441 ( -1.531 0.840 3.558) 3.964 2.498 ( 2.967 -3.973 0.537) 4.988 2.636 ( 2.611 -1.216 -3.713) 4.699 2.899 ( -11.963 -5.430 -4.443) 13.869 3.237 ( 4.676 8.776 5.959) 11.593 3.567 ( -1.541 6.780 -5.591) 8.922 4.672 ( 7.828 -7.589 1.915) 11.070 4.745 ( -2.609 -6.453 3.449) 7.768 8.823 ( -1.026 -0.632 8.126) 8.215 9.472 ( 0.332 -5.595 -17.918) 18.775 10.479 ( 3.713 5.787 11.812) 13.667 11.095 ( -12.068 -2.285 -6.913) 14.094 11.781 ( 9.029 7.986 2.666) 12.345 12.166 ( -11.793 7.722 -2.368) 14.293 12.629 ( -1.747 6.347 1.942) 6.863 13.034 ( -8.486 10.655 -13.722) 19.335 13.845 ( 2.859 1.778 2.021) 3.926 14.087 ( -2.106 0.489 -4.919) 5.373 15.184 ( 2.433 -5.677 14.071) 15.367 15.435 ( 8.448 -5.342 -2.235) 10.242 ======================= Grid point 537 (277/306) ======================= q-point: (-0.20 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 2.018 3.068 7.618) 8.457 1.326 ( -5.180 1.666 -2.283) 5.901 1.482 ( -0.504 2.142 4.701) 5.191 1.580 ( 1.716 2.511 -5.167) 5.995 1.626 ( 7.986 1.919 5.414) 9.837 1.747 ( -5.219 0.577 -5.664) 7.723 2.001 ( 1.267 -1.826 4.825) 5.312 2.099 ( -1.910 -1.126 -3.285) 3.963 2.242 ( -1.401 -1.257 0.193) 1.892 2.267 ( 1.772 -2.196 -1.689) 3.288 2.453 ( -1.510 0.479 4.405) 4.681 2.536 ( 2.548 0.175 -3.797) 4.576 2.729 ( 7.632 -4.764 2.820) 9.428 2.800 ( -8.909 -5.359 -3.840) 11.083 3.234 ( 0.747 8.955 7.694) 11.830 3.393 ( -1.130 8.171 -7.868) 11.400 4.803 ( -5.567 -7.781 3.922) 10.340 4.862 ( 7.008 -6.554 -1.779) 9.759 8.951 ( -1.383 -2.726 15.923) 16.213 9.332 ( 0.616 -5.055 -21.367) 21.965 10.608 ( -0.347 3.303 15.220) 15.578 10.872 ( -4.122 4.189 -11.214) 12.661 11.845 ( 5.991 5.487 5.182) 9.636 11.941 ( -5.575 5.352 -3.737) 8.584 12.555 ( -1.803 10.056 5.613) 11.656 12.718 ( -0.809 11.076 -10.989) 15.624 13.907 ( 3.971 0.071 3.500) 5.293 13.996 ( -3.625 0.334 -5.272) 6.407 15.367 ( -4.049 -5.615 10.718) 12.759 15.542 ( 7.900 -4.427 -6.674) 11.249 ======================= Grid point 538 (278/306) ======================= q-point: (-0.10 0.20 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -4.208 2.202 -2.516) 5.375 1.316 ( 5.193 2.899 5.538) 8.127 1.456 ( -4.860 0.438 1.287) 5.047 1.546 ( -1.934 1.915 -2.662) 3.808 1.602 ( -0.659 0.795 -7.582) 7.652 1.746 ( 5.758 0.868 5.178) 7.793 2.059 ( -2.029 -1.762 -3.737) 4.603 2.088 ( 0.535 -1.957 4.829) 5.238 2.240 ( -3.473 -2.081 0.758) 4.119 2.294 ( 1.397 -1.905 -1.268) 2.681 2.466 ( -1.367 0.034 1.044) 1.720 2.527 ( 3.500 1.018 -2.390) 4.359 2.732 ( -5.847 -3.942 -3.465) 7.857 2.932 ( 10.775 -4.339 4.432) 12.432 3.155 ( -5.840 7.096 -1.811) 9.367 3.267 ( 4.167 8.597 2.799) 9.956 4.840 ( -7.757 -7.388 1.148) 10.773 4.959 ( 2.323 -4.538 -3.222) 6.031 9.117 ( -4.968 -4.698 5.486) 8.766 9.244 ( 5.649 -3.647 -3.372) 7.522 10.469 ( -19.206 4.766 -1.946) 19.883 10.922 ( 18.740 4.070 5.928) 20.072 11.759 ( -7.082 1.984 -1.929) 7.603 11.966 ( 10.664 3.140 1.188) 11.180 12.452 ( -1.239 9.081 3.223) 9.716 12.599 ( 11.269 12.130 0.228) 16.558 13.898 ( -4.482 -0.473 -4.182) 6.148 13.991 ( 3.180 -0.020 4.110) 5.197 15.423 ( -8.870 -4.335 4.001) 10.652 15.589 ( 4.975 -3.729 -8.730) 10.718 ======================= Grid point 542 (279/306) ======================= q-point: ( 0.30 0.30 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 6.597 0.000 0.713) 6.635 1.134 ( 9.576 0.000 -2.217) 9.829 1.290 ( -8.237 -0.000 -0.035) 8.237 1.441 ( 7.571 0.000 -3.565) 8.368 1.816 ( 1.658 0.000 1.465) 2.212 1.905 ( 1.477 0.000 3.114) 3.446 2.028 ( -2.666 -0.000 2.967) 3.988 2.055 ( 0.572 0.000 -6.031) 6.058 2.174 ( -2.737 -0.000 4.031) 4.872 2.261 ( -1.158 -0.000 -2.167) 2.457 2.349 ( -3.484 -0.000 2.466) 4.269 2.608 ( 4.542 0.000 -5.074) 6.810 2.653 ( -6.464 -0.000 1.499) 6.635 2.892 ( 11.060 0.000 2.263) 11.289 3.438 ( -3.176 -0.000 -5.410) 6.274 3.838 ( 7.314 0.000 -0.318) 7.321 4.313 ( -10.940 -0.000 5.530) 12.258 4.500 ( -4.226 -0.000 0.432) 4.248 9.086 ( 7.547 0.000 0.404) 7.558 9.261 ( -1.446 -0.000 -16.702) 16.764 10.451 ( -10.349 -0.000 30.173) 31.899 11.437 ( -9.715 -0.000 -10.031) 13.964 11.788 ( 9.192 0.000 4.393) 10.187 12.287 ( 3.444 0.000 -5.253) 6.281 13.169 ( 3.302 0.000 4.131) 5.289 13.723 ( 2.309 0.000 3.716) 4.375 14.126 ( -2.607 -0.000 3.383) 4.271 14.241 ( 1.456 0.000 3.474) 3.766 14.462 ( 4.316 0.000 -2.048) 4.777 14.858 ( 1.186 0.000 -10.943) 11.007 ======================= Grid point 543 (280/306) ======================= q-point: ( 0.40 0.30 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 7.309 0.762 -0.661) 7.378 1.239 ( 5.684 -0.651 1.658) 5.957 1.249 ( 0.531 0.672 5.588) 5.653 1.481 ( 6.370 1.542 -2.738) 7.102 1.837 ( 2.207 1.995 -0.283) 2.989 1.939 ( -0.804 0.391 2.296) 2.464 1.993 ( -0.473 0.893 -2.278) 2.492 2.048 ( -1.813 -3.178 1.397) 3.917 2.189 ( -2.579 -0.899 3.900) 4.761 2.234 ( -0.592 -0.249 -1.046) 1.227 2.324 ( -3.599 0.132 0.672) 3.664 2.571 ( -2.522 2.554 -0.139) 3.592 2.630 ( 0.659 -2.118 -2.967) 3.705 3.029 ( 4.761 -0.901 1.228) 4.998 3.323 ( 0.524 0.791 -9.250) 9.298 3.870 ( 2.001 3.385 -0.440) 3.956 4.283 ( -4.669 0.078 8.262) 9.490 4.501 ( -2.373 -3.947 1.580) 4.869 9.031 ( 1.445 7.528 -9.270) 12.029 9.249 ( 5.733 -8.177 -4.606) 10.997 10.589 ( -12.472 2.254 25.580) 28.547 11.213 ( -9.060 -1.071 -10.663) 14.033 11.950 ( 9.217 1.567 4.626) 10.431 12.271 ( 3.088 -1.262 -4.987) 6.000 13.123 ( -5.943 4.895 -2.758) 8.179 13.714 ( -5.300 -1.525 -5.966) 8.125 14.083 ( -3.252 5.344 0.220) 6.259 14.190 ( -1.896 -2.180 -3.685) 4.683 14.633 ( 10.103 3.849 12.759) 16.723 14.890 ( 8.625 -7.142 -2.489) 11.472 ======================= Grid point 544 (281/306) ======================= q-point: ( 0.50 0.30 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 3.194 0.632 -0.886) 3.374 1.336 ( 2.259 -1.214 2.390) 3.506 1.362 ( 8.584 2.428 8.676) 12.444 1.510 ( 5.905 1.908 -0.874) 6.267 1.814 ( 2.131 4.350 -1.498) 5.070 1.905 ( -3.044 2.125 0.052) 3.713 1.976 ( -0.450 -0.022 -0.532) 0.697 2.102 ( 0.057 -3.116 2.934) 4.280 2.204 ( -2.850 -0.669 3.100) 4.264 2.246 ( 0.324 -1.996 0.386) 2.059 2.283 ( -1.969 -1.032 -1.387) 2.621 2.516 ( -3.830 1.825 1.867) 4.635 2.630 ( 2.384 -1.363 -4.922) 5.637 2.958 ( -12.938 -2.524 -5.825) 14.411 3.342 ( 13.602 3.805 -1.720) 14.228 3.812 ( -1.917 5.071 -0.428) 5.439 4.363 ( 1.233 -3.617 6.481) 7.523 4.547 ( -1.923 -4.649 2.171) 5.480 8.893 ( 0.989 5.201 -5.039) 7.309 9.348 ( 4.366 -7.268 -7.482) 11.308 10.611 ( -10.697 5.886 16.859) 20.816 11.077 ( -6.983 -4.955 -5.165) 10.000 12.011 ( 8.375 8.728 0.157) 12.097 12.317 ( 0.906 -3.758 1.366) 4.100 12.920 ( -7.114 6.974 -5.645) 11.450 13.521 ( -9.858 2.224 -12.143) 15.798 13.986 ( -1.683 6.334 0.806) 6.603 14.165 ( -0.402 0.214 -2.689) 2.727 14.844 ( 7.132 -0.829 13.147) 14.980 15.094 ( 9.478 -8.198 0.813) 12.558 ======================= Grid point 545 (282/306) ======================= q-point: ( 0.60 0.30 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 3.168 1.305 1.260) 3.651 1.360 ( -2.487 -1.448 0.206) 2.885 1.515 ( 8.123 2.155 6.367) 10.543 1.559 ( 3.822 2.350 3.308) 5.575 1.765 ( 2.748 5.732 -2.032) 6.674 1.842 ( -2.214 2.380 -0.687) 3.323 1.968 ( 0.019 0.591 0.660) 0.886 2.143 ( -2.107 -0.017 0.655) 2.206 2.197 ( -1.779 -1.194 1.101) 2.409 2.236 ( -0.497 -0.225 -0.736) 0.916 2.359 ( 4.346 -6.252 1.552) 7.770 2.476 ( -3.883 1.241 2.784) 4.937 2.616 ( 2.383 -0.844 -5.735) 6.268 2.778 ( -13.054 -4.708 -5.590) 14.961 3.427 ( 9.488 7.089 2.779) 12.165 3.709 ( -2.531 5.342 -3.105) 6.678 4.503 ( 1.483 -6.756 5.285) 8.705 4.607 ( 0.121 -5.064 0.965) 5.156 8.848 ( 1.342 2.650 2.847) 4.114 9.341 ( 0.239 -5.736 -14.433) 15.533 10.604 ( -4.731 4.955 14.556) 16.087 11.017 ( -5.806 -3.839 -4.448) 8.260 12.001 ( 9.605 9.919 0.322) 13.811 12.302 ( -8.942 3.237 0.761) 9.540 12.764 ( 0.774 5.620 -0.658) 5.711 13.229 ( -9.415 5.625 -13.181) 17.147 13.927 ( 0.402 5.107 2.650) 5.768 14.112 ( -0.972 1.576 -4.136) 4.531 15.063 ( 2.021 -4.388 12.852) 13.730 15.284 ( 8.662 -7.412 -2.448) 11.660 ======================= Grid point 546 (283/306) ======================= q-point: (-0.30 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 1.799 1.131 3.998) 4.527 1.325 ( -4.625 -1.104 -1.795) 5.083 1.569 ( 0.222 4.340 4.058) 5.946 1.620 ( 2.430 0.506 0.876) 2.632 1.722 ( 5.233 6.038 0.414) 8.000 1.775 ( -3.401 2.150 -3.013) 5.027 1.990 ( 2.246 0.894 3.443) 4.207 2.077 ( -3.319 -0.216 -3.956) 5.169 2.225 ( -0.595 -0.482 0.363) 0.847 2.231 ( 0.945 -1.173 0.142) 1.513 2.457 ( -3.272 -0.205 3.197) 4.579 2.502 ( 4.839 -3.663 -0.352) 6.080 2.620 ( 3.012 -4.207 -0.692) 5.220 2.674 ( -5.906 -4.723 -4.226) 8.663 3.443 ( 0.576 8.603 6.117) 10.572 3.571 ( 0.363 6.852 -6.619) 9.534 4.619 ( -6.589 -7.770 5.714) 11.681 4.706 ( 7.173 -6.459 -2.811) 10.054 8.920 ( 1.034 0.023 11.368) 11.415 9.223 ( -0.403 -4.317 -18.381) 18.885 10.665 ( -8.848 1.639 16.998) 19.233 10.933 ( 3.292 1.325 -9.483) 10.125 12.027 ( 10.482 9.254 2.980) 14.297 12.094 ( -10.427 7.173 -2.886) 12.981 12.753 ( 0.313 7.003 6.956) 9.875 12.943 ( -2.281 7.540 -12.111) 14.448 13.932 ( 1.688 2.347 4.004) 4.939 14.026 ( -1.326 2.391 -5.228) 5.900 15.231 ( -4.644 -5.994 10.966) 13.332 15.414 ( 8.259 -6.432 -7.253) 12.736 ======================= Grid point 547 (284/306) ======================= q-point: (-0.20 -0.70 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -5.338 0.861 -2.948) 6.159 1.319 ( 0.197 -0.640 6.523) 6.557 1.535 ( -2.228 4.441 1.164) 5.103 1.601 ( 0.168 2.316 -4.710) 5.251 1.638 ( -3.159 2.469 -4.941) 6.363 1.766 ( 3.792 1.599 3.222) 5.227 2.020 ( -0.971 -1.022 -4.205) 4.435 2.062 ( 2.394 0.090 5.528) 6.024 2.216 ( -1.917 -0.216 1.093) 2.217 2.260 ( 1.892 -1.263 -1.555) 2.755 2.459 ( -2.757 -0.781 2.310) 3.681 2.526 ( 0.746 -1.659 -2.796) 3.336 2.633 ( -2.309 -3.572 -2.919) 5.159 2.811 ( 10.959 -5.848 4.227) 13.121 3.328 ( -8.116 7.195 -0.754) 10.872 3.480 ( 5.224 9.350 0.498) 10.722 4.659 ( -8.920 -7.715 2.799) 12.121 4.827 ( 5.284 -6.528 -4.004) 9.304 9.028 ( -4.311 -2.976 -0.310) 5.247 9.158 ( 6.696 -3.275 0.418) 7.465 10.574 ( -19.081 3.824 4.867) 20.060 10.991 ( 16.380 1.810 0.955) 16.508 11.857 ( -8.669 6.442 -3.620) 11.391 12.106 ( 12.442 8.030 3.365) 15.186 12.651 ( -6.215 7.290 1.141) 9.648 12.863 ( 12.083 10.159 1.506) 15.858 13.907 ( -3.951 1.544 -3.498) 5.498 14.002 ( 3.839 1.213 2.975) 5.006 15.301 ( -9.460 -6.055 5.248) 12.397 15.480 ( 5.600 -5.528 -9.518) 12.349 ======================= Grid point 548 (285/306) ======================= q-point: (-0.10 0.30 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -3.541 1.821 -4.498) 6.007 1.389 ( -3.687 -2.225 -0.279) 4.315 1.426 ( -7.495 1.548 -2.875) 8.175 1.477 ( 3.821 4.714 -0.430) 6.084 1.637 ( 3.579 0.799 -0.587) 3.714 1.813 ( 0.371 -1.112 1.286) 1.740 1.986 ( 0.237 -0.029 -2.923) 2.933 2.135 ( 1.425 0.109 4.236) 4.471 2.208 ( -2.417 0.026 1.845) 3.041 2.274 ( 0.703 -1.558 -1.585) 2.331 2.449 ( -1.873 -0.311 -0.274) 1.918 2.530 ( 0.286 -1.976 -1.829) 2.708 2.634 ( 0.454 -1.802 -1.415) 2.335 3.054 ( 11.072 -4.776 4.409) 12.839 3.131 ( -6.031 6.607 -3.478) 9.598 3.457 ( 3.636 8.135 4.827) 10.134 4.645 ( -10.724 -7.544 -0.320) 13.116 4.886 ( 1.139 -4.265 -4.560) 6.347 8.962 ( 0.055 -4.011 -10.636) 11.367 9.375 ( 3.427 -4.093 16.308) 17.160 10.318 ( -15.598 7.492 0.160) 17.305 11.219 ( 16.153 -0.051 6.683) 17.481 11.675 ( -5.764 2.742 -4.792) 7.981 12.184 ( 11.572 7.978 2.319) 14.245 12.574 ( 1.979 5.108 3.609) 6.560 12.935 ( 14.562 11.692 6.885) 19.904 13.819 ( -2.756 0.731 -2.393) 3.722 14.065 ( 2.070 0.424 3.833) 4.376 15.255 ( -11.124 -5.089 -3.129) 12.626 15.478 ( 0.105 -4.527 -9.474) 10.501 ======================= Grid point 553 (286/306) ======================= q-point: ( 0.40 0.40 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 3.489 0.000 -1.105) 3.660 1.312 ( 2.890 0.000 2.175) 3.617 1.402 ( 7.783 0.000 9.302) 12.129 1.536 ( 7.052 0.000 -3.246) 7.763 1.880 ( 3.126 0.000 -0.828) 3.233 1.933 ( -2.887 -0.000 0.457) 2.923 2.003 ( 3.323 0.000 -1.027) 3.478 2.015 ( -2.413 -0.000 3.195) 4.003 2.191 ( -3.443 -0.000 4.340) 5.540 2.220 ( -0.374 -0.000 -0.125) 0.394 2.282 ( -3.705 -0.000 -0.433) 3.731 2.547 ( -6.452 -0.000 3.367) 7.278 2.605 ( 4.912 0.000 -6.323) 8.006 2.928 ( -13.363 -0.000 -6.233) 14.745 3.385 ( 16.831 0.000 -3.919) 17.282 3.885 ( -1.779 -0.000 -1.444) 2.291 4.312 ( -6.038 -0.000 11.167) 12.695 4.490 ( 2.087 0.000 -0.048) 2.088 8.983 ( 1.706 0.000 -9.944) 10.089 9.234 ( 4.462 0.000 -3.782) 5.850 10.690 ( -15.997 -0.000 24.126) 28.948 11.011 ( -3.238 -0.000 -11.243) 11.700 12.141 ( 7.429 0.000 8.902) 11.595 12.246 ( 4.480 0.000 -5.844) 7.364 13.008 ( -6.669 -0.000 -8.215) 10.581 13.537 ( -10.438 -0.000 -9.212) 13.922 14.118 ( -4.017 -0.000 2.851) 4.926 14.120 ( 1.316 0.000 -2.864) 3.152 14.881 ( 4.360 0.000 12.665) 13.395 14.944 ( 12.916 0.000 -1.555) 13.010 ======================= Grid point 554 (287/306) ======================= q-point: ( 0.50 0.40 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 4.278 0.312 0.115) 4.291 1.334 ( -2.830 -0.627 1.197) 3.136 1.559 ( 5.312 1.183 6.498) 8.476 1.593 ( 6.849 0.642 -0.698) 6.915 1.884 ( 3.537 3.254 -1.603) 5.067 1.896 ( -2.989 1.630 0.715) 3.479 2.000 ( 3.130 3.084 1.480) 4.637 2.104 ( 2.719 -3.990 2.743) 5.553 2.181 ( -5.425 -0.346 2.709) 6.073 2.231 ( -0.086 -1.185 0.442) 1.267 2.248 ( 0.177 -1.306 -0.222) 1.337 2.507 ( -5.270 1.098 3.557) 6.452 2.594 ( 2.520 -0.931 -7.411) 7.883 2.697 ( -13.485 -1.954 -6.615) 15.147 3.543 ( 15.738 2.623 -1.535) 16.029 3.806 ( -5.810 2.655 -1.488) 6.558 4.377 ( -4.443 -3.413 9.767) 11.260 4.526 ( 3.355 -1.766 -1.561) 4.100 8.924 ( 3.449 2.929 -3.197) 5.540 9.221 ( -0.226 -3.834 -9.420) 10.172 10.698 ( -15.304 2.686 19.234) 24.726 10.939 ( 2.663 -2.339 -6.854) 7.717 12.202 ( 6.848 6.881 0.321) 9.713 12.310 ( -1.263 -2.249 3.657) 4.475 12.873 ( 1.621 2.990 -5.728) 6.662 13.296 ( -12.406 0.844 -10.654) 16.375 14.056 ( -1.671 5.132 2.301) 5.867 14.133 ( 0.076 -0.639 -2.072) 2.169 15.008 ( 1.264 0.062 9.843) 9.924 15.119 ( 10.141 -5.817 -1.574) 11.796 ======================= Grid point 555 (288/306) ======================= q-point: (-0.40 -0.60 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.600 0.675 1.559) 1.801 1.301 ( -2.435 -0.728 -0.146) 2.546 1.620 ( -2.055 -0.245 2.740) 3.433 1.643 ( 4.133 1.841 0.348) 4.538 1.837 ( -3.174 3.405 0.444) 4.676 1.865 ( 3.926 4.615 -1.737) 6.303 2.041 ( 5.554 3.393 2.940) 7.142 2.092 ( -5.508 1.143 -1.581) 5.844 2.199 ( 0.719 -1.054 2.252) 2.588 2.227 ( -0.156 0.278 -0.379) 0.495 2.369 ( 7.084 -6.319 2.610) 9.845 2.442 ( -7.726 -2.201 -2.842) 8.522 2.527 ( -5.071 -2.873 1.543) 6.029 2.618 ( 2.930 -0.795 -5.437) 6.227 3.616 ( -0.123 6.118 2.681) 6.681 3.693 ( 2.371 3.307 -4.873) 6.348 4.463 ( -5.736 -5.260 7.864) 11.064 4.581 ( 5.482 -4.014 -3.780) 7.775 8.945 ( 3.436 1.896 5.003) 6.358 9.132 ( -1.711 -3.523 -13.256) 13.822 10.688 ( -15.858 0.492 18.049) 24.031 10.949 ( 9.300 0.296 -7.820) 12.155 12.216 ( 2.630 5.643 1.972) 6.530 12.248 ( -2.047 6.025 -1.297) 6.494 12.885 ( 4.301 4.524 4.613) 7.762 13.045 ( -6.448 1.355 -11.234) 13.024 14.014 ( -1.546 4.224 3.922) 5.968 14.095 ( 1.333 2.904 -3.975) 5.101 15.107 ( -4.985 -4.136 8.976) 11.069 15.261 ( 8.934 -6.163 -6.284) 12.542 ======================= Grid point 556 (289/306) ======================= q-point: (-0.30 -0.60 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -6.240 -0.862 0.104) 6.300 1.329 ( 1.385 0.926 2.687) 3.162 1.585 ( -4.900 -0.548 -1.381) 5.121 1.636 ( -1.782 1.691 -2.291) 3.359 1.736 ( -4.805 5.518 -0.062) 7.317 1.844 ( 4.260 4.365 -0.786) 6.150 2.007 ( -1.837 -0.060 -2.551) 3.144 2.104 ( 5.083 3.226 3.912) 7.180 2.213 ( -0.300 -0.543 -0.871) 1.069 2.235 ( 1.150 -0.561 0.088) 1.283 2.390 ( -5.489 -5.703 -1.640) 8.083 2.472 ( -1.822 -1.537 2.687) 3.592 2.596 ( 4.436 -0.545 -2.398) 5.072 2.678 ( 10.647 -5.171 3.437) 12.325 3.467 ( -11.348 4.590 -0.663) 12.260 3.681 ( 7.204 7.636 -1.236) 10.570 4.505 ( -7.916 -5.157 4.476) 10.454 4.673 ( 6.243 -6.464 -4.618) 10.104 8.977 ( -4.014 -1.486 -5.166) 6.709 9.101 ( 6.451 -1.669 3.707) 7.625 10.639 ( -17.173 1.903 12.120) 21.105 11.015 ( 14.620 0.500 -4.895) 15.426 12.032 ( -9.539 7.858 -2.349) 12.581 12.293 ( 12.480 7.241 1.960) 14.561 12.771 ( -10.810 3.178 -0.902) 11.303 13.051 ( 13.093 5.840 3.207) 14.691 13.971 ( -3.181 3.735 0.129) 4.908 14.056 ( 3.917 3.416 -0.277) 5.205 15.155 ( -9.672 -6.192 5.221) 12.615 15.341 ( 6.045 -6.187 -9.552) 12.887 ======================= Grid point 557 (290/306) ======================= q-point: (-0.20 -0.60 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -5.639 0.330 -0.827) 5.709 1.352 ( -2.454 0.044 3.775) 4.503 1.477 ( -7.124 2.061 -6.525) 9.878 1.524 ( -4.364 -1.035 -4.377) 6.266 1.672 ( 0.099 3.533 1.752) 3.945 1.844 ( 3.932 3.348 -0.240) 5.170 1.988 ( 0.731 -0.220 -1.404) 1.598 2.161 ( 3.437 2.144 3.222) 5.176 2.213 ( 0.084 0.098 0.627) 0.640 2.245 ( 0.664 -0.805 -1.597) 1.907 2.389 ( -4.229 -5.290 -0.699) 6.809 2.486 ( -1.041 -0.675 1.587) 2.015 2.618 ( 3.963 0.001 -2.115) 4.492 2.935 ( 12.934 -5.155 5.252) 14.881 3.266 ( -10.811 4.558 -2.191) 11.936 3.651 ( 4.137 8.238 0.995) 9.271 4.491 ( -9.385 -5.248 1.015) 10.800 4.763 ( 4.240 -6.121 -4.776) 8.846 8.891 ( -0.846 -1.895 -7.902) 8.170 9.283 ( 3.611 -3.813 11.467) 12.613 10.495 ( -12.689 7.425 5.987) 15.873 11.178 ( 14.139 -2.902 0.807) 14.456 11.806 ( -7.884 8.077 -3.369) 11.778 12.365 ( 10.008 5.984 0.312) 11.665 12.669 ( -2.119 3.525 4.428) 6.043 13.175 ( 13.615 8.664 7.091) 17.627 13.878 ( -1.665 4.340 -1.942) 5.038 14.084 ( 2.662 1.441 2.528) 3.943 15.122 ( -11.299 -6.166 -1.876) 13.007 15.354 ( 0.614 -6.093 -9.861) 11.608 ======================= Grid point 558 (291/306) ======================= q-point: (-0.10 -0.60 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -4.842 1.873 -3.617) 6.328 1.284 ( -1.991 1.687 -7.964) 8.380 1.382 ( -5.379 0.077 3.771) 6.569 1.476 ( -3.106 -4.768 -3.137) 6.498 1.659 ( -0.290 1.623 1.458) 2.201 1.851 ( 4.209 3.259 -0.105) 5.325 1.991 ( 1.027 0.247 -0.192) 1.073 2.188 ( 2.718 0.926 -1.166) 3.099 2.214 ( -0.534 1.443 0.583) 1.645 2.253 ( -0.323 -1.136 1.423) 1.850 2.391 ( -3.699 -3.398 0.068) 5.023 2.500 ( 0.486 -1.040 0.129) 1.156 2.644 ( 3.004 0.188 -1.009) 3.175 3.063 ( -7.557 3.114 -1.870) 8.385 3.201 ( 10.897 -3.063 4.447) 12.162 3.620 ( 3.108 6.673 2.384) 7.737 4.431 ( -10.553 -5.206 -1.621) 11.878 4.808 ( 1.216 -3.647 -4.171) 5.672 8.853 ( 1.802 -2.244 -5.755) 6.434 9.467 ( -0.719 -6.167 8.855) 10.815 10.324 ( -7.472 11.330 6.679) 15.126 11.415 ( 13.554 -5.476 3.656) 15.069 11.608 ( -5.911 5.766 -3.529) 8.980 12.405 ( 6.759 4.129 1.523) 8.066 12.693 ( 3.849 4.717 4.386) 7.504 13.317 ( 14.623 9.353 10.179) 20.123 13.824 ( 1.864 3.038 0.521) 3.603 14.118 ( 0.464 0.530 2.382) 2.484 14.995 ( -11.542 -5.178 -9.865) 16.042 15.303 ( -4.544 -5.265 -8.669) 11.114 ======================= Grid point 564 (292/306) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -5.896 -0.000 0.777) 5.946 1.294 ( 4.611 0.000 0.579) 4.647 1.616 ( -3.960 -0.000 3.145) 5.056 1.662 ( 5.561 0.000 -1.370) 5.727 1.882 ( -3.019 -0.000 1.432) 3.342 1.921 ( 3.218 0.000 -2.083) 3.833 2.105 ( -5.296 -0.000 0.924) 5.376 2.108 ( 5.547 0.000 0.363) 5.559 2.199 ( 2.744 0.000 6.111) 6.699 2.230 ( 0.153 0.000 0.943) 0.955 2.263 ( 7.259 0.000 1.564) 7.426 2.395 ( -12.414 -0.000 -9.312) 15.518 2.502 ( -4.143 -0.000 5.135) 6.598 2.610 ( 4.100 0.000 -5.628) 6.963 3.707 ( -10.959 -0.000 -1.309) 11.037 3.716 ( 13.740 0.000 -2.126) 13.904 4.398 ( -4.879 -0.000 9.203) 10.416 4.533 ( 4.295 0.000 -4.254) 6.045 8.980 ( 5.909 0.000 0.396) 5.922 9.079 ( -3.737 -0.000 -9.123) 9.858 10.693 ( -18.638 -0.000 18.494) 26.257 10.952 ( 11.600 0.000 -7.310) 13.711 12.278 ( -8.326 -0.000 3.548) 9.051 12.329 ( 9.613 0.000 -1.964) 9.812 12.949 ( 11.943 0.000 0.919) 11.978 13.043 ( -14.719 -0.000 -8.498) 16.997 14.079 ( -3.750 -0.000 2.821) 4.692 14.130 ( 3.084 0.000 -2.048) 3.702 15.059 ( -5.410 -0.000 6.611) 8.542 15.176 ( 9.822 0.000 -4.906) 10.979 ======================= Grid point 565 (293/306) ======================= q-point: (-0.40 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -6.882 -0.171 1.154) 6.980 1.346 ( 3.345 0.435 0.694) 3.444 1.565 ( -7.907 -0.606 0.822) 7.973 1.668 ( -1.080 0.798 -3.352) 3.611 1.845 ( -3.777 2.886 1.862) 5.105 1.925 ( 3.118 1.884 -1.892) 4.104 2.027 ( -4.989 1.996 -0.816) 5.435 2.163 ( 3.432 -0.418 -1.378) 3.722 2.200 ( -0.744 1.217 0.451) 1.496 2.240 ( 1.464 0.585 -0.258) 1.597 2.258 ( -3.717 -4.280 -2.426) 6.166 2.438 ( 2.573 -1.383 5.628) 6.341 2.566 ( 8.307 -1.665 6.037) 10.403 2.612 ( 5.556 -0.510 -4.840) 7.386 3.536 ( -14.331 1.418 -0.959) 14.432 3.812 ( 9.147 3.167 -2.097) 9.904 4.432 ( -5.082 -1.212 6.473) 8.318 4.550 ( 4.865 -3.417 -5.884) 8.364 8.956 ( -4.068 -0.416 -6.007) 7.267 9.077 ( 6.079 -0.509 3.563) 7.065 10.667 ( -15.733 0.555 17.155) 23.284 11.022 ( 13.946 0.118 -8.891) 16.539 12.178 ( -8.699 3.817 1.226) 9.579 12.409 ( 10.162 2.471 -3.266) 10.957 12.812 ( -12.695 0.724 -1.563) 12.811 13.134 ( 14.039 1.586 5.292) 15.087 14.052 ( -3.206 2.387 2.695) 4.821 14.135 ( 3.877 2.443 -2.125) 5.051 15.041 ( -9.303 -2.951 3.810) 10.477 15.221 ( 5.980 -3.296 -8.810) 11.146 ======================= Grid point 566 (294/306) ======================= q-point: (-0.30 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -6.776 -0.348 1.981) 7.068 1.369 ( 0.358 0.563 0.480) 0.822 1.473 ( -9.135 -0.850 -1.231) 9.257 1.542 ( -7.474 1.871 -6.499) 10.080 1.776 ( -2.876 4.633 2.396) 5.956 1.922 ( 3.724 2.607 -1.296) 4.727 1.978 ( -0.716 -0.203 -0.583) 0.945 2.175 ( 2.040 -2.947 -3.985) 5.359 2.224 ( 1.509 1.603 2.803) 3.565 2.250 ( 2.469 0.736 -0.988) 2.760 2.265 ( -1.660 -3.451 -0.226) 3.836 2.480 ( -2.288 -0.113 4.540) 5.085 2.621 ( 5.227 0.171 -3.586) 6.341 2.830 ( 14.423 -3.581 6.614) 16.266 3.335 ( -15.239 1.493 -0.786) 15.332 3.819 ( 4.790 5.785 -1.597) 7.678 4.420 ( -5.751 -0.678 1.878) 6.088 4.614 ( 4.964 -6.414 -4.994) 9.525 8.874 ( -2.140 0.157 -3.357) 3.984 9.202 ( 3.012 -3.030 6.043) 7.401 10.647 ( -8.901 5.330 13.515) 17.038 11.107 ( 13.012 -2.846 -7.261) 15.170 12.011 ( -8.163 8.699 -0.409) 11.936 12.409 ( 0.201 -1.869 -7.089) 7.334 12.762 ( 2.070 4.133 8.955) 10.077 13.324 ( 13.262 4.129 7.253) 15.670 13.996 ( -1.878 4.908 0.597) 5.288 14.135 ( 3.416 2.657 -0.180) 4.331 14.986 ( -11.646 -5.061 -0.018) 12.698 15.211 ( 0.990 -5.577 -11.455) 12.779 ======================= Grid point 567 (295/306) ======================= q-point: (-0.20 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -7.159 0.601 1.536) 7.347 1.325 ( -4.517 2.449 -4.966) 7.146 1.361 ( -5.079 -3.933 -3.543) 7.336 1.407 ( -6.024 1.202 0.232) 6.147 1.726 ( -1.627 3.641 2.193) 4.551 1.927 ( 4.314 2.778 -0.998) 5.227 1.980 ( -0.385 -1.097 0.276) 1.194 2.193 ( 3.998 -1.196 -4.792) 6.354 2.237 ( -0.169 -0.000 0.241) 0.295 2.253 ( -1.071 -0.100 0.623) 1.243 2.297 ( 0.583 -1.718 1.836) 2.581 2.495 ( -1.058 0.149 2.561) 2.775 2.649 ( 4.355 0.194 -1.874) 4.745 3.062 ( 2.886 -2.299 1.950) 4.174 3.175 ( -3.367 0.175 3.384) 4.777 3.774 ( 2.253 6.191 -0.998) 6.663 4.360 ( -6.391 -0.680 -0.971) 6.500 4.695 ( 3.920 -5.963 -4.181) 8.271 8.835 ( 0.329 0.761 -1.241) 1.493 9.324 ( -1.621 -6.137 5.623) 8.480 10.590 ( -2.189 11.398 7.283) 13.702 11.265 ( 11.975 -6.910 -1.696) 13.929 11.798 ( -8.079 9.612 -0.616) 12.571 12.377 ( -2.567 -5.096 -2.880) 6.391 12.859 ( 8.318 7.911 8.155) 14.081 13.494 ( 12.292 5.622 8.781) 16.118 13.929 ( 1.211 5.569 0.704) 5.742 14.143 ( 1.208 1.726 0.868) 2.278 14.875 ( -11.519 -4.865 -7.272) 14.465 15.155 ( -4.474 -7.229 -9.700) 12.898 ======================= Grid point 568 (296/306) ======================= q-point: (-0.10 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -6.547 2.073 -3.009) 7.497 1.241 ( -1.466 -0.465 -2.497) 2.933 1.303 ( -4.142 -2.629 -3.802) 6.207 1.375 ( -4.043 -1.112 3.585) 5.517 1.693 ( -1.233 2.450 1.629) 3.190 1.934 ( 3.726 2.399 -1.066) 4.557 1.995 ( -0.266 -1.001 0.807) 1.313 2.199 ( 4.068 -0.129 -4.812) 6.303 2.226 ( 0.022 1.548 -0.471) 1.618 2.245 ( -3.398 -1.760 1.285) 4.037 2.343 ( 0.197 -1.038 2.659) 2.861 2.505 ( -0.119 -0.051 0.949) 0.958 2.672 ( 2.820 0.572 -1.356) 3.181 2.976 ( -7.774 -0.044 -0.629) 7.800 3.336 ( 8.557 -1.970 5.060) 10.135 3.723 ( 1.189 4.416 -0.388) 4.589 4.278 ( -5.568 -0.389 -2.103) 5.964 4.750 ( 1.834 -3.440 -2.817) 4.809 8.834 ( 1.870 0.345 -0.641) 2.007 9.413 ( -3.993 -6.852 3.654) 8.732 10.493 ( -0.340 12.197 4.649) 13.057 11.467 ( 8.881 -6.267 -3.656) 11.467 11.631 ( -3.976 6.377 4.692) 8.859 12.421 ( -1.358 -7.402 1.844) 7.748 12.875 ( 4.315 11.001 0.845) 11.847 13.675 ( 12.185 5.005 12.207) 17.959 13.933 ( 6.009 3.965 2.877) 7.753 14.131 ( -1.901 0.969 0.376) 2.166 14.683 ( -11.335 -4.261 -14.653) 19.009 15.096 ( -5.915 -6.374 -5.362) 10.216 ======================= Grid point 575 (297/306) ======================= q-point: (-0.40 -0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -7.100 -0.000 2.448) 7.510 1.371 ( 0.764 0.000 -2.548) 2.660 1.468 ( -10.005 -0.000 2.973) 10.437 1.567 ( -7.014 -0.000 -6.970) 9.888 1.843 ( -3.516 -0.000 2.355) 4.232 1.939 ( -0.232 -0.000 -0.211) 0.314 2.002 ( -1.711 -0.000 -0.518) 1.788 2.100 ( 2.535 0.000 -4.848) 5.471 2.217 ( -1.082 -0.000 0.502) 1.193 2.254 ( 1.720 0.000 -1.181) 2.087 2.271 ( 5.768 0.000 0.014) 5.768 2.478 ( -3.012 -0.000 5.853) 6.583 2.624 ( 5.623 0.000 -4.478) 7.188 2.785 ( 15.319 0.000 7.591) 17.096 3.349 ( -17.136 -0.000 -0.255) 17.138 3.891 ( 4.585 0.000 -2.083) 5.036 4.443 ( -2.939 -0.000 4.880) 5.697 4.506 ( 4.427 0.000 -8.122) 9.250 8.880 ( -2.806 -0.000 -0.251) 2.817 9.162 ( 2.752 0.000 2.719) 3.868 10.716 ( -7.517 -0.000 19.404) 20.809 11.068 ( 13.038 0.000 -13.266) 18.601 12.142 ( -6.545 -0.000 3.830) 7.583 12.355 ( -5.722 -0.000 -12.498) 13.746 12.817 ( 4.278 0.000 10.152) 11.017 13.370 ( 13.335 0.000 7.133) 15.122 14.061 ( -2.866 -0.000 3.085) 4.211 14.175 ( 4.410 0.000 -2.557) 5.098 14.920 ( -11.864 -0.000 1.051) 11.911 15.137 ( 0.981 0.000 -12.561) 12.599 ======================= Grid point 576 (298/306) ======================= q-point: (-0.30 -0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -7.685 -0.097 3.761) 8.557 1.294 ( -7.856 -1.462 -4.366) 9.106 1.394 ( -4.879 2.605 -3.392) 6.488 1.426 ( -5.266 -0.061 -0.571) 5.297 1.808 ( -3.196 2.856 2.411) 4.917 1.939 ( -2.725 -1.576 2.213) 3.848 1.982 ( 2.142 1.363 -1.960) 3.208 2.123 ( 4.003 -3.138 -4.386) 6.716 2.215 ( -1.215 -0.520 1.020) 1.669 2.256 ( 2.302 0.436 -2.539) 3.455 2.326 ( 4.699 1.309 0.184) 4.882 2.498 ( -2.654 0.016 4.722) 5.417 2.651 ( 5.599 0.024 -3.072) 6.386 3.015 ( 7.374 -1.199 3.549) 8.271 3.173 ( -10.553 -0.226 4.090) 11.320 3.881 ( 0.142 2.548 -1.836) 3.143 4.405 ( -0.538 4.403 -1.547) 4.697 4.544 ( 4.014 -6.758 -4.153) 8.890 8.875 ( -0.897 1.829 4.551) 4.986 9.200 ( -2.106 -3.690 1.029) 4.372 10.831 ( 2.527 8.559 13.081) 15.835 11.103 ( 10.489 -6.624 -9.533) 15.646 12.024 ( -8.498 9.447 -0.837) 12.735 12.223 ( -7.004 -7.759 -3.350) 10.976 12.996 ( 9.705 3.249 9.555) 14.002 13.574 ( 10.980 1.531 6.899) 13.057 14.045 ( -1.189 3.406 3.070) 4.737 14.187 ( 3.309 1.455 -2.208) 4.236 14.794 ( -11.931 -1.670 -1.165) 12.104 15.000 ( -4.908 -4.832 -14.368) 15.934 ======================= Grid point 577 (299/306) ======================= q-point: (-0.20 -0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -9.252 1.092 1.607) 9.454 1.171 ( -11.060 -3.118 -1.788) 11.629 1.306 ( 2.312 1.720 -3.147) 4.267 1.381 ( -3.788 0.626 1.434) 4.098 1.762 ( -2.938 3.105 2.464) 4.934 1.950 ( -3.274 -2.385 1.586) 4.350 1.979 ( 2.552 1.154 -1.027) 2.984 2.154 ( 2.535 -2.963 -4.663) 6.078 2.221 ( -0.752 -0.217 1.565) 1.750 2.249 ( 2.068 0.593 -2.511) 3.307 2.359 ( 3.402 1.545 0.676) 3.797 2.509 ( -1.618 0.253 2.843) 3.280 2.684 ( 4.321 0.484 -1.982) 4.779 2.948 ( -10.934 -1.727 -0.878) 11.104 3.301 ( 8.285 -1.102 7.453) 11.199 3.813 ( -2.624 2.971 -1.776) 4.343 4.329 ( 0.915 4.657 -2.749) 5.484 4.636 ( 4.176 -6.220 -2.801) 7.998 8.886 ( 0.332 4.010 4.371) 5.941 9.244 ( -4.051 -7.471 2.983) 9.007 10.776 ( 4.165 11.733 -4.996) 13.416 11.305 ( 11.290 -7.334 2.583) 13.708 11.808 ( -8.693 7.384 0.780) 11.432 12.238 ( -5.090 -6.996 1.494) 8.780 13.098 ( 5.613 7.231 2.537) 9.499 13.733 ( 7.494 0.339 6.354) 9.831 14.042 ( 3.908 4.977 3.789) 7.375 14.177 ( 0.404 2.337 0.842) 2.517 14.613 ( -11.292 -0.688 -12.067) 16.541 14.910 ( -6.619 -9.389 -4.531) 12.349 ======================= Grid point 578 (300/306) ======================= q-point: (-0.10 -0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -7.468 1.624 -0.493) 7.658 1.096 ( -9.926 -4.916 1.937) 11.245 1.334 ( 2.025 -0.379 3.164) 3.776 1.357 ( 1.508 1.528 -0.549) 2.216 1.718 ( -2.527 2.645 1.940) 4.141 1.941 ( -1.470 -1.429 -1.787) 2.720 1.995 ( 0.309 -0.171 1.562) 1.602 2.150 ( -1.098 -1.965 -3.375) 4.057 2.229 ( 1.090 0.523 -0.653) 1.374 2.248 ( 1.356 0.455 0.076) 1.432 2.387 ( 2.523 1.054 0.851) 2.864 2.511 ( -1.064 0.347 1.361) 1.762 2.690 ( 1.605 0.816 -2.047) 2.727 2.881 ( -4.543 -2.996 0.461) 5.461 3.441 ( 3.672 -0.302 3.616) 5.163 3.727 ( -4.499 1.337 -1.620) 4.966 4.281 ( 4.807 5.012 -1.464) 7.098 4.716 ( 2.864 -3.549 -1.115) 4.695 8.872 ( -0.317 2.989 1.094) 3.199 9.342 ( -1.618 -6.523 6.590) 9.412 10.612 ( 1.189 8.855 -8.431) 12.284 11.461 ( 5.041 -1.375 -3.734) 6.422 11.719 ( -2.287 3.780 7.058) 8.327 12.300 ( -4.691 -10.177 3.499) 11.739 12.999 ( -1.720 9.740 -5.400) 11.269 13.862 ( 1.645 -4.516 1.287) 4.976 14.076 ( 4.834 3.406 0.430) 5.929 14.172 ( -1.165 6.810 5.799) 9.020 14.365 ( -7.510 -3.501 -11.124) 13.871 14.960 ( -0.310 -6.528 2.626) 7.043 ======================= Grid point 586 (301/306) ======================= q-point: (-0.30 -0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -9.393 -0.000 3.745) 10.112 1.133 ( -11.917 -0.000 -2.173) 12.114 1.342 ( 3.500 0.000 -5.103) 6.188 1.383 ( -6.158 -0.000 2.615) 6.690 1.811 ( -2.822 -0.000 1.641) 3.265 1.905 ( -6.502 -0.000 4.841) 8.106 1.995 ( 2.177 0.000 -1.983) 2.945 2.114 ( 4.691 0.000 -4.685) 6.629 2.219 ( -0.704 -0.000 2.223) 2.332 2.257 ( 3.261 0.000 -4.264) 5.368 2.381 ( 4.027 0.000 -0.870) 4.120 2.512 ( -2.551 -0.000 4.259) 4.965 2.691 ( 5.686 0.000 -2.340) 6.149 2.923 ( -12.465 -0.000 -1.164) 12.519 3.287 ( 8.064 0.000 8.484) 11.705 3.848 ( -4.763 -0.000 -1.611) 5.028 4.458 ( 6.647 0.000 -7.877) 10.307 4.491 ( 2.310 0.000 1.634) 2.829 8.972 ( 0.590 0.000 11.432) 11.447 9.118 ( -4.952 -0.000 -2.525) 5.558 10.965 ( 7.385 0.000 -20.985) 22.247 11.172 ( 10.308 0.000 17.952) 20.701 11.908 ( -10.828 -0.000 -7.900) 13.404 12.147 ( -4.439 -0.000 8.207) 9.331 13.184 ( 5.647 0.000 3.431) 6.608 13.729 ( 5.301 0.000 2.493) 5.858 14.121 ( 2.429 0.000 7.949) 8.312 14.196 ( 2.464 0.000 -3.943) 4.649 14.696 ( -7.179 -0.000 5.233) 8.883 14.699 ( -11.642 -0.000 -18.274) 21.667 ======================= Grid point 587 (302/306) ======================= q-point: (-0.20 -0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -10.013 1.726 1.938) 10.344 1.005 ( -11.262 -2.927 2.612) 11.926 1.326 ( -5.296 0.456 2.324) 5.802 1.388 ( 7.409 0.301 -0.320) 7.422 1.779 ( -2.990 2.168 1.813) 4.114 1.888 ( -5.749 -2.233 2.730) 6.744 2.001 ( 0.595 0.278 0.648) 0.923 2.119 ( 3.051 -0.664 -4.979) 5.877 2.237 ( -0.174 0.167 2.050) 2.064 2.251 ( 2.854 -0.043 -3.511) 4.525 2.408 ( 3.307 0.549 -1.231) 3.571 2.521 ( -1.948 0.348 3.036) 3.624 2.720 ( 2.645 1.739 -1.862) 3.672 2.806 ( -6.750 -2.992 -0.459) 7.397 3.435 ( 4.637 -0.151 4.961) 6.792 3.752 ( -7.698 0.629 -1.884) 7.950 4.426 ( 8.025 6.763 -2.811) 10.865 4.601 ( 5.483 -5.929 -0.596) 8.098 8.980 ( -2.869 5.745 1.205) 6.533 9.178 ( -0.094 -6.996 10.582) 12.686 10.783 ( 4.213 4.605 -21.376) 22.268 11.446 ( 9.622 0.380 7.208) 12.029 11.745 ( -7.014 -1.963 -1.346) 7.407 12.174 ( -5.600 -0.702 6.362) 8.504 13.153 ( -4.714 3.319 -6.574) 8.744 13.761 ( -0.919 -2.928 -3.484) 4.643 14.163 ( 2.853 3.624 -2.136) 5.083 14.278 ( 0.987 -2.996 -0.022) 3.155 14.350 ( -8.421 6.287 -2.676) 10.845 14.786 ( 0.189 -6.801 9.118) 11.377 ======================= Grid point 588 (303/306) ======================= q-point: (-0.10 -0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -6.278 0.995 5.053) 8.120 0.980 ( -7.628 -3.996 5.690) 10.321 1.301 ( -4.573 -2.269 2.588) 5.723 1.488 ( 8.570 2.325 3.130) 9.415 1.733 ( -3.122 2.556 1.552) 4.323 1.868 ( -2.924 -2.234 -1.844) 4.116 2.018 ( -0.345 0.348 2.768) 2.811 2.098 ( 0.072 -0.451 -3.424) 3.455 2.237 ( 2.357 0.459 -2.816) 3.701 2.267 ( -0.321 -0.360 2.259) 2.310 2.425 ( 2.920 0.376 -1.463) 3.288 2.519 ( -1.469 0.842 1.874) 2.525 2.680 ( -1.205 0.410 -1.778) 2.186 2.826 ( 0.838 -3.411 0.589) 3.561 3.477 ( -1.587 1.324 -0.141) 2.071 3.635 ( -7.474 -0.890 -2.264) 7.860 4.449 ( 11.293 6.859 0.464) 13.220 4.719 ( 4.808 -3.164 0.844) 5.817 8.894 ( -3.280 3.407 -0.069) 4.730 9.386 ( 2.956 -4.452 13.315) 14.348 10.552 ( 1.469 4.104 -20.347) 20.809 11.482 ( 1.642 2.716 -1.817) 3.657 11.762 ( -3.139 -0.873 1.936) 3.790 12.177 ( -7.295 -5.586 5.195) 10.554 12.925 ( -10.176 3.163 -10.633) 15.054 13.683 ( -8.530 -5.867 -14.323) 17.672 13.966 ( -12.864 1.170 -8.172) 15.285 14.184 ( 3.266 1.324 -2.495) 4.318 14.544 ( 11.713 4.642 17.959) 21.938 15.001 ( 6.262 -5.030 10.529) 13.243 ======================= Grid point 597 (304/306) ======================= q-point: (-0.20 -0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -9.261 -0.000 8.082) 12.292 0.913 ( -6.858 -0.000 4.207) 8.046 1.275 ( -6.282 -0.000 2.312) 6.694 1.510 ( 8.732 0.000 3.236) 9.313 1.779 ( -1.002 -0.000 0.343) 1.059 1.830 ( -5.471 -0.000 1.409) 5.650 2.021 ( -1.224 -0.000 4.154) 4.330 2.097 ( 2.760 0.000 -6.133) 6.726 2.245 ( 3.607 0.000 -4.656) 5.889 2.258 ( -2.081 -0.000 4.274) 4.754 2.429 ( 3.135 0.000 -2.306) 3.891 2.530 ( -1.676 -0.000 2.365) 2.899 2.692 ( -5.287 -0.000 -0.549) 5.315 2.777 ( 4.307 0.000 -0.959) 4.412 3.493 ( 0.903 0.000 0.078) 0.906 3.625 ( -10.430 -0.000 -2.391) 10.701 4.577 ( 11.598 0.000 -0.945) 11.636 4.636 ( 6.932 0.000 1.991) 7.212 8.948 ( -4.420 -0.000 -1.486) 4.663 9.319 ( 3.557 0.000 17.144) 17.509 10.606 ( 3.474 0.000 -26.105) 26.335 11.613 ( -5.062 -0.000 -2.128) 5.492 11.616 ( 4.028 0.000 3.235) 5.166 12.159 ( -7.960 -0.000 5.143) 9.476 12.951 ( -14.106 -0.000 -12.453) 18.816 13.610 ( -8.173 -0.000 -14.264) 16.439 13.985 ( -13.386 -0.000 -9.249) 16.270 14.199 ( 3.241 0.000 -3.268) 4.602 14.623 ( 13.580 0.000 16.921) 21.697 14.913 ( 4.737 0.000 15.576) 16.280 ======================= Grid point 598 (305/306) ======================= q-point: (-0.10 -0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -3.567 0.487 7.147) 8.003 0.956 ( -2.145 -2.423 11.811) 12.246 1.248 ( -4.575 -2.019 3.097) 5.882 1.618 ( 3.576 0.196 2.468) 4.349 1.743 ( -2.703 3.500 -0.274) 4.431 1.817 ( 2.356 -1.381 -0.261) 2.744 2.043 ( 0.496 1.279 -2.777) 3.097 2.066 ( -1.485 -1.053 2.566) 3.147 2.242 ( 3.215 0.331 -3.430) 4.713 2.279 ( -2.750 -0.574 4.967) 5.706 2.438 ( 2.949 0.230 -2.952) 4.179 2.529 ( -1.074 0.371 1.346) 1.761 2.651 ( -1.378 -0.361 -0.232) 1.443 2.826 ( 2.892 -1.755 0.379) 3.404 3.432 ( -7.553 3.061 -3.450) 8.850 3.501 ( -5.518 -3.070 -4.087) 7.521 4.676 ( 11.876 5.494 2.201) 13.269 4.774 ( 7.125 -2.363 2.485) 7.908 8.889 ( -3.585 1.982 1.809) 4.478 9.550 ( 4.817 -1.650 16.005) 16.796 10.372 ( 3.312 1.306 -25.939) 26.182 11.514 ( -1.400 4.161 -1.670) 4.697 11.647 ( -7.915 -4.835 -3.390) 9.875 12.103 ( -9.755 -0.364 5.837) 11.374 12.656 ( -15.320 -2.345 -11.477) 19.285 13.299 ( -14.896 -2.998 -20.517) 25.530 13.838 ( -4.185 0.621 -1.424) 4.464 14.190 ( 1.874 0.245 -4.210) 4.615 14.931 ( 14.916 4.633 15.752) 22.183 15.158 ( 6.824 -3.465 13.842) 15.817 ======================= Grid point 608 (306/306) ======================= q-point: (-0.10 -0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -3.715 -0.000 9.059) 9.791 1.104 ( 4.634 0.000 13.489) 14.263 1.226 ( -2.564 -0.000 4.131) 4.862 1.625 ( -0.896 -0.000 -1.687) 1.911 1.694 ( -2.280 -0.000 -5.781) 6.215 1.916 ( 6.197 0.000 5.467) 8.264 1.986 ( -0.599 -0.000 -7.427) 7.452 2.092 ( -2.284 -0.000 5.416) 5.878 2.259 ( 4.516 0.000 -2.431) 5.129 2.293 ( -4.822 -0.000 7.725) 9.106 2.447 ( 3.638 0.000 -3.621) 5.133 2.526 ( -1.169 -0.000 0.352) 1.221 2.651 ( 1.331 0.000 1.400) 1.932 2.854 ( 2.203 0.000 1.347) 2.582 3.298 ( -11.664 -0.000 -3.762) 12.255 3.376 ( -2.688 -0.000 -7.677) 8.134 4.865 ( 7.387 0.000 2.935) 7.948 4.873 ( 9.428 0.000 2.844) 9.848 8.902 ( -3.027 -0.000 6.389) 7.070 9.738 ( 3.240 0.000 10.108) 10.615 10.183 ( 8.020 0.000 -22.414) 23.806 11.340 ( -18.958 -0.000 -9.283) 21.109 11.603 ( 3.544 0.000 2.553) 4.368 12.045 ( -11.062 -0.000 6.237) 12.699 12.356 ( -13.748 -0.000 -8.122) 15.968 12.909 ( -13.128 -0.000 -20.171) 24.067 13.821 ( 0.559 0.000 0.739) 0.926 14.155 ( -0.053 -0.000 -5.073) 5.074 15.274 ( 16.439 0.000 8.470) 18.493 15.333 ( 2.818 0.000 14.091) 14.370 =================== 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 3/33000 10.0 224.565 132.296 184.576 0.000 -1.018 0.000 3/33000 20.0 48.485 27.057 42.349 0.000 1.909 0.000 3/33000 30.0 24.805 13.786 21.316 0.000 1.417 0.000 3/33000 40.0 17.404 9.625 14.449 0.000 1.179 0.000 3/33000 50.0 13.840 7.624 11.140 0.000 1.023 0.000 3/33000 60.0 11.663 6.413 9.192 0.000 0.897 0.000 3/33000 70.0 10.146 5.577 7.902 0.000 0.789 0.000 3/33000 80.0 9.004 4.952 6.979 0.000 0.697 0.000 3/33000 90.0 8.102 4.461 6.279 0.000 0.618 0.000 3/33000 100.0 7.367 4.061 5.725 0.000 0.553 0.000 3/33000 110.0 6.755 3.729 5.271 0.000 0.498 0.000 3/33000 120.0 6.236 3.447 4.891 0.000 0.451 0.000 3/33000 130.0 5.790 3.205 4.565 0.000 0.413 0.000 3/33000 140.0 5.404 2.995 4.283 0.000 0.380 0.000 3/33000 150.0 5.065 2.810 4.035 0.000 0.352 0.000 3/33000 160.0 4.766 2.647 3.814 0.000 0.327 0.000 3/33000 170.0 4.500 2.501 3.617 0.000 0.306 0.000 3/33000 180.0 4.262 2.371 3.440 0.000 0.288 0.000 3/33000 190.0 4.048 2.253 3.279 0.000 0.272 0.000 3/33000 200.0 3.854 2.147 3.132 0.000 0.258 0.000 3/33000 210.0 3.678 2.050 2.998 0.000 0.245 0.000 3/33000 220.0 3.517 1.961 2.875 0.000 0.234 0.000 3/33000 230.0 3.369 1.879 2.762 0.000 0.223 0.000 3/33000 240.0 3.234 1.804 2.657 0.000 0.214 0.000 3/33000 250.0 3.108 1.735 2.559 0.000 0.205 0.000 3/33000 260.0 2.992 1.671 2.469 0.000 0.197 0.000 3/33000 270.0 2.885 1.611 2.384 0.000 0.190 0.000 3/33000 280.0 2.785 1.556 2.305 0.000 0.183 0.000 3/33000 290.0 2.691 1.504 2.231 0.000 0.177 0.000 3/33000 300.0 2.604 1.455 2.162 0.000 0.171 0.000 3/33000 310.0 2.522 1.410 2.096 0.000 0.166 0.000 3/33000 320.0 2.445 1.367 2.035 0.000 0.161 0.000 3/33000 330.0 2.372 1.326 1.976 0.000 0.156 0.000 3/33000 340.0 2.304 1.288 1.921 0.000 0.151 0.000 3/33000 350.0 2.239 1.252 1.869 0.000 0.147 0.000 3/33000 360.0 2.178 1.218 1.820 0.000 0.143 0.000 3/33000 370.0 2.121 1.186 1.773 0.000 0.139 0.000 3/33000 380.0 2.066 1.156 1.729 0.000 0.136 0.000 3/33000 390.0 2.014 1.127 1.686 0.000 0.132 0.000 3/33000 400.0 1.964 1.099 1.646 0.000 0.129 0.000 3/33000 410.0 1.917 1.073 1.607 0.000 0.126 0.000 3/33000 420.0 1.872 1.048 1.571 0.000 0.123 0.000 3/33000 430.0 1.829 1.024 1.536 0.000 0.120 0.000 3/33000 440.0 1.788 1.001 1.502 0.000 0.118 0.000 3/33000 450.0 1.749 0.979 1.470 0.000 0.115 0.000 3/33000 460.0 1.712 0.958 1.439 0.000 0.113 0.000 3/33000 470.0 1.676 0.938 1.409 0.000 0.110 0.000 3/33000 480.0 1.641 0.919 1.381 0.000 0.108 0.000 3/33000 490.0 1.608 0.900 1.353 0.000 0.106 0.000 3/33000 500.0 1.576 0.883 1.327 0.000 0.104 0.000 3/33000 510.0 1.546 0.865 1.302 0.000 0.102 0.000 3/33000 520.0 1.516 0.849 1.277 0.000 0.100 0.000 3/33000 530.0 1.488 0.833 1.254 0.000 0.098 0.000 3/33000 540.0 1.461 0.818 1.231 0.000 0.096 0.000 3/33000 550.0 1.435 0.803 1.210 0.000 0.094 0.000 3/33000 560.0 1.409 0.789 1.188 0.000 0.093 0.000 3/33000 570.0 1.385 0.775 1.168 0.000 0.091 0.000 3/33000 580.0 1.361 0.762 1.148 0.000 0.090 0.000 3/33000 590.0 1.338 0.749 1.129 0.000 0.088 0.000 3/33000 600.0 1.316 0.737 1.111 0.000 0.087 0.000 3/33000 610.0 1.295 0.725 1.093 0.000 0.085 0.000 3/33000 620.0 1.274 0.713 1.076 0.000 0.084 0.000 3/33000 630.0 1.254 0.702 1.059 0.000 0.083 0.000 3/33000 640.0 1.235 0.691 1.043 0.000 0.081 0.000 3/33000 650.0 1.216 0.681 1.027 0.000 0.080 0.000 3/33000 660.0 1.197 0.671 1.012 0.000 0.079 0.000 3/33000 670.0 1.180 0.661 0.997 0.000 0.078 0.000 3/33000 680.0 1.162 0.651 0.983 0.000 0.077 0.000 3/33000 690.0 1.146 0.642 0.969 0.000 0.076 0.000 3/33000 700.0 1.129 0.633 0.955 0.000 0.074 0.000 3/33000 710.0 1.114 0.624 0.942 0.000 0.073 0.000 3/33000 720.0 1.098 0.615 0.929 0.000 0.072 0.000 3/33000 730.0 1.083 0.607 0.916 0.000 0.071 0.000 3/33000 740.0 1.069 0.599 0.904 0.000 0.070 0.000 3/33000 750.0 1.055 0.591 0.892 0.000 0.070 0.000 3/33000 760.0 1.041 0.583 0.881 0.000 0.069 0.000 3/33000 770.0 1.027 0.576 0.869 0.000 0.068 0.000 3/33000 780.0 1.014 0.568 0.858 0.000 0.067 0.000 3/33000 790.0 1.002 0.561 0.848 0.000 0.066 0.000 3/33000 800.0 0.989 0.554 0.837 0.000 0.065 0.000 3/33000 810.0 0.977 0.547 0.827 0.000 0.064 0.000 3/33000 820.0 0.965 0.541 0.817 0.000 0.064 0.000 3/33000 830.0 0.954 0.534 0.807 0.000 0.063 0.000 3/33000 840.0 0.942 0.528 0.798 0.000 0.062 0.000 3/33000 850.0 0.931 0.522 0.789 0.000 0.061 0.000 3/33000 860.0 0.920 0.516 0.779 0.000 0.061 0.000 3/33000 870.0 0.910 0.510 0.771 0.000 0.060 0.000 3/33000 880.0 0.900 0.504 0.762 0.000 0.059 0.000 3/33000 890.0 0.890 0.498 0.753 0.000 0.059 0.000 3/33000 900.0 0.880 0.493 0.745 0.000 0.058 0.000 3/33000 910.0 0.870 0.487 0.737 0.000 0.057 0.000 3/33000 920.0 0.861 0.482 0.729 0.000 0.057 0.000 3/33000 930.0 0.852 0.477 0.721 0.000 0.056 0.000 3/33000 940.0 0.842 0.472 0.714 0.000 0.056 0.000 3/33000 950.0 0.834 0.467 0.706 0.000 0.055 0.000 3/33000 960.0 0.825 0.462 0.699 0.000 0.054 0.000 3/33000 970.0 0.817 0.457 0.692 0.000 0.054 0.000 3/33000 980.0 0.808 0.453 0.685 0.000 0.053 0.000 3/33000 990.0 0.800 0.448 0.678 0.000 0.053 0.000 3/33000 1000.0 0.792 0.444 0.671 0.000 0.052 0.000 3/33000 Thermal conductivity related properties were written into "kappa-m101011.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:53:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|