----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:01:34]------------------------- 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: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.604975030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.604975030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.867240800000000 Atomic positions (fractional): *1 Li 0.28661035155295 0.28661035155295 0.00000000000000 6.941 2 Li 0.21338964844705 0.78661035155295 0.50000000000000 6.941 3 Li 0.78661035155295 0.21338964844705 0.50000000000000 6.941 4 Li 0.71338964844705 0.71338964844705 0.00000000000000 6.941 5 Li 0.21338964844705 0.21338964844705 0.50000000000000 6.941 6 Li 0.28661035155295 0.71338964844705 0.00000000000000 6.941 7 Li 0.71338964844705 0.28661035155295 0.00000000000000 6.941 8 Li 0.78661035155295 0.78661035155295 0.50000000000000 6.941 *9 Li 0.00000000000000 0.50000000000000 0.42003256120419 6.941 10 Li 0.00000000000000 0.50000000000000 0.92003256120419 6.941 11 Li 0.50000000000000 0.00000000000000 0.57996743879581 6.941 12 Li 0.50000000000000 0.00000000000000 0.07996743879581 6.941 *13 N 0.25799479785911 0.50000000000000 0.69828649652338 14.007 14 N 0.74200520214089 0.50000000000000 0.69828649652338 14.007 15 N 0.00000000000000 0.24200520214089 0.19828649652338 14.007 16 N 0.00000000000000 0.75799479785911 0.19828649652338 14.007 17 N 0.50000000000000 0.25799479785911 0.30171350347662 14.007 18 N 0.24200520214089 0.00000000000000 0.80171350347662 14.007 19 N 0.75799479785911 0.00000000000000 0.80171350347662 14.007 20 N 0.50000000000000 0.74200520214089 0.30171350347662 14.007 *21 Mo 0.00000000000000 0.00000000000000 0.00000000000000 95.960 22 Mo 0.50000000000000 0.50000000000000 0.50000000000000 95.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.604975030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.604975030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.867240800000000 Atomic positions (fractional): *1 Li 0.28661035155295 0.28661035155295 0.00000000000000 6.941 > 1 2 Li 0.21338964844705 0.78661035155295 0.50000000000000 6.941 > 2 3 Li 0.78661035155295 0.21338964844705 0.50000000000000 6.941 > 3 4 Li 0.71338964844705 0.71338964844705 0.00000000000000 6.941 > 4 5 Li 0.21338964844705 0.21338964844705 0.50000000000000 6.941 > 5 6 Li 0.28661035155295 0.71338964844705 0.00000000000000 6.941 > 6 7 Li 0.71338964844705 0.28661035155295 0.00000000000000 6.941 > 7 8 Li 0.78661035155295 0.78661035155295 0.50000000000000 6.941 > 8 *9 Li 0.00000000000000 0.50000000000000 0.42003256120419 6.941 > 9 10 Li 0.00000000000000 0.50000000000000 0.92003256120419 6.941 > 10 11 Li 0.50000000000000 0.00000000000000 0.57996743879581 6.941 > 11 12 Li 0.50000000000000 0.00000000000000 0.07996743879581 6.941 > 12 *13 N 0.25799479785911 0.50000000000000 0.69828649652338 14.007 > 13 14 N 0.74200520214089 0.50000000000000 0.69828649652338 14.007 > 14 15 N 0.00000000000000 0.24200520214089 0.19828649652338 14.007 > 15 16 N 0.00000000000000 0.75799479785911 0.19828649652338 14.007 > 16 17 N 0.50000000000000 0.25799479785911 0.30171350347662 14.007 > 17 18 N 0.24200520214089 0.00000000000000 0.80171350347662 14.007 > 18 19 N 0.75799479785911 0.00000000000000 0.80171350347662 14.007 > 19 20 N 0.50000000000000 0.74200520214089 0.30171350347662 14.007 > 20 *21 Mo 0.00000000000000 0.00000000000000 0.00000000000000 95.960 > 21 22 Mo 0.50000000000000 0.50000000000000 0.50000000000000 95.960 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.604975030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.604975030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.734481600000001 Atomic positions (fractional): *1 Li 0.28661035155295 0.28661035155295 0.00000000000000 6.941 > 1 2 Li 0.28661035155295 0.28661035155295 0.50000000000000 6.941 > 1 3 Li 0.21338964844705 0.78661035155295 0.25000000000000 6.941 > 2 4 Li 0.21338964844705 0.78661035155295 0.75000000000000 6.941 > 2 5 Li 0.78661035155295 0.21338964844705 0.25000000000000 6.941 > 3 6 Li 0.78661035155295 0.21338964844705 0.75000000000000 6.941 > 3 7 Li 0.71338964844705 0.71338964844705 0.00000000000000 6.941 > 4 8 Li 0.71338964844705 0.71338964844705 0.50000000000000 6.941 > 4 9 Li 0.21338964844705 0.21338964844705 0.25000000000000 6.941 > 5 10 Li 0.21338964844705 0.21338964844705 0.75000000000000 6.941 > 5 11 Li 0.28661035155295 0.71338964844705 0.00000000000000 6.941 > 6 12 Li 0.28661035155295 0.71338964844705 0.50000000000000 6.941 > 6 13 Li 0.71338964844705 0.28661035155295 0.00000000000000 6.941 > 7 14 Li 0.71338964844705 0.28661035155295 0.50000000000000 6.941 > 7 15 Li 0.78661035155295 0.78661035155295 0.25000000000000 6.941 > 8 16 Li 0.78661035155295 0.78661035155295 0.75000000000000 6.941 > 8 *17 Li 0.00000000000000 0.50000000000000 0.21001628060210 6.941 > 9 18 Li 0.00000000000000 0.50000000000000 0.71001628060210 6.941 > 9 19 Li 0.00000000000000 0.50000000000000 0.46001628060210 6.941 > 10 20 Li 0.00000000000000 0.50000000000000 0.96001628060210 6.941 > 10 21 Li 0.50000000000000 0.00000000000000 0.28998371939790 6.941 > 11 22 Li 0.50000000000000 0.00000000000000 0.78998371939790 6.941 > 11 23 Li 0.50000000000000 0.00000000000000 0.03998371939790 6.941 > 12 24 Li 0.50000000000000 0.00000000000000 0.53998371939790 6.941 > 12 *25 N 0.25799479785911 0.50000000000000 0.34914324826169 14.007 > 13 26 N 0.25799479785911 0.50000000000000 0.84914324826169 14.007 > 13 27 N 0.74200520214089 0.50000000000000 0.34914324826169 14.007 > 14 28 N 0.74200520214089 0.50000000000000 0.84914324826169 14.007 > 14 29 N 0.00000000000000 0.24200520214089 0.09914324826169 14.007 > 15 30 N 0.00000000000000 0.24200520214089 0.59914324826169 14.007 > 15 31 N 0.00000000000000 0.75799479785911 0.09914324826169 14.007 > 16 32 N 0.00000000000000 0.75799479785911 0.59914324826169 14.007 > 16 33 N 0.50000000000000 0.25799479785911 0.15085675173831 14.007 > 17 34 N 0.50000000000000 0.25799479785911 0.65085675173831 14.007 > 17 35 N 0.24200520214089 0.00000000000000 0.40085675173831 14.007 > 18 36 N 0.24200520214089 0.00000000000000 0.90085675173831 14.007 > 18 37 N 0.75799479785911 0.00000000000000 0.40085675173831 14.007 > 19 38 N 0.75799479785911 0.00000000000000 0.90085675173831 14.007 > 19 39 N 0.50000000000000 0.74200520214089 0.15085675173831 14.007 > 20 40 N 0.50000000000000 0.74200520214089 0.65085675173831 14.007 > 20 *41 Mo 0.00000000000000 0.00000000000000 0.00000000000000 95.960 > 21 42 Mo 0.00000000000000 0.00000000000000 0.50000000000000 95.960 > 21 43 Mo 0.50000000000000 0.50000000000000 0.25000000000000 95.960 > 22 44 Mo 0.50000000000000 0.50000000000000 0.75000000000000 95.960 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4382899 0.0000000 0.0000000 0.0000000 5.4382899 0.0000000 0.0000000 0.0000000 4.5477100 -------------------------- Born effective charges -------------------------- 1 Li 0.8520871 0.4394346 -0.0103428 0.4394346 0.8520871 0.0103428 0.2416890 -0.2416890 0.9395593 2 Li 0.8520871 -0.4394346 -0.0103428 -0.4394346 0.8520871 -0.0103428 0.2416890 0.2416890 0.9395593 3 Li 0.8520871 -0.4394346 0.0103428 -0.4394346 0.8520871 0.0103428 -0.2416890 -0.2416890 0.9395593 4 Li 0.8520871 0.4394346 0.0103428 0.4394346 0.8520871 -0.0103428 -0.2416890 0.2416890 0.9395593 5 Li 0.8520871 0.4394346 -0.0103428 0.4394346 0.8520871 0.0103428 0.2416890 -0.2416890 0.9395593 6 Li 0.8520871 -0.4394346 -0.0103428 -0.4394346 0.8520871 -0.0103428 0.2416890 0.2416890 0.9395593 7 Li 0.8520871 -0.4394346 0.0103428 -0.4394346 0.8520871 0.0103428 -0.2416890 -0.2416890 0.9395593 8 Li 0.8520871 0.4394346 0.0103428 0.4394346 0.8520871 -0.0103428 -0.2416890 0.2416890 0.9395593 9 Li 1.3601815 0.0000000 0.0000000 0.0000000 1.3615030 0.0000000 0.0000000 0.0000000 0.8886973 10 Li 1.3615030 0.0000000 0.0000000 0.0000000 1.3601815 0.0000000 0.0000000 0.0000000 0.8886973 11 Li 1.3615030 0.0000000 0.0000000 0.0000000 1.3601815 0.0000000 0.0000000 0.0000000 0.8886973 12 Li 1.3601815 0.0000000 0.0000000 0.0000000 1.3615030 0.0000000 0.0000000 0.0000000 0.8886973 13 N -3.2783072 0.0000000 1.1119290 0.0000000 -1.5373825 0.0000000 0.7396784 0.0000000 -1.8965921 14 N -3.2783072 0.0000000 -1.1119290 0.0000000 -1.5373825 0.0000000 -0.7396784 0.0000000 -1.8965921 15 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 -1.1119290 0.0000000 -0.7396784 -1.8965921 16 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 1.1119290 0.0000000 0.7396784 -1.8965921 17 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 -1.1119290 0.0000000 -0.7396784 -1.8965921 18 N -3.2783072 0.0000000 1.1119290 0.0000000 -1.5373825 0.0000000 0.7396784 0.0000000 -1.8965921 19 N -3.2783072 0.0000000 -1.1119290 0.0000000 -1.5373825 0.0000000 -0.7396784 0.0000000 -1.8965921 20 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 1.1119290 0.0000000 0.7396784 -1.8965921 21 Mo 3.5013463 0.0000000 0.0000000 0.0000000 3.5013463 0.0000000 0.0000000 0.0000000 2.0507369 22 Mo 3.5013463 0.0000000 0.0000000 0.0000000 3.5013463 0.0000000 0.0000000 0.0000000 2.0507369 ---------------------------------------------------------------------------- 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: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 330 Number of blocks in projector: 336 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 44 Use standard eigh solver. Tree of FC basis block matrices: - (330, 315), data: False |-- (44, 43), data: True |-- (62, 58), data: True |-- (112, 108), data: True |-- (112, 106), data: True ----- Solver_atoms: 1 -- 44 / 44 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.091 Solver_block: 200 / 240 - Time: 0.098 Solver_block: 240 / 240 - Time: 0.046 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.239 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 330 Number of blocks in projector: 336 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 44 Use standard eigh solver. Tree of FC basis block matrices: - (330, 315), data: False |-- (44, 43), data: True |-- (62, 58), data: True |-- (112, 108), data: True |-- (112, 106), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:01:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:01:39]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.604975030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.604975030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.867240800000000 Atomic positions (fractional): 1 Li 0.28661035155295 0.28661035155295 0.00000000000000 6.941 2 Li 0.21338964844705 0.78661035155295 0.50000000000000 6.941 3 Li 0.78661035155295 0.21338964844705 0.50000000000000 6.941 4 Li 0.71338964844705 0.71338964844705 0.00000000000000 6.941 5 Li 0.21338964844705 0.21338964844705 0.50000000000000 6.941 6 Li 0.28661035155295 0.71338964844705 0.00000000000000 6.941 7 Li 0.71338964844705 0.28661035155295 0.00000000000000 6.941 8 Li 0.78661035155295 0.78661035155295 0.50000000000000 6.941 9 Li 0.00000000000000 0.50000000000000 0.42003256120419 6.941 10 Li 0.00000000000000 0.50000000000000 0.92003256120419 6.941 11 Li 0.50000000000000 0.00000000000000 0.57996743879581 6.941 12 Li 0.50000000000000 0.00000000000000 0.07996743879581 6.941 13 N 0.25799479785911 0.50000000000000 0.69828649652338 14.007 14 N 0.74200520214089 0.50000000000000 0.69828649652338 14.007 15 N 0.00000000000000 0.24200520214089 0.19828649652338 14.007 16 N 0.00000000000000 0.75799479785911 0.19828649652338 14.007 17 N 0.50000000000000 0.25799479785911 0.30171350347662 14.007 18 N 0.24200520214089 0.00000000000000 0.80171350347662 14.007 19 N 0.75799479785911 0.00000000000000 0.80171350347662 14.007 20 N 0.50000000000000 0.74200520214089 0.30171350347662 14.007 21 Mo 0.00000000000000 0.00000000000000 0.00000000000000 95.960 22 Mo 0.50000000000000 0.50000000000000 0.50000000000000 95.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.604975030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.604975030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.734481600000001 Atomic positions (fractional): 1 Li 0.28661035155295 0.28661035155295 0.00000000000000 6.941 > 1 2 Li 0.28661035155295 0.28661035155295 0.50000000000000 6.941 > 1 3 Li 0.21338964844705 0.78661035155295 0.25000000000000 6.941 > 3 4 Li 0.21338964844705 0.78661035155295 0.75000000000000 6.941 > 3 5 Li 0.78661035155295 0.21338964844705 0.25000000000000 6.941 > 5 6 Li 0.78661035155295 0.21338964844705 0.75000000000000 6.941 > 5 7 Li 0.71338964844705 0.71338964844705 0.00000000000000 6.941 > 7 8 Li 0.71338964844705 0.71338964844705 0.50000000000000 6.941 > 7 9 Li 0.21338964844705 0.21338964844705 0.25000000000000 6.941 > 9 10 Li 0.21338964844705 0.21338964844705 0.75000000000000 6.941 > 9 11 Li 0.28661035155295 0.71338964844705 0.00000000000000 6.941 > 11 12 Li 0.28661035155295 0.71338964844705 0.50000000000000 6.941 > 11 13 Li 0.71338964844705 0.28661035155295 0.00000000000000 6.941 > 13 14 Li 0.71338964844705 0.28661035155295 0.50000000000000 6.941 > 13 15 Li 0.78661035155295 0.78661035155295 0.25000000000000 6.941 > 15 16 Li 0.78661035155295 0.78661035155295 0.75000000000000 6.941 > 15 17 Li 0.00000000000000 0.50000000000000 0.21001628060210 6.941 > 17 18 Li 0.00000000000000 0.50000000000000 0.71001628060210 6.941 > 17 19 Li 0.00000000000000 0.50000000000000 0.46001628060210 6.941 > 19 20 Li 0.00000000000000 0.50000000000000 0.96001628060210 6.941 > 19 21 Li 0.50000000000000 0.00000000000000 0.28998371939790 6.941 > 21 22 Li 0.50000000000000 0.00000000000000 0.78998371939790 6.941 > 21 23 Li 0.50000000000000 0.00000000000000 0.03998371939790 6.941 > 23 24 Li 0.50000000000000 0.00000000000000 0.53998371939790 6.941 > 23 25 N 0.25799479785911 0.50000000000000 0.34914324826169 14.007 > 25 26 N 0.25799479785911 0.50000000000000 0.84914324826169 14.007 > 25 27 N 0.74200520214089 0.50000000000000 0.34914324826169 14.007 > 27 28 N 0.74200520214089 0.50000000000000 0.84914324826169 14.007 > 27 29 N 0.00000000000000 0.24200520214089 0.09914324826169 14.007 > 29 30 N 0.00000000000000 0.24200520214089 0.59914324826169 14.007 > 29 31 N 0.00000000000000 0.75799479785911 0.09914324826169 14.007 > 31 32 N 0.00000000000000 0.75799479785911 0.59914324826169 14.007 > 31 33 N 0.50000000000000 0.25799479785911 0.15085675173831 14.007 > 33 34 N 0.50000000000000 0.25799479785911 0.65085675173831 14.007 > 33 35 N 0.24200520214089 0.00000000000000 0.40085675173831 14.007 > 35 36 N 0.24200520214089 0.00000000000000 0.90085675173831 14.007 > 35 37 N 0.75799479785911 0.00000000000000 0.40085675173831 14.007 > 37 38 N 0.75799479785911 0.00000000000000 0.90085675173831 14.007 > 37 39 N 0.50000000000000 0.74200520214089 0.15085675173831 14.007 > 39 40 N 0.50000000000000 0.74200520214089 0.65085675173831 14.007 > 39 41 Mo 0.00000000000000 0.00000000000000 0.00000000000000 95.960 > 41 42 Mo 0.00000000000000 0.00000000000000 0.50000000000000 95.960 > 41 43 Mo 0.50000000000000 0.50000000000000 0.25000000000000 95.960 > 43 44 Mo 0.50000000000000 0.50000000000000 0.75000000000000 95.960 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4382899 0.0000000 0.0000000 0.0000000 5.4382899 0.0000000 0.0000000 0.0000000 4.5477100 -------------------------- Born effective charges -------------------------- 1 Li 0.8520871 0.4394346 -0.0103428 0.4394346 0.8520871 0.0103428 0.2416890 -0.2416890 0.9395593 2 Li 0.8520871 -0.4394346 -0.0103428 -0.4394346 0.8520871 -0.0103428 0.2416890 0.2416890 0.9395593 3 Li 0.8520871 -0.4394346 0.0103428 -0.4394346 0.8520871 0.0103428 -0.2416890 -0.2416890 0.9395593 4 Li 0.8520871 0.4394346 0.0103428 0.4394346 0.8520871 -0.0103428 -0.2416890 0.2416890 0.9395593 5 Li 0.8520871 0.4394346 -0.0103428 0.4394346 0.8520871 0.0103428 0.2416890 -0.2416890 0.9395593 6 Li 0.8520871 -0.4394346 -0.0103428 -0.4394346 0.8520871 -0.0103428 0.2416890 0.2416890 0.9395593 7 Li 0.8520871 -0.4394346 0.0103428 -0.4394346 0.8520871 0.0103428 -0.2416890 -0.2416890 0.9395593 8 Li 0.8520871 0.4394346 0.0103428 0.4394346 0.8520871 -0.0103428 -0.2416890 0.2416890 0.9395593 9 Li 1.3601815 0.0000000 0.0000000 0.0000000 1.3615030 0.0000000 0.0000000 0.0000000 0.8886973 10 Li 1.3615030 0.0000000 0.0000000 0.0000000 1.3601815 0.0000000 0.0000000 0.0000000 0.8886973 11 Li 1.3615030 0.0000000 0.0000000 0.0000000 1.3601815 0.0000000 0.0000000 0.0000000 0.8886973 12 Li 1.3601815 0.0000000 0.0000000 0.0000000 1.3615030 0.0000000 0.0000000 0.0000000 0.8886973 13 N -3.2783072 0.0000000 1.1119290 0.0000000 -1.5373825 0.0000000 0.7396784 0.0000000 -1.8965921 14 N -3.2783072 0.0000000 -1.1119290 0.0000000 -1.5373825 0.0000000 -0.7396784 0.0000000 -1.8965921 15 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 -1.1119290 0.0000000 -0.7396784 -1.8965921 16 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 1.1119290 0.0000000 0.7396784 -1.8965921 17 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 -1.1119290 0.0000000 -0.7396784 -1.8965921 18 N -3.2783072 0.0000000 1.1119290 0.0000000 -1.5373825 0.0000000 0.7396784 0.0000000 -1.8965921 19 N -3.2783072 0.0000000 -1.1119290 0.0000000 -1.5373825 0.0000000 -0.7396784 0.0000000 -1.8965921 20 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 1.1119290 0.0000000 0.7396784 -1.8965921 21 Mo 3.5013463 0.0000000 0.0000000 0.0000000 3.5013463 0.0000000 0.0000000 0.0000000 2.0507369 22 Mo 3.5013463 0.0000000 0.0000000 0.0000000 3.5013463 0.0000000 0.0000000 0.0000000 2.0507369 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (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 2026-01-07 23:01:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:01:43]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.604975030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.604975030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.867240800000000 Atomic positions (fractional): 1 Li 0.28661035155295 0.28661035155295 0.00000000000000 6.941 2 Li 0.21338964844705 0.78661035155295 0.50000000000000 6.941 3 Li 0.78661035155295 0.21338964844705 0.50000000000000 6.941 4 Li 0.71338964844705 0.71338964844705 0.00000000000000 6.941 5 Li 0.21338964844705 0.21338964844705 0.50000000000000 6.941 6 Li 0.28661035155295 0.71338964844705 0.00000000000000 6.941 7 Li 0.71338964844705 0.28661035155295 0.00000000000000 6.941 8 Li 0.78661035155295 0.78661035155295 0.50000000000000 6.941 9 Li 0.00000000000000 0.50000000000000 0.42003256120419 6.941 10 Li 0.00000000000000 0.50000000000000 0.92003256120419 6.941 11 Li 0.50000000000000 0.00000000000000 0.57996743879581 6.941 12 Li 0.50000000000000 0.00000000000000 0.07996743879581 6.941 13 N 0.25799479785911 0.50000000000000 0.69828649652338 14.007 14 N 0.74200520214089 0.50000000000000 0.69828649652338 14.007 15 N 0.00000000000000 0.24200520214089 0.19828649652338 14.007 16 N 0.00000000000000 0.75799479785911 0.19828649652338 14.007 17 N 0.50000000000000 0.25799479785911 0.30171350347662 14.007 18 N 0.24200520214089 0.00000000000000 0.80171350347662 14.007 19 N 0.75799479785911 0.00000000000000 0.80171350347662 14.007 20 N 0.50000000000000 0.74200520214089 0.30171350347662 14.007 21 Mo 0.00000000000000 0.00000000000000 0.00000000000000 95.960 22 Mo 0.50000000000000 0.50000000000000 0.50000000000000 95.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.604975030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.604975030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.734481600000001 Atomic positions (fractional): 1 Li 0.28661035155295 0.28661035155295 0.00000000000000 6.941 > 1 2 Li 0.28661035155295 0.28661035155295 0.50000000000000 6.941 > 1 3 Li 0.21338964844705 0.78661035155295 0.25000000000000 6.941 > 3 4 Li 0.21338964844705 0.78661035155295 0.75000000000000 6.941 > 3 5 Li 0.78661035155295 0.21338964844705 0.25000000000000 6.941 > 5 6 Li 0.78661035155295 0.21338964844705 0.75000000000000 6.941 > 5 7 Li 0.71338964844705 0.71338964844705 0.00000000000000 6.941 > 7 8 Li 0.71338964844705 0.71338964844705 0.50000000000000 6.941 > 7 9 Li 0.21338964844705 0.21338964844705 0.25000000000000 6.941 > 9 10 Li 0.21338964844705 0.21338964844705 0.75000000000000 6.941 > 9 11 Li 0.28661035155295 0.71338964844705 0.00000000000000 6.941 > 11 12 Li 0.28661035155295 0.71338964844705 0.50000000000000 6.941 > 11 13 Li 0.71338964844705 0.28661035155295 0.00000000000000 6.941 > 13 14 Li 0.71338964844705 0.28661035155295 0.50000000000000 6.941 > 13 15 Li 0.78661035155295 0.78661035155295 0.25000000000000 6.941 > 15 16 Li 0.78661035155295 0.78661035155295 0.75000000000000 6.941 > 15 17 Li 0.00000000000000 0.50000000000000 0.21001628060210 6.941 > 17 18 Li 0.00000000000000 0.50000000000000 0.71001628060210 6.941 > 17 19 Li 0.00000000000000 0.50000000000000 0.46001628060210 6.941 > 19 20 Li 0.00000000000000 0.50000000000000 0.96001628060210 6.941 > 19 21 Li 0.50000000000000 0.00000000000000 0.28998371939790 6.941 > 21 22 Li 0.50000000000000 0.00000000000000 0.78998371939790 6.941 > 21 23 Li 0.50000000000000 0.00000000000000 0.03998371939790 6.941 > 23 24 Li 0.50000000000000 0.00000000000000 0.53998371939790 6.941 > 23 25 N 0.25799479785911 0.50000000000000 0.34914324826169 14.007 > 25 26 N 0.25799479785911 0.50000000000000 0.84914324826169 14.007 > 25 27 N 0.74200520214089 0.50000000000000 0.34914324826169 14.007 > 27 28 N 0.74200520214089 0.50000000000000 0.84914324826169 14.007 > 27 29 N 0.00000000000000 0.24200520214089 0.09914324826169 14.007 > 29 30 N 0.00000000000000 0.24200520214089 0.59914324826169 14.007 > 29 31 N 0.00000000000000 0.75799479785911 0.09914324826169 14.007 > 31 32 N 0.00000000000000 0.75799479785911 0.59914324826169 14.007 > 31 33 N 0.50000000000000 0.25799479785911 0.15085675173831 14.007 > 33 34 N 0.50000000000000 0.25799479785911 0.65085675173831 14.007 > 33 35 N 0.24200520214089 0.00000000000000 0.40085675173831 14.007 > 35 36 N 0.24200520214089 0.00000000000000 0.90085675173831 14.007 > 35 37 N 0.75799479785911 0.00000000000000 0.40085675173831 14.007 > 37 38 N 0.75799479785911 0.00000000000000 0.90085675173831 14.007 > 37 39 N 0.50000000000000 0.74200520214089 0.15085675173831 14.007 > 39 40 N 0.50000000000000 0.74200520214089 0.65085675173831 14.007 > 39 41 Mo 0.00000000000000 0.00000000000000 0.00000000000000 95.960 > 41 42 Mo 0.00000000000000 0.00000000000000 0.50000000000000 95.960 > 41 43 Mo 0.50000000000000 0.50000000000000 0.25000000000000 95.960 > 43 44 Mo 0.50000000000000 0.50000000000000 0.75000000000000 95.960 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4382899 0.0000000 0.0000000 0.0000000 5.4382899 0.0000000 0.0000000 0.0000000 4.5477100 -------------------------- Born effective charges -------------------------- 1 Li 0.8520871 0.4394346 -0.0103428 0.4394346 0.8520871 0.0103428 0.2416890 -0.2416890 0.9395593 2 Li 0.8520871 -0.4394346 -0.0103428 -0.4394346 0.8520871 -0.0103428 0.2416890 0.2416890 0.9395593 3 Li 0.8520871 -0.4394346 0.0103428 -0.4394346 0.8520871 0.0103428 -0.2416890 -0.2416890 0.9395593 4 Li 0.8520871 0.4394346 0.0103428 0.4394346 0.8520871 -0.0103428 -0.2416890 0.2416890 0.9395593 5 Li 0.8520871 0.4394346 -0.0103428 0.4394346 0.8520871 0.0103428 0.2416890 -0.2416890 0.9395593 6 Li 0.8520871 -0.4394346 -0.0103428 -0.4394346 0.8520871 -0.0103428 0.2416890 0.2416890 0.9395593 7 Li 0.8520871 -0.4394346 0.0103428 -0.4394346 0.8520871 0.0103428 -0.2416890 -0.2416890 0.9395593 8 Li 0.8520871 0.4394346 0.0103428 0.4394346 0.8520871 -0.0103428 -0.2416890 0.2416890 0.9395593 9 Li 1.3601815 0.0000000 0.0000000 0.0000000 1.3615030 0.0000000 0.0000000 0.0000000 0.8886973 10 Li 1.3615030 0.0000000 0.0000000 0.0000000 1.3601815 0.0000000 0.0000000 0.0000000 0.8886973 11 Li 1.3615030 0.0000000 0.0000000 0.0000000 1.3601815 0.0000000 0.0000000 0.0000000 0.8886973 12 Li 1.3601815 0.0000000 0.0000000 0.0000000 1.3615030 0.0000000 0.0000000 0.0000000 0.8886973 13 N -3.2783072 0.0000000 1.1119290 0.0000000 -1.5373825 0.0000000 0.7396784 0.0000000 -1.8965921 14 N -3.2783072 0.0000000 -1.1119290 0.0000000 -1.5373825 0.0000000 -0.7396784 0.0000000 -1.8965921 15 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 -1.1119290 0.0000000 -0.7396784 -1.8965921 16 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 1.1119290 0.0000000 0.7396784 -1.8965921 17 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 -1.1119290 0.0000000 -0.7396784 -1.8965921 18 N -3.2783072 0.0000000 1.1119290 0.0000000 -1.5373825 0.0000000 0.7396784 0.0000000 -1.8965921 19 N -3.2783072 0.0000000 -1.1119290 0.0000000 -1.5373825 0.0000000 -0.7396784 0.0000000 -1.8965921 20 N -1.5373825 0.0000000 0.0000000 0.0000000 -3.2783072 1.1119290 0.0000000 0.7396784 -1.8965921 21 Mo 3.5013463 0.0000000 0.0000000 0.0000000 3.5013463 0.0000000 0.0000000 0.0000000 2.0507369 22 Mo 3.5013463 0.0000000 0.0000000 0.0000000 3.5013463 0.0000000 0.0000000 0.0000000 2.0507369 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 10 ] 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: 0.70, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 90 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 5.157 ( 0.000 0.000 -0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 -0.000 0.000) 0.000 7.301 ( 0.000 -0.000 -0.000) 0.000 8.008 ( 0.000 0.000 -0.000) 0.000 8.174 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.392 ( 0.000 -0.000 -0.000) 0.000 8.392 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.538 ( 0.000 0.000 -0.000) 0.000 9.538 ( -0.000 0.000 -0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 -0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.853 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 11.335 ( 0.000 0.000 0.000) 0.000 11.434 ( 0.000 0.000 0.000) 0.000 11.434 ( 0.000 0.000 0.000) 0.000 11.546 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 -0.000 -0.000) 0.000 11.804 ( -0.000 0.000 0.000) 0.000 11.897 ( 0.000 0.000 0.000) 0.000 12.259 ( 0.000 0.000 0.000) 0.000 12.579 ( 0.000 0.000 0.000) 0.000 12.579 ( 0.000 0.000 0.000) 0.000 12.592 ( 0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 -0.000) 0.000 13.373 ( 0.000 0.000 0.000) 0.000 13.739 ( 0.000 0.000 0.000) 0.000 13.834 ( -0.000 0.000 -0.000) 0.000 13.834 ( 0.000 0.000 -0.000) 0.000 14.614 ( 0.000 0.000 0.000) 0.000 14.614 ( -0.000 0.000 0.000) 0.000 14.765 ( 0.000 0.000 -0.000) 0.000 14.765 ( 0.000 -0.000 0.000) 0.000 15.076 ( 0.000 0.000 0.000) 0.000 15.217 ( 0.000 0.000 0.000) 0.000 15.389 ( 0.000 0.000 -0.000) 0.000 15.472 ( 0.000 0.000 0.000) 0.000 15.472 ( 0.000 0.000 0.000) 0.000 16.213 ( 0.000 0.000 0.000) 0.000 16.422 ( 0.000 0.000 -0.000) 0.000 16.584 ( 0.000 0.000 -0.000) 0.000 16.652 ( 0.000 0.000 0.000) 0.000 16.743 ( 0.000 0.000 0.000) 0.000 18.021 ( 0.000 0.000 -0.000) 0.000 18.021 ( 0.000 0.000 -0.000) 0.000 18.077 ( -0.000 0.000 0.000) 0.000 18.077 ( -0.000 0.000 -0.000) 0.000 21.842 ( 0.000 0.000 0.000) 0.000 21.842 ( 0.000 0.000 -0.000) 0.000 22.195 ( 0.000 -0.000 0.000) 0.000 22.195 ( 0.000 -0.000 0.000) 0.000 22.653 ( 0.000 0.000 -0.000) 0.000 24.143 ( 0.000 0.000 0.000) 0.000 25.885 ( 0.000 0.000 0.000) 0.000 26.149 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 48.309 0.000 0.000) 48.309 0.956 ( 49.878 0.000 0.000) 49.878 1.429 ( 73.874 0.000 0.000) 73.874 5.024 ( -13.677 0.000 0.000) 13.677 5.189 ( 2.791 0.000 0.000) 2.791 5.282 ( -15.046 0.000 0.000) 15.046 7.311 ( 0.985 0.000 0.000) 0.985 7.625 ( 4.951 0.000 0.000) 4.951 7.844 ( -12.509 0.000 0.000) 12.509 8.065 ( -9.776 0.000 0.000) 9.776 8.109 ( -4.470 0.000 0.000) 4.470 8.277 ( -10.852 0.000 0.000) 10.852 8.387 ( 6.920 0.000 0.000) 6.920 8.415 ( 6.371 0.000 0.000) 6.371 8.627 ( 13.273 0.000 0.000) 13.273 8.967 ( 3.028 0.000 0.000) 3.028 9.458 ( -7.404 0.000 0.000) 7.404 9.514 ( -0.770 0.000 0.000) 0.770 9.903 ( -2.148 0.000 0.000) 2.148 10.265 ( -6.372 0.000 0.000) 6.372 10.348 ( 0.342 0.000 0.000) 0.342 10.711 ( 7.719 0.000 0.000) 7.719 10.989 ( 3.320 0.000 0.000) 3.320 11.004 ( 13.485 0.000 0.000) 13.485 11.198 ( -10.691 0.000 0.000) 10.691 11.363 ( -8.937 0.000 0.000) 8.937 11.455 ( -24.993 0.000 0.000) 24.993 11.467 ( 3.968 0.000 0.000) 3.968 11.499 ( 3.693 0.000 0.000) 3.693 11.982 ( 12.002 0.000 0.000) 12.002 12.220 ( 0.486 0.000 0.000) 0.486 12.282 ( 12.838 0.000 0.000) 12.838 12.555 ( -2.391 0.000 0.000) 2.391 12.600 ( 1.968 0.000 0.000) 1.968 12.609 ( 1.854 0.000 0.000) 1.854 13.273 ( -0.164 0.000 0.000) 0.164 13.346 ( -2.883 0.000 0.000) 2.883 13.742 ( 1.209 0.000 0.000) 1.209 13.805 ( -3.192 0.000 0.000) 3.192 14.583 ( 6.163 0.000 0.000) 6.163 14.585 ( -2.910 0.000 0.000) 2.910 14.712 ( -5.120 0.000 0.000) 5.120 14.767 ( 0.211 0.000 0.000) 0.211 14.965 ( -16.506 0.000 0.000) 16.506 15.055 ( -1.794 0.000 0.000) 1.794 15.343 ( -4.731 0.000 0.000) 4.731 15.562 ( 8.525 0.000 0.000) 8.525 15.735 ( 17.723 0.000 0.000) 17.723 15.847 ( 1.740 0.000 0.000) 1.740 16.240 ( 2.685 0.000 0.000) 2.685 16.450 ( 2.330 0.000 0.000) 2.330 16.587 ( 0.053 0.000 0.000) 0.053 16.645 ( -0.256 0.000 0.000) 0.256 16.757 ( 1.610 0.000 0.000) 1.610 18.015 ( -0.697 0.000 0.000) 0.697 18.060 ( -1.694 0.000 0.000) 1.694 18.083 ( 0.641 0.000 0.000) 0.641 18.729 ( -5.333 0.000 0.000) 5.333 21.852 ( 1.125 0.000 0.000) 1.125 22.179 ( -1.665 0.000 0.000) 1.665 22.205 ( 1.003 0.000 0.000) 1.003 22.627 ( -2.662 0.000 0.000) 2.662 24.165 ( 2.333 0.000 0.000) 2.333 25.083 ( -8.121 0.000 0.000) 8.121 25.941 ( 5.185 0.000 0.000) 5.185 26.156 ( 0.729 0.000 0.000) 0.729 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 47.353 0.000 0.000) 47.353 1.876 ( 47.086 0.000 0.000) 47.086 2.763 ( 66.151 0.000 0.000) 66.151 4.662 ( -24.005 0.000 0.000) 24.005 4.877 ( -27.148 0.000 0.000) 27.148 5.226 ( -0.205 0.000 0.000) 0.205 7.330 ( 0.671 0.000 0.000) 0.671 7.609 ( -11.677 0.000 0.000) 11.677 7.728 ( 4.164 0.000 0.000) 4.164 7.947 ( -0.705 0.000 0.000) 0.705 8.027 ( -4.411 0.000 0.000) 4.411 8.055 ( -10.543 0.000 0.000) 10.543 8.398 ( -7.957 0.000 0.000) 7.957 8.497 ( 3.239 0.000 0.000) 3.239 8.864 ( 11.303 0.000 0.000) 11.303 9.137 ( 14.910 0.000 0.000) 14.910 9.310 ( -6.764 0.000 0.000) 6.764 9.558 ( 5.553 0.000 0.000) 5.553 9.834 ( -4.456 0.000 0.000) 4.456 10.130 ( -7.839 0.000 0.000) 7.839 10.356 ( 0.255 0.000 0.000) 0.255 10.784 ( -12.266 0.000 0.000) 12.266 10.880 ( 0.811 0.000 0.000) 0.811 10.978 ( -11.852 0.000 0.000) 11.852 10.979 ( -24.506 0.000 0.000) 24.506 11.221 ( 6.062 0.000 0.000) 6.062 11.483 ( 17.131 0.000 0.000) 17.131 11.565 ( 3.833 0.000 0.000) 3.833 11.634 ( 14.662 0.000 0.000) 14.662 12.139 ( -6.655 0.000 0.000) 6.655 12.184 ( 9.003 0.000 0.000) 9.003 12.500 ( -3.016 0.000 0.000) 3.016 12.506 ( 8.157 0.000 0.000) 8.157 12.640 ( 1.835 0.000 0.000) 1.835 12.671 ( 5.254 0.000 0.000) 5.254 13.258 ( -1.571 0.000 0.000) 1.571 13.264 ( -5.767 0.000 0.000) 5.767 13.704 ( -7.688 0.000 0.000) 7.688 13.818 ( 7.092 0.000 0.000) 7.092 14.518 ( -3.704 0.000 0.000) 3.704 14.590 ( -7.574 0.000 0.000) 7.574 14.687 ( -12.041 0.000 0.000) 12.041 14.721 ( 7.637 0.000 0.000) 7.637 14.780 ( 1.206 0.000 0.000) 1.206 15.021 ( -1.684 0.000 0.000) 1.684 15.220 ( -7.825 0.000 0.000) 7.825 15.754 ( 10.790 0.000 0.000) 10.790 15.897 ( 3.472 0.000 0.000) 3.472 16.048 ( 14.659 0.000 0.000) 14.659 16.305 ( 3.894 0.000 0.000) 3.894 16.471 ( -0.846 0.000 0.000) 0.846 16.572 ( -1.826 0.000 0.000) 1.826 16.674 ( 3.813 0.000 0.000) 3.813 16.801 ( 2.776 0.000 0.000) 2.776 17.996 ( -1.253 0.000 0.000) 1.253 18.018 ( -2.467 0.000 0.000) 2.467 18.103 ( 1.566 0.000 0.000) 1.566 18.589 ( -8.994 0.000 0.000) 8.994 21.884 ( 2.206 0.000 0.000) 2.206 22.135 ( -2.972 0.000 0.000) 2.972 22.234 ( 2.156 0.000 0.000) 2.156 22.557 ( -4.572 0.000 0.000) 4.572 24.232 ( 4.710 0.000 0.000) 4.710 24.896 ( -10.929 0.000 0.000) 10.929 26.048 ( 5.468 0.000 0.000) 5.468 26.173 ( 0.972 0.000 0.000) 0.972 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 45.283 0.000 0.000) 45.283 2.728 ( 42.692 0.000 0.000) 42.692 3.883 ( 49.051 0.000 0.000) 49.051 4.135 ( -31.278 0.000 0.000) 31.278 4.286 ( -32.725 0.000 0.000) 32.725 5.122 ( -12.327 0.000 0.000) 12.327 7.328 ( -0.720 0.000 0.000) 0.720 7.422 ( -7.579 0.000 0.000) 7.579 7.760 ( 1.267 0.000 0.000) 1.267 7.931 ( -5.826 0.000 0.000) 5.826 7.938 ( -1.082 0.000 0.000) 1.082 8.060 ( 10.313 0.000 0.000) 10.313 8.196 ( -11.537 0.000 0.000) 11.537 8.464 ( -6.871 0.000 0.000) 6.871 9.044 ( 7.664 0.000 0.000) 7.664 9.228 ( -2.805 0.000 0.000) 2.805 9.467 ( 18.173 0.000 0.000) 18.173 9.718 ( 11.523 0.000 0.000) 11.523 9.803 ( 3.537 0.000 0.000) 3.537 9.966 ( -9.569 0.000 0.000) 9.569 10.300 ( -10.298 0.000 0.000) 10.298 10.413 ( -21.514 0.000 0.000) 21.514 10.609 ( -9.663 0.000 0.000) 9.663 10.769 ( -9.963 0.000 0.000) 9.963 10.998 ( 7.340 0.000 0.000) 7.340 11.234 ( -3.212 0.000 0.000) 3.212 11.660 ( 6.373 0.000 0.000) 6.373 11.823 ( 16.532 0.000 0.000) 16.532 11.935 ( 13.438 0.000 0.000) 13.438 11.984 ( -9.330 0.000 0.000) 9.330 12.321 ( 5.547 0.000 0.000) 5.547 12.448 ( -2.448 0.000 0.000) 2.448 12.602 ( 3.081 0.000 0.000) 3.081 12.659 ( 0.128 0.000 0.000) 0.128 12.807 ( 8.378 0.000 0.000) 8.378 13.132 ( -7.938 0.000 0.000) 7.938 13.229 ( -0.288 0.000 0.000) 0.288 13.515 ( -11.822 0.000 0.000) 11.822 13.999 ( 11.311 0.000 0.000) 11.311 14.425 ( -9.826 0.000 0.000) 9.826 14.462 ( -1.892 0.000 0.000) 1.892 14.518 ( -5.898 0.000 0.000) 5.898 14.824 ( 3.585 0.000 0.000) 3.585 14.853 ( 6.032 0.000 0.000) 6.032 14.990 ( -1.753 0.000 0.000) 1.753 15.063 ( -8.346 0.000 0.000) 8.346 15.939 ( 7.792 0.000 0.000) 7.792 15.971 ( 3.846 0.000 0.000) 3.846 16.273 ( 8.763 0.000 0.000) 8.763 16.370 ( 2.400 0.000 0.000) 2.400 16.438 ( -1.538 0.000 0.000) 1.538 16.517 ( -3.792 0.000 0.000) 3.792 16.766 ( 5.040 0.000 0.000) 5.040 16.845 ( 1.342 0.000 0.000) 1.342 17.971 ( -1.171 0.000 0.000) 1.171 17.976 ( -1.742 0.000 0.000) 1.742 18.149 ( 3.610 0.000 0.000) 3.610 18.408 ( -9.557 0.000 0.000) 9.557 21.935 ( 3.128 0.000 0.000) 3.128 22.071 ( -3.671 0.000 0.000) 3.671 22.288 ( 3.494 0.000 0.000) 3.494 22.462 ( -5.253 0.000 0.000) 5.253 24.343 ( 7.067 0.000 0.000) 7.067 24.688 ( -10.739 0.000 0.000) 10.739 26.135 ( 3.520 0.000 0.000) 3.520 26.187 ( 0.340 0.000 0.000) 0.340 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( -37.269 0.000 0.000) 37.269 3.486 ( 37.269 0.000 0.000) 37.269 3.527 ( -41.423 0.000 0.000) 41.423 3.527 ( 41.423 0.000 0.000) 41.423 4.710 ( -31.979 0.000 0.000) 31.979 4.710 ( 31.979 0.000 0.000) 31.979 7.332 ( -2.038 0.000 0.000) 2.038 7.332 ( 2.038 0.000 0.000) 2.038 7.820 ( -5.102 0.000 0.000) 5.102 7.820 ( 5.102 0.000 0.000) 5.102 8.007 ( -7.600 0.000 0.000) 7.600 8.007 ( 7.600 0.000 0.000) 7.600 8.276 ( -11.676 0.000 0.000) 11.676 8.276 ( 11.676 0.000 0.000) 11.676 9.160 ( -4.732 0.000 0.000) 4.732 9.160 ( 4.732 0.000 0.000) 4.732 9.762 ( -12.511 0.000 0.000) 12.511 9.762 ( 12.511 0.000 0.000) 12.511 10.000 ( -16.058 0.000 0.000) 16.058 10.000 ( 16.058 0.000 0.000) 16.058 10.015 ( -19.592 0.000 0.000) 19.592 10.015 ( 19.592 0.000 0.000) 19.592 10.614 ( -5.890 0.000 0.000) 5.890 10.614 ( 5.890 0.000 0.000) 5.890 11.134 ( -6.715 0.000 0.000) 6.715 11.134 ( 6.715 0.000 0.000) 6.715 11.806 ( -8.920 0.000 0.000) 8.920 11.806 ( 8.920 0.000 0.000) 8.920 12.035 ( -3.928 0.000 0.000) 3.928 12.035 ( 3.928 0.000 0.000) 3.928 12.400 ( -3.028 0.000 0.000) 3.028 12.400 ( 3.028 0.000 0.000) 3.028 12.645 ( -1.550 0.000 0.000) 1.550 12.645 ( 1.550 0.000 0.000) 1.550 12.972 ( -8.813 0.000 0.000) 8.813 12.972 ( 8.813 0.000 0.000) 8.813 13.303 ( -8.684 0.000 0.000) 8.684 13.303 ( 8.684 0.000 0.000) 8.684 14.220 ( -11.619 0.000 0.000) 11.619 14.220 ( 11.619 0.000 0.000) 11.619 14.454 ( -1.217 0.000 0.000) 1.217 14.454 ( 1.217 0.000 0.000) 1.217 14.919 ( -6.506 0.000 0.000) 6.506 14.919 ( 6.506 0.000 0.000) 6.506 14.943 ( -3.489 0.000 0.000) 3.489 14.943 ( 3.489 0.000 0.000) 3.489 16.016 ( -0.113 0.000 0.000) 0.113 16.016 ( 0.113 0.000 0.000) 0.113 16.376 ( -2.238 0.000 0.000) 2.238 16.376 ( 2.238 0.000 0.000) 2.238 16.447 ( -2.766 0.000 0.000) 2.766 16.447 ( 2.766 0.000 0.000) 2.766 16.839 ( -2.186 0.000 0.000) 2.186 16.839 ( 2.186 0.000 0.000) 2.186 17.959 ( -0.037 0.000 0.000) 0.037 17.959 ( 0.037 0.000 0.000) 0.037 18.248 ( -6.983 0.000 0.000) 6.983 18.248 ( 6.983 0.000 0.000) 6.983 22.000 ( -3.687 0.000 0.000) 3.687 22.000 ( 3.687 0.000 0.000) 3.687 22.366 ( -4.727 0.000 0.000) 4.727 22.366 ( 4.727 0.000 0.000) 4.727 24.498 ( -9.204 0.000 0.000) 9.204 24.498 ( 9.204 0.000 0.000) 9.204 26.180 ( -1.274 0.000 0.000) 1.274 26.180 ( 1.274 0.000 0.000) 1.274 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 28.492 28.492 0.000) 40.293 1.285 ( 33.201 33.201 0.000) 46.953 2.153 ( 54.400 54.400 0.000) 76.933 4.958 ( -10.345 -10.345 0.000) 14.630 5.167 ( 0.948 0.948 0.000) 1.341 5.168 ( -12.019 -12.019 0.000) 16.998 7.394 ( 0.372 0.372 0.000) 0.526 7.454 ( -6.405 -6.405 0.000) 9.058 7.636 ( -16.020 -16.020 0.000) 22.656 8.031 ( -3.125 -3.125 0.000) 4.420 8.099 ( -3.378 -3.378 0.000) 4.777 8.182 ( -6.864 -6.864 0.000) 9.707 8.465 ( 3.959 3.959 0.000) 5.598 8.542 ( 11.975 11.975 0.000) 16.936 8.754 ( 10.336 10.336 0.000) 14.618 8.916 ( -3.539 -3.539 0.000) 5.005 9.428 ( -2.805 -2.805 0.000) 3.967 9.514 ( 0.859 0.859 0.000) 1.215 9.916 ( 0.791 0.791 0.000) 1.118 10.204 ( -5.085 -5.085 0.000) 7.191 10.370 ( 1.419 1.419 0.000) 2.007 10.784 ( 3.162 3.162 0.000) 4.472 10.977 ( -17.709 -17.709 0.000) 25.045 11.053 ( 3.706 3.706 0.000) 5.241 11.082 ( 7.324 7.324 0.000) 10.358 11.147 ( -6.318 -6.318 0.000) 8.935 11.447 ( 4.603 4.603 0.000) 6.509 11.586 ( 4.460 4.460 0.000) 6.307 11.737 ( 2.354 2.354 0.000) 3.329 11.763 ( -7.134 -7.134 0.000) 10.089 12.227 ( -0.843 -0.843 0.000) 1.193 12.443 ( 13.274 13.274 0.000) 18.773 12.559 ( -0.543 -0.543 0.000) 0.768 12.595 ( 0.416 0.416 0.000) 0.588 12.617 ( 1.031 1.031 0.000) 1.458 13.255 ( -1.831 -1.831 0.000) 2.590 13.344 ( -0.460 -0.460 0.000) 0.651 13.735 ( 0.158 0.158 0.000) 0.223 13.877 ( 2.147 2.147 0.000) 3.037 14.519 ( -0.528 -0.528 0.000) 0.747 14.602 ( -0.448 -0.448 0.000) 0.634 14.685 ( -3.582 -3.582 0.000) 5.066 14.735 ( -2.903 -2.903 0.000) 4.106 14.824 ( -10.582 -10.582 0.000) 14.965 15.044 ( -1.232 -1.232 0.000) 1.742 15.291 ( -4.663 -4.663 0.000) 6.595 15.706 ( 10.595 10.595 0.000) 14.984 15.819 ( 9.353 9.353 0.000) 13.227 15.857 ( 1.288 1.288 0.000) 1.822 16.260 ( 2.130 2.130 0.000) 3.012 16.482 ( 2.925 2.925 0.000) 4.136 16.546 ( -1.697 -1.697 0.000) 2.400 16.635 ( -0.660 -0.660 0.000) 0.934 16.766 ( 1.148 1.148 0.000) 1.623 17.951 ( -6.354 -6.354 0.000) 8.987 18.143 ( 5.919 5.919 0.000) 8.371 18.180 ( 5.162 5.162 0.000) 7.300 18.632 ( -7.637 -7.637 0.000) 10.801 21.836 ( -0.319 -0.319 0.000) 0.451 22.145 ( -2.575 -2.575 0.000) 3.642 22.231 ( 1.811 1.811 0.000) 2.561 22.620 ( -1.646 -1.646 0.000) 2.328 24.186 ( 2.161 2.161 0.000) 3.055 25.017 ( -6.685 -6.685 0.000) 9.453 25.987 ( 4.241 4.241 0.000) 5.997 26.164 ( 0.774 0.774 0.000) 1.095 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 44.922 3.882 0.000) 45.089 2.012 ( 41.389 18.885 0.000) 45.494 3.215 ( 55.194 38.758 0.000) 67.443 4.627 ( -23.161 -5.059 0.000) 23.707 4.828 ( -23.747 -5.435 0.000) 24.361 5.216 ( 2.028 0.169 0.000) 2.035 7.240 ( -8.549 -8.787 0.000) 12.259 7.333 ( -15.148 -22.119 0.000) 26.809 7.476 ( 0.629 -21.746 0.000) 21.755 7.959 ( -2.943 5.726 0.000) 6.438 8.000 ( -6.740 -5.805 0.000) 8.895 8.145 ( 3.486 3.325 0.000) 4.818 8.467 ( -5.433 4.704 0.000) 7.186 8.653 ( -0.885 12.874 0.000) 12.905 8.955 ( 10.177 8.455 0.000) 13.231 8.991 ( 11.891 -9.064 0.000) 14.952 9.381 ( -1.052 4.623 0.000) 4.741 9.570 ( 4.950 0.940 0.000) 5.038 9.926 ( 1.144 8.535 0.000) 8.611 10.090 ( -7.013 -4.103 0.000) 8.125 10.381 ( -2.932 1.276 0.000) 3.198 10.514 ( -18.340 -18.444 0.000) 26.011 10.947 ( 4.723 8.299 0.000) 9.549 10.961 ( -10.603 -1.313 0.000) 10.684 11.132 ( 3.369 -7.434 0.000) 8.162 11.177 ( -8.246 10.756 0.000) 13.553 11.534 ( 4.636 3.006 0.000) 5.526 11.631 ( 6.101 5.022 0.000) 7.902 11.662 ( 10.023 2.736 0.000) 10.389 11.914 ( 3.117 -13.469 0.000) 13.825 12.244 ( 3.583 0.658 0.000) 3.643 12.524 ( -2.328 2.453 0.000) 3.381 12.606 ( 2.381 6.605 0.000) 7.021 12.625 ( 1.937 -1.613 0.000) 2.521 12.683 ( 7.065 2.957 0.000) 7.659 13.205 ( -3.503 -2.507 0.000) 4.308 13.323 ( -1.600 3.261 0.000) 3.632 13.774 ( 2.620 0.664 0.000) 2.703 13.848 ( -2.691 7.838 0.000) 8.287 14.487 ( -3.339 -2.438 0.000) 4.135 14.551 ( -10.003 -5.370 0.000) 11.353 14.613 ( -6.793 -5.252 0.000) 8.587 14.666 ( 6.674 -5.222 0.000) 8.474 14.745 ( -0.035 -3.059 0.000) 3.060 15.014 ( -1.698 -0.928 0.000) 1.935 15.177 ( -7.181 -3.985 0.000) 8.213 15.876 ( 7.755 11.184 0.000) 13.609 15.900 ( 3.154 0.622 0.000) 3.214 16.060 ( 13.636 1.282 0.000) 13.696 16.317 ( 3.638 0.802 0.000) 3.725 16.514 ( -0.688 4.305 0.000) 4.360 16.526 ( -0.988 -3.036 0.000) 3.193 16.659 ( 4.108 -1.478 0.000) 4.365 16.798 ( 2.095 0.229 0.000) 2.108 17.839 ( -4.976 -11.025 0.000) 12.095 18.158 ( -4.147 12.955 0.000) 13.602 18.266 ( 3.948 9.541 0.000) 10.326 18.497 ( -5.811 -9.023 0.000) 10.733 21.850 ( 1.691 -2.537 0.000) 3.049 22.090 ( -3.272 -3.742 0.000) 4.971 22.269 ( 2.266 2.691 0.000) 3.518 22.564 ( -4.004 0.049 0.000) 4.004 24.247 ( 4.361 1.640 0.000) 4.659 24.855 ( -9.712 -4.179 0.000) 10.573 26.077 ( 4.771 2.808 0.000) 5.536 26.182 ( 1.053 0.897 0.000) 1.383 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 43.071 -1.774 0.000) 43.107 2.806 ( 41.764 10.791 0.000) 43.135 4.112 ( -30.807 -2.901 0.000) 30.944 4.165 ( 39.084 25.410 0.000) 46.618 4.292 ( -27.639 1.011 0.000) 27.657 5.174 ( -8.159 5.538 0.000) 9.861 7.083 ( -7.486 -21.169 0.000) 22.453 7.093 ( -9.416 -26.700 0.000) 28.312 7.519 ( 5.066 -22.700 0.000) 23.258 7.846 ( -9.395 -11.814 0.000) 15.094 7.967 ( 3.956 10.645 0.000) 11.356 8.268 ( 8.384 8.818 0.000) 12.167 8.298 ( -10.689 9.306 0.000) 14.172 8.584 ( -6.165 7.280 0.000) 9.540 9.122 ( 7.204 7.918 0.000) 10.705 9.196 ( 6.580 -2.722 0.000) 7.120 9.430 ( 7.353 1.591 0.000) 7.523 9.677 ( 6.102 -0.740 0.000) 6.147 9.931 ( -10.627 -5.366 0.000) 11.905 10.028 ( 10.918 15.296 0.000) 18.793 10.069 ( -18.769 -13.896 0.000) 23.353 10.437 ( -0.378 2.083 0.000) 2.117 10.771 ( -8.784 0.790 0.000) 8.819 10.825 ( -16.913 13.762 0.000) 21.804 11.090 ( 4.906 9.559 0.000) 10.744 11.188 ( 1.899 -4.428 0.000) 4.818 11.658 ( 1.085 0.588 0.000) 1.234 11.742 ( 7.493 -9.165 0.000) 11.839 11.905 ( 0.580 -5.029 0.000) 5.063 11.911 ( 10.614 -3.115 0.000) 11.062 12.350 ( 6.257 1.563 0.000) 6.449 12.484 ( -1.871 3.379 0.000) 3.863 12.619 ( -0.012 1.846 0.000) 1.846 12.648 ( 0.116 -1.455 0.000) 1.460 12.820 ( 7.398 1.661 0.000) 7.582 13.114 ( -6.421 -1.155 0.000) 6.524 13.313 ( 1.980 7.896 0.000) 8.140 13.653 ( -11.245 12.791 0.000) 17.031 13.964 ( 10.525 -3.258 0.000) 11.018 14.367 ( -9.487 -5.660 0.000) 11.047 14.436 ( -1.515 -2.402 0.000) 2.840 14.498 ( -5.036 -1.715 0.000) 5.320 14.769 ( 2.563 -5.115 0.000) 5.721 14.791 ( 5.458 -6.500 0.000) 8.488 14.982 ( -1.701 -1.199 0.000) 2.081 15.035 ( -7.139 -2.575 0.000) 7.589 15.970 ( 3.875 0.379 0.000) 3.893 15.996 ( 4.376 5.184 0.000) 6.784 16.279 ( 8.870 0.937 0.000) 8.919 16.383 ( 2.712 0.353 0.000) 2.735 16.482 ( -1.603 4.247 0.000) 4.539 16.498 ( -1.946 -1.063 0.000) 2.217 16.759 ( 5.271 -0.756 0.000) 5.325 16.833 ( 1.219 -0.785 0.000) 1.449 17.783 ( -0.275 -12.785 0.000) 12.788 18.014 ( -9.691 1.639 0.000) 9.829 18.330 ( 2.836 11.690 0.000) 12.030 18.421 ( -2.721 2.628 0.000) 3.783 21.894 ( 2.852 -3.574 0.000) 4.572 22.024 ( -3.631 -4.198 0.000) 5.551 22.320 ( 3.207 2.727 0.000) 4.210 22.478 ( -4.755 1.217 0.000) 4.908 24.351 ( 6.535 0.764 0.000) 6.579 24.668 ( -9.800 -2.104 0.000) 10.023 26.154 ( 3.140 1.875 0.000) 3.657 26.198 ( 0.459 1.083 0.000) 1.176 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( -22.801 -2.674 0.000) 22.958 3.412 ( 22.801 -2.674 0.000) 22.958 3.628 ( -24.279 6.111 0.000) 25.036 3.628 ( 24.279 6.111 0.000) 25.036 4.854 ( -26.425 14.190 0.000) 29.994 4.854 ( 26.425 14.190 0.000) 29.994 7.002 ( -0.090 -26.959 0.000) 26.959 7.002 ( 0.090 -26.959 0.000) 26.959 7.662 ( -9.335 -18.278 0.000) 20.523 7.662 ( 9.335 -18.278 0.000) 20.523 8.100 ( -9.493 11.909 0.000) 15.230 8.100 ( 9.493 11.909 0.000) 15.230 8.436 ( -8.894 8.514 0.000) 12.312 8.436 ( 8.894 8.514 0.000) 12.312 9.219 ( -2.753 6.289 0.000) 6.866 9.219 ( 2.753 6.289 0.000) 6.866 9.658 ( -15.448 -10.231 0.000) 18.529 9.658 ( 15.448 -10.231 0.000) 18.529 9.820 ( -9.249 -2.697 0.000) 9.634 9.820 ( 9.249 -2.697 0.000) 9.634 10.300 ( -14.911 12.605 0.000) 19.525 10.300 ( 14.911 12.605 0.000) 19.525 10.658 ( -1.495 5.512 0.000) 5.711 10.658 ( 1.495 5.512 0.000) 5.711 11.178 ( -3.157 4.297 0.000) 5.332 11.178 ( 3.157 4.297 0.000) 5.332 11.711 ( -4.568 -7.809 0.000) 9.047 11.711 ( 4.568 -7.809 0.000) 9.047 11.994 ( -2.337 -4.656 0.000) 5.210 11.994 ( 2.337 -4.656 0.000) 5.210 12.443 ( -3.146 3.437 0.000) 4.659 12.443 ( 3.146 3.437 0.000) 4.659 12.629 ( -1.351 -1.149 0.000) 1.773 12.629 ( 1.351 -1.149 0.000) 1.773 12.970 ( -8.231 -0.140 0.000) 8.232 12.970 ( 8.231 -0.140 0.000) 8.232 13.433 ( -10.330 12.317 0.000) 16.075 13.433 ( 10.330 12.317 0.000) 16.075 14.174 ( -11.018 -4.480 0.000) 11.894 14.174 ( 11.018 -4.480 0.000) 11.894 14.436 ( -1.561 -1.633 0.000) 2.259 14.436 ( 1.561 -1.633 0.000) 2.259 14.829 ( -2.356 -7.238 0.000) 7.612 14.829 ( 2.356 -7.238 0.000) 7.612 14.956 ( -0.011 -0.730 0.000) 0.731 14.956 ( 0.011 -0.730 0.000) 0.731 16.025 ( -1.247 1.254 0.000) 1.769 16.025 ( 1.247 1.254 0.000) 1.769 16.388 ( -2.757 0.285 0.000) 2.772 16.388 ( 2.757 0.285 0.000) 2.772 16.471 ( -0.408 2.807 0.000) 2.836 16.471 ( 0.408 2.807 0.000) 2.836 16.830 ( -1.879 -0.839 0.000) 2.058 16.830 ( 1.879 -0.839 0.000) 2.058 17.846 ( -6.832 -8.710 0.000) 11.070 17.846 ( 6.832 -8.710 0.000) 11.070 18.377 ( -2.228 10.160 0.000) 10.401 18.377 ( 2.228 10.160 0.000) 10.401 21.955 ( -3.501 -4.082 0.000) 5.378 21.955 ( 3.501 -4.082 0.000) 5.378 22.391 ( -4.274 2.137 0.000) 4.778 22.391 ( 4.274 2.137 0.000) 4.778 24.493 ( -8.480 -0.477 0.000) 8.494 24.493 ( 8.480 -0.477 0.000) 8.494 26.193 ( -1.074 1.367 0.000) 1.739 26.193 ( 1.074 1.367 0.000) 1.739 ======================= Grid point 20 (10/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 26.984 26.984 0.000) 38.160 2.488 ( 29.992 29.992 0.000) 42.416 4.008 ( 41.978 41.978 0.000) 59.366 4.421 ( -16.857 -16.857 0.000) 23.840 4.651 ( -13.899 -13.899 0.000) 19.657 5.265 ( 4.414 4.414 0.000) 6.242 6.906 ( -21.394 -21.394 0.000) 30.255 6.974 ( -19.781 -19.781 0.000) 27.975 7.154 ( -8.169 -8.169 0.000) 11.552 7.821 ( -12.357 -12.357 0.000) 17.475 8.067 ( 4.561 4.561 0.000) 6.451 8.227 ( 6.720 6.720 0.000) 9.504 8.506 ( -1.329 -1.329 0.000) 1.880 8.712 ( -5.480 -5.480 0.000) 7.750 9.027 ( 10.801 10.801 0.000) 15.275 9.139 ( 10.088 10.088 0.000) 14.266 9.490 ( 6.408 6.408 0.000) 9.063 9.584 ( 1.249 1.249 0.000) 1.766 9.973 ( -9.157 -9.157 0.000) 12.950 10.108 ( 9.968 9.968 0.000) 14.097 10.131 ( -17.002 -17.002 0.000) 24.045 10.453 ( 2.828 2.828 0.000) 3.999 10.926 ( -4.799 -4.799 0.000) 6.787 11.021 ( -0.467 -0.467 0.000) 0.660 11.116 ( 7.730 7.730 0.000) 10.932 11.311 ( -2.273 -2.273 0.000) 3.215 11.498 ( -0.547 -0.547 0.000) 0.774 11.706 ( 1.349 1.349 0.000) 1.908 11.727 ( 4.964 4.964 0.000) 7.020 11.782 ( -0.643 -0.643 0.000) 0.909 12.276 ( 3.702 3.702 0.000) 5.236 12.575 ( 0.995 0.995 0.000) 1.407 12.586 ( -0.840 -0.840 0.000) 1.187 12.653 ( 0.809 0.809 0.000) 1.144 12.793 ( 4.886 4.886 0.000) 6.909 13.162 ( -2.577 -2.577 0.000) 3.645 13.391 ( 4.351 4.351 0.000) 6.153 13.781 ( 2.549 2.549 0.000) 3.605 13.997 ( 4.340 4.340 0.000) 6.137 14.398 ( -8.588 -8.588 0.000) 12.146 14.428 ( -4.572 -4.572 0.000) 6.466 14.536 ( -3.911 -3.911 0.000) 5.531 14.589 ( -0.331 -0.331 0.000) 0.468 14.686 ( -2.679 -2.679 0.000) 3.789 14.982 ( -2.310 -2.310 0.000) 3.266 15.082 ( -5.928 -5.928 0.000) 8.383 15.931 ( 2.795 2.795 0.000) 3.953 16.067 ( 3.886 3.886 0.000) 5.496 16.135 ( 10.061 10.061 0.000) 14.228 16.330 ( 0.837 0.837 0.000) 1.184 16.500 ( 0.069 0.069 0.000) 0.097 16.620 ( 4.081 4.081 0.000) 5.771 16.621 ( 0.071 0.071 0.000) 0.101 16.812 ( 0.921 0.921 0.000) 1.303 17.651 ( -8.110 -8.110 0.000) 11.469 18.236 ( -12.602 -12.602 0.000) 17.821 18.411 ( 7.431 7.431 0.000) 10.509 18.425 ( 7.029 7.029 0.000) 9.940 21.818 ( -0.561 -0.561 0.000) 0.793 22.013 ( -4.159 -4.159 0.000) 5.882 22.320 ( 2.662 2.662 0.000) 3.765 22.544 ( -2.103 -2.103 0.000) 2.974 24.294 ( 3.320 3.320 0.000) 4.696 24.748 ( -6.773 -6.773 0.000) 9.579 26.140 ( 3.479 3.479 0.000) 4.921 26.204 ( 1.258 1.258 0.000) 1.779 ======================= Grid point 21 (11/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 35.607 10.850 0.000) 37.224 3.099 ( 33.377 19.528 0.000) 38.670 4.010 ( -25.927 -8.014 0.000) 27.137 4.287 ( -24.454 -1.289 0.000) 24.488 4.723 ( 32.069 29.706 0.000) 43.714 5.321 ( -0.465 9.088 0.000) 9.100 6.570 ( -12.908 -26.592 0.000) 29.560 6.628 ( -14.831 -25.119 0.000) 29.171 7.121 ( 4.070 -17.508 0.000) 17.975 7.555 ( -15.040 -17.559 0.000) 23.119 8.162 ( 6.224 9.097 0.000) 11.023 8.372 ( 7.573 3.277 0.000) 8.251 8.432 ( -5.658 3.992 0.000) 6.925 8.607 ( -5.563 -3.911 0.000) 6.801 9.214 ( 8.431 4.731 0.000) 9.668 9.313 ( 7.533 11.201 0.000) 13.498 9.545 ( 0.561 7.654 0.000) 7.674 9.669 ( 5.751 -0.112 0.000) 5.753 9.717 ( -14.630 -13.104 0.000) 19.640 9.913 ( -8.119 -5.862 0.000) 10.014 10.304 ( 10.857 13.666 0.000) 17.454 10.498 ( 1.616 4.122 0.000) 4.427 10.809 ( -5.117 2.329 0.000) 5.622 11.027 ( -14.845 7.083 0.000) 16.448 11.118 ( 8.605 -0.802 0.000) 8.642 11.299 ( 4.871 8.740 0.000) 10.005 11.558 ( 0.522 -5.828 0.000) 5.852 11.680 ( -3.956 0.946 0.000) 4.067 11.815 ( 4.102 -5.212 0.000) 6.633 11.826 ( 4.758 -4.899 0.000) 6.829 12.380 ( 6.582 2.283 0.000) 6.967 12.544 ( -1.634 2.130 0.000) 2.684 12.605 ( 0.236 -2.508 0.000) 2.519 12.654 ( -1.225 1.456 0.000) 1.903 12.855 ( 3.306 0.914 0.000) 3.430 13.085 ( -5.824 -2.480 0.000) 6.330 13.510 ( 8.603 12.390 0.000) 15.084 13.885 ( 5.234 2.775 0.000) 5.924 13.954 ( -5.862 11.073 0.000) 12.529 14.249 ( -7.704 -5.835 0.000) 9.664 14.371 ( -0.133 -5.107 0.000) 5.108 14.458 ( -3.953 -2.460 0.000) 4.656 14.642 ( 3.857 -7.488 0.000) 8.423 14.659 ( 0.064 -5.902 0.000) 5.903 14.934 ( -2.523 -3.878 0.000) 4.627 14.964 ( -5.812 -5.119 0.000) 7.745 16.000 ( 4.075 2.864 0.000) 4.980 16.096 ( 0.099 4.567 0.000) 4.569 16.310 ( 6.409 2.018 0.000) 6.719 16.354 ( 1.552 -2.559 0.000) 2.993 16.514 ( 1.225 2.369 0.000) 2.667 16.576 ( -2.110 4.976 0.000) 5.405 16.741 ( 5.496 -0.869 0.000) 5.564 16.824 ( 0.151 -0.340 0.000) 0.372 17.569 ( 0.425 -8.999 0.000) 9.009 17.950 ( -15.675 -8.016 0.000) 17.605 18.528 ( 3.778 8.847 0.000) 9.620 18.529 ( 4.064 7.538 0.000) 8.564 21.829 ( 1.545 -2.811 0.000) 3.208 21.937 ( -3.791 -4.580 0.000) 5.945 22.371 ( 2.800 2.468 0.000) 3.732 22.491 ( -3.261 -0.068 0.000) 3.262 24.373 ( 4.984 1.616 0.000) 5.239 24.613 ( -7.268 -3.552 0.000) 8.089 26.197 ( 2.363 2.481 0.000) 3.426 26.224 ( 0.734 1.530 0.000) 1.697 ======================= Grid point 22 (12/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( -29.532 2.126 0.000) 29.608 3.409 ( 29.532 2.126 0.000) 29.608 3.760 ( -27.938 8.252 0.000) 29.131 3.760 ( 27.938 8.252 0.000) 29.131 5.180 ( -15.585 18.279 0.000) 24.021 5.180 ( 15.585 18.279 0.000) 24.021 6.460 ( -1.884 -28.337 0.000) 28.399 6.460 ( 1.884 -28.337 0.000) 28.399 7.286 ( -12.425 -19.899 0.000) 23.460 7.286 ( 12.425 -19.899 0.000) 23.460 8.301 ( -7.872 8.562 0.000) 11.631 8.301 ( 7.872 8.562 0.000) 11.631 8.499 ( -5.945 -1.303 0.000) 6.086 8.499 ( 5.945 -1.303 0.000) 6.086 9.352 ( -5.078 5.226 0.000) 7.287 9.352 ( 5.078 5.226 0.000) 7.287 9.549 ( -1.484 0.992 0.000) 1.785 9.549 ( 1.484 0.992 0.000) 1.785 9.776 ( -6.295 -3.098 0.000) 7.016 9.776 ( 6.295 -3.098 0.000) 7.016 10.479 ( -5.380 7.973 0.000) 9.618 10.479 ( 5.380 7.973 0.000) 9.618 10.800 ( -6.185 7.049 0.000) 9.378 10.800 ( 6.185 7.049 0.000) 9.378 11.288 ( -7.176 7.145 0.000) 10.127 11.288 ( 7.176 7.145 0.000) 10.127 11.584 ( -4.645 -4.492 0.000) 6.462 11.584 ( 4.645 -4.492 0.000) 6.462 11.874 ( -0.498 -7.358 0.000) 7.375 11.874 ( 0.498 -7.358 0.000) 7.375 12.493 ( -4.528 1.607 0.000) 4.805 12.493 ( 4.528 1.607 0.000) 4.805 12.617 ( -1.689 -0.045 0.000) 1.689 12.617 ( 1.689 -0.045 0.000) 1.689 12.955 ( -6.968 -1.996 0.000) 7.249 12.955 ( 6.968 -1.996 0.000) 7.249 13.713 ( -12.317 16.028 0.000) 20.214 13.713 ( 12.317 16.028 0.000) 20.214 14.085 ( -9.625 -3.750 0.000) 10.329 14.085 ( 9.625 -3.750 0.000) 10.329 14.398 ( -2.377 -2.315 0.000) 3.319 14.398 ( 2.377 -2.315 0.000) 3.319 14.677 ( -0.650 -8.108 0.000) 8.134 14.677 ( 0.650 -8.108 0.000) 8.134 14.903 ( -0.089 -4.933 0.000) 4.934 14.903 ( 0.089 -4.933 0.000) 4.934 16.069 ( -2.843 3.335 0.000) 4.382 16.069 ( 2.843 3.335 0.000) 4.382 16.370 ( -0.511 -1.988 0.000) 2.053 16.370 ( 0.511 -1.988 0.000) 2.053 16.542 ( -1.641 4.106 0.000) 4.422 16.542 ( 1.641 4.106 0.000) 4.422 16.810 ( -1.846 -1.207 0.000) 2.205 16.810 ( 1.846 -1.207 0.000) 2.205 17.684 ( -11.232 -7.885 0.000) 13.723 17.684 ( 11.232 -7.885 0.000) 13.723 18.565 ( -0.139 9.009 0.000) 9.010 18.565 ( 0.139 9.009 0.000) 9.010 21.872 ( -2.939 -4.161 0.000) 5.095 21.872 ( 2.939 -4.161 0.000) 5.095 22.428 ( -3.227 1.518 0.000) 3.566 22.428 ( 3.227 1.518 0.000) 3.566 24.482 ( -6.434 -0.700 0.000) 6.472 24.482 ( 6.434 -0.700 0.000) 6.472 26.226 ( -0.643 1.889 0.000) 1.995 26.226 ( 0.643 1.889 0.000) 1.995 ======================= Grid point 30 (13/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 20.738 20.738 0.000) 29.328 3.511 ( 22.811 22.811 0.000) 32.259 3.806 ( -13.678 -13.678 0.000) 19.343 4.197 ( -9.224 -9.224 0.000) 13.044 5.216 ( 20.937 20.937 0.000) 29.610 5.471 ( 5.507 5.507 0.000) 7.788 6.146 ( -16.688 -16.688 0.000) 23.600 6.199 ( -18.498 -18.498 0.000) 26.161 6.905 ( -4.445 -4.445 0.000) 6.286 7.219 ( -16.905 -16.905 0.000) 23.907 8.310 ( 6.833 6.833 0.000) 9.664 8.414 ( 1.343 1.343 0.000) 1.900 8.448 ( -1.516 -1.516 0.000) 2.144 8.524 ( -4.015 -4.015 0.000) 5.677 9.324 ( 5.885 5.885 0.000) 8.323 9.515 ( 8.981 8.981 0.000) 12.701 9.516 ( -7.210 -7.210 0.000) 10.196 9.614 ( 0.610 0.610 0.000) 0.863 9.700 ( 2.049 2.049 0.000) 2.898 9.795 ( -6.374 -6.374 0.000) 9.014 10.537 ( 9.789 9.789 0.000) 13.844 10.576 ( 3.627 3.627 0.000) 5.129 10.822 ( 0.289 0.289 0.000) 0.409 11.034 ( -6.270 -6.270 0.000) 8.867 11.211 ( 9.667 9.667 0.000) 13.671 11.391 ( 6.288 6.288 0.000) 8.892 11.572 ( -0.986 -0.986 0.000) 1.395 11.660 ( -3.707 -3.707 0.000) 5.243 11.725 ( -1.743 -1.743 0.000) 2.465 11.758 ( -1.930 -1.930 0.000) 2.729 12.445 ( 4.317 4.317 0.000) 6.105 12.554 ( -0.564 -0.564 0.000) 0.798 12.582 ( 0.352 0.352 0.000) 0.498 12.672 ( 0.059 0.059 0.000) 0.083 12.837 ( -1.590 -1.590 0.000) 2.248 13.003 ( -6.197 -6.197 0.000) 8.764 13.757 ( 13.098 13.098 0.000) 18.523 13.936 ( 5.384 5.384 0.000) 7.614 14.162 ( -3.859 -3.859 0.000) 5.457 14.193 ( 5.457 5.457 0.000) 7.718 14.224 ( -4.939 -4.939 0.000) 6.984 14.408 ( -2.713 -2.713 0.000) 3.837 14.558 ( -1.584 -1.584 0.000) 2.241 14.567 ( -3.187 -3.187 0.000) 4.507 14.845 ( -5.041 -5.041 0.000) 7.130 14.849 ( -6.332 -6.332 0.000) 8.954 16.070 ( 4.117 4.117 0.000) 5.822 16.151 ( 1.082 1.082 0.000) 1.530 16.320 ( -0.677 -0.677 0.000) 0.957 16.337 ( 0.455 0.455 0.000) 0.644 16.565 ( 2.711 2.711 0.000) 3.835 16.634 ( 0.381 0.381 0.000) 0.538 16.747 ( 1.789 1.789 0.000) 2.530 16.813 ( -0.938 -0.938 0.000) 1.327 17.476 ( -0.175 -0.175 0.000) 0.248 17.757 ( -11.288 -11.288 0.000) 15.963 18.653 ( 4.805 4.805 0.000) 6.796 18.657 ( 4.637 4.637 0.000) 6.558 21.797 ( -0.487 -0.487 0.000) 0.688 21.859 ( -3.470 -3.470 0.000) 4.907 22.413 ( 1.941 1.941 0.000) 2.745 22.477 ( -1.304 -1.304 0.000) 1.845 24.412 ( 2.559 2.559 0.000) 3.619 24.540 ( -3.927 -3.927 0.000) 5.553 26.239 ( 1.708 1.708 0.000) 2.415 26.250 ( 1.025 1.025 0.000) 1.449 ======================= Grid point 31 (14/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( -20.382 4.160 0.000) 20.802 3.476 ( 20.382 4.160 0.000) 20.802 3.925 ( -19.028 7.956 0.000) 20.625 3.925 ( 19.028 7.956 0.000) 20.625 5.479 ( -6.203 11.944 0.000) 13.459 5.479 ( 6.203 11.944 0.000) 13.459 5.992 ( -1.667 -19.397 0.000) 19.469 5.992 ( 1.667 -19.397 0.000) 19.469 6.959 ( -9.391 -13.326 0.000) 16.303 6.959 ( 9.391 -13.326 0.000) 16.303 8.414 ( -2.711 2.198 0.000) 3.490 8.414 ( 2.711 2.198 0.000) 3.490 8.444 ( -3.652 -1.844 0.000) 4.091 8.444 ( 3.652 -1.844 0.000) 4.091 9.415 ( -3.965 2.986 0.000) 4.964 9.415 ( 3.965 2.986 0.000) 4.964 9.633 ( -0.898 3.846 0.000) 3.950 9.633 ( 0.898 3.846 0.000) 3.950 9.704 ( -1.022 -3.355 0.000) 3.507 9.704 ( 1.022 -3.355 0.000) 3.507 10.620 ( -0.401 5.829 0.000) 5.843 10.620 ( 0.401 5.829 0.000) 5.843 10.892 ( -6.951 3.724 0.000) 7.885 10.892 ( 6.951 3.724 0.000) 7.885 11.423 ( -11.402 6.012 0.000) 12.890 11.423 ( 11.402 6.012 0.000) 12.890 11.542 ( -8.095 -0.837 0.000) 8.138 11.542 ( 8.095 -0.837 0.000) 8.138 11.741 ( -0.776 -5.951 0.000) 6.002 11.741 ( 0.776 -5.951 0.000) 6.002 12.521 ( -3.098 1.828 0.000) 3.597 12.521 ( 3.098 1.828 0.000) 3.597 12.628 ( -3.880 1.393 0.000) 4.122 12.628 ( 3.880 1.393 0.000) 4.122 12.876 ( -5.855 -6.256 0.000) 8.568 12.876 ( 5.855 -6.256 0.000) 8.568 13.994 ( -12.030 12.130 0.000) 17.084 13.994 ( 12.030 12.130 0.000) 17.084 14.064 ( -6.788 1.618 0.000) 6.978 14.064 ( 6.788 1.618 0.000) 6.978 14.350 ( -4.425 -2.373 0.000) 5.021 14.350 ( 4.425 -2.373 0.000) 5.021 14.546 ( -0.323 -5.131 0.000) 5.141 14.546 ( 0.323 -5.131 0.000) 5.141 14.779 ( -0.409 -7.370 0.000) 7.381 14.779 ( 0.409 -7.370 0.000) 7.381 16.136 ( -2.468 3.189 0.000) 4.033 16.136 ( 2.468 3.189 0.000) 4.033 16.327 ( -1.027 -2.066 0.000) 2.307 16.327 ( 1.027 -2.066 0.000) 2.307 16.611 ( -2.086 2.917 0.000) 3.586 16.611 ( 2.086 2.917 0.000) 3.586 16.786 ( -1.872 -1.221 0.000) 2.235 16.786 ( 1.872 -1.221 0.000) 2.235 17.561 ( -8.432 -4.841 0.000) 9.723 17.561 ( 8.432 -4.841 0.000) 9.723 18.700 ( -0.082 4.960 0.000) 4.960 18.700 ( 0.082 4.960 0.000) 4.960 21.809 ( -1.712 -2.330 0.000) 2.891 21.809 ( 1.712 -2.330 0.000) 2.891 22.447 ( -1.732 0.528 0.000) 1.810 22.447 ( 1.732 0.528 0.000) 1.810 24.469 ( -3.444 -0.507 0.000) 3.481 24.469 ( 3.444 -0.507 0.000) 3.481 26.258 ( -0.259 1.306 0.000) 1.331 26.258 ( 0.259 1.306 0.000) 1.331 ======================= Grid point 44 (15/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 8.394 ( 0.000 0.000 0.000) 0.000 8.394 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 9.456 ( -0.000 -0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.627 ( 0.000 0.000 0.000) 0.000 9.627 ( 0.000 0.000 0.000) 0.000 9.703 ( -0.000 -0.000 0.000) 0.000 9.703 ( 0.000 0.000 0.000) 0.000 10.672 ( 0.000 0.000 0.000) 0.000 10.672 ( 0.000 0.000 0.000) 0.000 10.942 ( 0.000 0.000 0.000) 0.000 10.942 ( 0.000 0.000 0.000) 0.000 11.482 ( 0.000 0.000 0.000) 0.000 11.482 ( 0.000 0.000 0.000) 0.000 11.533 ( -0.000 -0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.679 ( 0.000 0.000 0.000) 0.000 11.679 ( 0.000 0.000 0.000) 0.000 12.545 ( 0.000 0.000 0.000) 0.000 12.545 ( 0.000 0.000 0.000) 0.000 12.667 ( 0.000 0.000 0.000) 0.000 12.667 ( 0.000 0.000 0.000) 0.000 12.777 ( -0.000 -0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 14.094 ( -0.000 -0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 14.335 ( 0.000 0.000 0.000) 0.000 14.335 ( 0.000 0.000 0.000) 0.000 14.495 ( 0.000 0.000 0.000) 0.000 14.495 ( 0.000 0.000 0.000) 0.000 14.686 ( -0.000 -0.000 0.000) 0.000 14.686 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.306 ( 0.000 0.000 0.000) 0.000 16.306 ( 0.000 0.000 0.000) 0.000 16.642 ( 0.000 0.000 0.000) 0.000 16.642 ( 0.000 0.000 0.000) 0.000 16.772 ( 0.000 0.000 0.000) 0.000 16.772 ( 0.000 0.000 0.000) 0.000 17.513 ( 0.000 0.000 0.000) 0.000 17.513 ( 0.000 0.000 0.000) 0.000 18.748 ( 0.000 0.000 0.000) 0.000 18.748 ( 0.000 0.000 0.000) 0.000 21.787 ( 0.000 0.000 0.000) 0.000 21.787 ( 0.000 0.000 0.000) 0.000 22.452 ( 0.000 0.000 0.000) 0.000 22.452 ( 0.000 0.000 0.000) 0.000 24.464 ( 0.000 0.000 0.000) 0.000 24.464 ( 0.000 0.000 0.000) 0.000 26.271 ( 0.000 0.000 0.000) 0.000 26.271 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.000 -0.000 46.404) 46.404 0.962 ( 0.000 0.000 46.404) 46.404 1.496 ( -0.000 0.000 70.876) 70.876 5.145 ( 0.000 0.000 -1.255) 1.255 5.145 ( 0.000 0.000 -1.255) 1.255 5.409 ( 0.000 0.000 -1.710) 1.710 7.239 ( 0.000 0.000 -5.804) 5.804 7.239 ( -0.000 -0.000 -5.804) 5.804 8.094 ( -0.000 -0.000 7.489) 7.489 8.228 ( -0.000 -0.000 -11.409) 11.409 8.228 ( 0.000 0.000 -11.409) 11.409 8.327 ( 0.000 0.000 14.734) 14.734 8.344 ( 0.000 0.000 1.086) 1.086 8.344 ( 0.000 0.000 1.086) 1.086 8.617 ( -0.000 0.000 27.436) 27.436 8.996 ( 0.000 0.000 5.267) 5.267 9.546 ( -0.000 0.000 1.655) 1.655 9.546 ( 0.000 0.000 1.655) 1.655 10.004 ( 0.000 0.000 -5.135) 5.135 10.219 ( -0.000 -0.000 -23.904) 23.904 10.518 ( 0.000 0.000 14.642) 14.642 10.518 ( 0.000 0.000 14.642) 14.642 10.986 ( 0.000 0.000 5.451) 5.451 11.106 ( -0.000 -0.000 11.199) 11.199 11.407 ( 0.000 0.000 -2.435) 2.435 11.407 ( 0.000 0.000 -2.435) 2.435 11.722 ( 0.000 0.000 16.848) 16.848 11.837 ( 0.000 0.000 3.239) 3.239 11.837 ( 0.000 -0.000 3.239) 3.239 11.933 ( -0.000 0.000 3.125) 3.125 11.962 ( 0.000 0.000 2.870) 2.870 12.204 ( -0.000 -0.000 -5.230) 5.230 12.496 ( 0.000 0.000 -7.446) 7.446 12.496 ( -0.000 0.000 -7.446) 7.446 12.646 ( -0.000 -0.000 4.967) 4.967 13.190 ( 0.000 0.000 -8.083) 8.083 13.236 ( 0.000 0.000 -13.040) 13.040 13.787 ( 0.000 0.000 4.523) 4.523 13.862 ( 0.000 0.000 2.454) 2.454 13.862 ( -0.000 -0.000 2.454) 2.454 14.520 ( -0.000 -0.000 -5.980) 5.980 14.520 ( -0.000 0.000 -5.980) 5.980 14.815 ( 0.000 0.000 1.522) 1.522 14.815 ( 0.000 0.000 1.522) 1.522 15.008 ( -0.000 -0.000 -6.451) 6.451 15.109 ( 0.000 0.000 -8.833) 8.833 15.443 ( 0.000 0.000 3.612) 3.612 15.543 ( 0.000 0.000 6.852) 6.852 15.543 ( 0.000 0.000 6.852) 6.852 16.182 ( 0.000 0.000 -2.946) 2.946 16.218 ( 0.000 0.000 -15.918) 15.918 16.560 ( 0.000 0.000 -11.684) 11.684 16.760 ( 0.000 0.000 7.270) 7.270 17.993 ( 0.000 0.000 -2.387) 2.387 17.993 ( 0.000 0.000 -2.387) 2.387 18.086 ( 0.000 0.000 0.557) 0.557 18.086 ( 0.000 0.000 0.557) 0.557 18.731 ( 0.000 0.000 -4.131) 4.131 21.818 ( -0.000 -0.000 -2.200) 2.200 21.818 ( 0.000 0.000 -2.200) 2.200 22.181 ( 0.000 0.000 -1.402) 1.402 22.181 ( 0.000 0.000 -1.402) 1.402 22.743 ( 0.000 0.000 8.598) 8.598 25.680 ( 0.000 0.000 -13.316) 13.316 26.123 ( 0.000 0.000 6.979) 6.979 26.150 ( -0.000 0.000 0.132) 0.132 ======================= Grid point 82 (17/90) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 34.019 0.000 31.873) 46.617 1.343 ( 32.796 0.000 33.585) 46.941 2.038 ( 49.572 0.000 49.548) 70.088 5.017 ( -13.185 0.000 -0.797) 13.209 5.118 ( -6.058 0.000 -4.771) 7.711 5.340 ( -4.322 0.000 3.469) 5.542 7.248 ( 0.894 0.000 -5.484) 5.557 7.383 ( 9.648 0.000 -13.219) 16.365 7.950 ( -11.209 0.000 9.052) 14.408 8.124 ( -7.972 0.000 -0.550) 7.991 8.139 ( -8.467 0.000 -11.825) 14.544 8.310 ( -2.400 0.000 10.987) 11.246 8.425 ( 7.187 0.000 6.123) 9.441 8.459 ( 7.042 0.000 3.152) 7.715 8.725 ( 9.009 0.000 16.362) 18.678 9.005 ( 1.693 0.000 3.753) 4.117 9.446 ( -9.088 0.000 -0.070) 9.089 9.508 ( -2.435 0.000 1.047) 2.651 9.960 ( -1.486 0.000 2.474) 2.886 10.309 ( 7.229 0.000 -20.850) 22.068 10.420 ( -7.103 0.000 7.989) 10.690 10.517 ( -0.099 0.000 14.366) 14.366 10.999 ( -1.517 0.000 3.735) 4.031 11.271 ( 15.174 0.000 9.447) 17.875 11.365 ( -17.068 0.000 9.207) 19.393 11.410 ( -10.812 0.000 -1.672) 10.940 11.450 ( 0.871 0.000 0.393) 0.955 11.542 ( -3.954 0.000 14.949) 15.463 11.615 ( -14.764 0.000 8.784) 17.180 12.050 ( 12.645 0.000 7.349) 14.625 12.159 ( -2.216 0.000 -5.991) 6.388 12.268 ( 12.590 0.000 -1.109) 12.639 12.471 ( -2.403 0.000 -7.375) 7.757 12.542 ( 0.114 0.000 -2.525) 2.528 12.692 ( 4.916 0.000 4.366) 6.575 13.199 ( 0.864 0.000 -7.157) 7.209 13.212 ( -2.344 0.000 -12.588) 12.805 13.753 ( 0.199 0.000 0.987) 1.007 13.835 ( -3.019 0.000 2.685) 4.041 14.472 ( 12.134 0.000 -7.994) 14.531 14.476 ( -4.214 0.000 -7.218) 8.358 14.650 ( 6.491 0.000 -13.121) 14.638 14.800 ( -1.700 0.000 -0.069) 1.702 14.986 ( 8.128 0.000 -7.620) 11.141 15.014 ( -8.273 0.000 2.510) 8.645 15.043 ( 21.786 0.000 -16.219) 27.161 15.296 ( -7.704 0.000 -2.118) 7.990 15.629 ( 8.284 0.000 4.048) 9.221 15.779 ( 15.426 0.000 3.797) 15.886 16.210 ( 2.788 0.000 -2.850) 3.987 16.255 ( 3.829 0.000 -15.183) 15.659 16.551 ( -1.137 0.000 -10.105) 10.168 16.751 ( -1.013 0.000 4.948) 5.051 17.381 ( -32.405 0.000 24.601) 40.685 17.985 ( -0.808 0.000 -2.440) 2.570 18.069 ( -1.716 0.000 0.480) 1.782 18.086 ( 0.779 0.000 0.297) 0.834 18.714 ( -4.318 0.000 -2.043) 4.777 21.829 ( 1.161 0.000 -2.170) 2.461 22.164 ( -1.700 0.000 -1.432) 2.223 22.171 ( 2.313 0.000 -3.572) 4.256 22.698 ( 0.292 0.000 3.714) 3.726 22.944 ( 56.262 0.000 -45.536) 72.380 25.423 ( -22.102 0.000 -0.668) 22.113 26.068 ( -0.648 0.000 8.624) 8.648 26.157 ( 0.774 0.000 0.189) 0.796 ======================= Grid point 83 (18/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 40.299 0.000 20.409) 45.173 2.072 ( 40.761 0.000 17.997) 44.557 3.091 ( 57.233 0.000 29.393) 64.339 4.667 ( -23.159 0.000 0.415) 23.162 4.821 ( -23.665 0.000 -4.049) 24.009 5.317 ( -0.577 0.000 7.257) 7.280 7.269 ( 1.221 0.000 -4.196) 4.370 7.563 ( 9.479 0.000 -12.192) 15.443 7.722 ( -12.387 0.000 8.626) 15.094 7.981 ( -6.412 0.000 -6.470) 9.109 7.995 ( -4.890 0.000 3.537) 6.035 8.264 ( -2.321 0.000 15.791) 15.960 8.471 ( -6.780 0.000 6.362) 9.298 8.533 ( 2.431 0.000 5.409) 5.930 8.896 ( 8.696 0.000 6.015) 10.573 9.127 ( 12.075 0.000 -1.977) 12.236 9.282 ( -6.549 0.000 -0.294) 6.555 9.508 ( 2.798 0.000 -1.084) 3.001 9.940 ( -1.069 0.000 8.655) 8.721 10.250 ( -8.039 0.000 9.235) 12.244 10.449 ( 1.708 0.000 -23.455) 23.517 10.516 ( 0.047 0.000 13.677) 13.678 10.914 ( -4.551 0.000 3.690) 5.859 10.987 ( -22.055 0.000 3.036) 22.263 11.112 ( -15.531 0.000 9.603) 18.261 11.341 ( -4.954 0.000 4.144) 6.459 11.563 ( 2.596 0.000 -0.171) 2.602 11.597 ( 16.833 0.000 8.517) 18.865 11.731 ( 15.724 0.000 8.782) 18.010 12.071 ( -6.328 0.000 -6.899) 9.362 12.264 ( 9.738 0.000 8.199) 12.730 12.419 ( -2.670 0.000 -6.661) 7.176 12.434 ( 4.871 0.000 -6.898) 8.445 12.537 ( -0.280 0.000 -2.861) 2.875 12.801 ( 6.020 0.000 5.816) 8.371 13.157 ( -3.318 0.000 -9.588) 10.145 13.214 ( 0.558 0.000 -4.264) 4.300 13.736 ( -7.602 0.000 2.866) 8.124 13.807 ( 5.939 0.000 -1.084) 6.037 14.394 ( -3.396 0.000 -8.057) 8.743 14.513 ( -4.557 0.000 -4.842) 6.649 14.730 ( -6.615 0.000 -0.325) 6.623 14.738 ( 6.453 0.000 -2.023) 6.763 14.880 ( -3.997 0.000 9.658) 10.452 14.999 ( 0.078 0.000 -1.523) 1.525 15.155 ( -7.397 0.000 -5.764) 9.378 15.514 ( 18.808 0.000 -19.447) 27.054 15.808 ( 9.387 0.000 -0.965) 9.436 16.058 ( 13.322 0.000 0.893) 13.352 16.278 ( 4.070 0.000 -2.593) 4.826 16.346 ( 4.768 0.000 -13.599) 14.411 16.507 ( -3.773 0.000 -5.221) 6.441 16.723 ( -1.330 0.000 -0.917) 1.615 17.007 ( -9.787 0.000 16.494) 19.179 17.964 ( -1.270 0.000 -2.444) 2.754 18.026 ( -2.643 0.000 0.167) 2.648 18.110 ( 1.819 0.000 0.644) 1.930 18.586 ( -8.528 0.000 -0.521) 8.543 21.862 ( 2.273 0.000 -2.082) 3.082 22.119 ( -3.038 0.000 -1.518) 3.396 22.222 ( 3.386 0.000 -1.145) 3.574 22.630 ( -5.104 0.000 6.796) 8.499 23.701 ( 26.574 0.000 -35.113) 44.035 25.017 ( -19.605 0.000 1.765) 19.684 26.098 ( 2.732 0.000 3.570) 4.495 26.175 ( 1.010 0.000 0.268) 1.045 ======================= Grid point 84 (19/90) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 41.124 0.000 11.777) 42.777 2.836 ( 39.252 0.000 10.184) 40.551 4.086 ( 40.473 0.000 18.128) 44.347 4.160 ( -29.965 0.000 2.342) 30.056 4.291 ( -25.928 0.000 1.270) 25.960 5.225 ( -11.066 0.000 9.134) 14.348 7.294 ( 1.735 0.000 -1.359) 2.204 7.503 ( -10.103 0.000 5.841) 11.670 7.733 ( 8.130 0.000 -6.942) 10.691 7.938 ( 2.174 0.000 -0.312) 2.197 7.939 ( -1.989 0.000 2.077) 2.876 8.234 ( 0.181 0.000 15.447) 15.448 8.269 ( -12.411 0.000 6.424) 13.975 8.478 ( -7.517 0.000 4.064) 8.545 9.058 ( 8.010 0.000 2.899) 8.519 9.214 ( -1.665 0.000 1.661) 2.352 9.411 ( 15.965 0.000 -7.168) 17.500 9.593 ( 5.151 0.000 -4.227) 6.663 9.950 ( 3.821 0.000 12.258) 12.840 10.108 ( -6.179 0.000 8.051) 10.149 10.316 ( -13.450 0.000 -9.714) 16.591 10.453 ( -13.486 0.000 12.743) 18.554 10.646 ( -5.621 0.000 4.035) 6.920 10.868 ( -10.802 0.000 9.071) 14.106 10.945 ( 6.834 0.000 -0.992) 6.906 11.241 ( -6.291 0.000 0.571) 6.316 11.641 ( 5.595 0.000 -1.880) 5.902 11.905 ( 14.465 0.000 5.136) 15.350 11.929 ( -8.367 0.000 -5.739) 10.146 12.002 ( 10.809 0.000 4.332) 11.645 12.380 ( 0.151 0.000 -4.906) 4.908 12.411 ( 3.890 0.000 8.892) 9.706 12.488 ( 1.735 0.000 -10.886) 11.023 12.531 ( -0.526 0.000 -7.095) 7.115 12.907 ( 5.163 0.000 5.208) 7.333 13.086 ( -4.237 0.000 -3.880) 5.745 13.233 ( 2.487 0.000 0.400) 2.518 13.553 ( -11.163 0.000 3.235) 11.622 13.969 ( 10.504 0.000 -2.869) 10.889 14.372 ( 1.180 0.000 -5.906) 6.023 14.375 ( -9.228 0.000 -4.380) 10.215 14.574 ( -8.551 0.000 2.075) 8.799 14.862 ( 1.261 0.000 4.080) 4.270 14.864 ( 6.060 0.000 -0.171) 6.062 14.995 ( -0.901 0.000 0.527) 1.044 15.020 ( -6.588 0.000 -3.839) 7.625 15.797 ( 11.898 0.000 -10.606) 15.939 15.952 ( 5.040 0.000 -3.170) 5.954 16.264 ( 8.071 0.000 -0.836) 8.114 16.346 ( 2.622 0.000 -2.224) 3.439 16.391 ( -0.384 0.000 -11.473) 11.479 16.417 ( -4.720 0.000 -3.625) 5.951 16.745 ( 3.775 0.000 -3.166) 4.927 16.903 ( -3.449 0.000 6.379) 7.252 17.944 ( -0.706 0.000 -2.097) 2.213 17.977 ( -2.345 0.000 -0.502) 2.398 18.160 ( 3.739 0.000 0.994) 3.868 18.413 ( -9.168 0.000 0.377) 9.176 21.914 ( 3.214 0.000 -1.952) 3.761 22.053 ( -3.757 0.000 -1.647) 4.102 22.300 ( 4.862 0.000 1.235) 5.016 22.521 ( -6.193 0.000 5.550) 8.316 24.091 ( 16.764 0.000 -19.834) 25.969 24.679 ( -16.395 0.000 -3.478) 16.759 26.149 ( 2.408 0.000 0.875) 2.562 26.189 ( 0.313 0.000 0.161) 0.352 ======================= Grid point 85 (20/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( -35.158 0.000 5.380) 35.567 3.542 ( 35.158 0.000 5.380) 35.567 3.586 ( -38.484 0.000 5.753) 38.912 3.586 ( 38.484 0.000 5.753) 38.912 4.847 ( -29.533 0.000 12.558) 32.092 4.847 ( 29.533 0.000 12.558) 32.092 7.356 ( -5.309 0.000 2.454) 5.849 7.356 ( 5.309 0.000 2.454) 5.849 7.867 ( -5.902 0.000 -0.329) 5.911 7.867 ( 5.902 0.000 -0.329) 5.911 8.054 ( -9.485 0.000 3.805) 10.220 8.054 ( 9.485 0.000 3.805) 10.220 8.314 ( -7.957 0.000 7.815) 11.153 8.314 ( 7.957 0.000 7.815) 11.153 9.172 ( -3.750 0.000 3.025) 4.818 9.172 ( 3.750 0.000 3.025) 4.818 9.632 ( -4.199 0.000 -9.129) 10.049 9.632 ( 4.199 0.000 -9.129) 10.049 10.087 ( -6.665 0.000 3.657) 7.602 10.087 ( 6.665 0.000 3.657) 7.602 10.130 ( -15.071 0.000 10.857) 18.575 10.130 ( 15.071 0.000 10.857) 18.575 10.699 ( -6.819 0.000 8.146) 10.623 10.699 ( 6.819 0.000 8.146) 10.623 11.099 ( -8.381 0.000 -1.619) 8.536 11.099 ( 8.381 0.000 -1.619) 8.536 11.771 ( -7.921 0.000 -3.659) 8.725 11.771 ( 7.921 0.000 -3.659) 8.725 12.083 ( -2.987 0.000 1.648) 3.412 12.083 ( 2.987 0.000 1.648) 3.412 12.414 ( -2.900 0.000 3.144) 4.277 12.414 ( 2.900 0.000 3.144) 4.277 12.515 ( -1.137 0.000 -10.738) 10.798 12.515 ( 1.137 0.000 -10.738) 10.798 13.000 ( -4.733 0.000 1.701) 5.029 13.000 ( 4.733 0.000 1.701) 5.029 13.347 ( -9.494 0.000 3.752) 10.208 13.347 ( 9.494 0.000 3.752) 10.208 14.179 ( -11.147 0.000 -3.892) 11.807 14.179 ( 11.147 0.000 -3.892) 11.807 14.437 ( -5.543 0.000 -1.808) 5.830 14.437 ( 5.543 0.000 -1.808) 5.830 14.915 ( -4.310 0.000 -0.072) 4.311 14.915 ( 4.310 0.000 -0.072) 4.311 14.955 ( -3.451 0.000 0.710) 3.523 14.955 ( 3.451 0.000 0.710) 3.523 15.961 ( -4.652 0.000 -5.285) 7.041 15.961 ( 4.652 0.000 -5.285) 7.041 16.357 ( -1.903 0.000 -1.729) 2.571 16.357 ( 1.903 0.000 -1.729) 2.571 16.370 ( -0.532 0.000 -7.930) 7.948 16.370 ( 0.532 0.000 -7.930) 7.948 16.831 ( -4.464 0.000 0.031) 4.464 16.831 ( 4.464 0.000 0.031) 4.464 17.945 ( -0.921 0.000 -1.367) 1.649 17.945 ( 0.921 0.000 -1.367) 1.649 18.259 ( -6.812 0.000 0.947) 6.878 18.259 ( 6.812 0.000 0.947) 6.878 21.981 ( -3.780 0.000 -1.799) 4.186 21.981 ( 3.780 0.000 -1.799) 4.186 22.404 ( -5.973 0.000 3.598) 6.973 22.404 ( 5.973 0.000 3.598) 6.973 24.385 ( -15.077 0.000 -10.292) 18.255 24.385 ( 15.077 0.000 -10.292) 18.255 26.183 ( -1.073 0.000 0.080) 1.076 26.183 ( 1.073 0.000 0.080) 1.076 ======================= Grid point 91 (21/90) ======================= q-point: ( 0.12 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 21.316 21.316 30.853) 43.135 1.674 ( 26.027 26.027 30.199) 47.610 2.524 ( 43.121 43.121 34.305) 69.969 4.894 ( -12.098 -12.098 -4.660) 17.733 5.163 ( 1.249 1.249 -0.512) 1.840 5.234 ( -8.694 -8.694 4.767) 13.187 7.229 ( -5.766 -5.766 -12.371) 14.817 7.370 ( 2.456 2.456 -2.606) 4.342 7.809 ( -12.395 -12.395 9.755) 20.061 8.019 ( -6.848 -6.848 -12.563) 15.862 8.121 ( -1.739 -1.739 4.197) 4.864 8.264 ( -3.886 -3.886 12.636) 13.779 8.542 ( 6.247 6.247 6.562) 11.006 8.594 ( 12.221 12.221 1.752) 17.371 8.778 ( 4.284 4.284 10.011) 11.701 8.978 ( -1.224 -1.224 5.185) 5.467 9.421 ( -4.451 -4.451 0.862) 6.354 9.460 ( -1.176 -1.176 -2.536) 3.033 9.982 ( 2.130 2.130 4.778) 5.649 10.312 ( -3.765 -3.765 3.021) 6.122 10.390 ( 1.123 1.123 -17.804) 17.875 10.530 ( 0.999 0.999 13.130) 13.206 11.037 ( -14.874 -14.874 5.833) 21.829 11.121 ( 6.233 6.233 3.426) 9.458 11.299 ( -9.859 -9.859 12.007) 18.400 11.299 ( -5.117 -5.117 6.661) 9.836 11.499 ( 9.101 9.101 6.095) 14.241 11.588 ( 6.067 6.067 0.445) 8.591 11.786 ( -7.760 -7.760 2.285) 11.210 11.838 ( 1.498 1.498 10.052) 10.273 12.170 ( -0.128 -0.128 -4.679) 4.682 12.436 ( 11.154 11.154 -0.484) 15.781 12.506 ( -1.305 -1.305 -4.764) 5.109 12.520 ( 1.427 1.427 -3.532) 4.068 12.700 ( 1.583 1.583 4.241) 4.796 13.167 ( -1.818 -1.818 -9.303) 9.651 13.241 ( 1.591 1.591 -8.618) 8.907 13.732 ( -0.777 -0.777 -0.309) 1.141 13.895 ( 1.727 1.727 1.659) 2.953 14.406 ( -0.500 -0.500 -6.010) 6.051 14.485 ( -1.889 -1.889 -6.549) 7.072 14.706 ( 0.657 0.657 -6.369) 6.437 14.782 ( -1.231 -1.231 3.779) 4.161 14.930 ( -7.074 -7.074 6.237) 11.789 14.997 ( -0.740 -0.740 -4.358) 4.482 15.213 ( 0.727 0.727 -10.891) 10.940 15.272 ( 12.636 12.636 -18.444) 25.681 15.718 ( 8.440 8.440 1.410) 12.019 15.901 ( 10.378 10.378 2.837) 14.949 16.221 ( 1.539 1.539 -5.212) 5.648 16.293 ( 3.592 3.592 -12.066) 13.092 16.546 ( -0.512 -0.512 -8.921) 8.950 16.753 ( -0.003 -0.003 3.240) 3.240 17.096 ( -18.503 -18.503 21.969) 34.166 17.922 ( -6.041 -6.041 -2.530) 8.910 18.157 ( 5.703 5.703 1.113) 8.142 18.162 ( 4.036 4.036 -1.539) 5.911 18.634 ( -6.630 -6.630 -0.481) 9.389 21.821 ( 0.128 0.128 -1.399) 1.410 22.136 ( -2.284 -2.284 -0.844) 3.338 22.201 ( 2.340 2.340 -2.967) 4.444 22.704 ( -1.963 -1.963 8.032) 8.498 23.321 ( 29.526 29.526 -47.394) 63.165 25.253 ( -15.153 -15.153 2.491) 21.574 26.075 ( 1.219 1.219 6.634) 6.854 26.158 ( 0.461 0.461 -0.448) 0.791 ======================= Grid point 92 (22/90) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 37.330 6.598 19.749) 42.744 2.278 ( 36.153 17.007 21.885) 45.555 3.436 ( 49.709 31.787 21.002) 62.629 4.572 ( -21.594 -8.590 -3.667) 23.527 4.882 ( -22.806 3.145 3.457) 23.280 5.266 ( 3.014 -3.954 4.646) 6.804 7.113 ( -5.455 -14.263 -7.551) 17.036 7.349 ( -7.036 -17.788 -0.404) 19.133 7.598 ( -7.071 -14.973 9.213) 18.949 7.957 ( 1.188 6.332 -7.922) 10.211 8.085 ( -2.891 2.271 4.238) 5.610 8.189 ( -2.646 -5.916 12.968) 14.497 8.579 ( -5.021 7.039 10.292) 13.442 8.683 ( -0.801 10.705 2.912) 11.123 8.955 ( 12.652 4.762 1.057) 13.559 9.031 ( 6.590 -2.527 3.960) 8.093 9.335 ( -1.524 1.650 -1.569) 2.740 9.499 ( 4.265 0.285 -3.702) 5.655 10.014 ( 0.743 6.943 7.725) 10.413 10.197 ( -6.591 -5.089 8.345) 11.788 10.360 ( -9.017 -10.261 -15.787) 20.876 10.552 ( 1.277 2.864 12.160) 12.557 10.797 ( -5.666 -3.777 -0.230) 6.814 11.065 ( -11.127 0.275 7.364) 13.346 11.170 ( -4.304 6.855 2.861) 8.585 11.286 ( -4.656 -4.534 3.844) 7.551 11.531 ( -1.061 -0.556 0.230) 1.220 11.708 ( 6.751 5.605 4.480) 9.852 11.755 ( 11.465 1.040 6.162) 13.058 11.941 ( 2.767 -7.781 3.220) 8.864 12.231 ( 6.266 -1.199 0.250) 6.385 12.463 ( -2.036 3.260 -6.458) 7.515 12.527 ( 0.336 2.993 -2.457) 3.887 12.566 ( 1.116 5.963 -4.423) 7.508 12.778 ( 6.056 -2.324 4.548) 7.922 13.138 ( -1.616 -0.531 -6.570) 6.786 13.269 ( 1.584 4.560 -4.385) 6.521 13.755 ( 2.790 -1.096 -1.723) 3.458 13.864 ( -3.536 7.766 1.508) 8.666 14.366 ( -2.730 -2.192 -6.380) 7.278 14.467 ( -2.895 -4.708 -5.116) 7.531 14.692 ( -1.836 -1.199 -1.583) 2.704 14.754 ( -2.941 -1.990 4.290) 5.569 14.803 ( -2.301 -6.353 8.822) 11.112 14.985 ( -0.486 -1.847 -2.168) 2.889 15.116 ( -6.116 -3.397 -5.705) 9.027 15.583 ( 14.594 6.594 -17.333) 23.599 15.894 ( 8.587 8.272 -2.345) 12.152 16.103 ( 10.278 3.844 1.710) 11.106 16.273 ( 3.693 -0.568 -5.550) 6.690 16.369 ( 3.621 2.355 -9.870) 10.774 16.525 ( -2.221 2.003 -5.096) 5.909 16.731 ( -2.295 0.614 -0.466) 2.421 16.874 ( -4.334 -10.306 11.702) 16.185 17.812 ( -4.961 -11.164 -2.460) 12.462 18.140 ( -5.269 9.199 -1.982) 10.784 18.264 ( 4.524 9.454 0.196) 10.483 18.515 ( -5.203 -6.126 1.160) 8.120 21.841 ( 1.872 -1.493 -0.893) 2.556 22.084 ( -3.141 -3.006 -0.463) 4.372 22.254 ( 3.347 2.776 -1.404) 4.569 22.637 ( -4.742 -0.027 6.938) 8.404 23.799 ( 20.238 9.100 -31.725) 38.715 24.944 ( -16.328 -7.206 1.142) 17.883 26.114 ( 2.522 1.574 2.695) 4.012 26.174 ( 1.042 0.083 -0.642) 1.227 ======================= Grid point 93 (23/90) ======================= q-point: ( 0.38 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 38.432 0.817 10.489) 39.846 2.993 ( 38.345 11.169 15.017) 42.668 4.089 ( -28.424 -4.404 -0.398) 28.766 4.312 ( 35.362 20.310 13.515) 42.961 4.370 ( -25.580 5.694 5.914) 26.865 5.243 ( -7.120 2.370 6.405) 9.866 7.026 ( -3.260 -22.702 -2.006) 23.023 7.158 ( -10.291 -25.815 2.870) 27.939 7.579 ( 4.406 -18.115 4.951) 19.289 7.945 ( -10.790 -10.589 6.283) 16.372 8.040 ( 6.804 13.009 2.192) 14.843 8.232 ( 5.358 7.420 3.046) 9.646 8.431 ( -7.971 10.018 11.784) 17.400 8.605 ( -7.529 7.505 2.460) 10.911 9.111 ( 6.178 4.059 1.050) 7.466 9.190 ( 5.704 1.584 -0.455) 5.938 9.412 ( 9.044 0.311 -0.560) 9.067 9.595 ( 4.774 0.319 -4.957) 6.889 9.983 ( -5.045 0.213 3.456) 6.119 10.068 ( -12.638 -13.147 3.636) 18.595 10.169 ( 1.572 3.937 6.581) 7.829 10.558 ( -3.249 4.913 9.897) 11.517 10.716 ( -5.286 5.000 -4.138) 8.370 10.891 ( -9.151 2.824 7.451) 12.133 11.047 ( -0.313 9.266 0.521) 9.286 11.215 ( -2.844 -2.190 0.438) 3.616 11.578 ( 3.278 -6.497 -3.880) 8.247 11.760 ( -3.345 -8.873 -3.033) 9.956 11.952 ( 10.191 1.156 5.730) 11.749 12.045 ( 6.919 0.311 7.151) 9.955 12.352 ( 5.533 -2.091 -0.145) 5.917 12.433 ( -0.847 4.334 -4.446) 6.266 12.531 ( -0.396 1.643 -5.995) 6.228 12.557 ( -0.544 2.871 -4.859) 5.670 12.891 ( 5.447 -1.608 3.946) 6.916 13.084 ( -4.238 0.092 -2.913) 5.143 13.321 ( 4.790 8.673 1.025) 9.960 13.674 ( -9.968 11.220 1.698) 15.104 13.936 ( 9.649 -2.879 -2.504) 10.376 14.335 ( -7.229 -2.971 -5.274) 9.429 14.359 ( -0.534 -2.236 -2.747) 3.582 14.560 ( -8.324 -1.759 2.918) 8.994 14.781 ( 2.813 -7.122 0.912) 7.712 14.825 ( 2.726 -4.041 2.916) 5.681 14.971 ( -1.345 -2.554 -1.086) 3.084 15.007 ( -4.550 -1.461 -2.124) 5.229 15.821 ( 10.728 2.736 -9.549) 14.621 16.006 ( 2.770 5.303 -3.139) 6.756 16.266 ( 6.181 -0.026 -1.441) 6.346 16.337 ( 2.131 -1.701 -6.137) 6.716 16.411 ( 1.106 2.508 -6.406) 6.968 16.459 ( -3.462 4.259 -3.244) 6.375 16.741 ( 3.432 -0.510 -3.078) 4.638 16.846 ( -0.726 -4.620 3.457) 5.816 17.757 ( -0.252 -13.427 -2.451) 13.652 17.986 ( -9.770 -0.703 -2.602) 10.135 18.336 ( 3.256 11.727 0.688) 12.190 18.441 ( -2.956 3.833 1.572) 5.089 21.888 ( 2.966 -2.335 -0.648) 3.830 22.020 ( -3.639 -3.124 -0.387) 4.812 22.329 ( 4.566 2.587 0.863) 5.318 22.535 ( -5.786 1.053 5.368) 7.963 24.120 ( 14.698 2.890 -18.636) 23.910 24.650 ( -14.690 -2.988 -3.832) 15.473 26.159 ( 2.090 1.028 0.166) 2.335 26.190 ( 0.475 0.189 -0.677) 0.849 ======================= Grid point 94 (24/90) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( -29.419 -2.420 4.974) 29.934 3.454 ( 29.419 -2.420 4.974) 29.934 3.737 ( -30.996 8.810 9.005) 33.459 3.737 ( 30.996 8.810 9.005) 33.459 4.949 ( -24.629 10.381 8.944) 28.184 4.949 ( 24.629 10.381 8.944) 28.184 7.021 ( -3.470 -26.798 1.895) 27.088 7.021 ( 3.470 -26.798 1.895) 27.088 7.731 ( -10.674 -16.591 4.726) 20.286 7.731 ( 10.674 -16.591 4.726) 20.286 8.197 ( -8.802 14.818 7.074) 18.630 8.197 ( 8.802 14.818 7.074) 18.630 8.441 ( -8.393 7.672 3.261) 11.830 8.441 ( 8.393 7.672 3.261) 11.830 9.207 ( -3.103 3.582 0.574) 4.774 9.207 ( 3.103 3.582 0.574) 4.774 9.594 ( -7.095 -3.287 -4.404) 8.975 9.594 ( 7.095 -3.287 -4.404) 8.975 9.906 ( -1.320 -7.496 5.846) 9.598 9.906 ( 1.320 -7.496 5.846) 9.598 10.350 ( -13.929 10.716 4.026) 18.029 10.350 ( 13.929 10.716 4.026) 18.029 10.737 ( -5.856 4.609 7.703) 10.718 10.737 ( 5.856 4.609 7.703) 10.718 11.132 ( -5.807 2.828 -2.722) 7.009 11.132 ( 5.807 2.828 -2.722) 7.009 11.661 ( -5.511 -8.872 -3.810) 11.118 11.661 ( 5.511 -8.872 -3.810) 11.118 12.090 ( -2.986 -0.885 5.090) 5.967 12.090 ( 2.986 -0.885 5.090) 5.967 12.421 ( -1.524 1.189 -1.982) 2.768 12.421 ( 1.524 1.189 -1.982) 2.768 12.537 ( -1.743 1.967 -5.781) 6.350 12.537 ( 1.743 1.967 -5.781) 6.350 12.989 ( -5.265 -0.854 1.009) 5.429 12.989 ( 5.265 -0.854 1.009) 5.429 13.469 ( -10.382 11.695 3.164) 15.955 13.469 ( 10.382 11.695 3.164) 15.955 14.140 ( -11.133 -3.650 -3.275) 12.166 14.140 ( 11.133 -3.650 -3.275) 12.166 14.425 ( -5.634 -1.390 -1.184) 5.922 14.425 ( 5.634 -1.390 -1.184) 5.922 14.834 ( -2.342 -6.573 0.584) 7.002 14.834 ( 2.342 -6.573 0.584) 7.002 14.958 ( -1.304 -1.190 0.166) 1.774 14.958 ( 1.304 -1.190 0.166) 1.774 15.981 ( -5.508 2.259 -4.465) 7.441 15.981 ( 5.508 2.259 -4.465) 7.441 16.334 ( -1.832 -1.467 -6.250) 6.676 16.334 ( 1.832 -1.467 -6.250) 6.676 16.428 ( -0.674 4.451 -3.486) 5.693 16.428 ( 0.674 4.451 -3.486) 5.693 16.812 ( -3.112 -1.847 -0.946) 3.740 16.812 ( 3.112 -1.847 -0.946) 3.740 17.819 ( -6.760 -9.893 -2.500) 12.240 17.819 ( 6.760 -9.893 -2.500) 12.240 18.391 ( -2.614 10.335 1.189) 10.726 18.391 ( 2.614 10.335 1.189) 10.726 21.950 ( -3.580 -2.847 -0.479) 4.599 21.950 ( 3.580 -2.847 -0.479) 4.599 22.426 ( -5.570 1.933 3.280) 6.747 22.426 ( 5.570 1.933 3.280) 6.747 24.383 ( -13.688 -0.152 -10.078) 16.999 24.383 ( 13.688 -0.152 -10.078) 16.999 26.188 ( -0.838 0.527 -0.671) 1.196 26.188 ( 0.838 0.527 -0.671) 1.196 ======================= Grid point 101 (25/90) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 24.399 24.399 18.729) 39.260 2.702 ( 27.120 27.120 18.740) 42.687 4.124 ( 37.721 37.721 11.314) 54.533 4.349 ( -15.203 -15.203 -3.802) 21.834 4.800 ( -13.261 -13.261 11.042) 21.763 5.265 ( 4.218 4.218 -0.180) 5.967 6.813 ( -15.759 -15.759 -5.070) 22.856 6.991 ( -19.132 -19.132 1.580) 27.102 7.318 ( -11.147 -11.147 11.640) 19.596 7.943 ( -13.234 -13.234 9.211) 20.859 8.135 ( 9.782 9.782 -8.062) 16.011 8.203 ( 5.115 5.115 12.431) 14.382 8.636 ( -1.858 -1.858 12.002) 12.287 8.731 ( -2.271 -2.271 2.660) 4.170 9.113 ( 11.586 11.586 5.559) 17.302 9.140 ( 8.182 8.182 3.007) 11.955 9.341 ( 1.444 1.444 -9.963) 10.170 9.540 ( 3.587 3.587 -3.267) 6.033 10.062 ( -11.494 -11.494 3.828) 16.700 10.099 ( -11.595 -11.595 -2.787) 16.633 10.166 ( 7.523 7.523 6.718) 12.583 10.613 ( 3.376 3.376 11.980) 12.897 10.795 ( 2.096 2.096 -9.583) 10.031 11.010 ( -5.939 -5.939 7.563) 11.302 11.203 ( 0.800 0.800 1.447) 1.837 11.316 ( 0.700 0.700 0.631) 1.174 11.423 ( -8.405 -8.405 -3.546) 12.404 11.707 ( -1.019 -1.019 -6.086) 6.255 11.841 ( 6.470 6.470 10.148) 13.664 11.936 ( 4.684 4.684 14.255) 15.718 12.255 ( 3.550 3.550 -1.470) 5.232 12.472 ( -0.215 -0.215 -7.155) 7.161 12.577 ( 0.326 0.326 -1.335) 1.413 12.700 ( 4.633 4.633 -6.464) 9.204 12.719 ( -0.474 -0.474 3.190) 3.260 13.137 ( -0.694 -0.694 -3.351) 3.492 13.379 ( 7.104 7.104 -0.516) 10.060 13.751 ( 2.191 2.191 -2.511) 3.988 13.999 ( 3.940 3.940 0.194) 5.576 14.312 ( -3.536 -3.536 -2.279) 5.496 14.385 ( -3.087 -3.087 -8.053) 9.160 14.611 ( -9.672 -9.672 10.473) 17.227 14.667 ( -2.008 -2.008 -1.817) 3.371 14.744 ( -1.000 -1.000 7.677) 7.806 14.942 ( -2.268 -2.268 -3.630) 4.844 15.041 ( -4.450 -4.450 -3.598) 7.249 15.735 ( 8.866 8.866 -11.963) 17.330 16.069 ( 8.161 8.161 -6.660) 13.325 16.171 ( 3.338 3.338 4.434) 6.476 16.267 ( 0.376 0.376 -7.218) 7.237 16.423 ( 2.933 2.933 -6.118) 7.391 16.582 ( 3.044 3.044 -5.263) 6.799 16.690 ( -4.844 -4.844 5.688) 8.905 16.767 ( 0.392 0.392 -2.365) 2.430 17.617 ( -8.675 -8.675 -3.173) 12.672 18.148 ( -9.986 -9.986 -6.584) 15.581 18.425 ( 7.443 7.443 1.180) 10.592 18.481 ( 3.830 3.830 3.571) 6.488 21.826 ( 0.143 0.143 0.735) 0.762 22.020 ( -3.589 -3.589 0.804) 5.139 22.314 ( 3.423 3.423 -0.662) 4.886 22.611 ( -2.647 -2.647 6.436) 7.445 23.994 ( 10.676 10.676 -23.584) 28.003 24.772 ( -10.236 -10.236 -1.216) 14.526 26.150 ( 2.027 2.027 0.621) 2.934 26.183 ( 0.774 0.774 -1.932) 2.221 ======================= Grid point 102 (26/90) ======================= q-point: ( 0.38 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 31.424 12.063 12.911) 36.051 3.268 ( 31.472 17.835 14.840) 39.100 3.991 ( -22.424 -6.119 0.095) 23.244 4.427 ( -24.913 -0.408 11.100) 27.277 4.778 ( 29.638 25.791 5.414) 39.660 5.330 ( 0.118 6.544 0.809) 6.595 6.562 ( -9.584 -24.224 0.309) 26.053 6.663 ( -14.326 -25.258 3.058) 29.199 7.233 ( 2.352 -16.049 9.525) 18.811 7.659 ( -15.808 -17.375 8.486) 24.976 8.285 ( 7.775 11.568 6.852) 15.532 8.359 ( 9.346 5.449 3.341) 11.323 8.566 ( -4.355 2.729 12.102) 13.148 8.659 ( -6.023 -0.292 5.513) 8.170 9.204 ( 2.279 7.251 -0.995) 7.666 9.317 ( 5.167 7.410 -0.438) 9.044 9.430 ( 6.958 1.090 -5.631) 9.017 9.608 ( 2.172 1.499 -1.185) 2.893 9.814 ( -8.762 -10.151 0.799) 13.433 9.938 ( -8.167 -5.205 3.525) 10.306 10.318 ( 8.681 9.388 3.502) 13.258 10.649 ( -1.894 4.919 10.186) 11.468 10.811 ( -0.872 5.306 -5.320) 7.564 10.930 ( -1.388 -0.654 -0.001) 1.534 11.134 ( -5.970 0.131 2.014) 6.301 11.269 ( -0.984 6.285 -2.380) 6.793 11.404 ( 2.925 -9.362 -6.398) 11.711 11.654 ( -5.204 -2.759 -5.736) 8.222 11.971 ( 6.326 1.327 11.540) 13.227 12.033 ( 4.150 -0.480 14.327) 14.923 12.350 ( 6.000 1.586 -2.989) 6.888 12.473 ( -0.061 0.823 -6.271) 6.325 12.569 ( -0.318 -0.840 -3.306) 3.426 12.629 ( -3.849 6.069 -1.531) 7.348 12.852 ( 6.510 -2.204 0.850) 6.926 13.082 ( -5.011 -0.978 -1.292) 5.267 13.534 ( 9.340 12.935 2.286) 16.118 13.854 ( 6.998 1.834 -2.427) 7.630 13.958 ( -6.332 11.147 0.260) 12.822 14.269 ( -8.349 -3.651 -0.617) 9.133 14.305 ( 1.367 -3.090 -4.558) 5.674 14.471 ( -5.201 -8.687 2.462) 10.420 14.648 ( 1.093 -5.502 0.052) 5.610 14.739 ( -0.421 -4.506 6.299) 7.756 14.905 ( -1.451 -4.128 -2.673) 5.128 14.956 ( -4.091 -4.086 -0.531) 5.807 15.904 ( 8.691 5.853 -6.488) 12.324 16.124 ( -1.470 6.255 -2.394) 6.857 16.257 ( 4.239 -1.067 -3.066) 5.339 16.286 ( 1.190 -2.876 -7.330) 7.963 16.475 ( 2.529 3.698 -3.700) 5.810 16.558 ( -2.899 5.531 -2.204) 6.622 16.715 ( 4.268 -2.282 -2.461) 5.430 16.780 ( 0.382 -1.865 -2.578) 3.205 17.522 ( -0.138 -10.335 -4.231) 11.168 17.889 ( -15.107 -9.063 -5.404) 18.427 18.535 ( 4.130 8.914 1.014) 9.876 18.558 ( 2.945 7.240 1.935) 8.052 21.846 ( 1.824 -1.691 1.612) 2.964 21.953 ( -3.475 -3.617 1.600) 5.265 22.383 ( 3.915 2.909 1.073) 4.994 22.544 ( -4.175 -0.277 5.084) 6.584 24.190 ( 10.033 4.326 -15.635) 19.074 24.574 ( -10.509 -4.861 -4.939) 12.588 26.184 ( 1.446 1.414 -1.428) 2.476 26.198 ( 0.654 0.623 -2.370) 2.536 ======================= Grid point 103 (27/90) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( -27.615 3.746 6.565) 28.631 3.471 ( 27.615 3.746 6.565) 28.631 3.896 ( -29.371 8.223 11.664) 32.654 3.896 ( 29.371 8.223 11.664) 32.654 5.203 ( -14.526 14.880 2.256) 20.917 5.203 ( 14.526 14.880 2.256) 20.917 6.492 ( -2.848 -27.347 3.160) 27.676 6.492 ( 2.848 -27.347 3.160) 27.676 7.382 ( -12.343 -18.516 8.243) 23.730 7.382 ( 12.343 -18.516 8.243) 23.730 8.442 ( -7.409 9.916 12.476) 17.575 8.442 ( 7.409 9.916 12.476) 17.575 8.527 ( -6.767 1.460 3.096) 7.583 8.527 ( 6.767 1.460 3.096) 7.583 9.279 ( -5.418 3.097 -5.025) 8.012 9.279 ( 5.418 3.097 -5.025) 8.012 9.572 ( -5.695 2.292 1.810) 6.400 9.572 ( 5.695 2.292 1.810) 6.400 9.799 ( -5.184 -4.709 1.641) 7.193 9.799 ( 5.184 -4.709 1.641) 7.193 10.505 ( -10.567 6.751 1.570) 12.638 10.505 ( 10.567 6.751 1.570) 12.638 10.855 ( -4.860 5.975 4.649) 8.996 10.855 ( 4.860 5.975 4.649) 8.996 11.175 ( -6.832 0.939 -6.356) 9.378 11.175 ( 6.832 0.939 -6.356) 9.378 11.522 ( -7.863 -4.106 -3.901) 9.690 11.522 ( 7.863 -4.106 -3.901) 9.690 12.055 ( -2.009 -1.967 11.325) 11.669 12.055 ( 2.009 -1.967 11.325) 11.669 12.448 ( -3.279 1.358 -4.194) 5.494 12.448 ( 3.279 1.358 -4.194) 5.494 12.578 ( -1.541 2.110 -1.828) 3.189 12.578 ( 1.541 2.110 -1.828) 3.189 12.968 ( -6.296 -1.710 0.593) 6.551 12.968 ( 6.296 -1.710 0.593) 6.551 13.736 ( -11.579 15.298 2.006) 19.291 13.736 ( 11.579 15.298 2.006) 19.291 14.070 ( -10.933 -2.843 -1.763) 11.434 14.070 ( 10.933 -2.843 -1.763) 11.434 14.377 ( -4.773 -3.735 -1.768) 6.313 14.377 ( 4.773 -3.735 -1.768) 6.313 14.700 ( -3.387 -7.036 2.048) 8.073 14.700 ( 3.387 -7.036 2.048) 8.073 14.903 ( -1.401 -4.495 0.157) 4.711 14.903 ( 1.401 -4.495 0.157) 4.711 16.049 ( -6.189 4.754 -2.428) 8.173 16.049 ( 6.189 4.754 -2.428) 8.173 16.297 ( -0.349 -2.469 -7.209) 7.628 16.297 ( 0.349 -2.469 -7.209) 7.628 16.517 ( -1.945 4.562 -2.511) 5.559 16.517 ( 1.945 4.562 -2.511) 5.559 16.771 ( -1.502 -2.293 -2.979) 4.049 16.771 ( 1.502 -2.293 -2.979) 4.049 17.630 ( -10.943 -9.457 -4.926) 15.279 17.630 ( 10.943 -9.457 -4.926) 15.279 18.580 ( -0.608 8.948 1.239) 9.054 18.580 ( 0.608 8.948 1.239) 9.054 21.892 ( -2.907 -2.975 1.866) 4.559 21.892 ( 2.907 -2.975 1.866) 4.559 22.462 ( -4.364 1.631 3.176) 5.639 22.462 ( 4.364 1.631 3.176) 5.639 24.379 ( -10.055 -0.313 -9.595) 13.902 24.379 ( 10.055 -0.313 -9.595) 13.902 26.201 ( -0.384 0.879 -2.327) 2.516 26.201 ( 0.384 0.879 -2.327) 2.516 ======================= Grid point 111 (28/90) ======================= q-point: ( 0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( 19.302 19.302 12.311) 29.945 3.648 ( 21.427 21.427 12.445) 32.759 3.838 ( -10.667 -10.667 3.703) 15.533 4.329 ( -10.218 -10.218 11.560) 18.505 5.212 ( 18.683 18.683 -0.203) 26.422 5.449 ( 4.636 4.636 -2.189) 6.913 6.176 ( -15.055 -15.055 3.332) 21.550 6.244 ( -17.740 -17.740 4.377) 25.467 7.032 ( -4.226 -4.226 11.183) 12.680 7.330 ( -16.341 -16.341 9.730) 25.074 8.453 ( 4.763 4.763 3.017) 7.381 8.461 ( 6.805 6.805 14.158) 17.119 8.551 ( -2.075 -2.075 9.061) 9.524 8.645 ( -2.053 -2.053 12.605) 12.935 9.311 ( 2.302 2.302 -1.203) 3.471 9.383 ( -2.904 -2.904 -10.769) 11.525 9.473 ( 8.054 8.054 -1.498) 11.488 9.658 ( 2.597 2.597 2.243) 4.304 9.719 ( -0.570 -0.570 0.288) 0.856 9.817 ( -7.032 -7.032 2.143) 10.174 10.490 ( 8.161 8.161 -0.107) 11.542 10.715 ( -0.504 -0.504 8.082) 8.113 10.882 ( 1.386 1.386 2.266) 2.996 10.918 ( 3.163 3.163 -19.066) 19.583 11.090 ( -3.925 -3.925 5.819) 8.041 11.295 ( -5.227 -5.227 -6.903) 10.114 11.369 ( 7.166 7.166 -3.972) 10.885 11.616 ( -2.413 -2.413 -9.435) 10.033 12.009 ( 1.564 1.564 17.880) 18.017 12.027 ( 0.013 0.013 17.558) 17.558 12.408 ( 4.261 4.261 -3.533) 6.985 12.491 ( 0.794 0.794 -5.497) 5.611 12.561 ( 0.883 0.883 -2.376) 2.684 12.682 ( -1.172 -1.172 0.695) 1.798 12.835 ( 1.327 1.327 1.209) 2.233 13.025 ( -5.199 -5.199 0.824) 7.398 13.779 ( 12.290 12.290 1.988) 17.494 13.910 ( 5.964 5.964 -2.010) 8.670 14.179 ( -3.153 -3.153 -0.102) 4.461 14.184 ( 5.235 5.235 -0.887) 7.456 14.259 ( -7.553 -7.553 4.223) 11.486 14.285 ( -1.583 -1.583 -8.560) 8.848 14.568 ( -3.114 -3.114 0.188) 4.408 14.661 ( -4.157 -4.157 6.132) 8.495 14.831 ( -3.206 -3.206 -0.891) 4.621 14.864 ( -4.827 -4.827 1.800) 7.060 16.029 ( 6.839 6.839 -2.832) 10.078 16.200 ( -0.524 -0.524 3.456) 3.534 16.232 ( 0.505 0.505 -9.032) 9.060 16.257 ( -0.455 -0.455 -8.079) 8.105 16.540 ( 3.105 3.105 -2.782) 5.199 16.626 ( 0.021 0.021 -0.707) 0.707 16.691 ( 1.288 1.288 -4.937) 5.263 16.756 ( -1.136 -1.136 -4.477) 4.757 17.404 ( -1.316 -1.316 -6.651) 6.906 17.682 ( -11.883 -11.883 -6.844) 18.146 18.666 ( 4.772 4.772 1.071) 6.833 18.673 ( 4.343 4.343 1.328) 6.284 21.830 ( 0.043 0.043 3.153) 3.153 21.890 ( -2.888 -2.888 3.049) 5.097 22.436 ( 2.649 2.649 2.133) 4.311 22.524 ( -1.746 -1.746 4.498) 5.131 24.278 ( 4.844 4.844 -12.183) 13.978 24.474 ( -5.431 -5.431 -6.756) 10.229 26.207 ( 0.959 0.959 -2.969) 3.264 26.211 ( 0.641 0.641 -3.577) 3.690 ======================= Grid point 112 (29/90) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( -17.632 5.161 8.554) 20.266 3.565 ( 17.632 5.161 8.554) 20.266 4.046 ( -18.989 6.935 10.983) 23.006 4.046 ( 18.989 6.935 10.983) 23.006 5.450 ( -5.892 9.926 -2.673) 11.848 5.450 ( 5.892 9.926 -2.673) 11.848 6.044 ( -2.096 -18.435 5.055) 19.230 6.044 ( 2.096 -18.435 5.055) 19.230 7.081 ( -8.855 -12.053 10.959) 18.541 7.081 ( 8.855 -12.053 10.959) 18.541 8.515 ( -1.971 -1.327 8.003) 8.349 8.515 ( 1.971 -1.327 8.003) 8.349 8.574 ( -5.094 3.806 13.798) 15.193 8.574 ( 5.094 3.806 13.798) 15.193 9.333 ( -1.468 3.007 -7.243) 7.979 9.333 ( 1.468 3.007 -7.243) 7.979 9.637 ( -7.232 1.777 0.411) 7.458 9.637 ( 7.232 1.777 0.411) 7.458 9.724 ( -1.184 -1.993 1.539) 2.782 9.724 ( 1.184 -1.993 1.539) 2.782 10.626 ( -6.574 5.500 0.199) 8.573 10.626 ( 6.574 5.500 0.199) 8.573 10.928 ( -2.388 2.612 -4.886) 6.033 10.928 ( 2.388 2.612 -4.886) 6.033 11.146 ( -8.797 -3.777 -3.081) 10.057 11.146 ( 8.797 -3.777 -3.081) 10.057 11.524 ( -7.416 3.040 -7.279) 10.827 11.524 ( 7.416 3.040 -7.279) 10.827 12.024 ( -0.733 -1.465 18.057) 18.131 12.024 ( 0.733 -1.465 18.057) 18.131 12.479 ( -2.406 2.006 -3.965) 5.053 12.479 ( 2.406 2.006 -3.965) 5.053 12.616 ( -4.393 2.356 -0.303) 4.994 12.616 ( 4.393 2.356 -0.303) 4.994 12.908 ( -5.981 -4.660 2.459) 7.971 12.908 ( 5.981 -4.660 2.459) 7.971 13.994 ( -9.983 9.228 -0.503) 13.603 13.994 ( 9.983 9.228 -0.503) 13.603 14.069 ( -8.101 3.949 0.433) 9.023 14.069 ( 8.101 3.949 0.433) 9.023 14.301 ( -2.139 -2.958 -3.598) 5.126 14.301 ( 2.139 -2.958 -3.598) 5.126 14.572 ( -4.121 -6.734 1.580) 8.052 14.572 ( 4.121 -6.734 1.580) 8.052 14.805 ( -0.891 -4.998 2.813) 5.804 14.805 ( 0.891 -4.998 2.813) 5.804 16.142 ( -4.685 4.365 0.117) 6.404 16.142 ( 4.685 4.365 0.117) 6.404 16.249 ( -0.816 -2.202 -7.688) 8.039 16.249 ( 0.816 -2.202 -7.688) 8.039 16.593 ( -2.485 3.289 -2.036) 4.598 16.593 ( 2.485 3.289 -2.036) 4.598 16.729 ( -1.800 -2.095 -4.739) 5.485 16.729 ( 1.800 -2.095 -4.739) 5.485 17.478 ( -8.463 -6.108 -7.592) 12.906 17.478 ( 8.463 -6.108 -7.592) 12.906 18.713 ( -0.180 4.860 1.066) 4.979 18.713 ( 0.180 4.860 1.066) 4.979 21.847 ( -1.646 -1.669 3.614) 4.307 21.847 ( 1.646 -1.669 3.614) 4.307 22.484 ( -2.397 0.687 3.441) 4.250 22.484 ( 2.397 0.687 3.441) 4.250 24.373 ( -5.231 -0.281 -9.171) 10.562 24.373 ( 5.231 -0.281 -9.171) 10.562 26.217 ( -0.089 0.700 -3.775) 3.841 26.217 ( 0.089 0.700 -3.775) 3.841 ======================= Grid point 125 (30/90) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( 0.000 0.000 9.272) 9.272 3.622 ( 0.000 0.000 9.272) 9.272 4.119 ( 0.000 0.000 10.092) 10.092 4.119 ( 0.000 0.000 10.092) 10.092 5.549 ( 0.000 0.000 -4.646) 4.646 5.549 ( 0.000 0.000 -4.646) 4.646 5.856 ( 0.000 0.000 6.137) 6.137 5.856 ( 0.000 0.000 6.137) 6.137 6.963 ( 0.000 0.000 12.271) 12.271 6.963 ( 0.000 0.000 12.271) 12.271 8.498 ( 0.000 0.000 9.799) 9.799 8.498 ( 0.000 0.000 9.799) 9.799 8.608 ( 0.000 0.000 14.046) 14.046 8.608 ( 0.000 0.000 14.046) 14.046 9.371 ( -0.000 -0.000 -8.102) 8.102 9.371 ( 0.000 0.000 -8.102) 8.102 9.625 ( 0.000 0.000 0.149) 0.149 9.625 ( -0.000 -0.000 0.149) 0.149 9.727 ( 0.000 0.000 1.820) 1.820 9.727 ( 0.000 0.000 1.820) 1.820 10.682 ( 0.000 0.000 1.743) 1.743 10.682 ( 0.000 0.000 1.743) 1.743 10.973 ( 0.000 0.000 -25.142) 25.142 10.973 ( 0.000 0.000 -25.142) 25.142 11.082 ( -0.000 -0.000 12.898) 12.898 11.082 ( 0.000 0.000 12.898) 12.898 11.566 ( 0.000 0.000 -10.112) 10.112 11.566 ( 0.000 0.000 -10.112) 10.112 12.005 ( 0.000 0.000 21.207) 21.207 12.005 ( 0.000 0.000 21.207) 21.207 12.503 ( 0.000 0.000 -4.104) 4.104 12.503 ( 0.000 0.000 -4.104) 4.104 12.659 ( 0.000 0.000 -0.196) 0.196 12.659 ( 0.000 0.000 -0.196) 0.196 12.838 ( 0.000 0.000 4.847) 4.847 12.838 ( 0.000 0.000 4.847) 4.847 14.073 ( 0.000 0.000 -4.171) 4.171 14.073 ( 0.000 0.000 -4.171) 4.171 14.116 ( 0.000 0.000 2.165) 2.165 14.116 ( 0.000 0.000 2.165) 2.165 14.317 ( -0.000 -0.000 -1.790) 1.790 14.317 ( 0.000 0.000 -1.790) 1.790 14.472 ( -0.000 -0.000 -1.454) 1.454 14.472 ( 0.000 0.000 -1.454) 1.454 14.751 ( 0.000 0.000 5.619) 5.619 14.751 ( -0.000 -0.000 5.619) 5.619 16.187 ( 0.000 0.000 1.527) 1.527 16.187 ( 0.000 0.000 1.527) 1.527 16.227 ( 0.000 0.000 -7.978) 7.978 16.227 ( 0.000 0.000 -7.978) 7.978 16.630 ( 0.000 0.000 -1.066) 1.066 16.630 ( 0.000 0.000 -1.066) 1.066 16.702 ( 0.000 0.000 -6.230) 6.230 16.702 ( 0.000 0.000 -6.230) 6.230 17.417 ( 0.000 0.000 -8.888) 8.888 17.417 ( 0.000 0.000 -8.888) 8.888 18.760 ( 0.000 0.000 0.971) 0.971 18.760 ( 0.000 0.000 0.971) 0.971 21.831 ( 0.000 0.000 4.233) 4.233 21.831 ( 0.000 0.000 4.233) 4.233 22.490 ( 0.000 0.000 3.596) 3.596 22.490 ( 0.000 0.000 3.596) 3.596 24.370 ( 0.000 0.000 -9.013) 9.013 24.370 ( 0.000 0.000 -9.013) 9.013 26.225 ( 0.000 0.000 -4.319) 4.319 26.225 ( 0.000 0.000 -4.319) 4.319 ======================= Grid point 162 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 0.000 0.000 44.399) 44.399 1.898 ( -0.000 0.000 44.399) 44.399 2.869 ( 0.000 0.000 61.621) 61.621 5.102 ( 0.000 0.000 -3.065) 3.065 5.102 ( 0.000 0.000 -3.065) 3.065 5.362 ( 0.000 0.000 -2.753) 2.753 7.080 ( -0.000 -0.000 -9.064) 9.064 7.080 ( -0.000 0.000 -9.064) 9.064 7.879 ( 0.000 0.000 -20.460) 20.460 7.879 ( 0.000 0.000 -20.460) 20.460 8.256 ( -0.000 0.000 6.848) 6.848 8.440 ( -0.000 0.000 7.586) 7.586 8.440 ( -0.000 -0.000 7.586) 7.586 8.804 ( 0.000 0.000 30.245) 30.245 9.221 ( 0.000 0.000 17.780) 17.780 9.280 ( 0.000 0.000 31.221) 31.221 9.604 ( 0.000 0.000 3.063) 3.063 9.604 ( 0.000 0.000 3.063) 3.063 9.732 ( 0.000 0.000 -22.971) 22.971 9.965 ( 0.000 0.000 7.405) 7.405 10.846 ( 0.000 0.000 14.865) 14.865 10.846 ( -0.000 -0.000 14.865) 14.865 11.134 ( 0.000 0.000 8.517) 8.517 11.269 ( -0.000 0.000 5.786) 5.786 11.347 ( 0.000 0.000 -2.819) 2.819 11.347 ( -0.000 -0.000 -2.819) 2.819 11.935 ( -0.000 0.000 6.263) 6.263 11.935 ( -0.000 0.000 6.263) 6.263 11.970 ( 0.000 0.000 -3.894) 3.894 12.069 ( -0.000 0.000 -5.029) 5.029 12.073 ( -0.000 -0.000 8.435) 8.435 12.160 ( 0.000 0.000 23.287) 23.287 12.315 ( 0.000 0.000 -8.989) 8.989 12.315 ( -0.000 0.000 -8.989) 8.989 12.779 ( -0.000 -0.000 7.642) 7.642 12.865 ( -0.000 -0.000 -21.665) 21.665 12.950 ( 0.000 0.000 -14.603) 14.603 13.913 ( -0.000 0.000 7.361) 7.361 13.920 ( 0.000 0.000 2.820) 2.820 13.920 ( 0.000 0.000 2.820) 2.820 14.420 ( 0.000 0.000 -3.400) 3.400 14.420 ( 0.000 0.000 -3.400) 3.400 14.782 ( -0.000 0.000 -4.631) 4.631 14.782 ( 0.000 0.000 -4.631) 4.631 14.822 ( 0.000 0.000 -11.318) 11.318 14.883 ( 0.000 0.000 -12.985) 12.985 15.512 ( 0.000 0.000 3.064) 3.064 15.736 ( 0.000 0.000 11.103) 11.103 15.736 ( -0.000 0.000 11.103) 11.103 15.801 ( -0.000 -0.000 -24.505) 24.505 16.097 ( 0.000 0.000 -5.182) 5.182 16.162 ( 0.000 0.000 -25.888) 25.888 16.961 ( -0.000 0.000 11.483) 11.483 17.935 ( 0.000 0.000 -3.043) 3.043 17.935 ( 0.000 0.000 -3.043) 3.043 18.091 ( 0.000 0.000 -0.190) 0.190 18.091 ( -0.000 0.000 -0.190) 0.190 18.606 ( 0.000 0.000 -8.050) 8.050 21.758 ( 0.000 -0.000 -3.380) 3.380 21.758 ( 0.000 0.000 -3.380) 3.380 22.140 ( -0.000 0.000 -2.491) 2.491 22.140 ( -0.000 -0.000 -2.491) 2.491 22.993 ( 0.000 0.000 15.327) 15.327 25.376 ( -0.000 -0.000 -16.084) 16.084 26.156 ( 0.000 0.000 0.584) 0.584 26.235 ( 0.000 0.000 3.886) 3.886 ======================= Grid point 163 (32/90) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 18.948 0.000 38.537) 42.944 2.113 ( 20.255 0.000 39.347) 44.254 3.142 ( 27.754 0.000 53.656) 60.409 4.987 ( -11.855 0.000 -2.269) 12.071 5.020 ( -9.293 0.000 -4.759) 10.441 5.393 ( 3.525 0.000 1.466) 3.818 7.109 ( 3.005 0.000 -7.628) 8.198 7.149 ( 6.735 0.000 -10.260) 12.273 7.830 ( -4.295 0.000 -17.485) 18.005 7.887 ( 0.587 0.000 -18.212) 18.222 8.162 ( -8.783 0.000 10.437) 13.641 8.491 ( 4.529 0.000 7.572) 8.823 8.510 ( 5.866 0.000 1.887) 6.163 8.804 ( -0.102 0.000 28.567) 28.567 9.185 ( -3.976 0.000 14.950) 15.469 9.207 ( -6.836 0.000 17.406) 18.700 9.563 ( -1.824 0.000 2.528) 3.117 9.576 ( -1.932 0.000 20.557) 20.647 9.832 ( 8.092 0.000 -20.968) 22.476 10.015 ( 4.705 0.000 5.250) 7.050 10.671 ( -12.798 0.000 12.104) 17.615 10.840 ( -0.673 0.000 14.707) 14.722 11.093 ( -4.280 0.000 4.723) 6.374 11.351 ( -0.479 0.000 -2.566) 2.611 11.414 ( 6.991 0.000 2.401) 7.392 11.464 ( 12.659 0.000 5.061) 13.633 11.541 ( -22.476 0.000 7.093) 23.569 11.811 ( -16.839 0.000 9.631) 19.399 11.831 ( -4.214 0.000 10.775) 11.569 11.987 ( -4.573 0.000 -9.866) 10.874 12.230 ( 5.956 0.000 -3.432) 6.874 12.254 ( 1.304 0.000 -1.268) 1.819 12.361 ( 8.575 0.000 10.366) 13.453 12.486 ( 7.547 0.000 -2.631) 7.992 12.791 ( 2.532 0.000 5.268) 5.845 12.871 ( 1.450 0.000 -18.273) 18.330 12.990 ( 4.129 0.000 -12.250) 12.927 13.786 ( -3.576 0.000 2.360) 4.284 13.902 ( -2.270 0.000 3.455) 4.134 14.311 ( 23.885 0.000 -5.487) 24.507 14.341 ( -6.896 0.000 -5.656) 8.919 14.452 ( 1.057 0.000 -4.002) 4.139 14.751 ( -2.441 0.000 -4.211) 4.868 14.839 ( 5.320 0.000 -10.114) 11.428 14.878 ( 8.700 0.000 -5.667) 10.383 14.921 ( 2.376 0.000 -10.755) 11.014 15.367 ( -11.093 0.000 7.385) 13.326 15.721 ( 0.085 0.000 -2.716) 2.718 15.879 ( 10.821 0.000 5.895) 12.323 15.896 ( 7.468 0.000 -13.717) 15.618 16.127 ( 3.064 0.000 -5.023) 5.884 16.183 ( 2.442 0.000 -23.027) 23.156 16.911 ( -5.412 0.000 9.327) 10.783 17.639 ( -22.882 0.000 4.863) 23.393 17.926 ( -0.904 0.000 -3.122) 3.250 18.071 ( -2.021 0.000 -0.366) 2.054 18.093 ( 1.040 0.000 0.268) 1.073 18.631 ( -0.728 0.000 -6.023) 6.067 21.770 ( 1.236 0.000 -3.346) 3.567 22.045 ( 12.325 0.000 -8.220) 14.814 22.123 ( -1.775 0.000 -2.525) 3.087 22.346 ( 29.714 0.000 -12.199) 32.121 22.968 ( -2.138 0.000 14.594) 14.750 25.245 ( -13.289 0.000 -13.292) 18.796 26.150 ( -0.780 0.000 0.419) 0.885 26.208 ( -1.497 0.000 3.948) 4.223 ======================= Grid point 164 (33/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 28.556 0.000 27.219) 39.450 2.584 ( 28.458 0.000 29.826) 41.224 3.825 ( 41.215 0.000 38.664) 56.512 4.673 ( -20.742 0.000 -0.045) 20.742 4.747 ( -19.185 0.000 -2.873) 19.399 5.470 ( 3.107 0.000 6.718) 7.402 7.187 ( 4.981 0.000 -3.817) 6.275 7.314 ( 10.210 0.000 -11.317) 15.243 7.750 ( -3.877 0.000 -9.779) 10.520 7.892 ( -0.305 0.000 -13.048) 13.052 7.972 ( -9.568 0.000 9.420) 13.427 8.573 ( 3.153 0.000 11.385) 11.813 8.574 ( -2.281 0.000 1.070) 2.519 8.773 ( -4.292 0.000 17.324) 17.847 9.114 ( 0.071 0.000 12.413) 12.413 9.118 ( 0.050 0.000 4.162) 4.162 9.539 ( -2.327 0.000 30.214) 30.303 9.567 ( 1.728 0.000 5.009) 5.299 9.976 ( 5.818 0.000 -20.109) 20.934 10.119 ( 5.797 0.000 7.878) 9.781 10.450 ( -9.930 0.000 9.703) 13.883 10.819 ( -1.301 0.000 13.178) 13.242 11.010 ( -3.599 0.000 5.016) 6.174 11.105 ( -22.057 0.000 9.087) 23.856 11.302 ( -7.879 0.000 5.895) 9.841 11.415 ( -5.168 0.000 3.547) 6.268 11.575 ( -5.830 0.000 2.543) 6.360 11.730 ( 13.503 0.000 4.787) 14.326 11.869 ( -7.284 0.000 -11.381) 13.512 11.895 ( 8.982 0.000 5.358) 10.458 12.247 ( 0.411 0.000 -6.087) 6.100 12.273 ( 0.118 0.000 -9.283) 9.284 12.499 ( -4.455 0.000 -0.404) 4.474 12.548 ( 8.807 0.000 14.304) 16.798 12.890 ( 6.106 0.000 2.915) 6.766 12.930 ( 4.237 0.000 -10.602) 11.417 13.099 ( 7.125 0.000 -5.447) 8.969 13.775 ( 2.735 0.000 -1.806) 3.277 13.810 ( -7.860 0.000 4.076) 8.854 14.232 ( -3.046 0.000 -7.539) 8.131 14.402 ( -5.820 0.000 -6.799) 8.950 14.649 ( 12.277 0.000 -4.018) 12.918 14.689 ( -4.564 0.000 -3.796) 5.936 14.929 ( 4.352 0.000 -6.647) 7.945 14.943 ( -0.056 0.000 -8.047) 8.047 15.153 ( -10.612 0.000 10.077) 14.634 15.200 ( 20.958 0.000 -11.012) 23.675 15.746 ( 2.301 0.000 -9.706) 9.975 16.020 ( 4.500 0.000 -17.575) 18.142 16.084 ( 10.124 0.000 1.648) 10.257 16.203 ( 4.568 0.000 -4.580) 6.468 16.266 ( 5.842 0.000 -12.243) 13.566 16.766 ( -8.669 0.000 3.694) 9.424 17.273 ( -14.727 0.000 9.339) 17.439 17.905 ( -1.178 0.000 -3.222) 3.430 18.019 ( -3.313 0.000 -0.893) 3.431 18.126 ( 2.386 0.000 0.822) 2.523 18.557 ( -6.388 0.000 -2.563) 6.883 21.805 ( 2.411 0.000 -3.248) 4.046 22.075 ( -3.175 0.000 -2.623) 4.119 22.192 ( 7.020 0.000 -1.622) 7.205 22.788 ( -0.013 0.000 4.054) 4.054 23.123 ( 28.439 0.000 -15.433) 32.356 24.919 ( -19.824 0.000 -9.821) 22.124 26.138 ( -0.077 0.000 0.096) 0.123 26.197 ( -0.112 0.000 1.671) 1.675 ======================= Grid point 165 (34/90) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 30.761 0.000 16.904) 35.099 3.160 ( 31.673 0.000 19.678) 37.288 4.224 ( -26.212 0.000 3.581) 26.455 4.309 ( -26.596 0.000 3.176) 26.785 4.591 ( 37.296 0.000 26.181) 45.568 5.450 ( -6.699 0.000 11.647) 13.436 7.292 ( 6.189 0.000 0.904) 6.255 7.519 ( 11.177 0.000 -11.622) 16.124 7.625 ( -10.002 0.000 5.274) 11.308 7.857 ( -4.121 0.000 -10.559) 11.335 7.917 ( 5.292 0.000 -1.347) 5.461 8.395 ( -14.324 0.000 3.738) 14.804 8.588 ( -0.819 0.000 16.403) 16.423 8.676 ( -4.409 0.000 11.326) 12.153 9.221 ( 9.124 0.000 15.298) 17.812 9.236 ( 10.612 0.000 -7.011) 12.718 9.481 ( -3.804 0.000 26.279) 26.553 9.578 ( -2.421 0.000 -1.093) 2.656 10.044 ( 2.943 0.000 -8.993) 9.463 10.225 ( 5.733 0.000 13.192) 14.384 10.290 ( -7.769 0.000 7.287) 10.651 10.689 ( -19.302 0.000 8.330) 21.023 10.830 ( 1.563 0.000 14.180) 14.266 11.001 ( 3.337 0.000 5.013) 6.023 11.106 ( -10.931 0.000 12.894) 16.904 11.283 ( -8.163 0.000 3.637) 8.937 11.562 ( 2.436 0.000 -7.305) 7.700 11.735 ( -6.385 0.000 -12.102) 13.683 11.937 ( 7.905 0.000 -1.653) 8.075 12.034 ( 3.408 0.000 -2.987) 4.532 12.273 ( 0.467 0.000 -9.871) 9.882 12.337 ( 9.945 0.000 3.063) 10.406 12.392 ( -5.690 0.000 -2.770) 6.329 12.645 ( 0.398 0.000 10.580) 10.587 12.977 ( 3.162 0.000 0.646) 3.227 13.000 ( 2.383 0.000 -3.466) 4.206 13.253 ( 8.989 0.000 2.054) 9.220 13.624 ( -10.682 0.000 3.276) 11.173 13.885 ( 8.372 0.000 -5.028) 9.766 14.244 ( 4.066 0.000 -6.185) 7.402 14.255 ( -9.229 0.000 -7.341) 11.792 14.560 ( -9.169 0.000 -3.749) 9.906 14.834 ( 7.923 0.000 -2.319) 8.256 14.930 ( -0.746 0.000 -3.949) 4.019 14.982 ( 0.781 0.000 -2.715) 2.825 14.998 ( -5.421 0.000 8.661) 10.218 15.564 ( 16.318 0.000 -11.866) 20.176 15.793 ( 2.098 0.000 -14.091) 14.246 16.072 ( 1.973 0.000 -18.964) 19.066 16.242 ( 6.185 0.000 -1.148) 6.291 16.282 ( 3.321 0.000 -3.854) 5.087 16.295 ( -5.494 0.000 -5.498) 7.773 16.701 ( 4.442 0.000 -0.421) 4.462 17.049 ( -10.165 0.000 7.037) 12.364 17.889 ( -0.186 0.000 -3.066) 3.072 17.954 ( -3.285 0.000 -1.693) 3.695 18.185 ( 3.981 0.000 1.278) 4.181 18.417 ( -7.778 0.000 -0.234) 7.782 21.860 ( 3.393 0.000 -3.104) 4.599 22.007 ( -3.935 0.000 -2.768) 4.811 22.339 ( 8.494 0.000 2.544) 8.867 22.676 ( -8.259 0.000 9.042) 12.246 23.666 ( 26.146 0.000 -19.452) 32.588 24.527 ( -21.162 0.000 -10.619) 23.677 26.150 ( 1.179 0.000 -0.885) 1.474 26.192 ( -0.563 0.000 -0.056) 0.566 ======================= Grid point 166 (35/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( -29.404 0.000 9.056) 30.767 3.695 ( 29.404 0.000 9.056) 30.767 3.758 ( -30.947 0.000 10.653) 32.729 3.758 ( 30.947 0.000 10.653) 32.729 5.173 ( -23.055 0.000 17.720) 29.078 5.173 ( 23.055 0.000 17.720) 29.078 7.434 ( -9.100 0.000 5.092) 10.428 7.434 ( 9.100 0.000 5.092) 10.428 7.722 ( -9.669 0.000 -11.234) 14.822 7.722 ( 9.669 0.000 -11.234) 14.822 8.113 ( -13.918 0.000 0.849) 13.944 8.113 ( 13.918 0.000 0.849) 13.944 8.605 ( -2.928 0.000 15.516) 15.790 8.605 ( 2.928 0.000 15.516) 15.790 9.384 ( -6.959 0.000 19.572) 20.772 9.384 ( 6.959 0.000 19.572) 20.772 9.448 ( -10.368 0.000 -8.739) 13.559 9.448 ( 10.368 0.000 -8.739) 13.559 10.142 ( -7.308 0.000 3.474) 8.092 10.142 ( 7.308 0.000 3.474) 8.092 10.381 ( -12.090 0.000 12.947) 17.714 10.381 ( 12.090 0.000 12.947) 17.714 10.924 ( -7.801 0.000 12.488) 14.725 10.924 ( 7.801 0.000 12.488) 14.725 11.121 ( -8.351 0.000 3.593) 9.092 11.121 ( 8.351 0.000 3.593) 9.092 11.632 ( -4.650 0.000 -10.729) 11.693 11.632 ( 4.650 0.000 -10.729) 11.693 12.034 ( -2.625 0.000 -5.195) 5.820 12.034 ( 2.625 0.000 -5.195) 5.820 12.306 ( -3.170 0.000 -6.672) 7.387 12.306 ( 3.170 0.000 -6.672) 7.387 12.549 ( -9.847 0.000 8.055) 12.722 12.549 ( 9.847 0.000 8.055) 12.722 13.014 ( -0.769 0.000 -0.629) 0.993 13.014 ( 0.769 0.000 -0.629) 0.993 13.431 ( -9.691 0.000 3.769) 10.398 13.431 ( 9.691 0.000 3.769) 10.398 14.067 ( -10.239 0.000 -6.832) 12.309 14.067 ( 10.239 0.000 -6.832) 12.309 14.374 ( -9.240 0.000 -4.209) 10.153 14.374 ( 9.240 0.000 -4.209) 10.153 14.936 ( -1.595 0.000 2.455) 2.928 14.936 ( 1.595 0.000 2.455) 2.928 14.950 ( -4.108 0.000 -1.678) 4.437 14.950 ( 4.108 0.000 -1.678) 4.437 15.779 ( -5.399 0.000 -13.870) 14.883 15.779 ( 5.399 0.000 -13.870) 14.883 16.145 ( -6.976 0.000 -11.661) 13.588 16.145 ( 6.976 0.000 -11.661) 13.588 16.309 ( -0.882 0.000 -2.817) 2.952 16.309 ( 0.882 0.000 -2.817) 2.952 16.860 ( -9.994 0.000 2.670) 10.344 16.860 ( 9.994 0.000 2.670) 10.344 17.904 ( -1.798 0.000 -2.516) 3.092 17.904 ( 1.798 0.000 -2.516) 3.092 18.281 ( -6.240 0.000 1.048) 6.327 18.281 ( 6.240 0.000 1.048) 6.327 21.931 ( -3.973 0.000 -2.936) 4.940 21.931 ( 3.973 0.000 -2.936) 4.940 22.508 ( -9.181 0.000 6.366) 11.172 22.508 ( 9.181 0.000 6.366) 11.172 24.119 ( -22.293 0.000 -14.538) 26.615 24.119 ( 22.293 0.000 -14.538) 26.615 26.174 ( -1.247 0.000 -0.971) 1.580 26.174 ( 1.247 0.000 -0.971) 1.580 ======================= Grid point 172 (36/90) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 14.056 14.056 38.396) 43.237 2.343 ( 19.004 19.004 33.665) 43.077 3.396 ( 25.390 25.390 45.918) 58.291 4.801 ( -12.527 -12.527 -4.188) 18.205 5.139 ( 1.940 1.940 -2.098) 3.454 5.323 ( -4.077 -4.077 3.474) 6.732 7.020 ( -3.920 -3.920 -8.226) 9.920 7.277 ( 7.348 7.348 -6.381) 12.195 7.733 ( -6.609 -6.609 -15.027) 17.696 7.866 ( -3.311 -3.311 -10.536) 11.530 8.135 ( -2.981 -2.981 6.242) 7.532 8.534 ( 2.276 2.276 7.221) 7.906 8.595 ( 8.991 8.991 0.131) 12.716 8.796 ( -1.026 -1.026 21.555) 21.604 9.068 ( -6.056 -6.056 13.765) 16.212 9.288 ( 1.930 1.930 20.601) 20.781 9.474 ( -4.592 -4.592 2.512) 6.964 9.591 ( -0.616 -0.616 23.349) 23.366 9.872 ( 3.813 3.813 -22.371) 23.012 10.074 ( 5.507 5.507 4.473) 8.982 10.566 ( -9.464 -9.464 11.524) 17.662 10.816 ( -0.785 -0.785 13.031) 13.079 11.189 ( -9.614 -9.614 6.393) 15.024 11.192 ( 3.810 3.810 2.497) 5.939 11.335 ( -7.810 -7.810 1.581) 11.157 11.546 ( -6.298 -6.298 10.385) 13.681 11.584 ( 2.268 2.268 0.104) 3.209 11.633 ( 5.649 5.649 5.549) 9.727 11.864 ( -8.473 -8.473 5.469) 13.171 11.942 ( -1.198 -1.198 -4.638) 4.938 12.168 ( 2.476 2.476 2.793) 4.479 12.405 ( 4.280 4.280 -5.900) 8.453 12.429 ( -0.284 -0.284 -1.450) 1.504 12.479 ( 6.102 6.102 5.455) 10.208 12.790 ( 0.471 0.471 4.795) 4.841 12.890 ( 2.608 2.608 -15.115) 15.558 13.046 ( 5.654 5.654 -9.145) 12.148 13.732 ( -3.157 -3.157 0.618) 4.508 13.940 ( 1.076 1.076 2.534) 2.956 14.347 ( 1.141 1.141 0.033) 1.614 14.363 ( -3.024 -3.024 -5.493) 6.962 14.497 ( 7.786 7.786 -11.153) 15.673 14.765 ( -0.137 -0.137 -5.913) 5.916 14.872 ( 5.529 5.529 -6.140) 9.941 14.881 ( 2.185 2.185 -6.518) 7.213 14.974 ( 3.684 3.684 -10.857) 12.043 15.297 ( -5.575 -5.575 8.984) 11.953 15.727 ( 1.305 1.305 -6.303) 6.568 15.931 ( 3.649 3.649 -14.740) 15.617 15.977 ( 8.185 8.185 4.551) 12.438 16.159 ( 3.109 3.109 -5.432) 6.989 16.211 ( 3.176 3.176 -19.684) 20.190 16.883 ( -3.296 -3.296 8.004) 9.263 17.377 ( -19.110 -19.110 7.074) 27.936 17.861 ( -5.867 -5.867 -3.014) 8.828 18.122 ( 1.814 1.814 -2.278) 3.430 18.180 ( 5.904 5.904 0.903) 8.398 18.590 ( -3.591 -3.591 -3.966) 6.444 21.784 ( 1.288 1.288 -2.013) 2.715 22.111 ( 4.799 4.799 -5.686) 8.854 22.113 ( -1.346 -1.346 -1.343) 2.330 22.623 ( 26.435 26.435 -22.128) 43.442 22.938 ( -2.785 -2.785 14.417) 14.946 25.132 ( -11.388 -11.388 -11.428) 19.748 26.149 ( -0.362 -0.362 -0.363) 0.628 26.186 ( -1.390 -1.390 3.722) 4.209 ======================= Grid point 173 (37/90) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 25.666 7.800 30.498) 40.616 2.785 ( 27.102 15.760 26.098) 40.792 4.010 ( 36.659 18.459 32.168) 52.147 4.514 ( -17.986 -9.839 -1.800) 20.580 4.932 ( -19.512 11.785 1.226) 22.827 5.382 ( 5.443 -8.879 5.792) 11.917 6.983 ( -0.065 -13.324 -4.886) 14.192 7.326 ( -3.636 -10.486 -1.946) 11.268 7.695 ( 2.046 4.183 -9.504) 10.584 7.785 ( -1.577 -8.912 0.117) 9.052 8.075 ( -3.230 4.973 -2.820) 6.566 8.531 ( -3.473 -2.377 15.053) 15.630 8.734 ( 2.218 12.805 0.067) 12.995 8.765 ( -1.695 -0.355 4.145) 4.492 9.050 ( 6.057 -2.077 15.930) 17.169 9.228 ( -4.403 7.051 9.340) 12.503 9.483 ( 3.354 -4.872 15.386) 16.484 9.580 ( 0.126 0.599 18.871) 18.881 9.923 ( 0.243 -4.006 -20.208) 20.603 10.196 ( 6.732 6.132 6.083) 10.951 10.385 ( -8.663 -6.323 9.759) 14.500 10.803 ( -1.382 -0.717 9.882) 10.004 10.937 ( -12.695 -8.140 11.503) 18.967 11.152 ( -7.940 3.501 1.241) 8.766 11.281 ( -2.000 0.825 1.739) 2.776 11.367 ( -8.098 -6.128 9.321) 13.784 11.552 ( -5.549 -1.756 0.779) 5.872 11.701 ( -3.762 -9.094 -3.422) 10.420 11.845 ( 9.715 7.985 3.087) 12.948 11.996 ( 7.022 4.945 1.148) 8.665 12.220 ( 1.220 -1.790 -6.780) 7.118 12.353 ( -0.982 6.880 -2.517) 7.392 12.461 ( -2.802 -1.988 -2.766) 4.411 12.590 ( 5.444 3.079 9.021) 10.977 12.848 ( 5.292 -4.045 2.298) 7.046 12.955 ( 3.342 2.398 -10.519) 11.295 13.190 ( 8.925 8.972 -1.637) 12.760 13.715 ( 1.658 -2.875 -1.884) 3.816 13.907 ( -4.626 6.512 2.598) 8.400 14.237 ( -4.313 0.366 -6.661) 7.944 14.376 ( -3.117 -4.047 -4.773) 6.991 14.617 ( 5.408 -0.618 -4.083) 6.804 14.737 ( -2.649 2.691 -5.102) 6.347 14.922 ( 1.525 -0.607 -3.933) 4.262 14.959 ( 1.188 1.389 -5.697) 5.983 15.008 ( -3.263 -10.051 3.607) 11.166 15.333 ( 12.822 8.997 -4.856) 16.399 15.769 ( 2.858 2.458 -12.708) 13.256 16.005 ( 3.452 -0.910 -17.655) 18.012 16.139 ( 8.068 4.751 1.601) 9.499 16.233 ( 4.477 2.918 -5.446) 7.630 16.305 ( 5.913 4.059 -10.990) 13.124 16.768 ( -8.357 0.254 3.335) 9.001 17.089 ( -10.070 -15.454 8.211) 20.190 17.750 ( -5.128 -11.615 -3.245) 13.105 18.078 ( -6.378 2.554 -3.813) 7.857 18.278 ( 4.617 10.556 0.984) 11.563 18.523 ( -3.178 -2.130 -0.699) 3.889 21.818 ( 2.309 1.262 -1.214) 2.898 22.071 ( -2.911 -0.551 -0.823) 3.075 22.216 ( 6.530 2.613 -2.075) 7.333 22.828 ( -5.915 1.698 9.982) 11.727 23.203 ( 28.759 9.643 -22.973) 38.051 24.848 ( -17.595 -7.271 -9.397) 21.231 26.137 ( -0.341 -0.070 -0.827) 0.898 26.177 ( 0.039 -1.685 1.077) 2.000 ======================= Grid point 174 (38/90) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 28.546 3.355 20.483) 35.294 3.341 ( 30.806 13.232 17.891) 38.003 4.122 ( -23.171 -5.022 3.517) 23.968 4.484 ( -26.289 11.593 4.939) 29.153 4.691 ( 32.420 10.380 21.606) 40.319 5.412 ( -3.807 -3.535 9.283) 10.638 7.005 ( 2.181 -21.054 -0.195) 21.168 7.204 ( -7.559 -24.199 1.653) 25.406 7.676 ( 0.895 -7.567 3.199) 8.265 7.932 ( 6.237 7.821 -6.187) 11.762 7.986 ( -1.207 3.185 -4.136) 5.358 8.448 ( -5.632 8.275 9.185) 13.585 8.651 ( -5.792 4.826 6.607) 10.025 8.743 ( -2.183 6.519 10.116) 12.231 9.203 ( 6.454 -1.573 9.426) 11.532 9.264 ( 7.881 3.052 5.692) 10.189 9.510 ( -0.254 2.662 15.936) 16.159 9.599 ( -0.223 1.833 4.740) 5.087 9.904 ( 0.802 -10.777 -6.330) 12.524 10.205 ( -8.721 -6.579 8.984) 14.144 10.333 ( 5.188 6.040 8.456) 11.615 10.662 ( -11.650 -2.059 3.719) 12.401 10.845 ( 1.904 1.441 12.080) 12.314 11.036 ( -3.837 0.791 4.303) 5.820 11.161 ( -7.221 7.053 9.781) 14.056 11.232 ( -6.607 -5.228 1.885) 8.633 11.515 ( 0.884 -5.171 -2.766) 5.930 11.625 ( -3.964 -7.612 -8.773) 12.273 12.003 ( 6.355 5.756 -1.590) 8.721 12.098 ( 1.494 5.054 -2.943) 6.036 12.271 ( 3.448 -0.045 -6.813) 7.636 12.360 ( -1.796 -1.038 -1.149) 2.371 12.417 ( 4.508 6.390 0.729) 7.854 12.660 ( 0.736 0.855 9.902) 9.966 12.939 ( 3.608 -3.293 0.130) 4.887 12.996 ( 0.791 -0.002 -5.107) 5.168 13.364 ( 9.293 10.395 3.223) 14.311 13.704 ( -7.002 7.220 0.795) 10.090 13.873 ( 5.886 -0.469 -3.384) 6.805 14.194 ( -3.747 -2.918 -7.689) 9.037 14.293 ( -1.488 1.084 -4.277) 4.657 14.570 ( -9.566 0.512 -2.366) 9.867 14.768 ( 5.206 -5.840 -2.025) 8.081 14.914 ( -1.836 -2.771 -1.311) 3.573 14.939 ( -1.084 -3.926 4.635) 6.170 14.982 ( 0.020 -0.989 -0.319) 1.039 15.617 ( 14.285 5.530 -10.283) 18.450 15.822 ( 2.110 2.850 -15.886) 16.277 16.056 ( 2.391 -1.549 -18.163) 18.385 16.243 ( 0.353 0.373 -1.352) 1.447 16.314 ( 3.545 3.151 -4.283) 6.391 16.355 ( -0.931 5.308 -5.144) 7.450 16.690 ( 3.187 -1.088 -0.984) 3.508 16.951 ( -6.269 -8.911 5.789) 12.337 17.692 ( -0.333 -14.915 -3.557) 15.337 17.915 ( -9.736 -4.969 -4.152) 11.693 18.356 ( 3.598 12.000 1.032) 12.570 18.469 ( -2.693 5.369 0.848) 6.066 21.870 ( 3.200 0.986 -0.938) 3.477 22.008 ( -3.682 0.027 -0.753) 3.758 22.357 ( 8.233 1.933 1.948) 8.678 22.688 ( -8.365 0.880 9.102) 12.393 23.702 ( 23.790 3.779 -20.148) 31.403 24.494 ( -19.386 -3.439 -10.728) 22.422 26.143 ( 0.832 -0.655 -1.746) 2.042 26.175 ( -0.378 -1.555 -0.869) 1.821 ======================= Grid point 175 (39/90) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( -25.649 -0.788 11.568) 28.148 3.628 ( 25.649 -0.788 11.568) 28.148 3.943 ( -29.077 12.433 10.248) 33.242 3.943 ( 29.077 12.433 10.248) 33.242 5.196 ( -19.493 2.625 14.141) 24.224 5.196 ( 19.493 2.625 14.141) 24.224 7.075 ( -5.465 -25.709 3.045) 26.460 7.075 ( 5.465 -25.709 3.045) 26.460 7.780 ( -9.128 -6.459 -0.325) 11.187 7.780 ( 9.128 -6.459 -0.325) 11.187 8.233 ( -14.983 14.552 -2.441) 21.028 8.233 ( 14.983 14.552 -2.441) 21.028 8.667 ( -4.923 5.756 13.804) 15.746 8.667 ( 4.923 5.756 13.804) 15.746 9.317 ( -4.006 -3.859 9.093) 10.659 9.317 ( 4.006 -3.859 9.093) 10.659 9.540 ( -4.134 5.922 2.193) 7.548 9.540 ( 4.134 5.922 2.193) 7.548 10.017 ( -9.698 -9.710 6.263) 15.085 10.017 ( 9.698 -9.710 6.263) 15.085 10.460 ( -8.777 4.980 7.083) 12.329 10.460 ( 8.777 4.980 7.083) 12.329 10.936 ( -6.682 0.651 9.271) 11.447 10.936 ( 6.682 0.651 9.271) 11.447 11.129 ( -3.472 0.917 3.097) 4.742 11.129 ( 3.472 0.917 3.097) 4.742 11.557 ( -3.146 -5.952 -6.728) 9.518 11.557 ( 3.146 -5.952 -6.728) 9.518 12.085 ( -2.421 4.117 -4.166) 6.337 12.085 ( 2.421 4.117 -4.166) 6.337 12.310 ( -1.937 1.047 -5.643) 6.058 12.310 ( 1.937 1.047 -5.643) 6.058 12.585 ( -8.357 3.055 7.753) 11.802 12.585 ( 8.357 3.055 7.753) 11.802 12.986 ( -1.629 -2.174 -1.510) 3.108 12.986 ( 1.629 -2.174 -1.510) 3.108 13.539 ( -9.168 10.348 2.954) 14.137 13.539 ( 9.168 10.348 2.954) 14.137 14.041 ( -9.960 -2.354 -6.309) 12.023 14.041 ( 9.960 -2.354 -6.309) 12.023 14.383 ( -8.665 0.105 -2.826) 9.115 14.383 ( 8.665 0.105 -2.826) 9.115 14.854 ( -3.889 -5.622 1.051) 6.916 14.854 ( 3.889 -5.622 1.051) 6.916 14.961 ( -1.994 -1.155 0.357) 2.332 14.961 ( 1.994 -1.155 0.357) 2.332 15.810 ( -4.873 3.352 -13.916) 15.121 15.810 ( 4.873 3.352 -13.916) 15.121 16.135 ( -6.891 -0.836 -10.499) 12.586 16.135 ( 6.891 -0.836 -10.499) 12.586 16.356 ( -0.616 4.239 -3.559) 5.569 16.356 ( 0.616 4.239 -3.559) 5.569 16.818 ( -7.820 -4.080 1.626) 8.969 16.818 ( 7.820 -4.080 1.626) 8.969 17.752 ( -6.510 -12.433 -3.825) 14.546 17.752 ( 6.510 -12.433 -3.825) 14.546 18.416 ( -2.911 10.528 1.124) 10.981 18.416 ( 2.911 10.528 1.124) 10.981 21.937 ( -3.731 0.547 -0.810) 3.857 21.937 ( 3.731 0.547 -0.810) 3.857 22.522 ( -8.960 1.344 5.928) 10.827 22.522 ( 8.960 1.344 5.928) 10.827 24.118 ( -20.592 -0.113 -14.795) 25.356 24.118 ( 20.592 -0.113 -14.795) 25.356 26.162 ( -0.977 -1.206 -1.837) 2.405 26.162 ( 0.977 -1.206 -1.837) 2.405 ======================= Grid point 182 (40/90) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 19.356 19.356 28.396) 39.442 3.150 ( 22.510 22.510 22.783) 39.146 4.312 ( -11.954 -11.954 0.199) 16.906 4.457 ( 26.627 26.627 19.919) 42.600 5.036 ( -10.428 -10.428 11.142) 18.483 5.248 ( 3.655 3.655 -1.716) 5.446 6.754 ( -10.315 -10.315 -0.613) 14.601 7.032 ( -16.831 -16.831 2.049) 23.891 7.551 ( -9.800 -9.800 9.964) 17.069 7.936 ( 14.154 14.154 -10.461) 22.585 8.049 ( -8.296 -8.296 -0.182) 11.734 8.519 ( 2.899 2.899 15.771) 16.295 8.775 ( 1.058 1.058 3.227) 3.557 8.982 ( 7.534 7.534 -13.637) 17.306 9.019 ( 1.382 1.382 22.623) 22.707 9.378 ( 1.346 1.346 8.435) 8.647 9.382 ( 2.927 2.927 18.722) 19.174 9.601 ( 1.750 1.750 15.427) 15.624 9.822 ( -7.058 -7.058 -18.337) 20.878 10.236 ( -8.508 -8.508 9.488) 15.323 10.321 ( 6.437 6.437 5.975) 10.888 10.760 ( -8.093 -8.093 4.559) 12.320 10.817 ( 1.020 1.020 6.244) 6.409 11.173 ( -1.182 -1.182 -4.531) 4.830 11.190 ( -9.240 -9.240 9.317) 16.048 11.352 ( 1.209 1.209 4.510) 4.824 11.484 ( -6.513 -6.513 10.409) 13.900 11.529 ( -4.313 -4.313 -10.533) 12.172 12.045 ( 10.441 10.441 7.146) 16.404 12.098 ( 6.666 6.666 -1.238) 9.508 12.207 ( -0.359 -0.359 -7.605) 7.622 12.376 ( -1.533 -1.533 0.945) 2.365 12.481 ( 1.350 1.350 -1.436) 2.389 12.699 ( 6.334 6.334 5.006) 10.262 12.772 ( -1.398 -1.398 2.277) 3.016 13.001 ( 1.854 1.854 -9.653) 10.003 13.396 ( 11.608 11.608 2.750) 16.645 13.698 ( 1.740 1.740 -2.451) 3.473 14.007 ( 2.631 2.631 0.664) 3.779 14.218 ( -4.040 -4.040 -8.613) 10.335 14.279 ( -3.108 -3.108 -2.348) 4.983 14.619 ( 0.499 0.499 -2.211) 2.320 14.785 ( -10.959 -10.959 4.106) 16.033 14.789 ( 0.986 0.986 -5.842) 6.006 14.907 ( -1.418 -1.418 2.335) 3.078 14.978 ( 0.180 0.180 -0.567) 0.621 15.534 ( 12.050 12.050 -6.508) 18.241 15.830 ( 3.519 3.519 -17.642) 18.331 15.998 ( 0.252 0.252 -18.613) 18.616 16.232 ( 4.332 4.332 1.980) 6.438 16.302 ( 4.164 4.164 -5.769) 8.244 16.408 ( 5.994 5.994 -8.697) 12.145 16.768 ( -2.499 -2.499 1.877) 4.002 16.808 ( -10.365 -10.365 4.984) 15.482 17.537 ( -10.040 -10.040 -4.125) 14.785 18.003 ( -10.241 -10.241 -7.272) 16.206 18.452 ( 7.411 7.411 1.320) 10.563 18.534 ( 3.113 3.113 1.404) 4.621 21.850 ( 2.064 2.064 1.648) 3.352 22.049 ( -1.861 -1.861 1.992) 3.300 22.292 ( 5.290 5.290 -1.510) 7.632 22.801 ( -4.143 -4.143 11.742) 13.123 23.475 ( 17.219 17.219 -25.120) 34.986 24.658 ( -12.267 -12.267 -9.395) 19.729 26.132 ( -0.503 -0.503 -2.794) 2.883 26.153 ( -0.664 -0.664 -0.532) 1.079 ======================= Grid point 183 (41/90) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 23.073 12.741 21.771) 34.185 3.625 ( 26.985 16.490 18.139) 36.457 4.048 ( -16.011 -3.296 5.286) 17.180 4.665 ( -23.808 5.294 10.761) 26.658 4.946 ( 22.610 15.136 10.662) 29.223 5.354 ( 2.447 -1.276 1.581) 3.181 6.606 ( -4.945 -19.905 4.020) 20.900 6.747 ( -12.401 -22.909 5.004) 26.527 7.453 ( 0.375 -11.772 10.802) 15.982 7.815 ( -14.396 -12.853 5.231) 19.995 8.219 ( 15.524 14.529 -6.728) 22.301 8.641 ( 8.842 8.249 13.240) 17.931 8.749 ( -6.845 6.538 4.283) 10.390 8.900 ( -5.149 9.399 9.805) 14.526 9.159 ( 4.861 -3.397 4.415) 7.393 9.340 ( -1.992 3.809 8.106) 9.175 9.546 ( 7.746 -0.614 12.356) 14.597 9.643 ( 2.205 2.967 7.574) 8.428 9.705 ( -1.547 -7.876 -9.543) 12.470 10.059 ( -10.441 -8.209 8.432) 15.732 10.432 ( 4.895 4.498 5.421) 8.578 10.625 ( -5.898 -1.929 -4.541) 7.689 10.858 ( 2.458 -1.348 2.342) 3.653 10.995 ( -8.393 -6.117 6.581) 12.295 11.158 ( -0.895 1.573 -1.229) 2.188 11.311 ( -6.341 5.292 2.754) 8.706 11.395 ( 0.953 -4.470 7.172) 8.504 11.509 ( -1.050 -5.179 -3.411) 6.290 12.149 ( 2.178 8.465 -0.931) 8.790 12.188 ( 0.326 4.386 -0.655) 4.446 12.281 ( 7.118 1.514 -2.597) 7.726 12.344 ( -1.321 -0.413 -2.579) 2.926 12.536 ( 5.002 3.674 3.939) 7.351 12.689 ( -1.769 3.175 6.650) 7.578 12.877 ( 5.859 -2.400 1.258) 6.455 13.007 ( -1.423 0.749 -6.012) 6.224 13.599 ( 9.729 13.333 3.783) 16.933 13.798 ( 8.149 1.797 -3.141) 8.916 13.952 ( -7.060 9.437 -1.448) 11.874 14.141 ( -4.562 -2.452 -7.736) 9.310 14.265 ( 1.582 -4.238 -2.673) 5.254 14.535 ( -12.298 -5.752 2.502) 13.805 14.653 ( 3.151 -4.960 0.539) 5.901 14.827 ( -1.503 -6.302 -3.691) 7.456 14.876 ( 0.472 -1.345 5.745) 5.919 14.964 ( -1.511 -1.207 1.761) 2.616 15.764 ( 11.240 9.696 -7.371) 16.573 15.888 ( 2.294 3.581 -18.909) 19.381 16.020 ( 2.425 -2.103 -17.402) 17.696 16.260 ( -3.122 1.297 0.955) 3.513 16.382 ( 4.011 3.679 -4.967) 7.368 16.470 ( -0.588 6.265 -5.728) 8.509 16.661 ( 0.605 -2.133 -1.768) 2.835 16.777 ( -1.106 -8.064 1.751) 8.326 17.413 ( -1.612 -13.521 -5.850) 14.820 17.753 ( -14.629 -11.620 -7.391) 20.092 18.559 ( 4.014 8.993 1.104) 9.910 18.593 ( 2.191 6.765 1.200) 7.211 21.895 ( 2.657 1.519 3.163) 4.401 22.004 ( -2.772 -0.532 3.336) 4.369 22.411 ( 7.092 3.654 1.506) 8.119 22.693 ( -6.871 -0.769 9.080) 11.413 23.805 ( 17.044 6.839 -20.555) 27.564 24.401 ( -14.564 -6.238 -11.393) 19.514 26.127 ( 0.165 -0.903 -3.803) 3.913 26.145 ( -0.390 -1.421 -2.775) 3.142 ======================= Grid point 184 (42/90) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( -20.683 5.839 13.472) 25.365 3.682 ( 20.683 5.839 13.472) 25.365 4.167 ( -27.707 10.529 13.269) 32.475 4.167 ( 27.707 10.529 13.269) 32.475 5.276 ( -11.104 5.604 4.897) 13.367 5.276 ( 11.104 5.604 4.897) 13.367 6.590 ( -3.729 -24.323 6.214) 25.380 6.590 ( 3.729 -24.323 6.214) 25.380 7.565 ( -10.691 -13.103 8.493) 18.924 7.565 ( 10.691 -13.103 8.493) 18.924 8.515 ( -15.254 12.663 -2.750) 20.016 8.515 ( 15.254 12.663 -2.750) 20.016 8.804 ( -7.065 8.591 15.466) 19.050 8.804 ( 7.065 8.591 15.466) 19.050 9.248 ( -5.731 -3.801 4.775) 8.372 9.248 ( 5.731 -3.801 4.775) 8.372 9.636 ( -2.244 3.851 4.126) 6.073 9.636 ( 2.244 3.851 4.126) 6.073 9.843 ( -11.633 -7.799 4.945) 14.853 9.843 ( 11.633 -7.799 4.945) 14.853 10.521 ( -5.138 1.502 -0.071) 5.354 10.521 ( 5.138 1.502 -0.071) 5.354 10.901 ( -2.488 -4.429 1.352) 5.257 10.901 ( 2.488 -4.429 1.352) 5.257 11.189 ( -4.673 5.611 3.140) 7.949 11.189 ( 4.673 5.611 3.140) 7.949 11.458 ( -3.885 -3.983 1.084) 5.669 11.458 ( 3.885 -3.983 1.084) 5.669 12.176 ( -1.311 5.489 -0.038) 5.644 12.176 ( 1.311 5.489 -0.038) 5.644 12.339 ( -0.334 1.490 -5.564) 5.770 12.339 ( 0.334 1.490 -5.564) 5.770 12.641 ( -4.461 2.598 8.011) 9.530 12.641 ( 4.461 2.598 8.011) 9.530 12.957 ( -3.351 -0.727 -1.823) 3.884 12.957 ( 3.351 -0.727 -1.823) 3.884 13.775 ( -8.861 13.409 1.010) 16.104 13.775 ( 8.861 13.409 1.010) 16.104 13.998 ( -9.647 -1.509 -5.223) 11.074 13.998 ( 9.647 -1.509 -5.223) 11.074 14.348 ( -7.077 -4.002 -0.623) 8.154 14.348 ( 7.077 -4.002 -0.623) 8.154 14.740 ( -5.496 -6.685 1.199) 8.737 14.740 ( 5.496 -6.685 1.199) 8.737 14.923 ( -2.747 -1.980 2.269) 4.076 14.923 ( 2.747 -1.980 2.269) 4.076 15.898 ( -2.156 5.248 -15.266) 16.286 15.898 ( 2.156 5.248 -15.266) 16.286 16.124 ( -8.597 0.109 -6.547) 10.807 16.124 ( 8.597 0.109 -6.547) 10.807 16.443 ( -2.181 4.445 -4.408) 6.629 16.443 ( 2.181 4.445 -4.408) 6.629 16.726 ( -3.972 -5.066 -0.972) 6.511 16.726 ( 3.972 -5.066 -0.972) 6.511 17.502 ( -10.386 -13.208 -7.018) 18.210 17.502 ( 10.386 -13.208 -7.018) 18.210 18.606 ( -0.877 8.744 1.020) 8.847 18.606 ( 0.877 8.744 1.020) 8.847 21.948 ( -2.970 0.629 3.632) 4.734 21.948 ( 2.970 0.629 3.632) 4.734 22.553 ( -7.668 1.697 5.447) 9.557 22.553 ( 7.668 1.697 5.447) 9.557 24.114 ( -15.721 -0.231 -15.376) 21.992 24.114 ( 15.721 -0.231 -15.376) 21.992 26.135 ( -0.551 -1.405 -3.908) 4.189 26.135 ( 0.551 -1.405 -3.908) 4.189 ======================= Grid point 192 (43/90) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( 15.858 15.858 19.950) 30.016 3.962 ( 18.897 18.897 16.423) 31.367 3.972 ( -5.458 -5.458 9.174) 11.990 4.614 ( -10.438 -10.438 15.007) 21.050 5.217 ( 12.448 12.448 0.752) 17.620 5.382 ( 2.803 2.803 -4.117) 5.715 6.295 ( -11.816 -11.816 8.231) 18.628 6.374 ( -15.558 -15.558 8.091) 23.443 7.305 ( -2.925 -2.925 14.135) 14.728 7.555 ( -13.326 -13.326 10.782) 21.712 8.481 ( 13.051 13.051 -1.651) 18.531 8.736 ( 2.672 2.672 9.764) 10.470 8.880 ( 5.776 5.776 21.817) 23.296 9.034 ( -0.619 -0.619 23.703) 23.719 9.094 ( 1.126 1.126 -15.653) 15.734 9.317 ( -7.872 -7.872 -0.030) 11.133 9.530 ( 4.764 4.764 8.714) 11.015 9.676 ( 1.721 1.721 -4.277) 4.921 9.699 ( 2.414 2.414 2.915) 4.489 9.900 ( -8.619 -8.619 6.829) 13.972 10.501 ( 2.253 2.253 -2.297) 3.928 10.583 ( -2.676 -2.676 -11.867) 12.455 10.787 ( -2.813 -2.813 -1.006) 4.103 10.899 ( -4.035 -4.035 9.382) 10.981 11.225 ( 3.131 3.131 -10.032) 10.966 11.337 ( 2.666 2.666 17.247) 17.654 11.371 ( -3.368 -3.368 -13.744) 14.546 11.453 ( -0.167 -0.167 17.342) 17.343 12.216 ( 1.432 1.432 -3.261) 3.839 12.309 ( -0.046 -0.046 9.151) 9.152 12.310 ( 3.877 3.877 -5.843) 8.013 12.350 ( 2.310 2.310 -7.387) 8.077 12.597 ( 4.808 4.808 8.558) 10.930 12.726 ( -0.111 -0.111 5.398) 5.400 12.884 ( 2.748 2.748 3.074) 4.955 13.001 ( -1.845 -1.845 -3.356) 4.251 13.828 ( 9.446 9.446 2.326) 13.560 13.856 ( 5.543 5.543 -3.836) 8.727 14.090 ( 0.242 0.242 -9.989) 9.995 14.152 ( -2.493 -2.493 -1.702) 3.914 14.160 ( 3.527 3.527 -1.868) 5.327 14.373 ( -9.269 -9.269 6.041) 14.433 14.581 ( -2.843 -2.843 1.316) 4.230 14.704 ( -6.570 -6.570 -2.621) 9.655 14.875 ( 0.923 0.923 5.687) 5.835 14.936 ( -1.700 -1.700 5.363) 5.878 15.938 ( 1.671 1.671 -19.447) 19.590 15.968 ( 10.553 10.553 -3.095) 15.242 15.985 ( -0.685 -0.685 -18.382) 18.407 16.269 ( -1.584 -1.584 2.962) 3.713 16.448 ( 3.456 3.456 -5.600) 7.433 16.562 ( 1.140 1.140 -6.933) 7.118 16.607 ( -1.179 -1.179 -1.125) 2.011 16.684 ( -2.319 -2.319 -2.325) 4.020 17.228 ( -4.486 -4.486 -9.657) 11.555 17.505 ( -13.710 -13.710 -9.671) 21.668 18.688 ( 4.595 4.595 0.900) 6.560 18.698 ( 3.944 3.944 0.875) 5.646 21.926 ( 1.719 1.719 6.160) 6.622 21.987 ( -1.264 -1.264 6.346) 6.593 22.491 ( 4.644 4.644 2.937) 7.195 22.655 ( -3.162 -3.162 7.991) 9.157 23.950 ( 8.261 8.261 -18.866) 22.190 24.266 ( -7.880 -7.880 -13.140) 17.229 26.114 ( -0.379 -0.379 -5.516) 5.542 26.124 ( -0.780 -0.780 -4.850) 4.974 ======================= Grid point 193 (44/90) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( -11.635 6.678 14.884) 20.038 3.812 ( 11.635 6.678 14.884) 20.038 4.325 ( -18.513 5.918 14.858) 24.465 4.325 ( 18.513 5.918 14.858) 24.465 5.381 ( -4.216 4.673 -3.635) 7.268 5.381 ( 4.216 4.673 -3.635) 7.268 6.198 ( -2.197 -15.869 9.738) 18.748 6.198 ( 2.197 -15.869 9.738) 18.748 7.350 ( -7.348 -8.493 13.923) 17.888 7.350 ( 7.348 -8.493 13.923) 17.888 8.694 ( -8.095 6.684 6.681) 12.443 8.694 ( 8.095 6.684 6.681) 12.443 8.961 ( -3.563 6.477 19.670) 21.013 8.961 ( 3.563 6.477 19.670) 21.013 9.171 ( -5.544 -3.709 -4.364) 7.971 9.171 ( 5.544 -3.709 -4.364) 7.971 9.667 ( -5.374 -1.036 2.242) 5.914 9.667 ( 5.374 -1.036 2.242) 5.914 9.749 ( -5.028 -1.538 1.761) 5.545 9.749 ( 5.028 -1.538 1.761) 5.545 10.530 ( -2.031 -0.089 -10.223) 10.423 10.530 ( 2.031 -0.089 -10.223) 10.423 10.816 ( -4.289 -3.519 4.917) 7.413 10.816 ( 4.289 -3.519 4.917) 7.413 11.286 ( -3.986 2.970 -9.428) 10.659 11.286 ( 3.986 2.970 -9.428) 10.659 11.421 ( -3.757 0.499 15.698) 16.149 11.421 ( 3.757 0.499 15.698) 16.149 12.257 ( -2.941 1.997 1.488) 3.853 12.257 ( 2.941 1.997 1.488) 3.853 12.366 ( -1.274 1.588 -6.467) 6.780 12.366 ( 1.274 1.588 -6.467) 6.780 12.695 ( -3.797 3.479 9.532) 10.835 12.695 ( 3.797 3.479 9.532) 10.835 12.944 ( -3.472 -1.241 0.524) 3.724 12.944 ( 3.472 -1.241 0.524) 3.724 13.938 ( -1.858 1.453 -5.647) 6.120 13.938 ( 1.858 1.453 -5.647) 6.120 14.073 ( -1.976 10.922 -0.422) 11.107 14.073 ( 1.976 10.922 -0.422) 11.107 14.257 ( -3.130 -4.298 0.275) 5.324 14.257 ( 3.130 -4.298 0.275) 5.324 14.589 ( -4.402 -9.065 0.137) 10.078 14.589 ( 4.402 -9.065 0.137) 10.078 14.902 ( -1.755 -0.356 6.514) 6.755 14.902 ( 1.755 -0.356 6.514) 6.755 15.961 ( -1.070 0.858 -18.211) 18.263 15.961 ( 1.070 0.858 -18.211) 18.263 16.168 ( -8.783 4.407 0.061) 9.827 16.168 ( 8.783 4.407 0.061) 9.827 16.514 ( -3.382 3.060 -5.385) 7.057 16.514 ( 3.382 3.060 -5.385) 7.057 16.643 ( -2.367 -3.572 -3.039) 5.253 16.643 ( 2.367 -3.572 -3.039) 5.253 17.277 ( -8.898 -9.763 -11.238) 17.343 17.277 ( 8.898 -9.763 -11.238) 17.343 18.734 ( -0.237 4.631 0.754) 4.698 18.734 ( 0.237 4.631 0.754) 4.698 21.958 ( -1.669 0.361 7.244) 7.442 21.958 ( 1.669 0.361 7.244) 7.442 22.580 ( -4.532 1.053 5.620) 7.296 22.580 ( 4.532 1.053 5.620) 7.296 24.110 ( -8.465 -0.217 -15.907) 18.021 24.110 ( 8.465 -0.217 -15.907) 18.021 26.114 ( -0.310 -0.792 -5.936) 5.997 26.114 ( 0.310 -0.792 -5.936) 5.997 ======================= Grid point 206 (45/90) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.885 ( 0.000 0.000 15.619) 15.619 3.885 ( 0.000 0.000 15.619) 15.619 4.382 ( 0.000 0.000 14.291) 14.291 4.382 ( 0.000 0.000 14.291) 14.291 5.430 ( 0.000 0.000 -6.508) 6.508 5.430 ( 0.000 0.000 -6.508) 6.508 6.038 ( 0.000 0.000 11.365) 11.365 6.038 ( 0.000 0.000 11.365) 11.365 7.268 ( 0.000 0.000 15.983) 15.983 7.268 ( 0.000 0.000 15.983) 15.983 8.764 ( 0.000 0.000 14.516) 14.516 8.764 ( 0.000 0.000 14.516) 14.516 9.014 ( 0.000 0.000 24.205) 24.205 9.014 ( 0.000 0.000 24.205) 24.205 9.139 ( 0.000 0.000 -13.986) 13.986 9.139 ( 0.000 0.000 -13.986) 13.986 9.644 ( 0.000 0.000 1.733) 1.733 9.644 ( -0.000 -0.000 1.733) 1.733 9.745 ( 0.000 0.000 -0.893) 0.893 9.745 ( 0.000 0.000 -0.893) 0.893 10.529 ( 0.000 0.000 -15.922) 15.922 10.529 ( 0.000 0.000 -15.922) 15.922 10.782 ( -0.000 -0.000 9.155) 9.155 10.782 ( 0.000 0.000 9.155) 9.155 11.304 ( 0.000 0.000 -14.688) 14.688 11.304 ( 0.000 0.000 -14.688) 14.688 11.441 ( 0.000 0.000 21.353) 21.353 11.441 ( 0.000 0.000 21.353) 21.353 12.267 ( 0.000 0.000 1.024) 1.024 12.267 ( 0.000 0.000 1.024) 1.024 12.384 ( 0.000 0.000 -6.925) 6.925 12.384 ( 0.000 0.000 -6.925) 6.925 12.746 ( 0.000 0.000 11.053) 11.053 12.746 ( 0.000 0.000 11.053) 11.053 12.920 ( 0.000 0.000 1.921) 1.921 12.920 ( 0.000 0.000 1.921) 1.921 13.947 ( -0.000 -0.000 -7.820) 7.820 13.947 ( 0.000 0.000 -7.820) 7.820 14.184 ( -0.000 -0.000 4.537) 4.537 14.184 ( 0.000 0.000 4.537) 4.537 14.258 ( -0.000 -0.000 -4.185) 4.185 14.258 ( 0.000 0.000 -4.185) 4.185 14.456 ( -0.000 -0.000 0.064) 0.064 14.456 ( 0.000 0.000 0.064) 0.064 14.900 ( 0.000 0.000 8.765) 8.765 14.900 ( 0.000 0.000 8.765) 8.765 15.962 ( 0.000 0.000 -17.953) 17.953 15.962 ( 0.000 0.000 -17.953) 17.953 16.225 ( 0.000 0.000 2.015) 2.015 16.225 ( 0.000 0.000 2.015) 2.015 16.553 ( 0.000 0.000 -7.405) 7.405 16.553 ( 0.000 0.000 -7.405) 7.405 16.599 ( 0.000 0.000 -2.036) 2.036 16.599 ( -0.000 -0.000 -2.036) 2.036 17.175 ( 0.000 0.000 -13.921) 13.921 17.175 ( 0.000 0.000 -13.921) 13.921 18.778 ( 0.000 0.000 0.631) 0.631 18.778 ( 0.000 0.000 0.631) 0.631 21.962 ( 0.000 0.000 8.535) 8.535 21.962 ( 0.000 0.000 8.535) 8.535 22.590 ( 0.000 0.000 5.844) 5.844 22.590 ( 0.000 0.000 5.844) 5.844 24.107 ( 0.000 0.000 -16.116) 16.116 24.107 ( 0.000 0.000 -16.116) 16.116 26.106 ( 0.000 0.000 -6.758) 6.758 26.106 ( 0.000 0.000 -6.758) 6.758 ======================= Grid point 243 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 0.000 0.000 40.605) 40.605 2.775 ( 0.000 0.000 40.605) 40.605 3.980 ( -0.000 -0.000 45.446) 45.446 5.004 ( 0.000 -0.000 -7.090) 7.090 5.004 ( 0.000 0.000 -7.090) 7.090 5.300 ( 0.000 0.000 -3.213) 3.213 6.896 ( 0.000 -0.000 -8.086) 8.086 6.896 ( 0.000 0.000 -8.086) 8.086 7.445 ( 0.000 0.000 -20.539) 20.539 7.445 ( 0.000 0.000 -20.539) 20.539 8.366 ( 0.000 0.000 4.605) 4.605 8.641 ( 0.000 0.000 11.574) 11.574 8.641 ( 0.000 0.000 11.574) 11.574 9.290 ( -0.000 0.000 -19.836) 19.836 9.495 ( -0.000 0.000 33.831) 33.831 9.634 ( -0.000 -0.000 -0.713) 0.713 9.634 ( 0.000 -0.000 -0.713) 0.713 9.642 ( 0.000 0.000 12.014) 12.014 9.720 ( -0.000 0.000 29.634) 29.634 10.579 ( -0.000 0.000 45.679) 45.679 11.019 ( -0.000 0.000 0.627) 0.627 11.019 ( 0.000 0.000 0.627) 0.627 11.316 ( -0.000 0.000 8.720) 8.720 11.346 ( 0.000 0.000 3.427) 3.427 11.346 ( 0.000 0.000 3.427) 3.427 11.361 ( 0.000 0.000 2.932) 2.932 11.723 ( -0.000 0.000 -16.992) 16.992 11.901 ( -0.000 -0.000 -19.407) 19.407 12.082 ( 0.000 0.000 5.643) 5.643 12.082 ( 0.000 0.000 5.643) 5.643 12.187 ( 0.000 0.000 -0.530) 0.530 12.187 ( 0.000 -0.000 -0.530) 0.530 12.330 ( 0.000 0.000 16.942) 16.942 12.420 ( -0.000 0.000 -12.349) 12.349 12.492 ( 0.000 0.000 -9.656) 9.656 12.811 ( 0.000 0.000 15.368) 15.368 12.962 ( 0.000 0.000 10.607) 10.607 13.967 ( 0.000 -0.000 1.806) 1.806 13.967 ( -0.000 0.000 1.806) 1.806 14.076 ( -0.000 0.000 8.307) 8.307 14.383 ( 0.000 0.000 -0.512) 0.512 14.383 ( -0.000 -0.000 -0.512) 0.512 14.541 ( 0.000 0.000 -16.813) 16.813 14.578 ( 0.000 0.000 -16.683) 16.683 14.645 ( 0.000 0.000 -8.025) 8.025 14.645 ( 0.000 -0.000 -8.025) 8.025 15.238 ( -0.000 0.000 -28.889) 28.889 15.521 ( 0.000 0.000 -35.839) 35.839 15.573 ( 0.000 0.000 3.026) 3.026 15.963 ( 0.000 0.000 10.226) 10.226 15.963 ( -0.000 0.000 10.226) 10.226 15.977 ( 0.000 0.000 -6.250) 6.250 17.223 ( 0.000 0.000 13.865) 13.865 17.877 ( 0.000 0.000 -2.358) 2.358 17.877 ( -0.000 0.000 -2.358) 2.358 18.076 ( 0.000 0.000 -1.202) 1.202 18.076 ( 0.000 0.000 -1.202) 1.202 18.404 ( -0.000 -0.000 -11.451) 11.451 21.689 ( 0.000 0.000 -3.166) 3.166 21.689 ( 0.000 0.000 -3.166) 3.166 22.084 ( 0.000 0.000 -2.754) 2.754 22.084 ( 0.000 0.000 -2.754) 2.754 23.355 ( -0.000 0.000 19.408) 19.408 25.023 ( -0.000 -0.000 -18.225) 18.225 26.176 ( -0.000 0.000 1.324) 1.324 26.284 ( -0.000 0.000 1.058) 1.058 ======================= Grid point 244 (47/90) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 10.175 0.000 37.166) 38.533 2.911 ( 13.093 0.000 37.550) 39.767 4.135 ( 16.266 0.000 41.312) 44.399 4.909 ( -9.773 0.000 -5.881) 11.406 4.914 ( -8.416 0.000 -5.881) 10.267 5.395 ( 8.542 0.000 -1.427) 8.660 6.953 ( 5.845 0.000 -7.087) 9.186 6.959 ( 6.271 0.000 -7.818) 10.023 7.454 ( 1.189 0.000 -18.120) 18.159 7.482 ( 3.655 0.000 -19.731) 20.067 8.340 ( -3.894 0.000 6.438) 7.524 8.598 ( -3.132 0.000 7.989) 8.581 8.681 ( 3.944 0.000 10.921) 11.611 9.299 ( -15.292 0.000 9.598) 18.055 9.306 ( -0.775 0.000 -17.276) 17.293 9.520 ( -6.391 0.000 3.701) 7.385 9.548 ( 0.645 0.000 31.109) 31.116 9.815 ( 6.229 0.000 21.016) 21.920 9.923 ( 14.981 0.000 5.062) 15.813 10.516 ( -6.221 0.000 42.238) 42.693 10.858 ( -12.496 0.000 5.152) 13.516 11.022 ( 0.005 0.000 2.182) 2.182 11.172 ( -5.829 0.000 3.010) 6.560 11.338 ( -1.207 0.000 2.277) 2.577 11.433 ( 5.497 0.000 1.395) 5.671 11.581 ( -13.486 0.000 -7.825) 15.591 11.591 ( 13.099 0.000 4.301) 13.787 11.791 ( -7.948 0.000 -13.619) 15.768 11.963 ( -11.790 0.000 5.064) 12.831 12.032 ( -4.860 0.000 9.950) 11.074 12.130 ( -2.941 0.000 -0.599) 3.002 12.147 ( -1.072 0.000 -3.377) 3.543 12.489 ( 6.453 0.000 -12.367) 13.949 12.489 ( 9.409 0.000 5.730) 11.016 12.590 ( 9.235 0.000 -6.059) 11.046 12.938 ( 11.166 0.000 15.608) 19.191 12.938 ( -1.705 0.000 9.009) 9.169 13.843 ( -7.751 0.000 2.892) 8.273 13.965 ( -0.514 0.000 2.546) 2.597 14.237 ( 8.868 0.000 -2.826) 9.307 14.242 ( -10.742 0.000 -4.396) 11.606 14.427 ( 4.154 0.000 -0.061) 4.154 14.583 ( 4.393 0.000 -14.716) 15.357 14.618 ( -1.923 0.000 -10.743) 10.914 14.673 ( 5.587 0.000 -9.839) 11.314 14.728 ( 10.488 0.000 -8.896) 13.753 15.295 ( 4.756 0.000 -25.769) 26.204 15.514 ( -5.818 0.000 6.304) 8.578 15.515 ( -0.145 0.000 -33.115) 33.115 16.001 ( 3.828 0.000 -1.600) 4.149 16.025 ( 4.555 0.000 2.403) 5.150 16.036 ( 7.368 0.000 7.434) 10.467 17.116 ( -11.200 0.000 10.161) 15.123 17.685 ( -15.007 0.000 0.975) 15.039 17.866 ( -1.136 0.000 -2.517) 2.762 18.053 ( -2.410 0.000 -1.372) 2.773 18.092 ( 1.813 0.000 -0.386) 1.853 18.475 ( 3.532 0.000 -8.845) 9.524 21.701 ( 1.292 0.000 -3.150) 3.404 21.890 ( 16.725 0.000 -6.062) 17.790 22.067 ( -1.833 0.000 -2.771) 3.323 22.197 ( 13.639 0.000 -4.601) 14.394 23.317 ( -3.874 0.000 18.824) 19.219 24.928 ( -9.930 0.000 -17.056) 19.736 26.161 ( -1.484 0.000 0.826) 1.698 26.258 ( -2.245 0.000 0.978) 2.449 ======================= Grid point 245 (48/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 17.056 0.000 28.699) 33.385 3.218 ( 18.501 0.000 30.622) 35.777 4.548 ( 21.154 0.000 24.760) 32.566 4.651 ( -16.896 0.000 -2.558) 17.089 4.722 ( -7.335 0.000 5.027) 8.892 5.571 ( 8.653 0.000 2.799) 9.095 7.107 ( 9.950 0.000 -4.119) 10.769 7.113 ( 9.416 0.000 -7.954) 12.326 7.512 ( 5.637 0.000 -12.013) 13.269 7.563 ( 4.018 0.000 -17.051) 17.518 8.182 ( -12.310 0.000 9.860) 15.773 8.557 ( -2.660 0.000 0.458) 2.699 8.774 ( 5.240 0.000 9.936) 11.233 9.034 ( -11.718 0.000 9.308) 14.965 9.182 ( -9.021 0.000 -4.403) 10.038 9.479 ( -0.606 0.000 -11.551) 11.567 9.587 ( 3.691 0.000 30.824) 31.044 9.944 ( 7.797 0.000 18.440) 20.021 10.189 ( 12.120 0.000 10.091) 15.771 10.369 ( -8.114 0.000 32.567) 33.563 10.641 ( -9.782 0.000 8.533) 12.981 11.004 ( -2.473 0.000 6.018) 6.506 11.094 ( -2.453 0.000 2.595) 3.571 11.250 ( -11.454 0.000 -4.582) 12.336 11.350 ( -5.569 0.000 6.250) 8.371 11.468 ( -2.679 0.000 0.873) 2.817 11.599 ( -12.570 0.000 -11.062) 16.744 11.714 ( -12.950 0.000 4.287) 13.641 11.788 ( 7.016 0.000 -0.072) 7.017 11.969 ( -0.931 0.000 4.724) 4.815 12.114 ( 1.800 0.000 -0.610) 1.901 12.203 ( 7.834 0.000 0.450) 7.847 12.577 ( -0.782 0.000 9.052) 9.086 12.638 ( 8.393 0.000 -6.994) 10.925 12.764 ( 7.661 0.000 -5.974) 9.715 12.941 ( 2.589 0.000 3.099) 4.038 13.159 ( 10.913 0.000 12.297) 16.441 13.743 ( -1.994 0.000 -1.070) 2.263 13.897 ( -8.882 0.000 4.229) 9.838 14.090 ( -2.115 0.000 -6.014) 6.375 14.227 ( -6.575 0.000 -9.863) 11.854 14.551 ( -5.008 0.000 -9.645) 10.868 14.587 ( 9.159 0.000 -5.540) 10.705 14.728 ( 9.627 0.000 -11.258) 14.813 14.774 ( 5.078 0.000 -6.805) 8.491 14.999 ( 16.217 0.000 -10.271) 19.196 15.370 ( 2.650 0.000 -21.825) 21.985 15.372 ( -8.743 0.000 9.975) 13.264 15.545 ( 4.008 0.000 -26.940) 27.236 16.094 ( 5.573 0.000 -5.386) 7.750 16.128 ( 5.743 0.000 2.128) 6.125 16.211 ( 9.446 0.000 3.735) 10.158 16.844 ( -14.915 0.000 3.628) 15.350 17.419 ( -12.889 0.000 5.577) 14.044 17.840 ( -1.368 0.000 -2.863) 3.173 17.990 ( -4.029 0.000 -1.840) 4.429 18.140 ( 3.115 0.000 0.497) 3.154 18.482 ( -2.557 0.000 -4.533) 5.205 21.737 ( 2.512 0.000 -3.105) 3.994 22.017 ( -3.280 0.000 -2.820) 4.326 22.163 ( 12.603 0.000 -1.022) 12.645 22.611 ( 25.120 0.000 -12.368) 27.999 23.227 ( -4.035 0.000 15.376) 15.897 24.659 ( -17.915 0.000 -14.750) 23.206 26.130 ( -1.347 0.000 -0.438) 1.416 26.217 ( -1.966 0.000 0.147) 1.971 ======================= Grid point 246 (49/90) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 20.316 0.000 18.668) 27.591 3.595 ( 21.059 0.000 21.587) 30.157 4.292 ( -20.479 0.000 2.557) 20.637 4.378 ( -18.270 0.000 3.250) 18.557 5.117 ( 26.320 0.000 23.341) 35.179 5.664 ( -0.318 0.000 8.412) 8.418 7.301 ( 10.206 0.000 -9.094) 13.669 7.314 ( 11.815 0.000 0.639) 11.832 7.592 ( -1.978 0.000 -13.551) 13.695 7.669 ( 8.092 0.000 -1.719) 8.273 7.935 ( -9.881 0.000 4.160) 10.720 8.401 ( -14.515 0.000 -1.437) 14.586 8.848 ( 1.648 0.000 10.418) 10.547 8.893 ( -2.583 0.000 10.705) 11.012 9.116 ( 3.231 0.000 -6.913) 7.631 9.413 ( -6.668 0.000 -12.814) 14.445 9.701 ( 8.689 0.000 27.728) 29.058 10.114 ( 9.942 0.000 15.132) 18.106 10.143 ( -11.382 0.000 31.896) 33.866 10.448 ( 10.831 0.000 7.245) 13.031 10.477 ( -8.287 0.000 11.047) 13.809 10.869 ( -12.035 0.000 10.377) 15.891 11.086 ( -2.100 0.000 3.901) 4.430 11.093 ( 2.893 0.000 2.889) 4.089 11.312 ( -0.961 0.000 2.906) 3.061 11.342 ( -11.797 0.000 -6.626) 13.531 11.356 ( -8.000 0.000 2.024) 8.252 11.508 ( -8.956 0.000 -5.627) 10.577 11.878 ( 3.426 0.000 -3.321) 4.771 11.961 ( -0.776 0.000 -1.414) 1.613 12.192 ( 6.078 0.000 4.593) 7.619 12.428 ( 14.184 0.000 2.966) 14.491 12.484 ( -7.527 0.000 11.790) 13.988 12.752 ( 1.933 0.000 0.033) 1.934 12.887 ( 5.556 0.000 -6.141) 8.282 12.988 ( 1.051 0.000 -0.632) 1.226 13.331 ( 7.657 0.000 4.567) 8.916 13.682 ( -11.757 0.000 2.318) 11.983 13.775 ( 4.975 0.000 -5.300) 7.269 14.075 ( -8.826 0.000 -9.938) 13.292 14.140 ( 5.832 0.000 -3.246) 6.675 14.432 ( -7.443 0.000 -7.732) 10.732 14.739 ( 7.115 0.000 -9.978) 12.255 14.860 ( 3.093 0.000 -9.867) 10.340 14.879 ( 6.364 0.000 -1.027) 6.447 15.195 ( -9.617 0.000 9.832) 13.753 15.263 ( 10.093 0.000 -18.706) 21.255 15.405 ( 0.961 0.000 -19.508) 19.532 15.689 ( 11.839 0.000 -15.034) 19.136 16.194 ( 4.480 0.000 -4.589) 6.413 16.221 ( 3.534 0.000 -0.893) 3.645 16.247 ( -9.342 0.000 -0.056) 9.342 16.719 ( 5.392 0.000 1.768) 5.674 17.179 ( -12.906 0.000 5.450) 14.010 17.824 ( -0.024 0.000 -3.093) 3.093 17.910 ( -4.113 0.000 -2.459) 4.792 18.208 ( 4.146 0.000 0.934) 4.249 18.401 ( -5.355 0.000 -1.253) 5.500 21.795 ( 3.523 0.000 -3.041) 4.654 21.947 ( -4.067 0.000 -2.889) 4.989 22.406 ( 13.231 0.000 3.988) 13.819 22.844 ( -4.268 0.000 4.851) 6.461 23.363 ( 21.254 0.000 -7.674) 22.597 24.273 ( -22.448 0.000 -13.627) 26.260 26.122 ( 0.510 0.000 -1.584) 1.664 26.181 ( -1.951 0.000 -1.022) 2.203 ======================= Grid point 247 (50/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.893 ( -21.308 0.000 9.613) 23.376 3.893 ( 21.308 0.000 9.613) 23.376 3.999 ( -21.188 0.000 12.019) 24.360 3.999 ( 21.188 0.000 12.019) 24.360 5.521 ( -15.025 0.000 15.072) 21.282 5.521 ( 15.025 0.000 15.072) 21.282 7.485 ( -8.574 0.000 -10.809) 13.797 7.485 ( 8.574 0.000 -10.809) 13.797 7.556 ( -13.406 0.000 6.274) 14.801 7.556 ( 13.406 0.000 6.274) 14.801 8.075 ( -17.507 0.000 -3.852) 17.925 8.075 ( 17.507 0.000 -3.852) 17.925 8.870 ( -1.500 0.000 11.317) 11.416 8.870 ( 1.500 0.000 11.317) 11.416 9.251 ( -9.263 0.000 -10.602) 14.078 9.251 ( 9.263 0.000 -10.602) 14.078 9.909 ( -12.553 0.000 26.845) 29.635 9.909 ( 12.553 0.000 26.845) 29.635 10.306 ( -9.884 0.000 12.945) 16.287 10.306 ( 9.884 0.000 12.945) 16.287 10.646 ( -10.653 0.000 11.239) 15.486 10.646 ( 10.653 0.000 11.239) 15.486 11.139 ( -7.092 0.000 4.680) 8.497 11.139 ( 7.092 0.000 4.680) 8.497 11.200 ( -7.730 0.000 2.557) 8.142 11.200 ( 7.730 0.000 2.557) 8.142 11.372 ( -5.264 0.000 -8.031) 9.603 11.372 ( 5.264 0.000 -8.031) 9.603 11.932 ( -2.284 0.000 -3.572) 4.240 11.932 ( 2.284 0.000 -3.572) 4.240 12.330 ( -8.145 0.000 9.297) 12.361 12.330 ( 8.145 0.000 9.297) 12.361 12.672 ( -9.978 0.000 2.895) 10.389 12.672 ( 9.978 0.000 2.895) 10.389 12.969 ( -2.892 0.000 -3.569) 4.594 12.969 ( 2.892 0.000 -3.569) 4.594 13.483 ( -9.117 0.000 1.255) 9.203 13.483 ( 9.117 0.000 1.255) 9.203 13.908 ( -8.413 0.000 -8.253) 11.786 13.908 ( 8.413 0.000 -8.253) 11.786 14.280 ( -8.245 0.000 -4.409) 9.350 14.280 ( 8.245 0.000 -4.409) 9.350 14.847 ( -3.800 0.000 -10.818) 11.466 14.847 ( 3.800 0.000 -10.818) 11.466 15.020 ( -8.571 0.000 5.494) 10.181 15.020 ( 8.571 0.000 5.494) 10.181 15.384 ( -3.433 0.000 -20.892) 21.172 15.384 ( 3.433 0.000 -20.892) 21.172 15.972 ( -16.511 0.000 -5.379) 17.365 15.972 ( 16.511 0.000 -5.379) 17.365 16.247 ( -0.832 0.000 -3.072) 3.182 16.247 ( 0.832 0.000 -3.072) 3.182 16.927 ( -13.359 0.000 3.528) 13.817 16.927 ( 13.359 0.000 3.528) 13.817 17.846 ( -2.400 0.000 -2.958) 3.809 17.846 ( 2.400 0.000 -2.958) 3.809 18.297 ( -5.256 0.000 0.503) 5.280 18.297 ( 5.256 0.000 0.503) 5.280 21.868 ( -4.113 0.000 -2.966) 5.071 21.868 ( 4.113 0.000 -2.966) 5.071 22.655 ( -12.661 0.000 7.658) 14.796 22.655 ( 12.661 0.000 7.658) 14.796 23.823 ( -24.755 0.000 -13.548) 28.220 23.823 ( 24.755 0.000 -13.548) 28.220 26.145 ( -1.729 0.000 -1.761) 2.468 26.145 ( 1.729 0.000 -1.761) 2.468 ======================= Grid point 253 (51/90) ======================= q-point: ( 0.12 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 9.899 9.899 37.282) 39.823 3.029 ( 11.863 11.863 32.473) 36.551 4.273 ( 14.276 14.276 37.175) 42.304 4.715 ( -10.862 -10.862 -4.666) 16.054 5.062 ( 2.815 2.815 -5.796) 7.031 5.367 ( 0.055 0.055 0.726) 0.730 6.880 ( -1.135 -1.135 -5.417) 5.650 7.127 ( 10.501 10.501 -7.404) 16.594 7.407 ( -2.574 -2.574 -16.166) 16.570 7.541 ( 4.553 4.553 -17.285) 18.446 8.301 ( -4.795 -4.795 7.368) 10.014 8.655 ( 2.072 2.072 7.905) 8.431 8.656 ( 1.718 1.718 6.092) 6.558 9.127 ( -12.483 -12.483 8.971) 19.803 9.327 ( 0.740 0.740 -18.029) 18.059 9.550 ( 0.712 0.712 32.315) 32.331 9.606 ( -1.028 -1.028 -3.012) 3.344 9.731 ( 1.342 1.342 24.509) 24.583 10.056 ( 9.378 9.378 7.894) 15.434 10.455 ( -5.862 -5.862 38.577) 39.457 10.773 ( -8.343 -8.343 7.908) 14.204 11.009 ( -0.713 -0.713 5.357) 5.451 11.181 ( -5.580 -5.580 -4.070) 8.879 11.237 ( 2.403 2.403 4.096) 5.322 11.437 ( -13.585 -13.585 -2.449) 19.367 11.503 ( -1.435 -1.435 -2.368) 3.119 11.676 ( 6.787 6.787 4.359) 10.542 11.786 ( 0.883 0.883 -14.340) 14.394 11.866 ( -3.822 -3.822 14.370) 15.353 12.007 ( -7.410 -7.410 8.418) 13.441 12.048 ( -2.304 -2.304 -5.852) 6.698 12.274 ( 4.607 4.607 -5.729) 8.676 12.512 ( 3.879 3.879 10.402) 11.759 12.540 ( 5.478 5.478 -9.757) 12.459 12.621 ( 4.631 4.631 -7.337) 9.835 12.914 ( -2.120 -2.120 7.882) 8.433 13.067 ( 11.201 11.201 14.151) 21.241 13.758 ( -5.938 -5.938 1.704) 8.569 13.988 ( 1.029 1.029 1.780) 2.299 14.249 ( -6.240 -6.240 -5.948) 10.642 14.277 ( -0.772 -0.772 -8.604) 8.673 14.395 ( 7.239 7.239 1.382) 10.330 14.566 ( 0.180 0.180 -13.008) 13.010 14.711 ( 5.192 5.192 -10.662) 12.946 14.742 ( 4.802 4.802 -10.243) 12.290 14.757 ( 6.177 6.177 -5.516) 10.332 15.322 ( 2.421 2.421 -24.604) 24.841 15.480 ( -3.424 -3.424 8.056) 9.400 15.508 ( -0.232 -0.232 -31.185) 31.186 16.026 ( 3.021 3.021 -4.300) 6.061 16.083 ( 5.101 5.101 5.503) 9.074 16.085 ( 5.262 5.262 2.723) 7.924 17.061 ( -6.633 -6.633 8.995) 12.996 17.448 ( -16.439 -16.439 0.754) 23.261 17.813 ( -5.800 -5.800 -1.262) 8.299 18.069 ( -0.696 -0.696 -2.963) 3.122 18.192 ( 6.694 6.694 0.309) 9.471 18.477 ( 0.460 0.460 -6.683) 6.715 21.748 ( 3.005 3.005 -1.249) 4.430 21.980 ( 8.568 8.568 -6.577) 13.787 22.085 ( 0.129 0.129 -1.221) 1.234 22.313 ( 14.842 14.842 -9.967) 23.237 23.279 ( -3.865 -3.865 18.352) 19.149 24.842 ( -9.013 -9.013 -16.156) 20.578 26.148 ( -1.406 -1.406 0.328) 2.015 26.230 ( -2.426 -2.426 0.700) 3.502 ======================= Grid point 254 (52/90) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 16.250 8.883 31.140) 36.231 3.322 ( 18.279 10.691 25.720) 33.316 4.487 ( -12.614 -7.685 -0.816) 14.793 4.644 ( 21.671 8.022 25.816) 34.647 4.933 ( -12.962 14.209 -0.205) 19.234 5.478 ( 8.699 -9.599 3.157) 13.333 6.908 ( 3.813 -8.975 -2.524) 10.073 7.256 ( 0.273 -5.059 -5.227) 7.279 7.453 ( 9.754 8.362 -11.275) 17.094 7.649 ( 6.775 3.191 -11.903) 14.063 8.147 ( -10.851 -3.991 7.778) 13.934 8.622 ( -3.104 6.537 -0.698) 7.270 8.782 ( 6.872 1.158 5.655) 8.975 8.907 ( -9.336 -8.669 9.038) 15.620 9.298 ( -3.718 7.139 -7.602) 11.071 9.501 ( -5.095 2.439 -7.869) 9.686 9.579 ( 2.706 -0.610 30.575) 30.701 9.873 ( 9.362 -6.503 19.442) 22.537 10.227 ( 5.359 2.252 17.317) 18.267 10.331 ( -3.898 -2.641 21.211) 21.728 10.599 ( -8.984 -4.528 10.868) 14.810 10.975 ( -4.356 -1.799 8.464) 9.687 11.093 ( -2.556 -3.689 -3.315) 5.580 11.149 ( -13.055 -10.871 1.225) 17.032 11.286 ( -1.258 1.072 0.490) 1.724 11.440 ( -2.945 -4.856 -6.053) 8.301 11.619 ( -11.875 -2.476 9.224) 15.239 11.716 ( -9.094 4.987 -1.804) 10.527 11.853 ( 2.753 3.890 1.898) 5.130 12.003 ( 2.302 2.353 -0.388) 3.315 12.054 ( 7.310 -2.315 -0.153) 7.669 12.332 ( 4.079 8.885 -1.775) 9.937 12.557 ( -0.892 -0.107 12.208) 12.241 12.677 ( 7.653 3.388 -8.061) 11.620 12.755 ( 7.185 0.445 -3.148) 7.857 12.899 ( 1.765 -3.735 3.406) 5.355 13.285 ( 10.467 11.182 10.663) 18.662 13.683 ( -1.212 -3.852 -1.207) 4.215 13.964 ( -6.685 4.493 2.493) 8.432 14.080 ( -4.720 -1.497 -8.548) 9.878 14.234 ( -3.987 -0.928 -8.541) 9.472 14.561 ( 0.959 0.793 -10.902) 10.973 14.571 ( 5.134 0.670 -1.949) 5.532 14.756 ( 3.067 3.594 -10.879) 11.860 14.850 ( 5.307 5.050 -4.193) 8.441 14.977 ( 13.160 -1.703 -7.049) 15.025 15.362 ( 0.866 -0.461 -21.474) 21.497 15.392 ( -4.140 2.739 3.874) 6.296 15.543 ( 4.476 -0.447 -23.750) 24.172 16.112 ( 5.628 1.951 -5.928) 8.404 16.176 ( 5.002 4.646 1.490) 6.988 16.231 ( 8.044 2.211 2.090) 8.600 16.841 ( -14.550 -0.353 3.385) 14.943 17.217 ( -8.248 -17.509 4.673) 19.910 17.693 ( -5.960 -11.454 -1.969) 13.061 17.989 ( -7.380 -2.501 -4.781) 9.142 18.296 ( 4.631 11.146 0.718) 12.091 18.487 ( 0.106 1.282 -2.601) 2.902 21.798 ( 2.622 5.437 -0.579) 6.063 22.050 ( -2.485 3.212 -1.221) 4.241 22.179 ( 11.213 1.590 -1.343) 11.404 22.711 ( 22.597 10.760 -15.534) 29.457 23.189 ( -3.905 -3.987 15.115) 16.113 24.596 ( -16.495 -6.630 -14.436) 22.901 26.115 ( -1.609 -1.513 -0.944) 2.402 26.186 ( -2.088 -2.919 -0.382) 3.609 ======================= Grid point 255 (53/90) ======================= q-point: ( 0.38 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 18.075 6.503 22.512) 29.594 3.705 ( 21.940 10.930 17.222) 29.957 4.216 ( -15.671 -3.116 5.048) 16.756 4.558 ( -20.553 13.552 2.030) 24.703 5.134 ( 22.804 1.827 20.004) 30.389 5.589 ( 1.218 -7.668 7.167) 10.566 7.008 ( 6.258 -16.128 0.224) 17.301 7.220 ( -3.122 -18.848 -0.490) 19.111 7.636 ( 6.657 9.267 -6.494) 13.129 7.831 ( 14.053 6.315 -6.313) 16.650 7.932 ( -10.940 0.143 3.218) 11.404 8.465 ( -13.747 7.286 -3.805) 16.017 8.818 ( 0.352 -3.562 8.736) 9.441 8.887 ( 3.337 3.688 5.358) 7.310 9.255 ( 0.182 10.963 -1.226) 11.033 9.410 ( -5.291 -0.953 -12.668) 13.762 9.676 ( 8.231 -2.282 25.847) 27.222 10.056 ( 9.487 -5.752 18.991) 21.995 10.107 ( -10.244 -3.743 28.498) 30.514 10.433 ( -7.071 -4.033 13.222) 15.526 10.453 ( 7.097 -0.503 2.236) 7.457 10.795 ( -11.832 -7.253 8.291) 16.166 11.014 ( -1.119 -5.016 -2.227) 5.601 11.095 ( 0.620 -2.548 5.204) 5.827 11.206 ( -5.049 -5.091 -4.103) 8.261 11.370 ( -11.936 0.063 9.882) 15.496 11.418 ( -0.197 3.177 -3.908) 5.040 11.546 ( -7.554 6.162 0.375) 9.756 11.935 ( 4.528 5.161 -1.872) 7.117 12.021 ( 0.172 4.841 -3.135) 5.770 12.197 ( 6.292 0.476 3.095) 7.028 12.446 ( -1.407 -0.463 6.628) 6.791 12.511 ( 5.954 5.357 7.236) 10.794 12.784 ( 1.748 2.361 -1.284) 3.206 12.861 ( 4.740 -1.855 -2.591) 5.711 12.952 ( 2.050 -2.324 -0.166) 3.103 13.441 ( 6.458 10.107 3.111) 12.391 13.690 ( -2.353 0.977 -2.189) 3.359 13.805 ( -2.912 2.694 -3.318) 5.172 14.030 ( -5.094 -2.374 -7.812) 9.624 14.203 ( 2.998 3.343 -3.521) 5.706 14.468 ( -7.149 3.224 -7.179) 10.632 14.713 ( 6.974 -2.364 -4.862) 8.824 14.814 ( 2.438 -2.525 -7.884) 8.630 14.933 ( 3.236 3.017 -2.416) 5.041 15.106 ( -1.956 -5.976 5.551) 8.387 15.339 ( 2.439 5.007 -18.498) 19.318 15.411 ( 1.552 1.390 -19.098) 19.212 15.698 ( 12.331 0.976 -12.639) 17.685 16.210 ( 1.801 1.551 -3.845) 4.520 16.241 ( -0.809 2.134 -1.032) 2.505 16.283 ( -2.016 3.447 -2.080) 4.503 16.694 ( 3.446 -2.370 1.077) 4.319 17.066 ( -8.933 -10.778 5.201) 14.934 17.621 ( -0.927 -16.083 -3.181) 16.421 17.822 ( -9.354 -8.806 -4.752) 13.698 18.373 ( 3.573 11.995 0.647) 12.533 18.473 ( -1.528 6.503 -0.371) 6.690 21.853 ( 3.240 5.621 -0.649) 6.521 21.990 ( -3.610 4.258 -0.907) 5.656 22.411 ( 13.064 0.677 3.370) 13.509 22.867 ( -7.138 2.188 6.032) 9.598 23.361 ( 22.331 0.091 -10.583) 24.712 24.237 ( -21.067 -3.805 -13.808) 25.475 26.100 ( 0.109 -2.166 -2.159) 3.060 26.149 ( -1.867 -3.086 -1.666) 3.973 ======================= Grid point 256 (54/90) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.896 ( -17.204 2.273 13.498) 21.985 3.896 ( 17.204 2.273 13.498) 21.985 4.140 ( -22.701 12.180 8.673) 27.182 4.140 ( 22.701 12.180 8.673) 27.182 5.483 ( -12.653 -3.788 12.767) 18.369 5.483 ( 12.653 -3.788 12.767) 18.369 7.130 ( -6.190 -21.396 1.912) 22.355 7.130 ( 6.190 -21.396 1.912) 22.355 7.753 ( -7.559 3.910 -1.069) 8.577 7.753 ( 7.559 3.910 -1.069) 8.577 8.150 ( -18.085 9.179 -5.134) 20.921 8.150 ( 18.085 9.179 -5.134) 20.921 8.878 ( -3.828 2.054 7.428) 8.605 8.878 ( 3.828 2.054 7.428) 8.605 9.306 ( -4.883 4.312 -6.646) 9.306 9.306 ( 4.883 4.312 -6.646) 9.306 9.881 ( -12.316 -2.856 23.267) 26.479 9.881 ( 12.316 -2.856 23.267) 26.479 10.252 ( -10.288 -5.337 17.195) 20.737 10.252 ( 10.288 -5.337 17.195) 20.737 10.608 ( -8.222 -4.440 4.569) 10.401 10.608 ( 8.222 -4.440 4.569) 10.401 11.048 ( -4.116 -4.877 -0.217) 6.385 11.048 ( 4.116 -4.877 -0.217) 6.385 11.208 ( -5.139 -2.658 5.338) 7.872 11.208 ( 5.139 -2.658 5.338) 7.872 11.443 ( -3.230 7.823 -1.472) 8.590 11.443 ( 3.230 7.823 -1.472) 8.590 12.002 ( -2.281 6.210 -3.422) 7.448 12.002 ( 2.281 6.210 -3.422) 7.448 12.321 ( -7.200 -0.763 8.348) 11.050 12.321 ( 7.200 -0.763 8.348) 11.050 12.707 ( -8.996 2.842 1.779) 9.601 12.707 ( 8.996 2.842 1.779) 9.601 12.942 ( -3.052 -1.588 -1.476) 3.744 12.942 ( 3.052 -1.588 -1.476) 3.744 13.563 ( -7.087 7.499 -1.276) 10.397 13.563 ( 7.087 7.499 -1.276) 10.397 13.896 ( -7.714 -0.878 -6.982) 10.441 13.896 ( 7.714 -0.878 -6.982) 10.441 14.319 ( -7.880 3.090 -3.246) 9.065 14.319 ( 7.880 3.090 -3.246) 9.065 14.815 ( -3.048 -3.198 -7.160) 8.413 14.815 ( 3.048 -3.198 -7.160) 8.413 15.007 ( -5.521 -1.130 4.391) 7.145 15.007 ( 5.521 -1.130 4.391) 7.145 15.403 ( -2.500 2.094 -22.187) 22.425 15.403 ( 2.500 2.094 -22.187) 22.425 15.981 ( -16.133 1.234 -4.899) 16.905 15.981 ( 16.133 1.234 -4.899) 16.905 16.282 ( -1.312 3.201 -3.575) 4.975 16.282 ( 1.312 3.201 -3.575) 4.975 16.869 ( -11.365 -5.846 2.971) 13.122 16.869 ( 11.365 -5.846 2.971) 13.122 17.670 ( -5.903 -14.875 -3.973) 16.489 17.670 ( 5.903 -14.875 -3.973) 16.489 18.432 ( -2.665 10.487 0.419) 10.829 18.432 ( 2.665 10.487 0.419) 10.829 21.920 ( -3.712 5.076 -0.776) 6.337 21.920 ( 3.712 5.076 -0.776) 6.337 22.660 ( -12.820 0.531 7.263) 14.744 22.660 ( 12.820 0.531 7.263) 14.744 23.812 ( -23.615 -1.212 -14.277) 27.622 23.812 ( 23.615 -1.212 -14.277) 27.622 26.116 ( -1.444 -2.804 -2.411) 3.969 26.116 ( 1.444 -2.804 -2.411) 3.969 ======================= Grid point 263 (55/90) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 14.457 14.457 29.586) 35.963 3.594 ( 17.337 17.337 19.942) 31.605 4.346 ( -7.478 -7.478 2.625) 10.897 4.867 ( 14.261 14.261 17.452) 26.671 5.190 ( 3.603 3.603 -3.547) 6.208 5.238 ( -6.709 -6.709 8.151) 12.508 6.777 ( -4.934 -4.934 2.423) 7.387 7.056 ( -11.722 -11.722 -0.208) 16.579 7.663 ( -0.683 -0.683 -0.753) 1.225 7.731 ( 16.480 16.480 -8.996) 24.982 8.038 ( -7.076 -7.076 2.824) 10.398 8.728 ( 0.836 0.836 -9.992) 10.061 8.777 ( -3.682 -3.682 9.018) 10.414 8.855 ( 8.270 8.270 6.497) 13.379 9.381 ( 1.456 1.456 -17.008) 17.132 9.540 ( -1.440 -1.440 0.055) 2.037 9.570 ( 0.109 0.109 29.037) 29.038 9.786 ( 1.233 1.233 21.544) 21.614 10.169 ( -7.134 -7.134 29.810) 31.471 10.362 ( 4.368 4.368 -0.242) 6.182 10.479 ( -7.473 -7.473 13.822) 17.399 10.866 ( -15.237 -15.237 2.606) 21.705 10.964 ( -1.118 -1.118 12.743) 12.841 11.016 ( -2.530 -2.530 -9.500) 10.152 11.290 ( -6.963 -6.963 -13.173) 16.446 11.375 ( 1.047 1.047 6.780) 6.940 11.547 ( -4.571 -4.571 14.478) 15.856 11.775 ( -0.231 -0.231 15.703) 15.706 11.889 ( 2.751 2.751 -15.581) 16.060 12.050 ( 2.641 2.641 -5.122) 6.339 12.111 ( 6.661 6.661 3.629) 10.095 12.460 ( 5.378 5.378 -3.833) 8.517 12.572 ( -1.159 -1.159 14.883) 14.973 12.754 ( 4.481 4.481 -10.448) 12.220 12.825 ( 6.309 6.309 1.828) 9.108 12.841 ( -0.483 -0.483 5.707) 5.748 13.513 ( 11.404 11.404 8.265) 18.122 13.642 ( 0.226 0.226 -3.290) 3.306 13.990 ( -5.440 -5.440 -8.250) 11.281 14.048 ( 0.934 0.934 -2.452) 2.785 14.179 ( -2.768 -2.768 -6.707) 7.765 14.601 ( 1.423 1.423 -12.369) 12.532 14.606 ( 3.011 3.011 0.624) 4.304 14.773 ( -4.132 -4.132 -2.169) 6.233 14.915 ( 3.837 3.837 -2.924) 6.164 15.008 ( 3.952 3.952 0.382) 5.602 15.365 ( 1.081 1.081 -25.543) 25.589 15.498 ( 6.835 6.835 3.163) 10.170 15.528 ( 0.867 0.867 -25.214) 25.244 16.171 ( 4.304 4.304 -7.063) 9.324 16.266 ( 3.743 3.743 1.508) 5.503 16.303 ( 5.309 5.309 -1.750) 7.709 16.819 ( -5.684 -5.684 2.679) 8.473 16.883 ( -12.218 -12.218 2.344) 17.438 17.469 ( -11.433 -11.433 -1.950) 16.287 17.853 ( -11.391 -11.391 -7.395) 17.726 18.474 ( 7.242 7.242 0.805) 10.273 18.541 ( 3.918 3.918 -0.544) 5.567 21.901 ( 4.790 4.790 3.482) 7.617 22.103 ( 0.888 0.888 3.316) 3.546 22.250 ( 7.291 7.291 -2.550) 10.621 23.000 ( 17.572 17.572 -20.795) 32.404 23.081 ( -6.246 -6.246 15.197) 17.578 24.412 ( -12.630 -12.630 -13.999) 22.694 26.078 ( -2.138 -2.138 -2.234) 3.759 26.127 ( -2.889 -2.889 -1.833) 4.478 ======================= Grid point 264 (56/90) ======================= q-point: ( 0.38 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.738 ( 14.583 12.035 23.474) 30.142 3.965 ( 21.689 15.376 14.373) 30.223 4.191 ( -9.149 0.100 8.142) 12.248 4.827 ( -20.911 13.207 4.323) 25.107 5.183 ( 14.069 2.889 11.324) 18.290 5.397 ( 5.646 -11.136 2.653) 12.764 6.719 ( -1.202 -13.936 6.536) 15.439 6.858 ( -8.726 -18.064 5.367) 20.767 7.646 ( 0.567 -4.551 7.039) 8.401 7.879 ( -9.098 -4.922 2.594) 10.665 8.062 ( 17.494 15.490 -8.003) 24.698 8.638 ( -9.735 8.881 -11.180) 17.281 8.801 ( 5.995 1.931 4.076) 7.502 9.013 ( 4.891 9.512 5.680) 12.111 9.353 ( -3.213 -5.366 -12.825) 14.268 9.453 ( -4.182 8.894 6.010) 11.520 9.635 ( 6.731 -1.659 20.609) 21.743 9.913 ( 9.223 -8.593 18.551) 22.428 10.008 ( -9.348 -6.558 21.761) 24.576 10.321 ( -9.772 -7.523 17.399) 21.327 10.436 ( 3.073 -1.157 -2.122) 3.909 10.606 ( -10.142 -11.446 -0.799) 15.314 10.954 ( 0.331 -0.384 3.285) 3.324 11.026 ( 2.836 -3.488 1.997) 4.919 11.139 ( -7.381 -3.124 -10.550) 13.249 11.292 ( -8.434 -4.964 14.372) 17.388 11.543 ( 3.478 7.186 6.695) 10.419 11.710 ( -4.712 10.422 9.084) 14.606 12.010 ( 7.760 1.376 -4.466) 9.059 12.105 ( 2.611 3.720 -5.871) 7.425 12.210 ( 3.651 0.971 1.188) 3.960 12.451 ( -7.587 0.775 7.420) 10.640 12.611 ( 7.741 3.232 -0.291) 8.394 12.814 ( -0.121 1.757 -3.964) 4.338 12.865 ( 4.561 3.106 3.998) 6.814 12.956 ( 4.363 2.738 5.406) 7.467 13.644 ( 3.596 8.679 -2.581) 9.742 13.736 ( 7.806 5.377 -1.231) 9.558 13.845 ( -7.297 0.585 -9.148) 11.716 14.019 ( -4.497 2.142 -3.501) 6.088 14.207 ( 5.385 -3.045 -2.132) 6.543 14.526 ( -9.008 2.144 -4.740) 10.402 14.670 ( 3.597 -2.225 0.903) 4.325 14.733 ( 0.824 -6.924 -4.575) 8.340 14.970 ( 1.585 0.617 2.006) 2.630 15.044 ( -0.815 0.793 5.511) 5.627 15.406 ( 3.024 2.609 -25.896) 26.202 15.492 ( -1.244 5.578 -20.653) 21.430 15.738 ( 14.638 4.352 -5.944) 16.387 16.257 ( 0.348 3.343 -3.517) 4.865 16.286 ( -1.333 2.492 -2.263) 3.620 16.365 ( 0.399 4.767 -3.909) 6.178 16.641 ( -1.560 -2.905 -0.415) 3.324 16.826 ( -2.510 -13.157 2.666) 13.657 17.305 ( -4.130 -16.347 -4.197) 17.375 17.598 ( -14.317 -14.262 -7.491) 21.552 18.576 ( 3.708 8.783 0.459) 9.544 18.605 ( 2.229 6.644 0.040) 7.008 21.977 ( 3.448 6.612 4.794) 8.865 22.085 ( -2.075 5.017 4.439) 7.013 22.442 ( 11.918 3.018 1.543) 12.390 22.898 ( -10.749 -0.009 9.905) 14.617 23.393 ( 20.975 4.209 -18.067) 28.002 24.129 ( -16.970 -7.493 -14.529) 23.563 26.048 ( -0.760 -2.997 -3.605) 4.749 26.080 ( -2.060 -3.708 -3.326) 5.390 ======================= Grid point 265 (57/90) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( -11.985 7.294 15.599) 20.980 3.990 ( 11.985 7.294 15.599) 20.980 4.399 ( -23.390 13.762 8.755) 28.516 4.399 ( 23.390 13.762 8.755) 28.516 5.392 ( -6.354 -5.284 5.851) 10.126 5.392 ( 6.354 -5.284 5.851) 10.126 6.739 ( -3.637 -19.181 7.953) 21.080 6.739 ( 3.637 -19.181 7.953) 21.080 7.717 ( -6.904 -5.082 6.443) 10.724 7.717 ( 6.904 -5.082 6.443) 10.724 8.385 ( -16.061 13.923 -8.879) 23.035 8.385 ( 16.061 13.923 -8.879) 23.035 8.958 ( -8.580 5.183 0.757) 10.053 8.958 ( 8.580 5.183 0.757) 10.053 9.373 ( -4.370 2.701 1.396) 5.323 9.373 ( 4.370 2.701 1.396) 5.323 9.809 ( -10.617 -4.593 15.675) 19.482 9.809 ( 10.617 -4.593 15.675) 19.482 10.113 ( -11.218 -9.411 19.688) 24.536 10.113 ( 11.218 -9.411 19.688) 24.536 10.490 ( -3.403 -6.404 -2.711) 7.742 10.490 ( 3.403 -6.404 -2.711) 7.742 10.999 ( -4.382 -0.614 -2.957) 5.322 10.999 ( 4.382 -0.614 -2.957) 5.322 11.142 ( -6.590 -3.386 8.498) 11.274 11.142 ( 6.590 -3.386 8.498) 11.274 11.622 ( -4.495 10.340 7.186) 13.370 11.622 ( 4.495 10.340 7.186) 13.370 12.117 ( -2.374 4.827 -4.240) 6.849 12.117 ( 2.374 4.827 -4.240) 6.849 12.299 ( -7.007 -1.951 4.528) 8.568 12.299 ( 7.007 -1.951 4.528) 8.568 12.753 ( -6.014 2.347 -2.181) 6.815 12.753 ( 6.014 2.347 -2.181) 6.815 12.957 ( -3.703 3.216 5.459) 7.339 12.957 ( 3.703 3.216 5.459) 7.339 13.716 ( -4.465 6.758 -8.075) 11.437 13.716 ( 4.465 6.758 -8.075) 11.437 13.902 ( -7.494 2.949 -2.677) 8.487 13.902 ( 7.494 2.949 -2.677) 8.487 14.346 ( -8.892 -1.038 -0.467) 8.965 14.346 ( 8.892 -1.038 -0.467) 8.965 14.730 ( -1.993 -5.950 -2.472) 6.745 14.730 ( 1.993 -5.950 -2.472) 6.745 15.001 ( -2.396 1.333 4.994) 5.697 15.001 ( 2.396 1.333 4.994) 5.697 15.461 ( -2.332 3.569 -23.910) 24.287 15.461 ( 2.332 3.569 -23.910) 24.287 16.032 ( -15.633 4.581 -3.500) 16.662 16.032 ( 15.633 4.581 -3.500) 16.662 16.349 ( -2.549 3.449 -4.510) 6.224 16.349 ( 2.549 3.449 -4.510) 6.224 16.729 ( -6.990 -8.139 1.042) 10.779 16.729 ( 6.990 -8.139 1.042) 10.779 17.360 ( -9.344 -17.081 -6.537) 20.538 17.360 ( 9.344 -17.081 -6.537) 20.538 18.618 ( -0.791 8.460 0.227) 8.500 18.618 ( 0.791 8.460 0.227) 8.500 22.037 ( -2.916 6.558 4.779) 8.623 22.037 ( 2.916 6.558 4.779) 8.623 22.676 ( -12.414 1.155 6.353) 13.993 22.676 ( 12.414 1.155 6.353) 13.993 23.781 ( -19.658 -1.950 -16.324) 25.627 23.781 ( 19.658 -1.950 -16.324) 25.627 26.051 ( -0.959 -3.725 -4.054) 5.588 26.051 ( 0.959 -3.725 -4.054) 5.588 ======================= Grid point 273 (58/90) ======================= q-point: ( 0.38 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( 11.811 11.811 20.943) 26.789 4.197 ( -0.333 -0.333 12.393) 12.402 4.267 ( 16.719 16.719 12.317) 26.660 4.908 ( -9.652 -9.652 12.948) 18.814 5.218 ( 4.360 4.360 -2.741) 6.748 5.305 ( 1.518 1.518 -1.824) 2.817 6.502 ( -8.218 -8.218 11.475) 16.332 6.568 ( -11.891 -11.891 10.373) 19.758 7.583 ( -0.919 -0.919 12.563) 12.630 7.750 ( -7.651 -7.651 8.435) 13.719 8.371 ( 16.325 16.325 -8.403) 24.569 8.758 ( 1.605 1.605 -16.390) 16.547 8.854 ( 4.621 4.621 1.068) 6.622 9.205 ( -7.598 -7.598 -12.088) 16.173 9.237 ( 10.559 10.559 11.311) 18.733 9.550 ( -1.054 -1.054 24.728) 24.773 9.618 ( 1.363 1.363 -0.430) 1.975 9.800 ( -1.319 -1.319 10.960) 11.118 9.870 ( -7.052 -7.052 17.145) 19.835 10.134 ( -12.192 -12.192 15.363) 23.094 10.418 ( -0.680 -0.680 0.250) 0.993 10.445 ( -4.329 -4.329 -2.055) 6.458 10.975 ( -0.066 -0.066 -13.383) 13.383 11.005 ( 3.466 3.466 20.681) 21.254 11.065 ( -4.367 -4.367 -15.949) 17.103 11.203 ( -4.741 -4.741 21.081) 22.122 11.682 ( 7.434 7.434 11.626) 15.674 11.872 ( 3.057 3.057 21.044) 21.484 12.023 ( 3.686 3.686 -13.707) 14.664 12.165 ( 2.938 2.938 -7.368) 8.459 12.219 ( -0.568 -0.568 -1.240) 1.477 12.393 ( -7.052 -7.052 1.738) 10.123 12.697 ( 6.887 6.887 -2.275) 10.002 12.864 ( 1.489 1.489 -8.252) 8.516 12.937 ( 4.115 4.115 13.659) 14.847 13.023 ( 2.921 2.921 8.839) 9.757 13.732 ( 2.776 2.776 -8.075) 8.979 13.810 ( -2.052 -2.052 -8.706) 9.177 13.905 ( 7.996 7.996 -4.511) 12.174 14.101 ( 1.055 1.055 -4.513) 4.753 14.142 ( 2.202 2.202 1.143) 3.317 14.490 ( -8.111 -8.111 5.184) 12.588 14.601 ( -2.851 -2.851 -7.263) 8.307 14.627 ( -2.914 -2.914 3.224) 5.232 14.999 ( 2.812 2.812 5.446) 6.743 15.078 ( 1.095 1.095 7.932) 8.082 15.460 ( 2.903 2.903 -25.802) 26.126 15.542 ( -0.322 -0.322 -22.756) 22.760 15.904 ( 12.537 12.537 -2.896) 17.964 16.315 ( -1.417 -1.417 1.510) 2.509 16.326 ( 3.633 3.633 -6.448) 8.245 16.433 ( 1.053 1.053 -5.196) 5.405 16.583 ( -3.261 -3.261 -1.093) 4.739 16.640 ( -3.873 -3.873 -2.389) 5.976 17.046 ( -9.033 -9.033 -7.013) 14.574 17.306 ( -15.760 -15.760 -9.257) 24.134 18.699 ( 4.303 4.303 0.184) 6.088 18.706 ( 3.788 3.788 -0.025) 5.358 22.083 ( 4.369 4.369 8.986) 10.905 22.150 ( 1.381 1.381 9.566) 9.764 22.541 ( 7.454 7.454 1.561) 10.657 22.843 ( -5.723 -5.723 10.111) 12.951 23.533 ( 10.038 10.038 -21.138) 25.463 23.958 ( -10.428 -10.428 -16.222) 21.924 26.001 ( -1.713 -1.713 -5.167) 5.707 26.020 ( -2.530 -2.530 -5.040) 6.181 ======================= Grid point 274 (59/90) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.145 ( -5.693 8.001 16.702) 19.375 4.145 ( 5.693 8.001 16.702) 19.375 4.605 ( -18.503 6.829 11.418) 22.790 4.605 ( 18.503 6.829 11.418) 22.790 5.309 ( -2.572 -2.787 -3.321) 5.041 5.309 ( 2.572 -2.787 -3.321) 5.041 6.435 ( -1.653 -12.101 12.939) 17.793 6.435 ( 1.653 -12.101 12.939) 17.793 7.624 ( -4.985 -3.939 12.494) 14.016 7.624 ( 4.985 -3.939 12.494) 14.016 8.647 ( -11.647 13.148 -10.612) 20.522 8.647 ( 11.647 13.148 -10.612) 20.522 9.010 ( -10.305 -0.784 -5.202) 11.571 9.010 ( 10.305 -0.784 -5.202) 11.571 9.440 ( -8.529 4.975 12.495) 15.926 9.440 ( 8.529 4.975 12.495) 15.926 9.707 ( -6.847 -6.067 7.207) 11.646 9.707 ( 6.847 -6.067 7.207) 11.646 9.914 ( -9.402 -10.000 13.376) 19.166 9.914 ( 9.402 -10.000 13.376) 19.166 10.413 ( -0.295 -1.830 1.132) 2.173 10.413 ( 0.295 -1.830 1.132) 2.173 10.993 ( -2.508 -0.739 -13.788) 14.033 10.993 ( 2.508 -0.739 -13.788) 14.033 11.104 ( -5.668 -0.336 20.127) 20.913 11.104 ( 5.668 -0.336 20.127) 20.913 11.815 ( -6.166 9.520 14.401) 18.331 11.815 ( 6.166 9.520 14.401) 18.331 12.152 ( -6.037 -1.741 -5.325) 8.236 12.152 ( 6.037 -1.741 -5.325) 8.236 12.252 ( -5.906 -1.997 -3.634) 7.216 12.252 ( 5.906 -1.997 -3.634) 7.216 12.823 ( -5.290 4.870 -3.522) 8.007 12.823 ( 5.290 4.870 -3.522) 8.007 13.019 ( -3.302 2.160 10.704) 11.409 13.019 ( 3.302 2.160 10.704) 11.409 13.772 ( -1.697 0.450 -9.827) 9.982 13.772 ( 1.697 0.450 -9.827) 9.982 14.030 ( -5.151 8.303 -4.709) 10.847 14.030 ( 5.151 8.303 -4.709) 10.847 14.300 ( -10.065 -2.187 2.955) 10.715 14.300 ( 10.065 -2.187 2.955) 10.715 14.588 ( -0.873 -8.575 0.129) 8.621 14.588 ( 0.873 -8.575 0.129) 8.621 15.060 ( -2.813 3.912 8.230) 9.537 15.060 ( 2.813 3.912 8.230) 9.537 15.511 ( -2.417 1.257 -23.749) 23.905 15.511 ( 2.417 1.257 -23.749) 23.905 16.158 ( -12.903 8.095 -1.306) 15.288 16.158 ( 12.903 8.095 -1.306) 15.288 16.400 ( -3.546 1.858 -5.242) 6.596 16.400 ( 3.546 1.858 -5.242) 6.596 16.593 ( -2.808 -5.428 -2.042) 6.443 16.593 ( 2.808 -5.428 -2.042) 6.443 17.050 ( -9.311 -14.672 -10.117) 20.107 17.050 ( 9.311 -14.672 -10.117) 20.107 18.741 ( -0.163 4.401 -0.005) 4.404 18.741 ( 0.163 4.401 -0.005) 4.404 22.142 ( -1.914 4.077 10.529) 11.452 22.142 ( 1.914 4.077 10.529) 11.452 22.701 ( -8.639 1.273 5.840) 10.505 22.701 ( 8.639 1.273 5.840) 10.505 23.745 ( -11.718 -1.595 -18.936) 22.325 23.745 ( 11.718 -1.595 -18.936) 22.325 25.989 ( -0.558 -2.460 -5.798) 6.323 25.989 ( 0.558 -2.460 -5.798) 6.323 ======================= Grid point 287 (60/90) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.235 ( -0.000 -0.000 17.853) 17.853 4.235 ( 0.000 0.000 17.853) 17.853 4.659 ( 0.000 0.000 11.716) 11.716 4.659 ( 0.000 0.000 11.716) 11.716 5.289 ( -0.000 -0.000 -7.274) 7.274 5.289 ( 0.000 0.000 -7.274) 7.274 6.314 ( 0.000 0.000 15.111) 15.111 6.314 ( 0.000 0.000 15.111) 15.111 7.585 ( 0.000 0.000 14.672) 14.672 7.585 ( 0.000 0.000 14.672) 14.672 8.820 ( -0.000 -0.000 -16.520) 16.520 8.820 ( 0.000 0.000 -16.520) 16.520 8.959 ( 0.000 0.000 0.100) 0.100 8.959 ( 0.000 0.000 0.100) 0.100 9.522 ( -0.000 -0.000 23.186) 23.186 9.522 ( 0.000 0.000 23.186) 23.186 9.618 ( 0.000 0.000 -3.938) 3.938 9.618 ( 0.000 0.000 -3.938) 3.938 9.806 ( 0.000 0.000 10.062) 10.062 9.806 ( 0.000 0.000 10.062) 10.062 10.400 ( 0.000 0.000 3.439) 3.439 10.400 ( 0.000 0.000 3.439) 3.439 10.980 ( 0.000 0.000 -16.577) 16.577 10.980 ( 0.000 0.000 -16.577) 16.577 11.107 ( 0.000 0.000 23.206) 23.206 11.107 ( 0.000 0.000 23.206) 23.206 11.935 ( 0.000 0.000 26.254) 26.254 11.935 ( 0.000 0.000 26.254) 26.254 12.098 ( 0.000 0.000 -14.557) 14.557 12.098 ( -0.000 -0.000 -14.557) 14.557 12.237 ( 0.000 0.000 -7.554) 7.554 12.237 ( 0.000 0.000 -7.554) 7.554 12.886 ( -0.000 -0.000 -5.565) 5.565 12.886 ( 0.000 0.000 -5.565) 5.565 13.032 ( 0.000 0.000 13.995) 13.995 13.032 ( 0.000 0.000 13.995) 13.995 13.774 ( 0.000 0.000 -8.412) 8.412 13.774 ( 0.000 0.000 -8.412) 8.412 14.118 ( 0.000 0.000 -10.575) 10.575 14.118 ( 0.000 0.000 -10.575) 10.575 14.304 ( -0.000 -0.000 7.124) 7.124 14.304 ( 0.000 0.000 7.124) 7.124 14.469 ( -0.000 -0.000 0.940) 0.940 14.469 ( 0.000 0.000 0.940) 0.940 15.105 ( -0.000 -0.000 10.976) 10.976 15.105 ( 0.000 0.000 10.976) 10.976 15.518 ( 0.000 0.000 -23.866) 23.866 15.518 ( 0.000 0.000 -23.866) 23.866 16.262 ( 0.000 0.000 1.415) 1.415 16.262 ( 0.000 0.000 1.415) 1.415 16.419 ( 0.000 0.000 -5.462) 5.462 16.419 ( 0.000 0.000 -5.462) 5.462 16.541 ( 0.000 0.000 -3.998) 3.998 16.541 ( -0.000 -0.000 -3.998) 3.998 16.883 ( 0.000 0.000 -13.370) 13.370 16.883 ( 0.000 0.000 -13.370) 13.370 18.783 ( 0.000 0.000 -0.097) 0.097 18.783 ( 0.000 0.000 -0.097) 0.097 22.181 ( 0.000 0.000 12.851) 12.851 22.181 ( 0.000 0.000 12.851) 12.851 22.715 ( 0.000 0.000 5.929) 5.929 22.715 ( 0.000 0.000 5.929) 5.929 23.728 ( 0.000 0.000 -20.252) 20.252 23.728 ( 0.000 0.000 -20.252) 20.252 25.965 ( 0.000 0.000 -6.547) 6.547 25.965 ( 0.000 0.000 -6.547) 6.547 ======================= Grid point 324 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( 0.000 0.000 33.087) 33.087 3.542 ( 0.000 -0.000 33.087) 33.087 4.710 ( -0.000 0.000 25.713) 25.713 4.789 ( 0.000 -0.000 -13.854) 13.854 4.789 ( -0.000 -0.000 -13.854) 13.854 5.223 ( -0.000 0.000 -4.741) 4.741 6.776 ( 0.000 0.000 -3.138) 3.138 6.776 ( -0.000 0.000 -3.138) 3.138 7.078 ( 0.000 0.000 -14.275) 14.275 7.078 ( -0.000 0.000 -14.275) 14.275 8.476 ( 0.000 0.000 6.620) 6.620 8.891 ( 0.000 0.000 11.732) 11.732 8.891 ( 0.000 0.000 11.732) 11.732 8.925 ( -0.000 0.000 -15.572) 15.572 9.566 ( 0.000 0.000 -5.494) 5.494 9.566 ( -0.000 -0.000 -5.494) 5.494 9.930 ( 0.000 0.000 22.138) 22.138 10.239 ( 0.000 0.000 33.158) 33.158 10.383 ( 0.000 0.000 33.518) 33.518 10.963 ( -0.000 0.000 -3.574) 3.574 10.963 ( 0.000 0.000 -3.574) 3.574 11.231 ( 0.000 0.000 -33.089) 33.089 11.358 ( 0.000 0.000 -5.046) 5.046 11.382 ( 0.000 0.000 -24.301) 24.301 11.414 ( -0.000 -0.000 1.982) 1.982 11.414 ( 0.000 0.000 1.982) 1.982 11.481 ( 0.000 0.000 7.286) 7.286 11.535 ( 0.000 -0.000 42.982) 42.982 11.981 ( 0.000 0.000 -23.269) 23.269 12.093 ( -0.000 -0.000 -0.367) 0.367 12.093 ( -0.000 0.000 -0.367) 0.367 12.335 ( 0.000 0.000 8.756) 8.756 12.335 ( 0.000 0.000 8.756) 8.756 12.401 ( 0.000 0.000 -3.984) 3.984 12.766 ( -0.000 -0.000 25.004) 25.004 13.265 ( -0.000 0.000 20.916) 20.916 13.274 ( 0.000 0.000 24.247) 24.247 14.000 ( 0.000 0.000 1.539) 1.539 14.000 ( -0.000 0.000 1.539) 1.539 14.065 ( -0.000 -0.000 -30.575) 30.575 14.200 ( -0.000 -0.000 -20.013) 20.013 14.251 ( 0.000 0.000 8.766) 8.766 14.371 ( -0.000 -0.000 -1.762) 1.762 14.371 ( -0.000 0.000 -1.762) 1.762 14.493 ( 0.000 0.000 -5.101) 5.101 14.493 ( 0.000 0.000 -5.101) 5.101 14.663 ( 0.000 0.000 -33.503) 33.503 14.776 ( -0.000 -0.000 -27.005) 27.005 15.642 ( 0.000 0.000 3.811) 3.811 15.848 ( -0.000 0.000 -6.088) 6.088 16.133 ( -0.000 0.000 5.899) 5.899 16.133 ( 0.000 0.000 5.899) 5.899 17.524 ( -0.000 -0.000 15.196) 15.196 17.844 ( 0.000 0.000 -0.865) 0.865 17.844 ( 0.000 0.000 -0.865) 0.865 18.046 ( 0.000 0.000 -1.476) 1.476 18.046 ( -0.000 0.000 -1.476) 1.476 18.141 ( -0.000 0.000 -13.957) 13.957 21.636 ( 0.000 0.000 -1.843) 1.843 21.636 ( 0.000 0.000 -1.843) 1.843 22.035 ( 0.000 0.000 -1.836) 1.836 22.035 ( -0.000 0.000 -1.836) 1.836 23.774 ( 0.000 0.000 21.078) 21.078 24.631 ( 0.000 0.000 -19.909) 19.909 26.210 ( -0.000 0.000 1.953) 1.953 26.284 ( 0.000 0.000 -0.974) 0.974 ======================= Grid point 325 (62/90) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( 4.021 0.000 30.510) 30.774 3.622 ( 7.623 0.000 30.514) 31.452 4.694 ( -3.793 0.000 -2.842) 4.740 4.725 ( -6.607 0.000 -12.048) 13.741 4.859 ( 9.838 0.000 15.922) 18.716 5.332 ( 10.646 0.000 -4.791) 11.675 6.840 ( 6.711 0.000 -3.444) 7.543 6.849 ( 6.987 0.000 -2.347) 7.371 7.121 ( 4.584 0.000 -14.580) 15.284 7.129 ( 5.567 0.000 -12.468) 13.655 8.465 ( -1.667 0.000 6.953) 7.150 8.810 ( -7.238 0.000 10.712) 12.928 8.920 ( 2.894 0.000 11.340) 11.703 8.944 ( 0.768 0.000 -15.850) 15.869 9.429 ( -10.961 0.000 2.815) 11.317 9.482 ( -8.230 0.000 -5.308) 9.793 10.064 ( 10.830 0.000 13.258) 17.119 10.227 ( -1.099 0.000 31.711) 31.730 10.406 ( 2.151 0.000 31.891) 31.964 10.887 ( -6.355 0.000 -0.926) 6.422 10.926 ( -3.843 0.000 -3.449) 5.164 11.212 ( -2.567 0.000 -29.316) 29.428 11.228 ( -8.117 0.000 2.237) 8.420 11.232 ( -11.128 0.000 -5.890) 12.590 11.355 ( -5.823 0.000 -2.978) 6.540 11.409 ( 1.173 0.000 -7.285) 7.379 11.594 ( 2.317 0.000 28.745) 28.838 11.648 ( 9.451 0.000 3.143) 9.960 12.021 ( 2.651 0.000 -13.541) 13.798 12.103 ( 0.958 0.000 3.599) 3.725 12.208 ( 12.317 0.000 -4.603) 13.149 12.227 ( -7.584 0.000 7.831) 10.902 12.254 ( -6.633 0.000 9.081) 11.245 12.501 ( 6.590 0.000 -3.413) 7.421 12.809 ( 4.534 0.000 22.282) 22.739 13.212 ( -4.997 0.000 19.613) 20.240 13.349 ( 5.897 0.000 20.606) 21.433 13.893 ( -9.167 0.000 1.140) 9.238 14.002 ( 0.359 0.000 0.295) 0.465 14.074 ( -0.022 0.000 -26.607) 26.607 14.109 ( -7.889 0.000 -9.622) 12.443 14.201 ( -2.717 0.000 -5.334) 5.986 14.385 ( -0.176 0.000 -8.032) 8.034 14.425 ( -0.720 0.000 -12.995) 13.015 14.528 ( 4.219 0.000 -5.371) 6.829 14.559 ( 13.137 0.000 -2.782) 13.428 14.788 ( 10.241 0.000 -25.807) 27.765 14.895 ( 10.454 0.000 -16.105) 19.201 15.629 ( -2.007 0.000 5.155) 5.532 15.880 ( 3.541 0.000 -6.109) 7.061 16.143 ( 1.163 0.000 4.689) 4.831 16.178 ( 4.753 0.000 5.238) 7.073 17.302 ( -19.919 0.000 7.148) 21.163 17.713 ( -9.298 0.000 2.163) 9.546 17.829 ( -1.496 0.000 -1.033) 1.818 18.020 ( -2.689 0.000 -1.562) 3.109 18.080 ( 3.059 0.000 -0.566) 3.111 18.287 ( 8.707 0.000 -8.673) 12.290 21.648 ( 1.307 0.000 -1.843) 2.260 21.800 ( 15.971 0.000 -2.814) 16.217 22.017 ( -1.852 0.000 -1.839) 2.610 22.126 ( 9.745 0.000 -2.351) 10.024 23.724 ( -5.256 0.000 20.473) 21.137 24.554 ( -8.032 0.000 -19.149) 20.765 26.185 ( -2.596 0.000 1.459) 2.978 26.257 ( -2.368 0.000 -0.885) 2.528 ======================= Grid point 326 (63/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( 7.236 0.000 23.690) 24.770 3.797 ( 10.257 0.000 24.491) 26.552 4.550 ( -11.498 0.000 -7.388) 13.667 4.582 ( -7.494 0.000 -5.870) 9.519 5.144 ( 18.850 0.000 19.619) 27.207 5.576 ( 13.526 0.000 -2.354) 13.729 7.000 ( 8.303 0.000 -2.615) 8.705 7.023 ( 12.403 0.000 -3.634) 12.925 7.244 ( 7.522 0.000 -13.069) 15.079 7.298 ( 12.582 0.000 -7.817) 14.812 8.364 ( -10.883 0.000 8.361) 13.724 8.646 ( -9.303 0.000 6.925) 11.598 8.933 ( -2.190 0.000 -14.602) 14.765 8.991 ( 4.240 0.000 10.488) 11.313 9.230 ( -8.965 0.000 8.366) 12.262 9.306 ( -8.551 0.000 -7.174) 11.161 10.207 ( -0.538 0.000 27.442) 27.447 10.281 ( 11.399 0.000 5.662) 12.727 10.454 ( 2.922 0.000 27.472) 27.627 10.782 ( -3.907 0.000 5.229) 6.527 10.807 ( -9.363 0.000 2.386) 9.663 11.007 ( -10.994 0.000 -12.176) 16.405 11.117 ( -3.717 0.000 0.166) 3.721 11.149 ( -4.166 0.000 -19.193) 19.640 11.225 ( -7.322 0.000 -0.015) 7.322 11.396 ( -2.874 0.000 -9.739) 10.154 11.592 ( -1.742 0.000 22.964) 23.030 11.788 ( 4.876 0.000 2.147) 5.328 12.003 ( -11.722 0.000 18.105) 21.568 12.062 ( -1.936 0.000 -2.639) 3.273 12.184 ( 5.239 0.000 1.611) 5.481 12.203 ( 5.791 0.000 3.837) 6.947 12.499 ( 15.886 0.000 -2.981) 16.163 12.624 ( 6.132 0.000 -6.882) 9.217 12.905 ( 3.719 0.000 20.141) 20.481 13.101 ( -5.685 0.000 15.990) 16.970 13.414 ( -0.213 0.000 9.699) 9.702 13.734 ( -6.351 0.000 -0.335) 6.360 13.926 ( -10.224 0.000 -3.197) 10.713 13.998 ( -6.611 0.000 -13.535) 15.063 14.041 ( 3.170 0.000 2.874) 4.279 14.222 ( 4.240 0.000 -24.192) 24.561 14.354 ( -2.804 0.000 -7.824) 8.311 14.439 ( 0.472 0.000 -27.226) 27.230 14.657 ( 9.382 0.000 -4.748) 10.515 14.801 ( 12.053 0.000 -3.327) 12.504 15.024 ( 10.326 0.000 -10.175) 14.497 15.124 ( 16.090 0.000 -11.133) 19.566 15.547 ( -6.800 0.000 6.804) 9.620 15.980 ( 6.502 0.000 -5.202) 8.327 16.176 ( 2.079 0.000 2.058) 2.925 16.298 ( 6.565 0.000 3.611) 7.492 16.905 ( -19.156 0.000 2.114) 19.272 17.515 ( -11.756 0.000 3.720) 12.330 17.794 ( -1.849 0.000 -1.446) 2.347 17.950 ( -4.491 0.000 -1.783) 4.832 18.147 ( 3.817 0.000 0.258) 3.826 18.386 ( 1.769 0.000 -4.183) 4.542 21.685 ( 2.537 0.000 -1.844) 3.136 21.967 ( -3.311 0.000 -1.843) 3.790 22.155 ( 19.289 0.000 0.232) 19.290 22.412 ( 20.168 0.000 -6.858) 21.302 23.581 ( -9.508 0.000 18.194) 20.529 24.330 ( -15.491 0.000 -17.064) 23.046 26.126 ( -2.957 0.000 0.063) 2.957 26.208 ( -2.648 0.000 -0.751) 2.753 ======================= Grid point 327 (64/90) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.852 ( 9.921 0.000 14.887) 17.890 4.001 ( 11.235 0.000 16.763) 20.180 4.310 ( -13.351 0.000 -1.121) 13.398 4.417 ( -9.832 0.000 -0.022) 9.832 5.509 ( 17.897 0.000 14.258) 22.882 5.776 ( 5.959 0.000 2.342) 6.403 7.159 ( 8.474 0.000 -4.526) 9.607 7.303 ( 17.047 0.000 -1.496) 17.112 7.348 ( 2.054 0.000 -9.282) 9.507 7.604 ( 19.277 0.000 -3.202) 19.542 8.055 ( -19.891 0.000 6.417) 20.900 8.402 ( -17.922 0.000 1.517) 17.986 8.926 ( 3.297 0.000 -9.590) 10.140 9.061 ( 2.745 0.000 10.078) 10.445 9.119 ( -2.510 0.000 10.165) 10.470 9.174 ( -6.490 0.000 -9.476) 11.486 10.223 ( 2.944 0.000 21.357) 21.559 10.487 ( 10.162 0.000 -1.753) 10.313 10.525 ( 4.882 0.000 21.746) 22.287 10.576 ( -13.665 0.000 9.470) 16.625 10.723 ( -3.446 0.000 12.318) 12.791 10.829 ( -8.500 0.000 -16.164) 18.263 11.078 ( -2.890 0.000 -10.383) 10.778 11.094 ( 1.638 0.000 -2.751) 3.202 11.104 ( -4.822 0.000 1.037) 4.932 11.304 ( -6.427 0.000 -8.052) 10.302 11.565 ( -0.243 0.000 21.683) 21.685 11.774 ( -11.256 0.000 21.759) 24.498 11.854 ( 2.996 0.000 1.502) 3.351 11.986 ( -4.105 0.000 2.514) 4.814 12.356 ( 9.725 0.000 5.393) 11.120 12.403 ( 14.379 0.000 -4.456) 15.054 12.690 ( -1.777 0.000 -7.891) 8.088 12.728 ( 5.647 0.000 -1.093) 5.751 12.906 ( -0.173 0.000 22.926) 22.927 13.040 ( -2.120 0.000 10.065) 10.286 13.382 ( 0.003 0.000 0.141) 0.141 13.683 ( 1.051 0.000 -3.748) 3.892 13.715 ( -11.897 0.000 0.886) 11.930 13.871 ( -6.598 0.000 -9.068) 11.214 14.122 ( 4.816 0.000 1.008) 4.921 14.289 ( -3.851 0.000 -5.256) 6.516 14.311 ( 4.604 0.000 -28.944) 29.308 14.429 ( -1.452 0.000 -32.439) 32.472 14.876 ( 13.239 0.000 0.406) 13.245 15.000 ( 8.600 0.000 -3.860) 9.426 15.131 ( 2.147 0.000 -7.344) 7.651 15.375 ( -11.159 0.000 6.962) 13.153 15.496 ( 21.275 0.000 -5.029) 21.861 16.104 ( 6.037 0.000 -3.802) 7.135 16.207 ( 0.782 0.000 -0.392) 0.875 16.257 ( -14.344 0.000 0.543) 14.354 16.759 ( 6.676 0.000 1.764) 6.905 17.269 ( -14.137 0.000 3.191) 14.493 17.771 ( -0.298 0.000 -1.877) 1.901 17.861 ( -4.543 0.000 -2.021) 4.972 18.222 ( 4.151 0.000 0.462) 4.176 18.372 ( -2.735 0.000 -1.361) 3.055 21.743 ( 3.554 0.000 -1.846) 4.004 21.896 ( -4.103 0.000 -1.847) 4.500 22.504 ( 17.748 0.000 5.607) 18.613 22.799 ( 15.767 0.000 -7.184) 17.326 23.414 ( -4.537 0.000 10.202) 11.165 23.983 ( -20.650 0.000 -14.351) 25.147 26.093 ( -0.329 0.000 -1.040) 1.091 26.157 ( -2.737 0.000 -1.078) 2.942 ======================= Grid point 328 (65/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( -12.332 0.000 6.311) 13.853 4.063 ( 12.332 0.000 6.311) 13.853 4.216 ( -11.250 0.000 8.155) 13.895 4.216 ( 11.250 0.000 8.155) 13.895 5.762 ( -7.681 0.000 7.990) 11.083 5.762 ( 7.681 0.000 7.990) 11.083 7.305 ( -6.001 0.000 -6.290) 8.694 7.305 ( 6.001 0.000 -6.290) 8.694 7.661 ( -20.355 0.000 3.124) 20.594 7.661 ( 20.355 0.000 3.124) 20.594 8.008 ( -22.064 0.000 -1.549) 22.119 8.008 ( 22.064 0.000 -1.549) 22.119 9.039 ( -7.419 0.000 -8.882) 11.573 9.039 ( 7.419 0.000 -8.882) 11.573 9.096 ( -1.248 0.000 10.202) 10.278 9.096 ( 1.248 0.000 10.202) 10.278 10.341 ( -9.827 0.000 14.212) 17.279 10.341 ( 9.827 0.000 14.212) 17.279 10.633 ( -5.849 0.000 17.183) 18.151 10.633 ( 5.849 0.000 17.183) 18.151 10.667 ( -8.811 0.000 -9.257) 12.779 10.667 ( 8.811 0.000 -9.257) 12.779 11.054 ( -0.557 0.000 -3.802) 3.843 11.054 ( 0.557 0.000 -3.802) 3.843 11.176 ( -6.365 0.000 -5.449) 8.379 11.176 ( 6.365 0.000 -5.449) 8.379 11.610 ( -5.535 0.000 22.692) 23.358 11.610 ( 5.535 0.000 22.692) 23.358 11.915 ( -3.493 0.000 1.681) 3.876 11.915 ( 3.493 0.000 1.681) 3.876 12.551 ( -10.251 0.000 3.079) 10.704 12.551 ( 10.251 0.000 3.079) 10.704 12.660 ( -11.034 0.000 -3.271) 11.509 12.660 ( 11.034 0.000 -3.271) 11.509 12.970 ( -4.868 0.000 11.517) 12.504 12.970 ( 4.868 0.000 11.517) 12.504 13.493 ( -10.579 0.000 0.041) 10.579 13.493 ( 10.579 0.000 0.041) 10.579 13.753 ( -5.567 0.000 -6.253) 8.372 13.753 ( 5.567 0.000 -6.253) 8.372 14.211 ( -4.430 0.000 -2.163) 4.929 14.211 ( 4.430 0.000 -2.163) 4.929 14.385 ( -3.188 0.000 -31.738) 31.898 14.385 ( 3.188 0.000 -31.738) 31.898 15.117 ( -3.546 0.000 -5.380) 6.443 15.117 ( 3.546 0.000 -5.380) 6.443 15.136 ( -13.676 0.000 4.960) 14.547 15.136 ( 13.676 0.000 4.960) 14.547 15.899 ( -20.926 0.000 -2.091) 21.030 15.899 ( 20.926 0.000 -2.091) 21.030 16.190 ( -2.795 0.000 -2.261) 3.596 16.190 ( 2.795 0.000 -2.261) 3.596 16.991 ( -14.723 0.000 2.392) 14.916 16.991 ( 14.723 0.000 2.392) 14.916 17.792 ( -2.528 0.000 -2.094) 3.283 17.792 ( 2.528 0.000 -2.094) 3.283 18.302 ( -4.185 0.000 0.044) 4.185 18.302 ( 4.185 0.000 0.044) 4.185 21.817 ( -4.147 0.000 -1.848) 4.540 21.817 ( 4.147 0.000 -1.848) 4.540 22.806 ( -12.344 0.000 6.421) 13.914 22.806 ( 12.344 0.000 6.421) 13.914 23.584 ( -19.584 0.000 -9.207) 21.640 23.584 ( 19.584 0.000 -9.207) 21.640 26.111 ( -1.930 0.000 -1.352) 2.357 26.111 ( 1.930 0.000 -1.352) 2.357 ======================= Grid point 334 (66/90) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 5.249 5.249 26.456) 27.478 3.679 ( 6.787 6.787 30.058) 31.553 4.591 ( -6.978 -6.978 -7.415) 12.344 4.785 ( 3.960 3.960 -0.530) 5.625 4.968 ( 7.854 7.854 9.293) 14.482 5.347 ( 3.340 3.340 -2.926) 5.556 6.810 ( 1.395 1.395 -0.940) 2.185 6.997 ( 9.346 9.346 -5.588) 14.350 7.110 ( 2.566 2.566 -10.854) 11.445 7.225 ( 7.594 7.594 -12.536) 16.507 8.446 ( -2.754 -2.754 7.784) 8.704 8.823 ( -3.821 -3.821 8.859) 10.377 8.862 ( -0.698 -0.698 10.486) 10.532 8.955 ( 1.400 1.400 -16.396) 16.515 9.278 ( -9.944 -9.944 5.178) 14.985 9.520 ( -1.791 -1.791 -6.450) 6.929 10.093 ( 3.794 3.794 13.584) 14.605 10.213 ( -1.334 -1.334 30.371) 30.429 10.436 ( 2.846 2.846 29.469) 29.743 10.860 ( -2.620 -2.620 0.230) 3.712 10.886 ( -5.204 -5.204 1.075) 7.437 11.083 ( -9.689 -9.689 -12.037) 18.238 11.161 ( -6.440 -6.440 -17.942) 20.121 11.200 ( -2.328 -2.328 6.436) 7.229 11.283 ( -4.989 -4.989 -15.935) 17.428 11.482 ( 1.813 1.813 -12.840) 13.094 11.532 ( -0.280 -0.280 27.775) 27.777 11.788 ( 7.440 7.440 8.959) 13.819 12.093 ( 3.883 3.883 -9.329) 10.826 12.100 ( 1.890 1.890 7.759) 8.207 12.142 ( -4.472 -4.472 5.627) 8.466 12.242 ( -4.705 -4.705 12.668) 14.310 12.283 ( 7.613 7.613 -8.059) 13.449 12.530 ( 4.643 4.643 -4.883) 8.183 12.845 ( 4.005 4.005 21.371) 22.108 13.164 ( -4.718 -4.718 18.503) 19.670 13.433 ( 6.841 6.841 18.277) 20.680 13.800 ( -7.832 -7.832 2.678) 11.395 13.976 ( -2.932 -2.932 -6.461) 7.677 14.022 ( -2.672 -2.672 -20.112) 20.464 14.077 ( -2.199 -2.199 -11.375) 11.792 14.267 ( -3.462 -3.462 -12.341) 13.277 14.385 ( 6.511 6.511 -2.469) 9.533 14.448 ( 4.286 4.286 -14.563) 15.774 14.606 ( 7.206 7.206 -4.238) 11.037 14.673 ( 6.773 6.773 -0.339) 9.584 14.813 ( 4.533 4.533 -25.354) 26.152 14.948 ( 5.509 5.509 -15.321) 17.189 15.628 ( -0.708 -0.708 6.645) 6.720 15.900 ( 2.383 2.383 -6.667) 7.470 16.185 ( 2.645 2.645 4.264) 5.672 16.186 ( 2.613 2.613 3.978) 5.429 17.236 ( -10.273 -10.273 7.600) 16.396 17.431 ( -14.641 -14.641 -2.111) 20.813 17.823 ( -5.609 -5.609 2.369) 8.279 17.998 ( -3.534 -3.534 -4.069) 6.444 18.199 ( 7.774 7.774 0.637) 11.013 18.336 ( 5.017 5.017 -6.485) 9.612 21.740 ( 5.210 5.210 0.609) 7.393 21.858 ( 9.300 9.300 -5.078) 14.099 22.070 ( 1.947 1.947 -0.062) 2.754 22.164 ( 7.734 7.734 -5.160) 12.093 23.676 ( -5.045 -5.045 19.956) 21.193 24.483 ( -7.516 -7.516 -18.539) 21.370 26.164 ( -2.337 -2.337 1.199) 3.515 26.224 ( -2.916 -2.916 -1.079) 4.262 ======================= Grid point 335 (67/90) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( 8.521 7.852 20.681) 23.706 3.847 ( 9.798 5.562 24.050) 26.558 4.455 ( -7.429 -3.476 -2.002) 8.443 4.766 ( -7.446 11.992 -8.326) 16.388 5.166 ( 14.505 2.634 16.270) 21.956 5.501 ( 11.385 -7.396 -1.071) 13.618 6.882 ( 5.765 -4.225 0.170) 7.150 7.110 ( 4.160 -5.058 -8.188) 10.485 7.273 ( 12.025 13.803 -5.836) 19.214 7.424 ( 13.349 8.018 -8.433) 17.709 8.321 ( -11.138 -4.786 9.089) 15.151 8.657 ( -10.789 -0.656 2.580) 11.112 8.881 ( -0.643 -1.402 -1.671) 2.274 9.029 ( 5.870 2.078 -1.592) 6.427 9.118 ( -5.127 -7.070 4.788) 9.960 9.412 ( -8.114 6.443 -4.382) 11.249 10.179 ( -0.443 -3.098 24.442) 24.641 10.218 ( 7.290 -4.990 11.000) 14.109 10.495 ( 3.071 3.398 24.578) 25.001 10.718 ( -10.911 -6.407 5.876) 13.950 10.812 ( -3.344 -0.169 7.231) 7.968 10.890 ( -9.540 -10.025 -12.553) 18.684 11.039 ( -5.772 -9.118 -13.854) 17.561 11.133 ( -8.133 -2.630 -7.911) 11.647 11.212 ( 0.940 2.664 -0.046) 2.825 11.475 ( -1.814 5.250 -12.215) 13.418 11.537 ( -0.375 -2.974 21.517) 21.725 11.877 ( 1.620 5.148 8.659) 10.204 12.005 ( -8.442 0.625 10.891) 13.794 12.078 ( -4.712 0.348 4.843) 6.766 12.205 ( 6.276 2.785 10.357) 12.426 12.234 ( 7.407 2.918 -5.585) 9.724 12.482 ( 11.279 -0.841 -7.120) 13.365 12.671 ( 9.409 5.450 -4.822) 11.895 12.932 ( 2.639 2.795 20.979) 21.329 13.060 ( -4.461 -3.581 14.949) 16.006 13.504 ( -1.559 7.748 7.773) 11.085 13.678 ( -3.400 -4.679 1.379) 5.946 13.852 ( -8.515 -5.380 -12.331) 15.922 13.990 ( -2.657 -0.216 -3.942) 4.759 14.067 ( 2.292 0.437 -9.043) 9.339 14.228 ( -0.138 0.007 -19.747) 19.748 14.449 ( 0.743 10.197 -13.820) 17.191 14.544 ( 3.270 7.155 -8.048) 11.254 14.713 ( 4.983 7.511 -11.747) 14.807 14.814 ( 9.437 0.837 -0.685) 9.498 15.008 ( 10.930 -1.653 -9.337) 14.470 15.095 ( 11.667 -1.997 -12.381) 17.128 15.578 ( -4.526 2.865 7.516) 9.229 15.983 ( 6.355 0.401 -6.257) 8.927 16.212 ( 1.803 3.673 1.696) 4.430 16.293 ( 5.778 -0.325 2.781) 6.421 16.897 ( -19.232 -0.761 1.932) 19.344 17.290 ( -5.028 -19.607 2.398) 20.383 17.682 ( -7.975 -9.407 1.075) 12.379 17.886 ( -7.716 -6.832 -5.025) 11.466 18.308 ( 4.497 11.496 0.469) 12.354 18.429 ( 3.567 4.107 -2.578) 6.020 21.795 ( 2.293 10.481 0.181) 10.731 22.024 ( -0.821 5.589 -1.137) 5.762 22.171 ( 15.936 1.487 0.700) 16.021 22.447 ( 20.101 4.538 -9.781) 22.810 23.538 ( -9.210 -4.523 17.929) 20.658 24.272 ( -14.596 -6.078 -16.826) 23.089 26.105 ( -3.260 -2.212 -0.083) 3.940 26.167 ( -2.892 -3.924 -1.148) 5.008 ======================= Grid point 336 (68/90) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( 10.243 10.173 14.424) 20.408 4.042 ( 11.249 4.529 15.118) 19.381 4.306 ( -8.313 1.295 3.594) 9.148 4.553 ( -13.625 12.169 -2.950) 18.505 5.470 ( 15.569 -3.896 12.209) 20.165 5.687 ( 6.244 -9.142 2.152) 11.278 7.012 ( 7.570 -9.253 0.231) 11.957 7.178 ( 1.896 -12.285 -3.198) 12.836 7.507 ( 12.570 13.087 -4.811) 18.773 7.711 ( 16.731 8.125 -4.447) 19.124 8.050 ( -16.003 -1.188 6.884) 17.462 8.400 ( -16.572 0.103 -2.218) 16.720 8.874 ( 1.320 -2.366 -3.231) 4.216 9.035 ( -2.855 -2.299 4.759) 6.007 9.172 ( 5.357 2.652 -1.898) 6.271 9.281 ( -4.086 10.416 1.157) 11.248 10.177 ( 1.671 -4.016 20.856) 21.305 10.376 ( 6.778 -10.912 -0.221) 12.848 10.501 ( -10.242 -5.937 9.821) 15.382 10.552 ( 3.062 1.889 19.590) 19.917 10.679 ( -7.451 -7.504 -2.457) 10.857 10.795 ( -4.348 -1.268 3.888) 5.969 10.947 ( -3.568 -9.965 -3.959) 11.301 10.986 ( -5.656 -6.068 -8.023) 11.540 11.251 ( 2.850 8.960 -3.113) 9.904 11.412 ( -4.479 8.073 -9.887) 13.527 11.542 ( 1.633 -0.989 22.250) 22.332 11.773 ( -9.903 0.551 20.861) 23.099 11.939 ( 0.965 6.552 1.507) 6.792 12.012 ( -2.589 2.249 2.175) 4.061 12.353 ( 8.865 0.228 5.336) 10.350 12.433 ( 12.329 2.351 -4.777) 13.430 12.627 ( 2.245 -3.142 -4.306) 5.784 12.813 ( -0.614 4.284 0.408) 4.346 12.896 ( 1.791 -0.269 17.712) 17.805 13.050 ( -0.108 2.722 12.036) 12.340 13.432 ( -2.297 4.035 -3.180) 5.627 13.639 ( -5.014 -3.184 -2.828) 6.578 13.723 ( -1.406 1.090 -4.259) 4.616 13.908 ( -5.671 2.278 -3.655) 7.121 14.137 ( 4.002 1.490 -7.716) 8.819 14.228 ( -0.537 -0.522 -19.712) 19.726 14.464 ( 1.311 10.865 -14.945) 18.523 14.546 ( -1.886 8.985 -16.121) 18.552 14.870 ( 11.157 0.791 -2.230) 11.405 14.991 ( 8.315 -1.349 -3.460) 9.107 15.110 ( 1.682 -1.913 -7.779) 8.186 15.290 ( -1.398 -6.016 2.885) 6.817 15.572 ( 11.518 5.799 -1.104) 12.942 16.115 ( 6.688 1.066 -4.316) 8.030 16.236 ( -1.741 2.540 -0.148) 3.083 16.260 ( -11.041 0.772 -0.344) 11.074 16.722 ( 4.605 -3.602 1.320) 5.994 17.157 ( -9.878 -11.428 3.392) 15.482 17.571 ( -2.508 -15.899 -1.443) 16.160 17.729 ( -8.275 -12.158 -3.955) 15.229 18.382 ( 3.388 11.768 0.227) 12.248 18.460 ( -0.122 7.411 -0.724) 7.448 21.844 ( 2.990 10.089 -0.216) 10.525 21.974 ( -3.408 7.834 -0.614) 8.565 22.500 ( 17.593 -0.418 5.397) 18.407 22.822 ( 14.646 2.556 -8.533) 17.142 23.377 ( -4.100 -3.966 9.964) 11.481 23.943 ( -19.747 -4.212 -14.523) 24.872 26.063 ( -0.841 -3.020 -1.290) 3.390 26.114 ( -2.669 -4.195 -1.461) 5.182 ======================= Grid point 337 (69/90) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.140 ( -9.092 6.815 9.274) 14.667 4.140 ( 9.092 6.815 9.274) 14.667 4.285 ( -13.990 8.016 5.064) 16.900 4.285 ( 13.990 8.016 5.064) 16.900 5.689 ( -6.315 -7.470 6.905) 11.973 5.689 ( 6.315 -7.470 6.905) 11.973 7.144 ( -5.358 -13.094 -0.325) 14.152 7.144 ( 5.358 -13.094 -0.325) 14.152 7.756 ( -14.216 6.367 0.970) 15.606 7.756 ( 14.216 6.367 0.970) 15.606 8.055 ( -18.943 5.067 -3.274) 19.880 8.055 ( 18.943 5.067 -3.274) 19.880 8.945 ( -5.519 -4.184 -2.307) 7.300 8.945 ( 5.519 -4.184 -2.307) 7.300 9.242 ( -2.191 9.165 3.021) 9.896 9.242 ( 2.191 9.165 3.021) 9.896 10.271 ( -8.430 -6.456 13.651) 17.294 10.271 ( 8.430 -6.456 13.651) 17.294 10.538 ( -5.472 -8.775 -7.689) 12.886 10.538 ( 5.472 -8.775 -7.689) 12.886 10.671 ( -6.904 -0.698 19.415) 20.617 10.671 ( 6.904 -0.698 19.415) 20.617 10.927 ( -1.129 -8.212 -6.056) 10.266 10.927 ( 1.129 -8.212 -6.056) 10.266 11.323 ( -4.595 10.164 -6.271) 12.797 11.323 ( 4.595 10.164 -6.271) 12.797 11.615 ( -6.242 0.885 22.816) 23.671 11.615 ( 6.242 0.885 22.816) 23.671 11.969 ( -2.005 4.788 0.396) 5.206 11.969 ( 2.005 4.788 0.396) 5.206 12.523 ( -7.725 -1.722 -0.413) 7.926 12.523 ( 7.725 -1.722 -0.413) 7.926 12.684 ( -9.787 0.345 3.494) 10.398 12.684 ( 9.787 0.345 3.494) 10.398 12.996 ( -5.234 3.901 9.276) 11.342 12.996 ( 5.234 3.901 9.276) 11.342 13.492 ( -7.590 0.084 -4.054) 8.605 13.492 ( 7.590 0.084 -4.054) 8.605 13.792 ( -5.980 3.195 -3.088) 7.450 13.792 ( 5.980 3.195 -3.088) 7.450 14.199 ( -2.463 0.575 -13.496) 13.731 14.199 ( 2.463 0.575 -13.496) 13.731 14.501 ( -2.453 9.452 -17.066) 19.662 14.501 ( 2.453 9.452 -17.066) 19.662 15.077 ( -6.810 -2.655 -2.836) 7.840 15.077 ( 6.810 -2.655 -2.836) 7.840 15.131 ( -9.175 -1.164 1.058) 9.309 15.131 ( 9.175 -1.164 1.058) 9.309 15.911 ( -19.906 1.532 -2.138) 20.079 15.911 ( 19.906 1.532 -2.138) 20.079 16.216 ( -3.295 2.445 -2.541) 4.827 16.216 ( 3.295 2.445 -2.541) 4.827 16.926 ( -13.323 -6.627 2.276) 15.053 16.926 ( 13.323 -6.627 2.276) 15.053 17.598 ( -4.834 -16.623 -2.719) 17.524 17.598 ( 4.834 -16.623 -2.719) 17.524 18.436 ( -2.193 10.360 -0.030) 10.590 18.436 ( 2.193 10.360 -0.030) 10.590 21.907 ( -3.518 9.069 -0.439) 9.737 21.907 ( 3.518 9.069 -0.439) 9.737 22.805 ( -12.961 -0.100 6.275) 14.400 22.805 ( 12.961 -0.100 6.275) 14.400 23.556 ( -19.424 -2.893 -9.919) 22.001 23.556 ( 19.424 -2.893 -9.920) 22.001 26.072 ( -1.578 -3.849 -1.691) 4.490 26.072 ( 1.578 -3.849 -1.691) 4.490 ======================= Grid point 344 (70/90) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 11.046 11.046 14.275) 21.161 3.998 ( 9.132 9.132 20.533) 24.256 4.417 ( -1.218 -1.218 5.619) 5.878 4.956 ( 4.327 4.327 -9.322) 11.151 5.251 ( 5.453 5.453 9.064) 11.901 5.361 ( -2.984 -2.984 3.624) 5.563 6.841 ( -0.467 -0.467 3.640) 3.700 7.013 ( -4.362 -4.362 -3.777) 7.233 7.575 ( 9.030 9.030 -4.949) 13.696 7.582 ( 16.254 16.254 -5.296) 23.589 8.182 ( -9.369 -9.369 9.703) 16.423 8.575 ( -6.949 -6.949 -6.134) 11.584 8.890 ( -2.184 -2.184 3.183) 4.436 9.041 ( 0.447 0.447 -12.732) 12.748 9.072 ( 4.449 4.449 12.376) 13.884 9.501 ( 2.078 2.078 -5.510) 6.245 10.094 ( -3.414 -3.414 14.785) 15.554 10.156 ( -2.047 -2.047 18.796) 19.017 10.534 ( -4.224 -4.224 17.836) 18.809 10.583 ( -2.980 -2.980 14.430) 15.033 10.664 ( -10.914 -10.914 -8.187) 17.471 10.807 ( -3.483 -3.483 2.883) 5.708 10.872 ( -6.503 -6.503 -9.783) 13.426 11.014 ( -8.169 -8.169 -7.293) 13.662 11.308 ( 5.672 5.672 2.516) 8.407 11.516 ( 0.833 0.833 21.167) 21.200 11.550 ( 2.292 2.292 -19.059) 19.333 11.906 ( -2.671 -2.671 17.945) 18.339 12.009 ( -0.755 -0.755 2.436) 2.660 12.059 ( -0.340 -0.340 10.126) 10.137 12.305 ( 5.820 5.820 -10.773) 13.558 12.312 ( 6.233 6.233 15.586) 17.906 12.509 ( 4.156 4.156 -12.357) 13.684 12.829 ( 10.292 10.292 -2.801) 14.821 12.903 ( -6.714 -6.714 19.318) 21.525 13.076 ( 5.434 5.434 16.874) 18.541 13.569 ( -3.680 -3.680 -2.377) 5.722 13.634 ( 0.637 0.637 -3.313) 3.433 13.758 ( -3.453 -3.453 -8.138) 9.491 14.003 ( -0.208 -0.208 -7.454) 7.460 14.057 ( 1.255 1.255 -4.433) 4.775 14.252 ( 2.611 2.611 -20.662) 20.990 14.594 ( 3.644 3.644 -2.270) 5.632 14.703 ( 7.699 7.699 -17.021) 20.205 14.781 ( 0.498 0.498 3.350) 3.423 14.966 ( 8.563 8.563 -3.530) 12.614 14.968 ( 3.211 3.211 -8.197) 9.371 15.095 ( 2.596 2.596 -14.767) 15.217 15.631 ( 2.174 2.174 8.699) 9.227 16.011 ( 3.498 3.498 -8.561) 9.888 16.294 ( 2.500 2.500 1.152) 3.719 16.301 ( 2.806 2.806 0.662) 4.023 16.868 ( -8.767 -8.767 1.982) 12.556 16.908 ( -12.125 -12.125 0.245) 17.149 17.472 ( -12.210 -12.210 2.433) 17.438 17.701 ( -12.196 -12.196 -7.270) 18.717 18.487 ( 6.884 6.884 0.517) 9.749 18.521 ( 5.153 5.153 -1.168) 7.380 21.992 ( 7.510 7.510 5.198) 11.825 22.187 ( 8.521 8.521 -3.663) 12.595 22.192 ( 4.549 4.549 5.720) 8.608 22.624 ( 14.342 14.342 -15.746) 25.677 23.412 ( -8.541 -8.541 16.750) 20.651 24.100 ( -12.053 -12.053 -16.090) 23.440 26.047 ( -3.595 -3.595 -0.677) 5.128 26.085 ( -4.172 -4.172 -2.058) 6.249 ======================= Grid point 345 (71/90) ======================= q-point: ( 0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( 7.488 9.120 14.718) 18.865 4.199 ( 14.885 12.111 8.032) 20.803 4.380 ( -3.094 6.434 11.267) 13.339 4.827 ( -14.601 15.562 -4.435) 21.796 5.373 ( 8.402 -6.178 6.579) 12.331 5.452 ( 6.442 -14.648 2.225) 16.156 6.852 ( 1.448 -7.516 5.786) 9.595 6.946 ( -2.999 -11.288 2.643) 11.975 7.715 ( 6.729 7.383 0.837) 10.024 7.901 ( 14.865 12.524 -5.773) 20.277 8.003 ( -7.653 -3.057 7.928) 11.435 8.417 ( -9.824 1.585 -9.734) 13.920 8.838 ( -0.805 -2.173 -0.673) 2.413 8.997 ( -5.003 -2.731 -8.813) 10.495 9.246 ( 10.551 6.677 6.846) 14.240 9.488 ( -2.641 10.051 -0.583) 10.409 10.084 ( 1.150 -7.106 16.665) 18.153 10.141 ( 0.736 -10.893 5.670) 12.302 10.375 ( -7.436 -7.292 13.261) 16.861 10.477 ( -8.546 -10.620 -10.424) 17.160 10.597 ( 0.757 1.258 18.736) 18.794 10.700 ( -5.295 -8.899 10.431) 14.698 10.811 ( -1.897 -4.185 -5.571) 7.221 10.870 ( -6.079 -5.538 -5.701) 10.006 11.409 ( 5.061 7.028 3.990) 9.536 11.552 ( 0.460 5.077 1.875) 5.431 11.568 ( 1.892 5.055 -0.565) 5.427 11.789 ( -7.695 0.471 21.285) 22.638 12.021 ( 1.748 1.435 -0.475) 2.311 12.067 ( 0.256 3.318 2.502) 4.163 12.394 ( 5.407 4.556 6.207) 9.408 12.475 ( 9.069 2.186 -2.443) 9.643 12.594 ( 2.329 0.072 -7.077) 7.451 12.762 ( -6.902 -6.653 17.350) 19.822 13.012 ( 7.855 9.866 2.251) 12.810 13.155 ( 1.722 6.671 15.616) 17.069 13.494 ( -3.097 2.581 -9.578) 10.392 13.583 ( -4.224 -2.856 -10.331) 11.521 13.752 ( 2.447 1.128 -4.928) 5.617 13.944 ( -4.679 1.695 -6.128) 7.894 14.145 ( 5.868 -0.149 -6.597) 8.830 14.294 ( 0.423 6.353 -15.336) 16.606 14.636 ( 1.088 1.468 -3.472) 3.923 14.676 ( -3.160 7.478 -3.674) 8.911 14.928 ( 8.168 -0.981 -10.289) 13.174 14.987 ( 4.624 6.595 -0.090) 8.054 15.085 ( 0.822 1.055 -9.920) 10.010 15.206 ( 2.988 -1.980 -0.293) 3.596 15.700 ( 8.366 7.950 1.352) 11.620 16.132 ( 8.273 0.474 -6.652) 10.627 16.275 ( -10.337 2.777 -0.196) 10.705 16.314 ( -0.610 3.863 -1.261) 4.110 16.640 ( -1.299 -4.581 0.152) 4.764 16.873 ( -1.946 -17.250 1.605) 17.433 17.259 ( -8.363 -16.515 -0.055) 18.512 17.452 ( -13.174 -16.333 -6.483) 21.963 18.580 ( 3.365 8.523 0.017) 9.163 18.600 ( 2.624 6.733 -0.359) 7.235 22.081 ( 3.099 13.080 4.777) 14.265 22.171 ( -1.759 12.564 3.270) 13.102 22.490 ( 17.272 -0.395 4.079) 17.751 22.909 ( 9.834 7.029 -12.225) 17.192 23.263 ( -2.598 -8.116 8.876) 12.304 23.822 ( -17.004 -8.507 -15.003) 24.219 25.990 ( -1.951 -4.378 -1.929) 5.167 26.018 ( -2.889 -5.374 -2.494) 6.592 ======================= Grid point 346 (72/90) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.283 ( -5.769 8.455 12.045) 15.806 4.283 ( 5.769 8.455 12.045) 15.806 4.515 ( -16.991 14.689 2.442) 22.592 4.515 ( 16.991 14.689 2.442) 22.592 5.494 ( -2.669 -12.585 3.625) 13.366 5.494 ( 2.669 -12.585 3.625) 13.366 6.892 ( -2.629 -12.551 6.136) 14.216 6.892 ( 2.629 -12.551 6.136) 14.216 7.840 ( -6.950 2.513 5.736) 9.355 7.840 ( 6.950 2.513 5.736) 9.355 8.197 ( -13.465 9.455 -8.599) 18.564 8.197 ( 13.465 9.455 -8.599) 18.564 8.885 ( -5.341 -2.858 -6.040) 8.554 8.885 ( 5.341 -2.858 -6.040) 8.554 9.410 ( -6.167 8.446 3.891) 11.158 9.410 ( 6.167 8.446 3.891) 11.158 10.123 ( -3.026 -8.979 11.375) 14.805 10.123 ( 3.026 -8.979 11.375) 14.805 10.346 ( -4.450 -10.414 -2.302) 11.557 10.346 ( 4.450 -10.414 -2.302) 11.557 10.624 ( -2.727 -3.434 18.075) 18.599 10.624 ( 2.727 -3.434 18.075) 18.599 10.800 ( -1.318 -4.977 -6.236) 8.087 10.800 ( 1.318 -4.977 -6.236) 8.087 11.500 ( -4.306 8.007 -3.184) 9.633 11.500 ( 4.306 8.007 -3.184) 9.633 11.655 ( -6.078 3.365 17.644) 18.963 11.655 ( 6.078 3.365 17.644) 18.963 12.055 ( -1.464 3.418 -1.743) 4.106 12.055 ( 1.464 3.418 -1.743) 4.106 12.513 ( -6.295 0.960 1.860) 6.634 12.513 ( 6.295 0.960 1.860) 6.634 12.652 ( -6.350 -2.587 6.546) 9.480 12.652 ( 6.350 -2.587 6.546) 9.480 13.125 ( -4.492 8.397 8.457) 12.736 13.125 ( 4.492 8.397 8.457) 12.736 13.501 ( -3.679 1.030 -10.374) 11.055 13.501 ( 3.679 1.030 -10.374) 11.055 13.840 ( -5.890 1.296 -5.894) 8.433 13.840 ( 5.890 1.296 -5.894) 8.433 14.248 ( -4.625 4.146 -10.561) 12.252 14.248 ( 4.625 4.146 -10.561) 12.252 14.646 ( -0.491 3.582 -4.003) 5.394 14.646 ( 0.491 3.582 -4.003) 5.394 15.043 ( -3.550 -1.308 -8.115) 8.953 15.043 ( 3.550 -1.308 -8.115) 8.953 15.133 ( -7.393 3.638 1.466) 8.369 15.133 ( 7.393 3.638 1.466) 8.369 15.969 ( -17.661 4.972 -2.499) 18.517 15.969 ( 17.661 4.972 -2.499) 18.517 16.268 ( -4.992 2.708 -3.032) 6.438 16.268 ( 4.992 2.708 -3.032) 6.438 16.758 ( -9.268 -10.510 1.448) 14.087 16.758 ( 9.268 -10.510 1.448) 14.087 17.246 ( -6.974 -19.580 -4.174) 21.200 17.246 ( 6.974 -19.580 -4.174) 21.200 18.618 ( -0.615 8.240 -0.155) 8.265 18.618 ( 0.615 8.240 -0.155) 8.265 22.131 ( -2.399 13.607 3.909) 14.359 22.131 ( 2.399 13.607 3.909) 14.359 22.804 ( -14.700 -0.004 5.697) 15.765 22.804 ( 14.700 -0.004 5.697) 15.765 23.476 ( -18.556 -5.415 -12.339) 22.933 23.476 ( 18.556 -5.415 -12.339) 22.933 25.980 ( -0.902 -5.332 -2.575) 5.990 25.980 ( 0.902 -5.332 -2.575) 5.990 ======================= Grid point 354 (73/90) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( 8.373 8.373 11.411) 16.445 4.446 ( 14.058 14.058 4.933) 20.484 4.497 ( 4.058 4.058 17.028) 17.969 5.081 ( 2.185 2.185 -9.552) 10.040 5.131 ( -8.644 -8.644 8.584) 14.937 5.301 ( -3.079 -3.079 -0.327) 4.367 6.735 ( -4.556 -4.556 9.945) 11.850 6.771 ( -6.867 -6.867 8.287) 12.767 7.806 ( 3.402 3.402 8.967) 10.176 7.931 ( -3.331 -3.331 10.066) 11.114 8.174 ( 13.770 13.770 -10.022) 21.901 8.440 ( 0.039 0.039 -14.287) 14.288 8.800 ( -1.045 -1.045 -4.675) 4.903 8.918 ( -5.221 -5.221 -13.059) 15.002 9.411 ( 9.143 9.143 7.147) 14.773 9.607 ( 0.854 0.854 -1.600) 2.004 9.929 ( -3.554 -3.554 8.908) 10.228 10.025 ( -3.925 -3.925 16.233) 17.155 10.236 ( -6.701 -6.701 15.291) 17.990 10.280 ( -9.670 -9.670 -4.434) 14.376 10.575 ( -2.522 -2.522 5.347) 6.428 10.627 ( 0.831 0.831 19.305) 19.341 10.720 ( -4.324 -4.324 -14.080) 15.351 10.786 ( -3.939 -3.939 2.164) 5.976 11.522 ( 5.541 5.541 13.361) 15.490 11.638 ( 4.228 4.228 8.414) 10.321 11.660 ( 2.790 2.790 -21.343) 21.704 11.767 ( -2.685 -2.685 23.142) 23.451 12.046 ( 1.929 1.929 -3.639) 4.549 12.104 ( 0.601 0.601 0.032) 0.850 12.479 ( 2.299 2.299 23.275) 23.501 12.540 ( 6.159 6.159 -12.298) 15.070 12.629 ( -6.114 -6.114 24.139) 25.640 12.634 ( 2.455 2.455 -14.044) 14.467 13.186 ( 6.874 6.874 4.928) 10.899 13.240 ( 2.031 2.031 15.564) 15.827 13.528 ( -1.256 -1.256 -16.012) 16.110 13.556 ( 2.408 2.408 -8.096) 8.783 13.757 ( 0.554 0.554 -15.069) 15.089 13.932 ( -3.866 -3.866 -13.001) 14.104 14.193 ( 6.132 6.132 3.400) 9.315 14.414 ( 4.065 4.065 -9.370) 10.993 14.585 ( -3.767 -3.767 4.257) 6.819 14.716 ( -3.677 -3.677 5.399) 7.496 14.955 ( 4.975 4.975 -18.479) 19.772 15.043 ( 0.823 0.823 -8.226) 8.308 15.206 ( 4.074 4.074 -3.410) 6.694 15.223 ( 5.055 5.055 4.906) 8.671 15.875 ( 10.488 10.488 1.103) 14.873 16.167 ( 4.715 4.715 -9.087) 11.271 16.333 ( -0.934 -0.934 0.378) 1.374 16.359 ( 0.073 0.073 -2.030) 2.032 16.564 ( -5.469 -5.469 -0.717) 7.768 16.586 ( -6.069 -6.069 -2.366) 8.904 16.969 ( -12.819 -12.819 -0.427) 18.134 17.135 ( -16.432 -16.432 -7.301) 24.358 18.698 ( 4.048 4.048 -0.154) 5.727 18.701 ( 3.804 3.804 -0.325) 5.390 22.278 ( 7.479 7.479 9.450) 14.184 22.386 ( 4.807 4.807 13.618) 15.220 22.539 ( 9.921 9.921 -2.101) 14.186 23.065 ( -9.235 -9.235 11.506) 17.405 23.102 ( 9.721 9.721 -20.367) 24.572 23.623 ( -12.425 -12.425 -15.860) 23.670 25.915 ( -2.961 -2.961 -2.876) 5.081 25.930 ( -3.588 -3.588 -3.404) 6.110 ======================= Grid point 355 (74/90) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.463 ( -5.464 10.031 13.293) 17.527 4.463 ( 5.464 10.031 13.293) 17.527 4.766 ( -17.939 9.815 3.848) 20.807 4.766 ( 17.939 9.815 3.848) 20.807 5.248 ( -4.223 -11.973 -2.476) 12.935 5.248 ( 4.223 -11.973 -2.476) 12.935 6.696 ( -0.851 -7.605 11.155) 13.528 6.696 ( 0.851 -7.605 11.155) 13.528 7.868 ( -3.303 0.761 11.513) 12.002 7.868 ( 3.303 0.761 11.513) 12.002 8.381 ( -7.112 8.938 -13.568) 17.736 8.381 ( 7.112 8.938 -13.568) 17.736 8.824 ( -3.721 -3.385 -10.563) 11.699 8.824 ( 3.721 -3.385 -10.563) 11.699 9.547 ( -5.234 5.062 2.484) 7.694 9.547 ( 5.234 5.062 2.484) 7.694 9.963 ( -3.865 -5.921 12.113) 14.026 9.963 ( 3.865 -5.921 12.113) 14.026 10.163 ( -0.723 -8.868 8.685) 12.434 10.163 ( 0.723 -8.868 8.685) 12.434 10.591 ( -3.182 0.542 5.411) 6.301 10.591 ( 3.182 0.542 5.411) 6.301 10.716 ( -3.010 -4.347 -0.846) 5.355 10.716 ( 3.010 -4.347 -0.846) 5.355 11.624 ( -4.692 5.327 7.134) 10.064 11.624 ( 4.692 5.327 7.134) 10.064 11.717 ( -2.817 2.015 3.930) 5.238 11.717 ( 2.817 2.015 3.930) 5.238 12.089 ( -2.060 0.614 -4.103) 4.632 12.089 ( 2.060 0.614 -4.103) 4.632 12.528 ( -3.776 -0.690 24.231) 24.533 12.528 ( 3.776 -0.690 24.231) 24.533 12.643 ( -2.954 2.461 -10.942) 11.598 12.643 ( 2.954 2.461 -10.942) 11.598 13.249 ( -1.187 3.453 10.057) 10.699 13.249 ( 1.187 3.453 10.057) 10.699 13.548 ( -2.809 4.447 -12.550) 13.607 13.548 ( 2.809 4.447 -12.550) 13.607 13.826 ( -6.094 -2.835 -15.490) 16.885 13.826 ( 6.094 -2.835 -15.490) 16.885 14.345 ( -8.547 6.179 1.051) 10.599 14.345 ( 8.547 6.179 1.051) 10.599 14.619 ( -5.405 -5.409 3.376) 8.359 14.619 ( 5.405 -5.409 3.376) 8.359 15.036 ( -2.357 0.900 -16.138) 16.334 15.036 ( 2.357 0.900 -16.138) 16.334 15.258 ( -1.909 7.008 5.967) 9.400 15.258 ( 1.909 7.008 5.967) 9.400 16.111 ( -14.252 10.079 -3.023) 17.715 16.111 ( 14.252 10.079 -3.023) 17.715 16.310 ( -6.548 1.620 -3.234) 7.480 16.310 ( 6.548 1.620 -3.234) 7.480 16.558 ( -2.745 -9.933 -1.320) 10.390 16.558 ( 2.745 -9.933 -1.320) 10.390 16.887 ( -6.815 -17.319 -5.361) 19.368 16.887 ( 6.815 -17.319 -5.361) 19.368 18.737 ( -0.083 4.258 -0.274) 4.267 18.737 ( 0.083 4.258 -0.274) 4.267 22.376 ( -3.186 10.837 11.363) 16.022 22.376 ( 3.186 10.837 11.363) 16.022 22.808 ( -15.040 0.548 4.432) 15.689 22.808 ( 15.040 0.548 4.432) 15.689 23.363 ( -14.534 -5.876 -17.137) 23.226 23.363 ( 14.534 -5.877 -17.137) 23.226 25.890 ( -0.437 -3.686 -3.549) 5.135 25.890 ( 0.437 -3.686 -3.549) 5.135 ======================= Grid point 368 (75/90) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.593 ( 0.000 0.000 16.431) 16.431 4.593 ( 0.000 0.000 16.431) 16.431 4.842 ( 0.000 0.000 5.945) 5.945 4.842 ( 0.000 0.000 5.945) 5.945 5.122 ( -0.000 -0.000 -9.286) 9.286 5.122 ( 0.000 0.000 -9.286) 9.286 6.621 ( 0.000 0.000 13.263) 13.263 6.621 ( 0.000 0.000 13.263) 13.263 7.875 ( 0.000 0.000 13.800) 13.800 7.875 ( 0.000 0.000 13.800) 13.800 8.480 ( -0.000 -0.000 -16.164) 16.164 8.480 ( 0.000 0.000 -16.164) 16.164 8.784 ( 0.000 0.000 -12.180) 12.180 8.784 ( 0.000 0.000 -12.180) 12.180 9.584 ( 0.000 0.000 -0.124) 0.124 9.584 ( 0.000 0.000 -0.124) 0.124 9.936 ( -0.000 -0.000 17.681) 17.681 9.936 ( 0.000 0.000 17.681) 17.681 10.049 ( 0.000 0.000 9.838) 9.838 10.049 ( 0.000 0.000 9.838) 9.838 10.632 ( -0.000 -0.000 -17.137) 17.137 10.632 ( 0.000 0.000 -17.137) 17.137 10.641 ( -0.000 -0.000 19.293) 19.293 10.641 ( 0.000 0.000 19.293) 19.293 11.695 ( -0.000 -0.000 31.405) 31.405 11.695 ( 0.000 0.000 31.405) 31.405 11.717 ( 0.000 0.000 -21.905) 21.905 11.717 ( 0.000 0.000 -21.905) 21.905 12.094 ( 0.000 0.000 -5.611) 5.611 12.094 ( 0.000 0.000 -5.611) 5.611 12.513 ( -0.000 -0.000 30.155) 30.155 12.513 ( 0.000 0.000 30.155) 30.155 12.683 ( -0.000 -0.000 -14.382) 14.382 12.683 ( 0.000 0.000 -14.382) 14.382 13.270 ( 0.000 0.000 8.696) 8.696 13.270 ( 0.000 0.000 8.696) 8.696 13.623 ( 0.000 0.000 -5.899) 5.899 13.623 ( 0.000 0.000 -5.899) 5.899 13.771 ( -0.000 -0.000 -23.908) 23.908 13.771 ( 0.000 0.000 -23.908) 23.908 14.478 ( -0.000 -0.000 9.863) 9.863 14.478 ( 0.000 0.000 9.863) 9.863 14.488 ( -0.000 -0.000 0.752) 0.752 14.488 ( 0.000 0.000 0.752) 0.752 15.052 ( 0.000 0.000 -19.948) 19.948 15.052 ( 0.000 0.000 -19.948) 19.948 15.331 ( -0.000 -0.000 10.068) 10.068 15.331 ( 0.000 0.000 10.068) 10.068 16.282 ( -0.000 -0.000 0.656) 0.656 16.282 ( 0.000 0.000 0.656) 0.656 16.333 ( -0.000 -0.000 -2.867) 2.867 16.333 ( 0.000 0.000 -2.867) 2.867 16.408 ( -0.000 -0.000 -8.525) 8.525 16.408 ( 0.000 0.000 -8.525) 8.525 16.687 ( 0.000 0.000 -5.017) 5.017 16.687 ( 0.000 0.000 -5.017) 5.017 18.778 ( 0.000 0.000 -0.317) 0.317 18.778 ( 0.000 0.000 -0.317) 0.317 22.488 ( -0.000 -0.000 16.862) 16.862 22.488 ( 0.000 0.000 16.862) 16.862 22.818 ( 0.000 0.000 3.737) 3.737 22.818 ( 0.000 0.000 3.737) 3.737 23.296 ( 0.000 0.000 -21.352) 21.352 23.296 ( 0.000 0.000 -21.352) 21.352 25.854 ( 0.000 0.000 -3.979) 3.979 25.854 ( 0.000 0.000 -3.979) 3.979 ======================= Grid point 405 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( 0.000 -0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 -11.040) 11.040 5.073 ( -0.000 0.000 11.040) 11.040 6.759 ( 0.000 0.000 0.000) 0.000 6.759 ( 0.000 0.000 0.000) 0.000 6.910 ( -0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 8.653 ( -0.000 -0.000 -10.845) 10.845 8.653 ( -0.000 -0.000 10.845) 10.845 9.043 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.479 ( 0.000 0.000 0.000) 0.000 9.479 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 -33.588) 33.588 10.516 ( -0.000 0.000 33.588) 33.588 10.863 ( 0.000 0.000 -27.449) 27.449 10.863 ( 0.000 0.000 27.449) 27.449 10.922 ( 0.000 0.000 0.000) 0.000 10.922 ( 0.000 0.000 0.000) 0.000 11.031 ( 0.000 0.000 -27.003) 27.003 11.031 ( 0.000 0.000 27.003) 27.003 11.431 ( -0.000 -0.000 0.000) 0.000 11.431 ( 0.000 0.000 0.000) 0.000 11.636 ( 0.000 0.000 -9.533) 9.533 11.636 ( -0.000 0.000 9.533) 9.533 12.092 ( 0.000 0.000 0.000) 0.000 12.092 ( -0.000 0.000 0.000) 0.000 12.193 ( -0.000 0.000 -19.356) 19.356 12.193 ( -0.000 -0.000 19.356) 19.356 12.436 ( -0.000 0.000 0.000) 0.000 12.436 ( 0.000 0.000 0.000) 0.000 13.366 ( 0.000 0.000 -33.813) 33.813 13.366 ( -0.000 -0.000 33.813) 33.813 13.760 ( -0.000 0.000 -22.716) 22.716 13.760 ( -0.000 -0.000 22.716) 22.716 13.870 ( 0.000 0.000 -36.888) 36.888 13.870 ( 0.000 0.000 36.888) 36.888 14.022 ( -0.000 0.000 0.000) 0.000 14.022 ( 0.000 0.000 0.000) 0.000 14.327 ( -0.000 0.000 0.000) 0.000 14.327 ( -0.000 0.000 0.000) 0.000 14.449 ( -0.000 0.000 -11.116) 11.116 14.449 ( 0.000 0.000 11.116) 11.116 14.456 ( -0.000 0.000 0.000) 0.000 14.456 ( 0.000 0.000 0.000) 0.000 15.733 ( -0.000 0.000 -5.055) 5.055 15.733 ( -0.000 0.000 5.055) 5.055 16.194 ( -0.000 0.000 0.000) 0.000 16.194 ( 0.000 0.000 0.000) 0.000 17.837 ( 0.000 0.000 0.000) 0.000 17.837 ( 0.000 0.000 0.000) 0.000 17.839 ( -0.000 -0.000 -15.248) 15.248 17.839 ( -0.000 -0.000 15.248) 15.248 18.029 ( -0.000 0.000 0.000) 0.000 18.029 ( 0.000 0.000 0.000) 0.000 21.617 ( 0.000 0.000 0.000) 0.000 21.617 ( 0.000 0.000 0.000) 0.000 22.015 ( 0.000 0.000 0.000) 0.000 22.015 ( 0.000 0.000 0.000) 0.000 24.209 ( -0.000 0.000 -21.012) 21.012 24.209 ( -0.000 0.000 21.012) 21.012 26.252 ( 0.000 0.000 -1.958) 1.958 26.252 ( 0.000 0.000 1.958) 1.958 ======================= Grid point 407 (77/90) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( 0.191 0.000 0.000) 0.191 4.026 ( 3.915 0.000 0.000) 3.915 4.516 ( -3.529 0.000 0.000) 3.529 4.526 ( -2.410 0.000 0.000) 2.410 5.159 ( 8.961 0.000 0.000) 8.961 5.199 ( 12.632 0.000 -0.000) 12.632 6.811 ( 5.636 0.000 0.000) 5.636 6.858 ( 9.720 0.000 0.000) 9.720 6.932 ( 2.297 0.000 0.000) 2.297 6.988 ( 8.201 0.000 0.000) 8.201 8.629 ( -2.523 0.000 0.000) 2.523 8.680 ( 2.000 0.000 -0.000) 2.000 8.957 ( -8.612 0.000 0.000) 8.612 9.068 ( 2.522 0.000 -0.000) 2.522 9.396 ( -8.311 0.000 0.000) 8.311 9.423 ( -5.356 0.000 0.000) 5.356 10.524 ( 0.731 0.000 0.000) 0.731 10.530 ( 1.163 0.000 -0.000) 1.163 10.796 ( -6.302 0.000 0.000) 6.302 10.824 ( -3.683 0.000 -0.000) 3.683 10.858 ( -5.060 0.000 0.000) 5.060 10.928 ( 0.372 0.000 -0.000) 0.372 11.037 ( 0.382 0.000 0.000) 0.382 11.046 ( 0.907 0.000 -0.000) 0.907 11.259 ( -9.919 0.000 0.000) 9.919 11.372 ( -6.099 0.000 0.000) 6.099 11.731 ( 9.093 0.000 -0.000) 9.093 11.797 ( 7.316 0.000 0.000) 7.316 12.054 ( -3.666 0.000 0.000) 3.666 12.177 ( -1.619 0.000 -0.000) 1.619 12.189 ( 11.442 0.000 0.000) 11.442 12.240 ( 4.805 0.000 0.000) 4.805 12.362 ( -6.626 0.000 0.000) 6.626 12.455 ( 1.350 0.000 0.000) 1.350 13.338 ( -2.319 0.000 0.000) 2.319 13.422 ( 4.989 0.000 -0.000) 4.989 13.687 ( -7.149 0.000 0.000) 7.149 13.751 ( -8.627 0.000 0.000) 8.627 13.820 ( -4.767 0.000 -0.000) 4.767 13.836 ( 5.927 0.000 -0.000) 5.927 13.963 ( -4.283 0.000 -0.000) 4.283 14.046 ( 2.155 0.000 0.000) 2.155 14.155 ( -12.557 0.000 0.000) 12.557 14.307 ( -1.907 0.000 0.000) 1.907 14.470 ( 2.471 0.000 0.000) 2.471 14.572 ( 18.696 0.000 0.000) 18.696 14.578 ( 11.136 0.000 -0.000) 11.136 14.738 ( 14.380 0.000 0.000) 14.380 15.712 ( -2.473 0.000 -0.000) 2.473 15.785 ( 5.250 0.000 0.000) 5.250 16.193 ( 0.009 0.000 0.000) 0.009 16.233 ( 4.103 0.000 0.000) 4.103 17.379 ( -25.316 0.000 0.000) 25.316 17.750 ( -8.111 0.000 0.000) 8.111 17.820 ( -1.698 0.000 0.000) 1.698 18.002 ( -2.772 0.000 0.000) 2.772 18.075 ( 3.770 0.000 0.000) 3.770 18.177 ( 13.246 0.000 0.000) 13.246 21.629 ( 1.305 0.000 0.000) 1.305 21.771 ( 15.636 0.000 0.000) 15.636 21.997 ( -1.853 0.000 0.000) 1.853 22.102 ( 8.908 0.000 0.000) 8.908 24.134 ( -7.799 0.000 0.000) 7.799 24.159 ( -5.383 0.000 -0.000) 5.383 26.210 ( -3.969 0.000 0.000) 3.969 26.237 ( -1.473 0.000 0.000) 1.473 ======================= Grid point 409 (78/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 1.095 0.000 0.000) 1.095 4.114 ( 5.074 0.000 0.000) 5.074 4.417 ( -6.747 0.000 -0.000) 6.747 4.465 ( -3.784 0.000 0.000) 3.784 5.395 ( 15.025 0.000 0.000) 15.025 5.501 ( 17.377 0.000 0.000) 17.377 6.981 ( 12.424 0.000 0.000) 12.424 6.999 ( 4.849 0.000 0.000) 4.849 7.078 ( 11.836 0.000 0.000) 11.836 7.216 ( 15.645 0.000 -0.000) 15.645 8.509 ( -13.184 0.000 0.000) 13.184 8.667 ( -5.629 0.000 -0.000) 5.629 8.796 ( -4.371 0.000 0.000) 4.371 9.130 ( 3.796 0.000 -0.000) 3.796 9.206 ( -9.909 0.000 0.000) 9.909 9.308 ( -5.891 0.000 0.000) 5.891 10.535 ( 0.220 0.000 0.000) 0.220 10.544 ( 0.066 0.000 -0.000) 0.066 10.656 ( -7.915 0.000 0.000) 7.915 10.730 ( -6.218 0.000 -0.000) 6.218 10.783 ( -1.900 0.000 0.000) 1.900 10.937 ( 0.765 0.000 -0.000) 0.765 11.033 ( -0.926 0.000 -0.000) 0.926 11.054 ( -0.187 0.000 0.000) 0.187 11.124 ( -4.701 0.000 0.000) 4.701 11.227 ( -8.155 0.000 0.000) 8.155 11.863 ( 1.394 0.000 -0.000) 1.394 11.932 ( 10.304 0.000 0.000) 10.304 11.972 ( -4.317 0.000 -0.000) 4.317 12.132 ( -3.298 0.000 0.000) 3.298 12.247 ( -3.415 0.000 0.000) 3.415 12.351 ( 6.044 0.000 0.000) 6.044 12.459 ( -1.046 0.000 0.000) 1.046 12.482 ( 16.702 0.000 0.000) 16.702 13.321 ( 1.267 0.000 0.000) 1.267 13.489 ( -0.069 0.000 -0.000) 0.069 13.515 ( -10.095 0.000 0.000) 10.095 13.596 ( -7.392 0.000 0.000) 7.392 13.747 ( -0.985 0.000 -0.000) 0.985 13.875 ( -3.504 0.000 0.000) 3.504 13.883 ( -4.373 0.000 -0.000) 4.373 13.987 ( -5.162 0.000 0.000) 5.162 14.092 ( 2.527 0.000 0.000) 2.527 14.270 ( -1.782 0.000 0.000) 1.782 14.599 ( 11.808 0.000 0.000) 11.808 14.799 ( 11.206 0.000 0.000) 11.206 14.917 ( 12.685 0.000 0.000) 12.685 15.025 ( 19.626 0.000 0.000) 19.626 15.627 ( -6.745 0.000 -0.000) 6.745 15.914 ( 7.799 0.000 0.000) 7.799 16.199 ( 0.536 0.000 0.000) 0.536 16.337 ( 5.462 0.000 0.000) 5.462 16.927 ( -20.501 0.000 0.000) 20.501 17.557 ( -12.025 0.000 0.000) 12.025 17.780 ( -2.151 0.000 0.000) 2.151 17.929 ( -4.615 0.000 0.000) 4.615 18.150 ( 4.034 0.000 0.000) 4.034 18.337 ( 4.096 0.000 0.000) 4.096 21.666 ( 2.532 0.000 0.000) 2.532 21.948 ( -3.310 0.000 0.000) 3.310 22.162 ( 24.109 0.000 0.000) 24.109 22.337 ( 15.410 0.000 0.000) 15.410 23.925 ( -13.859 0.000 0.000) 13.859 23.999 ( -11.683 0.000 -0.000) 11.683 26.128 ( -3.892 0.000 0.000) 3.892 26.198 ( -2.581 0.000 0.000) 2.581 ======================= Grid point 411 (79/90) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.037 ( 3.434 0.000 0.000) 3.434 4.211 ( 5.084 0.000 0.000) 5.084 4.273 ( -8.041 0.000 -0.000) 8.041 4.389 ( -4.227 0.000 0.000) 4.227 5.677 ( 13.250 0.000 0.000) 13.250 5.778 ( 10.124 0.000 0.000) 10.124 7.115 ( 7.150 0.000 0.000) 7.150 7.245 ( 4.599 0.000 0.000) 4.599 7.281 ( 19.069 0.000 0.000) 19.069 7.568 ( 21.061 0.000 -0.000) 21.061 8.142 ( -23.025 0.000 0.000) 23.025 8.420 ( -19.391 0.000 0.000) 19.391 8.818 ( 4.929 0.000 0.000) 4.929 9.061 ( -6.192 0.000 0.000) 6.192 9.196 ( 2.721 0.000 -0.000) 2.721 9.231 ( -1.887 0.000 0.000) 1.887 10.520 ( -5.486 0.000 -0.000) 5.486 10.529 ( -1.727 0.000 0.000) 1.727 10.532 ( -0.277 0.000 -0.000) 0.277 10.602 ( -6.367 0.000 -0.000) 6.367 10.803 ( 3.931 0.000 0.000) 3.931 10.961 ( 1.919 0.000 -0.000) 1.919 11.013 ( -1.344 0.000 -0.000) 1.344 11.040 ( -1.057 0.000 -0.000) 1.057 11.040 ( -4.547 0.000 0.000) 4.547 11.095 ( -5.542 0.000 0.000) 5.542 11.893 ( 2.212 0.000 -0.000) 2.212 11.918 ( -0.830 0.000 -0.000) 0.830 12.008 ( -2.033 0.000 0.000) 2.033 12.047 ( -5.469 0.000 0.000) 5.469 12.343 ( 12.860 0.000 0.000) 12.860 12.441 ( 3.000 0.000 -0.000) 3.000 12.444 ( 0.221 0.000 0.000) 0.221 12.714 ( 4.448 0.000 0.000) 4.448 13.349 ( -0.185 0.000 0.000) 0.185 13.373 ( -1.755 0.000 0.000) 1.755 13.418 ( -5.316 0.000 -0.000) 5.316 13.529 ( 2.282 0.000 0.000) 2.282 13.723 ( -11.242 0.000 0.000) 11.242 13.754 ( -3.324 0.000 0.000) 3.324 13.823 ( 1.385 0.000 -0.000) 1.385 13.928 ( -2.075 0.000 -0.000) 2.075 14.140 ( 2.592 0.000 0.000) 2.592 14.234 ( -2.161 0.000 0.000) 2.161 14.882 ( 16.660 0.000 0.000) 16.660 14.979 ( 7.419 0.000 0.000) 7.419 15.058 ( 3.729 0.000 0.000) 3.729 15.447 ( 23.090 0.000 0.000) 23.090 15.452 ( -11.681 0.000 0.000) 11.681 16.060 ( 7.048 0.000 0.000) 7.048 16.204 ( -0.492 0.000 0.000) 0.492 16.262 ( -16.183 0.000 0.000) 16.183 16.779 ( 7.122 0.000 0.000) 7.122 17.303 ( -14.621 0.000 0.000) 14.621 17.751 ( -0.546 0.000 0.000) 0.546 17.839 ( -4.616 0.000 0.000) 4.616 18.227 ( 4.085 0.000 0.000) 4.085 18.356 ( -1.505 0.000 0.000) 1.505 21.724 ( 3.547 0.000 0.000) 3.547 21.876 ( -4.099 0.000 0.000) 4.099 22.623 ( 22.719 0.000 0.000) 22.719 22.656 ( 17.113 0.000 -0.000) 17.113 23.637 ( -15.189 0.000 0.000) 15.189 23.727 ( -16.234 0.000 -0.000) 16.234 26.082 ( -0.775 0.000 0.000) 0.775 26.144 ( -2.929 0.000 0.000) 2.929 ======================= Grid point 413 (80/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( -6.479 0.000 0.000) 6.479 4.131 ( 6.479 0.000 0.000) 6.479 4.304 ( -4.713 0.000 0.000) 4.713 4.304 ( 4.713 0.000 0.000) 4.713 5.844 ( -3.296 0.000 0.000) 3.296 5.844 ( 3.296 0.000 0.000) 3.296 7.239 ( -4.655 0.000 0.000) 4.655 7.239 ( 4.655 0.000 0.000) 4.655 7.685 ( -22.781 0.000 0.000) 22.781 7.685 ( 22.781 0.000 0.000) 22.781 8.004 ( -22.792 0.000 0.000) 22.792 8.004 ( 22.792 0.000 0.000) 22.792 8.938 ( -6.930 0.000 -0.000) 6.930 8.938 ( 6.930 0.000 0.000) 6.930 9.221 ( -0.091 0.000 -0.000) 0.091 9.221 ( 0.091 0.000 0.000) 0.091 10.480 ( -1.560 0.000 0.000) 1.560 10.480 ( 1.560 0.000 -0.000) 1.560 10.537 ( -1.034 0.000 0.000) 1.034 10.537 ( 1.034 0.000 0.000) 1.034 10.913 ( -6.844 0.000 0.000) 6.844 10.913 ( 6.844 0.000 -0.000) 6.844 11.012 ( -3.447 0.000 0.000) 3.447 11.012 ( 3.447 0.000 0.000) 3.447 11.022 ( -0.664 0.000 -0.000) 0.664 11.022 ( 0.664 0.000 0.000) 0.664 11.948 ( -3.409 0.000 -0.000) 3.409 11.948 ( 3.409 0.000 0.000) 3.409 11.950 ( -3.969 0.000 -0.000) 3.969 11.950 ( 3.969 0.000 0.000) 3.969 12.460 ( -0.642 0.000 0.000) 0.642 12.460 ( 0.642 0.000 0.000) 0.642 12.608 ( -12.735 0.000 0.000) 12.735 12.608 ( 12.735 0.000 0.000) 12.735 13.347 ( -1.543 0.000 0.000) 1.543 13.347 ( 1.543 0.000 0.000) 1.543 13.493 ( -11.722 0.000 0.000) 11.722 13.493 ( 11.722 0.000 0.000) 11.722 13.638 ( -7.136 0.000 0.000) 7.136 13.638 ( 7.136 0.000 -0.000) 7.136 13.882 ( -3.011 0.000 -0.000) 3.011 13.882 ( 3.011 0.000 0.000) 3.011 14.189 ( -2.516 0.000 0.000) 2.516 14.189 ( 2.516 0.000 0.000) 2.516 15.072 ( -2.196 0.000 0.000) 2.196 15.072 ( 2.196 0.000 0.000) 2.196 15.192 ( -15.488 0.000 0.000) 15.488 15.192 ( 15.488 0.000 0.000) 15.488 15.878 ( -22.194 0.000 0.000) 22.194 15.878 ( 22.194 0.000 0.000) 22.194 16.165 ( -3.827 0.000 0.000) 3.827 16.165 ( 3.827 0.000 0.000) 3.827 17.017 ( -15.068 0.000 0.000) 15.068 17.017 ( 15.068 0.000 0.000) 15.068 17.769 ( -2.446 0.000 0.000) 2.446 17.769 ( 2.446 0.000 0.000) 2.446 18.302 ( -3.686 0.000 0.000) 3.686 18.302 ( 3.686 0.000 0.000) 3.686 21.797 ( -4.141 0.000 0.000) 4.141 21.797 ( 4.141 0.000 0.000) 4.141 22.882 ( -0.988 0.000 0.000) 0.988 22.882 ( 0.988 0.000 0.000) 0.988 23.480 ( -4.161 0.000 0.000) 4.161 23.480 ( 4.161 0.000 -0.000) 4.161 26.096 ( -1.940 0.000 0.000) 1.940 26.096 ( 1.940 0.000 0.000) 1.940 ======================= Grid point 425 (81/90) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.024 ( 1.854 1.854 -4.423) 5.142 4.024 ( 1.854 1.854 4.423) 5.142 4.541 ( 1.221 1.221 -9.618) 9.772 4.541 ( 1.221 1.221 9.618) 9.772 5.229 ( 5.917 5.917 -9.220) 12.451 5.229 ( 5.917 5.917 9.220) 12.451 6.858 ( 2.935 2.935 -5.719) 7.067 6.858 ( 2.935 2.935 5.719) 7.067 7.052 ( 9.000 9.000 -3.754) 13.271 7.052 ( 9.000 9.000 3.754) 13.271 8.649 ( -1.379 -1.379 -12.221) 12.375 8.649 ( -1.379 -1.379 12.221) 12.375 8.973 ( -3.280 -3.280 -1.608) 4.910 8.973 ( -3.280 -3.280 1.608) 4.910 9.369 ( -4.110 -4.110 -6.345) 8.605 9.369 ( -4.110 -4.110 6.345) 8.605 10.521 ( -0.797 -0.797 -27.308) 27.331 10.521 ( -0.797 -0.797 27.308) 27.331 10.767 ( -4.478 -4.478 -23.288) 24.134 10.767 ( -4.478 -4.478 23.288) 24.134 10.870 ( -1.841 -1.841 -0.679) 2.691 10.870 ( -1.841 -1.841 0.679) 2.691 11.048 ( 0.398 0.398 -25.548) 25.554 11.048 ( 0.398 0.398 25.548) 25.554 11.231 ( -5.860 -5.860 -0.005) 8.287 11.231 ( -5.860 -5.860 0.005) 8.287 11.860 ( 6.110 6.110 -9.742) 13.022 11.860 ( 6.110 6.110 9.742) 13.022 12.119 ( 1.014 1.014 -12.469) 12.551 12.119 ( 1.014 1.014 12.469) 12.551 12.227 ( 1.035 1.035 -3.146) 3.470 12.227 ( 1.035 1.035 3.146) 3.470 12.413 ( 1.258 1.258 -5.184) 5.481 12.413 ( 1.258 1.258 5.184) 5.481 13.389 ( 0.827 0.827 -31.373) 31.395 13.389 ( 0.827 0.827 31.373) 31.395 13.678 ( -6.549 -6.549 -18.665) 20.837 13.678 ( -6.549 -6.549 18.665) 20.837 13.826 ( 2.455 2.455 -0.886) 3.584 13.826 ( 2.455 2.455 0.886) 3.584 13.901 ( -6.145 -6.145 -6.222) 10.688 13.901 ( -6.145 -6.145 6.222) 10.688 14.338 ( 3.877 3.877 -0.825) 5.545 14.338 ( 3.877 3.877 0.825) 5.545 14.561 ( 8.461 8.461 -1.169) 12.023 14.561 ( 8.461 8.461 1.169) 12.023 14.746 ( 6.396 6.396 -6.161) 10.944 14.746 ( 6.396 6.396 6.161) 10.944 15.763 ( 1.280 1.280 -6.469) 6.718 15.763 ( 1.280 1.280 6.469) 6.718 16.230 ( 1.802 1.802 -0.003) 2.548 16.230 ( 1.802 1.802 0.003) 2.548 17.363 ( -13.065 -13.065 -3.617) 18.827 17.363 ( -13.065 -13.065 3.617) 18.827 17.903 ( -5.387 -5.387 -4.737) 8.971 17.903 ( -5.387 -5.387 4.737) 8.971 18.234 ( 7.997 7.997 -2.964) 11.691 18.234 ( 7.997 7.997 2.964) 11.691 21.775 ( 7.592 7.592 -2.236) 10.967 21.775 ( 7.592 7.592 2.236) 10.967 22.090 ( 4.194 4.194 -1.686) 6.166 22.090 ( 4.194 4.194 1.686) 6.166 24.087 ( -6.258 -6.258 -19.824) 21.710 24.087 ( -6.258 -6.258 19.824) 21.710 26.194 ( -2.886 -2.886 -1.573) 4.374 26.194 ( -2.886 -2.886 1.573) 4.374 ======================= Grid point 427 (82/90) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( 2.310 4.532 0.000) 5.087 4.108 ( 5.049 0.283 -0.000) 5.057 4.519 ( -3.852 9.057 0.000) 9.842 4.534 ( -2.677 6.857 -0.000) 7.361 5.377 ( 11.443 -1.453 0.000) 11.535 5.448 ( 14.061 -4.754 0.000) 14.843 6.906 ( 4.314 -1.112 0.000) 4.455 6.993 ( 8.415 -5.295 0.000) 9.943 7.212 ( 10.702 14.853 0.000) 18.307 7.335 ( 16.907 9.090 -0.000) 19.196 8.490 ( -14.300 -2.575 0.000) 14.530 8.598 ( -7.575 -7.385 -0.000) 10.579 8.834 ( -3.918 4.022 0.000) 5.614 9.044 ( 4.144 -6.550 0.000) 7.750 9.249 ( -5.469 2.915 -0.000) 6.198 9.308 ( -2.769 0.058 0.000) 2.769 10.487 ( -3.059 -5.566 0.001) 6.351 10.489 ( -2.471 -4.640 -0.001) 5.257 10.620 ( -8.767 -3.158 0.000) 9.319 10.680 ( -6.211 -4.940 -0.000) 7.936 10.819 ( -0.824 0.290 0.000) 0.873 10.858 ( -1.162 -6.570 -0.000) 6.672 11.032 ( -1.766 -0.218 0.000) 1.779 11.062 ( 0.219 1.646 -0.000) 1.661 11.131 ( -1.584 0.774 0.000) 1.763 11.172 ( -2.905 -3.365 -0.000) 4.445 11.918 ( 1.333 5.000 0.000) 5.174 11.958 ( 1.475 1.498 -0.000) 2.102 12.074 ( 0.563 9.420 -0.000) 9.436 12.114 ( -3.584 -1.475 0.000) 3.876 12.194 ( -1.361 -3.998 -0.000) 4.223 12.356 ( 5.385 -6.779 0.000) 8.657 12.451 ( 5.232 8.902 -0.000) 10.325 12.560 ( 12.339 4.886 0.000) 13.271 13.319 ( -4.921 1.400 0.000) 5.116 13.465 ( 0.592 -2.038 -0.000) 2.123 13.531 ( -4.125 -2.077 0.000) 4.619 13.605 ( -1.914 -10.866 0.000) 11.033 13.679 ( -9.036 7.583 0.000) 11.796 13.782 ( -5.331 -5.387 -0.000) 7.579 13.866 ( -0.509 -2.565 0.000) 2.615 13.965 ( 3.636 3.770 -0.000) 5.238 14.310 ( 0.198 14.201 0.000) 14.202 14.455 ( -0.058 12.372 0.000) 12.372 14.611 ( 9.098 4.865 0.000) 10.317 14.834 ( 7.241 3.066 0.000) 7.863 14.908 ( 11.271 -0.722 0.000) 11.294 14.977 ( 18.720 -4.484 0.000) 19.249 15.677 ( -6.423 5.193 -0.000) 8.260 15.897 ( 8.579 -2.103 0.000) 8.833 16.232 ( 0.393 3.305 0.000) 3.329 16.323 ( 4.852 -1.170 0.000) 4.991 16.917 ( -20.809 -0.948 0.000) 20.831 17.314 ( -3.673 -20.715 0.000) 21.038 17.713 ( -10.521 -5.982 0.000) 12.103 17.815 ( -6.373 -10.788 0.000) 12.530 18.314 ( 4.064 11.740 0.000) 12.423 18.399 ( 5.442 5.221 0.000) 7.541 21.798 ( 1.809 13.264 0.000) 13.386 22.011 ( 0.507 5.707 0.000) 5.730 22.191 ( 20.130 3.848 0.000) 20.494 22.332 ( 15.643 -0.327 0.000) 15.646 23.886 ( -13.408 -4.199 0.000) 14.050 23.937 ( -10.999 -6.478 -0.000) 12.765 26.106 ( -4.361 -2.218 0.000) 4.893 26.152 ( -2.704 -4.511 0.000) 5.259 ======================= Grid point 429 (83/90) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( 5.429 7.533 0.000) 9.286 4.211 ( 5.773 1.902 -0.000) 6.079 4.404 ( -7.626 11.447 0.000) 13.755 4.451 ( -5.639 6.837 0.000) 8.862 5.614 ( 11.750 -6.523 0.000) 13.439 5.690 ( 9.572 -8.816 0.000) 13.014 7.017 ( 7.027 -5.869 0.000) 9.156 7.133 ( 4.830 -9.200 0.000) 10.391 7.456 ( 14.947 13.496 0.000) 20.139 7.664 ( 17.589 7.956 0.000) 19.304 8.151 ( -19.656 0.718 0.000) 19.669 8.363 ( -16.326 -5.293 0.000) 17.162 8.821 ( 1.829 0.195 0.000) 1.840 9.014 ( -6.270 -4.691 0.000) 7.831 9.260 ( 4.664 6.155 -0.000) 7.723 9.290 ( 0.920 5.769 0.000) 5.842 10.424 ( -2.854 -9.722 0.000) 10.132 10.434 ( -2.931 -8.307 -0.000) 8.809 10.470 ( -5.931 -4.278 0.000) 7.313 10.543 ( -7.575 -4.847 0.000) 8.993 10.831 ( 1.378 -4.051 0.000) 4.279 10.847 ( -0.040 -8.996 -0.000) 8.996 11.013 ( 0.599 3.648 0.000) 3.697 11.059 ( 0.129 2.069 -0.000) 2.073 11.116 ( -1.480 5.937 0.000) 6.119 11.122 ( -2.466 1.058 -0.000) 2.684 11.941 ( -0.656 2.288 0.000) 2.380 11.942 ( 1.622 4.961 -0.000) 5.219 12.035 ( -4.417 -1.057 0.000) 4.542 12.045 ( -3.395 3.413 -0.000) 4.814 12.289 ( 8.203 -2.910 -0.000) 8.704 12.400 ( 0.871 -3.794 0.000) 3.893 12.568 ( 7.054 10.163 0.000) 12.371 12.785 ( 6.856 6.250 0.000) 9.277 13.203 ( -4.282 -4.965 0.000) 6.556 13.381 ( -6.844 -3.018 -0.000) 7.480 13.500 ( -2.290 -0.571 0.000) 2.360 13.599 ( -3.122 -6.563 0.000) 7.268 13.602 ( 3.655 8.667 0.000) 9.406 13.716 ( -0.063 -6.954 -0.000) 6.955 13.856 ( -0.676 -0.273 0.000) 0.730 13.940 ( -5.024 11.412 0.000) 12.469 14.332 ( 1.805 14.327 0.000) 14.440 14.419 ( -2.505 14.693 0.000) 14.905 14.857 ( 14.856 -1.242 0.000) 14.907 14.977 ( 7.094 -0.687 0.000) 7.127 15.029 ( 3.273 -3.020 -0.000) 4.454 15.315 ( 7.519 -6.909 0.000) 10.211 15.579 ( 3.366 7.049 0.000) 7.812 16.064 ( 8.305 0.169 0.000) 8.307 16.234 ( -0.681 2.984 0.000) 3.061 16.258 ( -15.187 -0.255 0.000) 15.189 16.738 ( 5.107 -4.081 0.000) 6.537 17.194 ( -10.035 -11.604 0.000) 15.342 17.559 ( -4.043 -14.876 0.000) 15.415 17.682 ( -7.134 -14.224 0.000) 15.912 18.384 ( 3.260 11.627 0.000) 12.075 18.451 ( 0.542 7.818 0.000) 7.837 21.843 ( 2.812 12.019 0.000) 12.343 21.967 ( -3.297 9.233 0.000) 9.804 22.625 ( 22.113 0.231 0.000) 22.114 22.653 ( 17.163 -0.198 -0.000) 17.165 23.605 ( -15.006 -3.428 0.000) 15.392 23.679 ( -15.500 -5.039 -0.000) 16.299 26.050 ( -1.359 -3.256 0.000) 3.528 26.098 ( -2.833 -4.634 0.000) 5.431 ======================= Grid point 431 (84/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( -7.038 10.947 0.000) 13.014 4.242 ( 7.038 10.947 0.000) 13.014 4.338 ( -5.574 3.707 0.000) 6.694 4.338 ( 5.574 3.707 0.000) 6.694 5.760 ( -2.526 -8.628 0.000) 8.990 5.760 ( 2.526 -8.628 0.000) 8.990 7.137 ( -4.244 -8.917 0.000) 9.876 7.137 ( 4.244 -8.917 0.000) 9.876 7.769 ( -17.296 7.396 0.000) 18.811 7.769 ( 17.296 7.396 0.000) 18.811 8.025 ( -17.743 2.172 0.000) 17.876 8.025 ( 17.743 2.172 0.000) 17.876 8.893 ( -5.621 -3.773 0.000) 6.770 8.893 ( 5.621 -3.773 0.000) 6.770 9.312 ( -0.056 7.921 -0.000) 7.921 9.312 ( 0.056 7.921 0.000) 7.921 10.398 ( -0.326 -10.029 0.000) 10.034 10.398 ( 0.326 -10.029 0.000) 10.034 10.435 ( -2.495 -5.314 0.000) 5.871 10.435 ( 2.495 -5.314 -0.000) 5.871 10.847 ( -0.197 -9.073 0.000) 9.076 10.847 ( 0.197 -9.073 0.000) 9.076 11.055 ( -2.560 5.693 0.000) 6.242 11.055 ( 2.560 5.693 0.000) 6.242 11.085 ( -0.746 4.471 -0.000) 4.533 11.085 ( 0.746 4.471 -0.000) 4.533 11.962 ( -2.816 1.212 -0.000) 3.065 11.962 ( 2.816 1.212 0.000) 3.065 11.984 ( -2.760 3.839 0.000) 4.728 11.984 ( 2.760 3.839 0.000) 4.728 12.395 ( -2.267 -4.173 0.000) 4.749 12.395 ( 2.267 -4.173 0.000) 4.749 12.730 ( -9.149 9.734 0.000) 13.359 12.730 ( 9.149 9.734 0.000) 13.359 13.250 ( -6.635 -5.917 0.000) 8.890 13.250 ( 6.635 -5.917 -0.000) 8.890 13.507 ( -3.891 -0.499 0.000) 3.923 13.507 ( 3.891 -0.499 0.000) 3.923 13.706 ( -4.007 -1.408 0.000) 4.247 13.706 ( 4.007 -1.408 -0.000) 4.247 13.854 ( -1.798 7.263 -0.000) 7.482 13.854 ( 1.798 7.263 -0.000) 7.482 14.372 ( -2.382 14.330 0.000) 14.527 14.372 ( 2.382 14.330 0.000) 14.527 15.037 ( -2.712 -3.336 0.000) 4.300 15.037 ( 2.712 -3.336 0.000) 4.300 15.172 ( -13.700 -1.732 0.000) 13.809 15.172 ( 13.700 -1.732 0.000) 13.809 15.889 ( -20.938 1.376 0.000) 20.983 15.889 ( 20.938 1.376 0.000) 20.983 16.188 ( -4.470 2.190 0.000) 4.978 16.188 ( 4.470 2.190 0.000) 4.978 16.951 ( -14.020 -6.747 0.000) 15.559 16.951 ( 14.020 -6.747 0.000) 15.559 17.569 ( -4.108 -17.319 0.000) 17.799 17.569 ( 4.108 -17.319 0.000) 17.799 18.435 ( -1.957 10.305 0.000) 10.489 18.435 ( 1.957 10.305 0.000) 10.489 21.902 ( -3.400 10.687 0.000) 11.215 21.902 ( 3.400 10.687 0.000) 11.215 22.880 ( -0.943 -0.174 0.000) 0.959 22.880 ( 0.943 -0.174 0.000) 0.959 23.443 ( -3.611 -3.865 0.000) 5.290 23.443 ( 3.611 -3.865 -0.000) 5.290 26.054 ( -1.543 -4.209 0.000) 4.483 26.054 ( 1.543 -4.209 0.000) 4.483 ======================= Grid point 445 (85/90) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.151 ( 5.630 5.630 -4.011) 8.916 4.151 ( 5.630 5.630 4.011) 8.916 4.671 ( 4.756 4.756 -16.537) 17.853 4.671 ( 4.756 4.756 16.537) 17.853 5.376 ( 0.796 0.796 -2.429) 2.677 5.376 ( 0.796 0.796 2.429) 2.677 6.923 ( 0.262 0.262 -4.340) 4.356 6.923 ( 0.262 0.262 4.340) 4.356 7.522 ( 13.785 13.785 -0.053) 19.495 7.522 ( 13.785 13.785 0.053) 19.495 8.402 ( -9.512 -9.512 -10.741) 17.214 8.402 ( -9.512 -9.512 10.741) 17.214 8.916 ( -1.942 -1.942 -0.413) 2.778 8.916 ( -1.942 -1.942 0.413) 2.778 9.321 ( 3.568 3.568 -11.211) 12.294 9.321 ( 3.568 3.568 11.211) 12.294 10.362 ( -7.471 -7.471 -15.923) 19.110 10.362 ( -7.471 -7.471 15.923) 19.110 10.553 ( -6.176 -6.176 -16.736) 18.879 10.553 ( -6.176 -6.176 16.736) 18.879 10.737 ( -5.717 -5.717 -8.146) 11.477 10.737 ( -5.717 -5.717 8.146) 11.477 11.079 ( 0.947 0.947 -25.798) 25.833 11.079 ( 0.947 0.947 25.798) 25.833 11.154 ( 1.976 1.976 -11.311) 11.651 11.154 ( 1.976 1.976 11.311) 11.651 11.995 ( 1.860 1.860 -17.814) 18.007 11.995 ( 1.860 1.860 17.814) 18.007 12.110 ( -1.152 -1.152 -1.115) 1.974 12.110 ( -1.152 -1.152 1.115) 1.974 12.242 ( 1.414 1.414 -13.172) 13.322 12.242 ( 1.414 1.414 13.172) 13.322 12.662 ( 9.297 9.297 -14.572) 19.626 12.662 ( 9.297 9.297 14.572) 19.626 13.380 ( -3.104 -3.104 -16.998) 17.556 13.380 ( -3.104 -3.104 16.998) 17.556 13.460 ( -2.660 -2.660 -24.147) 24.438 13.460 ( -2.660 -2.660 24.147) 24.438 13.687 ( -3.825 -3.825 -16.513) 17.377 13.687 ( -3.825 -3.825 16.513) 17.377 14.007 ( 6.125 6.125 -0.179) 8.663 14.007 ( 6.125 6.125 0.179) 8.663 14.547 ( 5.665 5.665 -0.344) 8.019 14.547 ( 5.665 5.665 0.344) 8.019 14.887 ( 3.304 3.304 -6.164) 7.735 14.887 ( 3.304 3.304 6.164) 7.735 14.911 ( 7.174 7.174 -0.079) 10.146 14.911 ( 7.174 7.174 0.079) 10.146 15.823 ( 2.281 2.281 -9.174) 9.724 15.823 ( 2.281 2.281 9.174) 9.724 16.308 ( 1.862 1.862 -0.022) 2.633 16.308 ( 1.862 1.862 0.022) 2.633 16.899 ( -10.986 -10.986 -0.306) 15.539 16.899 ( -10.986 -10.986 0.306) 15.539 17.562 ( -12.432 -12.432 -5.869) 18.535 17.562 ( -12.432 -12.432 5.869) 18.535 18.500 ( 6.217 6.217 -0.750) 8.825 18.500 ( 6.217 6.217 0.750) 8.825 22.099 ( 8.717 8.717 -4.516) 13.129 22.099 ( 8.717 8.717 4.516) 13.129 22.355 ( 9.473 9.473 -10.352) 16.931 22.355 ( 9.473 9.473 10.353) 16.931 23.760 ( -10.611 -10.611 -16.901) 22.601 23.760 ( -10.611 -10.611 16.901) 22.601 26.051 ( -4.381 -4.381 -0.993) 6.275 26.051 ( -4.381 -4.381 0.993) 6.275 ======================= Grid point 447 (86/90) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( 8.779 9.239 0.000) 12.745 4.295 ( 8.475 6.939 -0.000) 10.953 4.644 ( -6.297 12.490 0.000) 13.988 4.655 ( -6.357 13.568 -0.000) 14.984 5.443 ( 6.524 -10.847 0.000) 12.658 5.475 ( 6.116 -12.865 0.000) 14.245 6.924 ( 1.487 -4.137 0.000) 4.396 6.964 ( 1.321 -7.699 0.000) 7.811 7.728 ( 10.950 14.474 -0.000) 18.149 7.825 ( 14.215 8.646 0.000) 16.637 8.163 ( -11.968 0.509 0.000) 11.979 8.254 ( -8.741 -5.513 0.000) 10.334 8.812 ( -3.521 -1.662 0.000) 3.893 8.893 ( -4.533 -7.686 0.000) 8.923 9.406 ( 5.609 8.456 0.000) 10.147 9.422 ( 4.837 7.389 -0.000) 8.831 10.232 ( -4.392 -9.196 0.000) 10.191 10.251 ( -4.334 -10.057 -0.000) 10.951 10.401 ( -6.806 -2.727 0.000) 7.332 10.443 ( -7.085 -5.185 -0.000) 8.779 10.656 ( -2.122 -10.382 -0.000) 10.596 10.668 ( -2.310 -10.377 0.000) 10.631 11.076 ( -0.544 -0.383 0.000) 0.665 11.079 ( -0.299 -0.300 -0.000) 0.423 11.183 ( 1.864 6.185 -0.000) 6.460 11.216 ( 2.103 4.312 0.000) 4.798 11.990 ( -0.620 2.258 -0.000) 2.341 12.016 ( -1.510 -0.585 0.000) 1.620 12.063 ( 0.797 7.094 0.000) 7.139 12.118 ( -1.573 4.067 -0.000) 4.360 12.260 ( 4.618 -0.033 -0.000) 4.618 12.328 ( 2.325 -3.432 0.000) 4.145 12.780 ( 6.828 11.579 -0.000) 13.442 12.903 ( 11.159 5.365 0.000) 12.381 13.181 ( -9.551 2.225 0.000) 9.807 13.327 ( -7.192 -3.223 -0.000) 7.881 13.462 ( 0.129 -2.743 0.000) 2.746 13.476 ( 2.819 -5.435 -0.000) 6.122 13.626 ( -2.242 -2.829 0.001) 3.609 13.640 ( -0.683 -2.017 -0.001) 2.129 14.029 ( 2.213 14.305 -0.000) 14.475 14.141 ( 1.687 9.038 0.000) 9.194 14.582 ( 1.747 10.523 0.000) 10.667 14.631 ( 0.133 5.329 0.000) 5.331 14.900 ( 3.938 1.537 0.000) 4.228 14.947 ( 1.884 -5.411 -0.000) 5.729 14.986 ( 7.456 8.109 0.000) 11.016 15.218 ( 9.598 -2.322 0.000) 9.875 15.738 ( 0.442 10.305 0.000) 10.315 16.043 ( 11.758 -2.952 0.000) 12.123 16.273 ( -12.027 2.461 0.000) 12.276 16.303 ( -1.134 3.873 0.000) 4.036 16.642 ( -0.841 -5.407 0.000) 5.472 16.889 ( -1.219 -19.085 0.000) 19.124 17.280 ( -12.630 -14.430 0.000) 19.176 17.363 ( -10.622 -18.543 0.000) 21.369 18.579 ( 3.187 8.409 0.000) 8.993 18.595 ( 2.864 6.808 0.000) 7.386 22.141 ( 1.871 18.124 0.000) 18.220 22.201 ( -0.346 14.429 0.000) 14.433 22.636 ( 19.349 1.313 0.000) 19.393 22.653 ( 16.563 0.471 -0.000) 16.570 23.503 ( -14.242 -7.524 0.000) 16.108 23.538 ( -13.591 -9.714 -0.000) 16.706 25.971 ( -2.719 -4.688 0.000) 5.419 25.989 ( -2.890 -6.148 0.000) 6.794 ======================= Grid point 449 (87/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.437 ( -0.477 8.055 0.000) 8.070 4.437 ( 0.477 8.055 0.000) 8.070 4.515 ( -0.419 15.396 0.000) 15.402 4.515 ( 0.419 15.396 0.000) 15.402 5.532 ( -1.190 -14.958 0.000) 15.005 5.532 ( 1.190 -14.958 0.000) 15.005 6.960 ( -1.633 -8.831 0.000) 8.981 6.960 ( 1.633 -8.831 0.000) 8.981 7.927 ( -9.348 8.875 -0.000) 12.890 7.927 ( 9.348 8.875 0.000) 12.890 8.079 ( -9.044 3.295 0.000) 9.626 8.079 ( 9.044 3.295 -0.000) 9.626 8.806 ( -3.011 -5.487 0.000) 6.259 8.806 ( 3.011 -5.487 0.000) 6.259 9.471 ( -0.334 7.947 -0.000) 7.954 9.471 ( 0.334 7.947 0.000) 7.954 10.206 ( -0.837 -8.901 0.000) 8.940 10.206 ( 0.837 -8.901 0.000) 8.940 10.341 ( -1.742 -4.072 -0.000) 4.429 10.341 ( 1.742 -4.072 -0.000) 4.429 10.643 ( -0.438 -11.742 0.000) 11.750 10.643 ( 0.438 -11.742 0.000) 11.750 11.072 ( -0.175 -1.231 0.000) 1.243 11.072 ( 0.175 -1.231 0.000) 1.243 11.219 ( -1.414 6.355 -0.000) 6.511 11.219 ( 1.414 6.355 -0.000) 6.511 11.989 ( -0.663 1.544 -0.000) 1.681 11.989 ( 0.663 1.544 0.000) 1.681 12.090 ( -1.377 6.940 0.000) 7.075 12.090 ( 1.377 6.940 0.000) 7.075 12.332 ( -2.023 -2.509 -0.000) 3.223 12.332 ( 2.023 -2.509 0.000) 3.223 12.925 ( -7.866 10.160 0.000) 12.850 12.925 ( 7.866 10.160 0.000) 12.850 13.174 ( -8.186 -2.061 0.000) 8.441 13.174 ( 8.186 -2.061 -0.000) 8.441 13.477 ( -1.536 -2.571 0.000) 2.994 13.477 ( 1.536 -2.571 0.000) 2.994 13.627 ( -1.228 -3.777 -0.000) 3.971 13.627 ( 1.228 -3.777 -0.000) 3.971 14.098 ( -4.401 14.494 -0.000) 15.147 14.098 ( 4.401 14.494 0.000) 15.147 14.612 ( -1.437 8.788 0.000) 8.905 14.612 ( 1.437 8.788 0.000) 8.905 14.955 ( -1.241 -5.471 -0.000) 5.610 14.955 ( 1.241 -5.471 0.000) 5.610 15.176 ( -10.109 4.299 0.000) 10.986 15.176 ( 10.109 4.299 0.000) 10.986 15.941 ( -17.591 4.381 0.000) 18.128 15.941 ( 17.591 4.381 0.000) 18.128 16.235 ( -6.542 2.522 0.000) 7.011 16.235 ( 6.542 2.522 0.000) 7.012 16.775 ( -10.224 -11.352 0.000) 15.277 16.775 ( 10.224 -11.352 0.000) 15.277 17.201 ( -4.647 -20.408 0.000) 20.931 17.201 ( 4.647 -20.408 0.000) 20.931 18.616 ( -0.542 8.164 0.000) 8.182 18.616 ( 0.542 8.164 0.000) 8.182 22.175 ( -1.760 17.308 0.000) 17.397 22.175 ( 1.760 17.308 0.000) 17.397 22.876 ( -0.773 -0.288 0.000) 0.825 22.876 ( 0.773 -0.288 0.000) 0.825 23.332 ( -2.242 -8.003 0.000) 8.311 23.332 ( 2.242 -8.003 -0.000) 8.311 25.953 ( -0.706 -5.900 0.000) 5.942 25.953 ( 0.706 -5.900 0.000) 5.942 ======================= Grid point 465 (88/90) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.467 ( 10.637 10.637 -2.874) 15.315 4.467 ( 10.637 10.637 2.874) 15.315 4.833 ( 3.243 3.243 -14.579) 15.283 4.833 ( 3.243 3.243 14.579) 15.283 5.260 ( -6.844 -6.844 -4.019) 10.481 5.260 ( -6.844 -6.844 4.019) 10.481 6.856 ( -3.246 -3.246 -0.892) 4.676 6.856 ( -3.246 -3.246 0.892) 4.676 7.979 ( 9.265 9.265 -8.693) 15.724 7.979 ( 9.265 9.265 8.693) 15.724 8.167 ( -1.952 -1.952 -12.501) 12.802 8.167 ( -1.952 -1.952 12.501) 12.802 8.752 ( -5.164 -5.164 -2.059) 7.588 8.752 ( -5.164 -5.164 2.059) 7.588 9.539 ( 4.384 4.384 -4.998) 7.964 9.539 ( 4.384 4.384 4.998) 7.964 10.112 ( -2.993 -2.993 -9.734) 10.614 10.112 ( -2.993 -2.993 9.734) 10.614 10.354 ( -3.800 -3.800 -15.521) 16.425 10.354 ( -3.800 -3.800 15.521) 16.425 10.486 ( -7.047 -7.047 -10.056) 14.158 10.486 ( -7.047 -7.047 10.056) 14.158 11.053 ( -1.560 -1.560 -7.554) 7.869 11.053 ( -1.560 -1.560 7.554) 7.869 11.279 ( 2.816 2.816 -3.541) 5.329 11.279 ( 2.816 2.816 3.541) 5.329 12.014 ( 0.378 0.378 -1.866) 1.941 12.014 ( 0.378 0.378 1.866) 1.941 12.189 ( 4.042 4.042 -20.059) 20.858 12.189 ( 4.042 4.042 20.059) 20.858 12.282 ( 0.436 0.436 -20.782) 20.792 12.282 ( 0.436 0.436 20.782) 20.792 12.990 ( 7.417 7.417 -23.660) 25.881 12.990 ( 7.417 7.417 23.660) 25.881 13.230 ( -3.142 -3.142 -28.904) 29.243 13.230 ( -3.142 -3.142 28.904) 29.243 13.418 ( -1.101 -1.101 -1.837) 2.408 13.418 ( -1.101 -1.101 1.837) 2.408 13.593 ( -1.736 -1.736 -17.410) 17.582 13.593 ( -1.736 -1.736 17.410) 17.582 14.274 ( 7.684 7.684 -4.650) 11.820 14.274 ( 7.684 7.684 4.650) 11.820 14.693 ( 1.736 1.736 -7.452) 7.846 14.693 ( 1.736 1.736 7.452) 7.846 14.851 ( -3.362 -3.362 -7.976) 9.286 14.851 ( -3.362 -3.362 7.976) 9.286 15.246 ( 8.692 8.692 -1.922) 12.441 15.246 ( 8.692 8.692 1.922) 12.441 15.976 ( 6.194 6.194 -7.932) 11.817 15.976 ( 6.194 6.194 7.932) 11.817 16.338 ( -0.600 -0.600 -0.119) 0.856 16.338 ( -0.600 -0.600 0.119) 0.856 16.558 ( -6.728 -6.728 -0.090) 9.516 16.558 ( -6.728 -6.728 0.090) 9.516 17.013 ( -15.229 -15.229 -4.274) 21.958 17.013 ( -15.229 -15.229 4.274) 21.958 18.697 ( 3.893 3.893 -0.049) 5.506 18.697 ( 3.893 3.893 0.049) 5.506 22.448 ( 10.054 10.054 -6.650) 15.696 22.448 ( 10.054 10.054 6.650) 15.696 22.709 ( 7.815 7.815 -17.652) 20.827 22.709 ( 7.815 7.815 17.652) 20.827 23.320 ( -12.187 -12.187 -13.509) 21.898 23.320 ( -12.187 -12.187 13.509) 21.898 25.889 ( -3.699 -3.699 -0.397) 5.246 25.889 ( -3.699 -3.699 0.397) 5.246 ======================= Grid point 467 (89/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.629 ( -0.641 12.333 -0.000) 12.349 4.629 ( 0.641 12.333 0.000) 12.349 4.783 ( -1.103 11.250 0.000) 11.304 4.783 ( 1.103 11.250 0.000) 11.304 5.220 ( -0.476 -17.338 0.000) 17.345 5.220 ( 0.476 -17.338 0.000) 17.345 6.825 ( -0.188 -5.078 0.000) 5.082 6.825 ( 0.188 -5.078 0.000) 5.082 8.086 ( -3.414 7.220 -0.000) 7.986 8.086 ( 3.414 7.220 0.000) 7.986 8.138 ( -3.190 2.541 0.000) 4.079 8.138 ( 3.190 2.541 -0.000) 4.079 8.695 ( -0.608 -5.616 0.000) 5.648 8.695 ( 0.608 -5.616 0.000) 5.648 9.575 ( -0.046 2.346 0.000) 2.346 9.575 ( 0.046 2.346 0.000) 2.346 10.108 ( -0.025 -0.441 0.000) 0.441 10.108 ( 0.025 -0.441 0.000) 0.441 10.293 ( -0.323 -1.214 -0.000) 1.256 10.293 ( 0.323 -1.214 0.000) 1.256 10.424 ( -0.259 -10.813 0.000) 10.816 10.424 ( 0.259 -10.813 -0.000) 10.816 11.036 ( -0.012 -2.077 0.000) 2.077 11.036 ( 0.012 -2.077 0.000) 2.077 11.305 ( -0.226 2.840 -0.000) 2.849 11.305 ( 0.226 2.840 0.000) 2.849 12.018 ( -0.027 1.370 0.000) 1.370 12.018 ( 0.027 1.370 0.000) 1.370 12.222 ( -0.743 6.123 0.000) 6.168 12.222 ( 0.743 6.123 0.000) 6.168 12.297 ( -0.932 -1.166 -0.000) 1.493 12.297 ( 0.932 -1.166 -0.000) 1.493 13.093 ( -6.236 7.128 0.000) 9.471 13.093 ( 6.236 7.128 0.000) 9.471 13.161 ( -6.644 0.298 -0.000) 6.651 13.161 ( 6.644 0.298 -0.000) 6.651 13.415 ( -0.224 -3.661 0.000) 3.668 13.415 ( 0.224 -3.661 0.000) 3.668 13.574 ( -0.580 -2.026 -0.000) 2.108 13.574 ( 0.580 -2.026 -0.000) 2.108 14.353 ( -1.577 11.760 0.000) 11.865 14.353 ( 1.577 11.760 0.000) 11.865 14.697 ( -1.082 1.826 0.000) 2.123 14.697 ( 1.082 1.826 0.000) 2.123 14.824 ( -0.384 -7.906 -0.000) 7.915 14.824 ( 0.384 -7.906 -0.000) 7.915 15.339 ( -2.692 10.201 0.000) 10.551 15.339 ( 2.692 10.201 0.000) 10.551 16.068 ( -10.355 9.461 0.000) 14.027 16.068 ( 10.355 9.461 0.000) 14.027 16.277 ( -8.184 1.754 0.000) 8.370 16.277 ( 8.184 1.754 0.000) 8.370 16.543 ( -2.325 -12.676 0.000) 12.887 16.543 ( 2.325 -12.676 0.000) 12.887 16.832 ( -2.052 -17.199 0.000) 17.321 16.832 ( 2.052 -17.199 0.000) 17.321 18.734 ( -0.062 4.213 0.000) 4.213 18.734 ( 0.062 4.213 0.000) 4.213 22.524 ( -0.371 18.788 0.000) 18.792 22.524 ( 0.371 18.788 0.000) 18.792 22.871 ( -0.444 -0.235 0.000) 0.502 22.871 ( 0.444 -0.235 0.000) 0.502 23.138 ( -0.774 -12.437 0.000) 12.461 23.138 ( 0.774 -12.437 -0.000) 12.461 25.853 ( -0.114 -4.129 0.000) 4.131 25.853 ( 0.114 -4.129 0.000) 4.131 ======================= Grid point 493 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.98e-04 5.98e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.896 ( -0.000 -0.000 -12.870) 12.870 4.896 ( 0.000 0.000 -12.870) 12.870 4.896 ( -0.000 -0.000 12.870) 12.870 4.896 ( 0.001 0.001 12.870) 12.870 4.903 ( -0.001 -0.001 0.000) 0.001 4.903 ( -0.000 -0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 8.164 ( 0.000 0.000 -14.605) 14.605 8.164 ( 0.000 0.000 -14.605) 14.605 8.164 ( 0.000 0.000 14.605) 14.605 8.164 ( 0.000 0.000 14.605) 14.605 8.632 ( -0.000 -0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 10.149 ( -0.000 -0.000 0.000) 0.000 10.149 ( -0.000 -0.000 0.000) 0.000 10.283 ( -0.000 -0.000 -16.741) 16.741 10.283 ( 0.000 0.000 -16.741) 16.741 10.283 ( 0.000 0.000 16.741) 16.741 10.283 ( 0.000 0.000 16.741) 16.741 11.013 ( 0.000 0.000 -0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 -0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 12.032 ( 0.000 0.000 0.000) 0.000 12.032 ( 0.000 0.000 0.000) 0.000 12.286 ( -0.000 -0.000 -24.438) 24.438 12.286 ( 0.000 0.000 -24.438) 24.438 12.286 ( 0.000 0.000 24.438) 24.438 12.286 ( -0.000 -0.000 24.438) 24.438 13.169 ( 0.000 0.000 -32.637) 32.637 13.169 ( -0.000 -0.000 -32.637) 32.637 13.169 ( -0.000 -0.000 32.637) 32.637 13.169 ( 0.000 0.000 32.637) 32.637 13.369 ( 0.000 0.000 -0.000) 0.000 13.369 ( -0.000 -0.000 0.000) 0.000 13.552 ( -0.000 -0.000 -0.000) 0.000 13.552 ( 0.000 0.000 0.000) 0.000 14.496 ( -0.000 -0.000 0.000) 0.000 14.496 ( -0.000 -0.000 0.000) 0.000 14.714 ( 0.000 0.000 -13.447) 13.447 14.714 ( 0.000 0.000 -13.447) 13.447 14.714 ( 0.000 0.000 13.447) 13.447 14.714 ( 0.000 0.000 13.447) 13.447 15.453 ( 0.000 0.000 0.000) 0.000 15.453 ( 0.000 0.000 0.000) 0.000 16.293 ( -0.001 -0.001 0.000) 0.002 16.293 ( 0.002 0.002 0.000) 0.002 16.296 ( -0.003 -0.003 -0.962) 0.962 16.296 ( 0.001 0.001 -0.962) 0.962 16.296 ( -0.000 -0.000 0.962) 0.962 16.296 ( 0.001 0.001 0.962) 0.962 16.643 ( 0.000 0.000 0.000) 0.000 16.643 ( 0.000 0.000 0.000) 0.000 18.774 ( 0.000 0.000 0.000) 0.000 18.774 ( 0.000 0.000 0.000) 0.000 22.858 ( -0.000 -0.000 0.000) 0.001 22.858 ( 0.000 0.000 0.000) 0.000 22.868 ( -0.000 -0.000 -19.959) 19.959 22.868 ( 0.000 0.000 -19.959) 19.959 22.868 ( -0.000 -0.000 19.959) 19.959 22.868 ( 0.000 0.000 19.959) 19.959 25.812 ( 0.000 0.000 0.000) 0.000 25.812 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/42240 10.0 672.148 672.148 413.686 0.000 0.000 0.000 3/42240 20.0 1336.279 1336.279 1030.662 0.000 0.000 0.000 3/42240 30.0 987.823 987.823 742.591 0.000 0.000 0.000 3/42240 40.0 632.019 632.019 506.880 0.000 0.000 0.000 3/42240 50.0 406.665 406.665 341.430 0.000 0.000 0.000 3/42240 60.0 264.409 264.409 228.692 0.000 0.000 0.000 3/42240 70.0 175.905 175.905 155.296 0.000 0.000 0.000 3/42240 80.0 121.393 121.393 108.606 0.000 0.000 0.000 3/42240 90.0 87.348 87.348 78.819 0.000 0.000 0.000 3/42240 100.0 65.453 65.453 59.421 0.000 0.000 0.000 3/42240 110.0 50.866 50.866 46.414 0.000 0.000 0.000 3/42240 120.0 40.799 40.799 37.410 0.000 0.000 0.000 3/42240 130.0 33.617 33.617 30.981 0.000 0.000 0.000 3/42240 140.0 28.337 28.337 26.255 0.000 0.000 0.000 3/42240 150.0 24.350 24.350 22.686 0.000 0.000 0.000 3/42240 160.0 21.267 21.267 19.928 0.000 0.000 0.000 3/42240 170.0 18.833 18.833 17.749 0.000 0.000 0.000 3/42240 180.0 16.876 16.876 15.994 0.000 0.000 0.000 3/42240 190.0 15.275 15.275 14.558 0.000 0.000 0.000 3/42240 200.0 13.946 13.946 13.363 0.000 0.000 0.000 3/42240 210.0 12.830 12.830 12.357 0.000 0.000 0.000 3/42240 220.0 11.880 11.880 11.499 0.000 0.000 0.000 3/42240 230.0 11.063 11.063 10.758 0.000 0.000 0.000 3/42240 240.0 10.355 10.355 10.114 0.000 0.000 0.000 3/42240 250.0 9.735 9.735 9.548 0.000 0.000 0.000 3/42240 260.0 9.188 9.188 9.046 0.000 0.000 0.000 3/42240 270.0 8.702 8.702 8.600 0.000 0.000 0.000 3/42240 280.0 8.267 8.267 8.198 0.000 0.000 0.000 3/42240 290.0 7.877 7.877 7.836 0.000 0.000 0.000 3/42240 300.0 7.523 7.523 7.508 0.000 0.000 0.000 3/42240 310.0 7.203 7.203 7.208 0.000 0.000 0.000 3/42240 320.0 6.910 6.910 6.933 0.000 0.000 0.000 3/42240 330.0 6.641 6.641 6.681 0.000 0.000 0.000 3/42240 340.0 6.395 6.395 6.447 0.000 0.000 0.000 3/42240 350.0 6.167 6.167 6.231 0.000 0.000 0.000 3/42240 360.0 5.955 5.955 6.030 0.000 0.000 0.000 3/42240 370.0 5.759 5.759 5.843 0.000 0.000 0.000 3/42240 380.0 5.577 5.577 5.668 0.000 0.000 0.000 3/42240 390.0 5.406 5.406 5.504 0.000 0.000 0.000 3/42240 400.0 5.246 5.246 5.350 0.000 0.000 0.000 3/42240 410.0 5.096 5.096 5.205 0.000 0.000 0.000 3/42240 420.0 4.955 4.955 5.068 0.000 0.000 0.000 3/42240 430.0 4.821 4.821 4.939 0.000 0.000 0.000 3/42240 440.0 4.696 4.696 4.816 0.000 0.000 0.000 3/42240 450.0 4.577 4.577 4.700 0.000 0.000 0.000 3/42240 460.0 4.464 4.464 4.590 0.000 0.000 0.000 3/42240 470.0 4.357 4.357 4.485 0.000 0.000 0.000 3/42240 480.0 4.256 4.256 4.385 0.000 0.000 0.000 3/42240 490.0 4.159 4.159 4.289 0.000 0.000 0.000 3/42240 500.0 4.067 4.067 4.198 0.000 0.000 0.000 3/42240 510.0 3.979 3.979 4.111 0.000 0.000 0.000 3/42240 520.0 3.895 3.895 4.028 0.000 0.000 0.000 3/42240 530.0 3.814 3.814 3.948 0.000 0.000 0.000 3/42240 540.0 3.737 3.737 3.871 0.000 0.000 0.000 3/42240 550.0 3.663 3.663 3.798 0.000 0.000 0.000 3/42240 560.0 3.593 3.593 3.727 0.000 0.000 0.000 3/42240 570.0 3.525 3.525 3.659 0.000 0.000 0.000 3/42240 580.0 3.459 3.459 3.593 0.000 0.000 0.000 3/42240 590.0 3.396 3.396 3.530 0.000 0.000 0.000 3/42240 600.0 3.336 3.336 3.469 0.000 0.000 0.000 3/42240 610.0 3.278 3.278 3.411 0.000 0.000 0.000 3/42240 620.0 3.221 3.221 3.354 0.000 0.000 0.000 3/42240 630.0 3.167 3.167 3.299 0.000 0.000 0.000 3/42240 640.0 3.115 3.115 3.246 0.000 0.000 0.000 3/42240 650.0 3.064 3.064 3.195 0.000 0.000 0.000 3/42240 660.0 3.015 3.015 3.146 0.000 0.000 0.000 3/42240 670.0 2.968 2.968 3.098 0.000 0.000 0.000 3/42240 680.0 2.922 2.922 3.051 0.000 0.000 0.000 3/42240 690.0 2.877 2.877 3.006 0.000 0.000 0.000 3/42240 700.0 2.834 2.834 2.962 0.000 0.000 0.000 3/42240 710.0 2.793 2.793 2.920 0.000 0.000 0.000 3/42240 720.0 2.752 2.752 2.878 0.000 0.000 0.000 3/42240 730.0 2.713 2.713 2.838 0.000 0.000 0.000 3/42240 740.0 2.675 2.675 2.799 0.000 0.000 0.000 3/42240 750.0 2.638 2.638 2.762 0.000 0.000 0.000 3/42240 760.0 2.602 2.602 2.725 0.000 0.000 0.000 3/42240 770.0 2.567 2.567 2.689 0.000 0.000 0.000 3/42240 780.0 2.533 2.533 2.654 0.000 0.000 0.000 3/42240 790.0 2.499 2.499 2.620 0.000 0.000 0.000 3/42240 800.0 2.467 2.467 2.587 0.000 0.000 0.000 3/42240 810.0 2.436 2.436 2.555 0.000 0.000 0.000 3/42240 820.0 2.405 2.405 2.523 0.000 0.000 0.000 3/42240 830.0 2.375 2.375 2.493 0.000 0.000 0.000 3/42240 840.0 2.346 2.346 2.463 0.000 0.000 0.000 3/42240 850.0 2.318 2.318 2.434 0.000 0.000 0.000 3/42240 860.0 2.290 2.290 2.405 0.000 0.000 0.000 3/42240 870.0 2.263 2.263 2.377 0.000 0.000 0.000 3/42240 880.0 2.237 2.237 2.350 0.000 0.000 0.000 3/42240 890.0 2.211 2.211 2.324 0.000 0.000 0.000 3/42240 900.0 2.186 2.186 2.298 0.000 0.000 0.000 3/42240 910.0 2.161 2.161 2.272 0.000 0.000 0.000 3/42240 920.0 2.137 2.137 2.247 0.000 0.000 0.000 3/42240 930.0 2.114 2.114 2.223 0.000 0.000 0.000 3/42240 940.0 2.091 2.091 2.199 0.000 0.000 0.000 3/42240 950.0 2.068 2.068 2.176 0.000 0.000 0.000 3/42240 960.0 2.046 2.046 2.153 0.000 0.000 0.000 3/42240 970.0 2.025 2.025 2.131 0.000 0.000 0.000 3/42240 980.0 2.004 2.004 2.109 0.000 0.000 0.000 3/42240 990.0 1.983 1.983 2.088 0.000 0.000 0.000 3/42240 1000.0 1.963 1.963 2.067 0.000 0.000 0.000 3/42240 Thermal conductivity related properties were written into "kappa-m8810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:03:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|