----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:15:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.162997499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280874060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.909619070000000 Atomic positions (fractional): *1 O 0.19842573864124 0.91346888380239 0.11962280221815 15.999 2 O 0.30157426135876 0.08653111619761 0.61962280221815 15.999 3 O 0.69842573864124 0.58653111619761 0.38037719778185 15.999 4 O 0.80157426135876 0.41346888380239 0.88037719778185 15.999 5 O 0.80157426135876 0.08653111619761 0.88037719778185 15.999 6 O 0.69842573864124 0.91346888380239 0.38037719778185 15.999 7 O 0.30157426135876 0.41346888380239 0.61962280221815 15.999 8 O 0.19842573864124 0.58653111619761 0.11962280221815 15.999 *9 O 0.14033804601952 0.75000000000000 0.72859615080330 15.999 10 O 0.35966195398048 0.25000000000000 0.22859615080330 15.999 11 O 0.64033804601952 0.75000000000000 0.77140384919670 15.999 12 O 0.85966195398048 0.25000000000000 0.27140384919670 15.999 *13 Se 0.94323434451537 0.25000000000000 0.99980454151011 78.960 14 Se 0.55676565548463 0.75000000000000 0.49980454151011 78.960 15 Se 0.44323434451537 0.25000000000000 0.50019545848989 78.960 16 Se 0.05676565548463 0.75000000000000 0.00019545848989 78.960 *17 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 18 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 19 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 20 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.162997499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280874060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.909619070000000 Atomic positions (fractional): *1 O 0.19842573864124 0.91346888380239 0.11962280221815 15.999 > 1 2 O 0.30157426135876 0.08653111619761 0.61962280221815 15.999 > 2 3 O 0.69842573864124 0.58653111619761 0.38037719778185 15.999 > 3 4 O 0.80157426135876 0.41346888380239 0.88037719778185 15.999 > 4 5 O 0.80157426135876 0.08653111619761 0.88037719778185 15.999 > 5 6 O 0.69842573864124 0.91346888380239 0.38037719778185 15.999 > 6 7 O 0.30157426135876 0.41346888380239 0.61962280221815 15.999 > 7 8 O 0.19842573864124 0.58653111619761 0.11962280221815 15.999 > 8 *9 O 0.14033804601952 0.75000000000000 0.72859615080330 15.999 > 9 10 O 0.35966195398048 0.25000000000000 0.22859615080330 15.999 > 10 11 O 0.64033804601952 0.75000000000000 0.77140384919670 15.999 > 11 12 O 0.85966195398048 0.25000000000000 0.27140384919670 15.999 > 12 *13 Se 0.94323434451537 0.25000000000000 0.99980454151011 78.960 > 13 14 Se 0.55676565548463 0.75000000000000 0.49980454151011 78.960 > 14 15 Se 0.44323434451537 0.25000000000000 0.50019545848989 78.960 > 15 16 Se 0.05676565548463 0.75000000000000 0.00019545848989 78.960 > 16 *17 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 17 18 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 18 19 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 19 20 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.325994999999997 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280874060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.819238140000000 Atomic positions (fractional): *1 O 0.09921286932062 0.91346888380239 0.05981140110908 15.999 > 1 2 O 0.59921286932062 0.91346888380239 0.05981140110908 15.999 > 1 3 O 0.09921286932062 0.91346888380239 0.55981140110908 15.999 > 1 4 O 0.59921286932062 0.91346888380239 0.55981140110908 15.999 > 1 5 O 0.15078713067938 0.08653111619761 0.30981140110908 15.999 > 2 6 O 0.65078713067938 0.08653111619761 0.30981140110908 15.999 > 2 7 O 0.15078713067938 0.08653111619761 0.80981140110908 15.999 > 2 8 O 0.65078713067938 0.08653111619761 0.80981140110908 15.999 > 2 9 O 0.34921286932062 0.58653111619761 0.19018859889092 15.999 > 3 10 O 0.84921286932062 0.58653111619761 0.19018859889092 15.999 > 3 11 O 0.34921286932062 0.58653111619761 0.69018859889092 15.999 > 3 12 O 0.84921286932062 0.58653111619761 0.69018859889092 15.999 > 3 13 O 0.40078713067938 0.41346888380239 0.44018859889092 15.999 > 4 14 O 0.90078713067938 0.41346888380239 0.44018859889092 15.999 > 4 15 O 0.40078713067938 0.41346888380239 0.94018859889092 15.999 > 4 16 O 0.90078713067938 0.41346888380239 0.94018859889092 15.999 > 4 17 O 0.40078713067938 0.08653111619761 0.44018859889092 15.999 > 5 18 O 0.90078713067938 0.08653111619761 0.44018859889092 15.999 > 5 19 O 0.40078713067938 0.08653111619761 0.94018859889092 15.999 > 5 20 O 0.90078713067938 0.08653111619761 0.94018859889092 15.999 > 5 21 O 0.34921286932062 0.91346888380239 0.19018859889092 15.999 > 6 22 O 0.84921286932062 0.91346888380239 0.19018859889092 15.999 > 6 23 O 0.34921286932062 0.91346888380239 0.69018859889092 15.999 > 6 24 O 0.84921286932062 0.91346888380239 0.69018859889092 15.999 > 6 25 O 0.15078713067938 0.41346888380239 0.30981140110908 15.999 > 7 26 O 0.65078713067938 0.41346888380239 0.30981140110908 15.999 > 7 27 O 0.15078713067938 0.41346888380239 0.80981140110908 15.999 > 7 28 O 0.65078713067938 0.41346888380239 0.80981140110908 15.999 > 7 29 O 0.09921286932062 0.58653111619761 0.05981140110908 15.999 > 8 30 O 0.59921286932062 0.58653111619761 0.05981140110908 15.999 > 8 31 O 0.09921286932062 0.58653111619761 0.55981140110908 15.999 > 8 32 O 0.59921286932062 0.58653111619761 0.55981140110908 15.999 > 8 *33 O 0.07016902300976 0.75000000000000 0.36429807540165 15.999 > 9 34 O 0.57016902300976 0.75000000000000 0.36429807540165 15.999 > 9 35 O 0.07016902300976 0.75000000000000 0.86429807540165 15.999 > 9 36 O 0.57016902300976 0.75000000000000 0.86429807540165 15.999 > 9 37 O 0.17983097699024 0.25000000000000 0.11429807540165 15.999 > 10 38 O 0.67983097699024 0.25000000000000 0.11429807540165 15.999 > 10 39 O 0.17983097699024 0.25000000000000 0.61429807540165 15.999 > 10 40 O 0.67983097699024 0.25000000000000 0.61429807540165 15.999 > 10 41 O 0.32016902300976 0.75000000000000 0.38570192459835 15.999 > 11 42 O 0.82016902300976 0.75000000000000 0.38570192459835 15.999 > 11 43 O 0.32016902300976 0.75000000000000 0.88570192459835 15.999 > 11 44 O 0.82016902300976 0.75000000000000 0.88570192459835 15.999 > 11 45 O 0.42983097699024 0.25000000000000 0.13570192459835 15.999 > 12 46 O 0.92983097699024 0.25000000000000 0.13570192459835 15.999 > 12 47 O 0.42983097699024 0.25000000000000 0.63570192459835 15.999 > 12 48 O 0.92983097699024 0.25000000000000 0.63570192459835 15.999 > 12 *49 Se 0.47161717225769 0.25000000000000 0.49990227075505 78.960 > 13 50 Se 0.97161717225769 0.25000000000000 0.49990227075505 78.960 > 13 51 Se 0.47161717225769 0.25000000000000 0.99990227075505 78.960 > 13 52 Se 0.97161717225769 0.25000000000000 0.99990227075505 78.960 > 13 53 Se 0.27838282774231 0.75000000000000 0.24990227075505 78.960 > 14 54 Se 0.77838282774231 0.75000000000000 0.24990227075505 78.960 > 14 55 Se 0.27838282774231 0.75000000000000 0.74990227075505 78.960 > 14 56 Se 0.77838282774231 0.75000000000000 0.74990227075505 78.960 > 14 57 Se 0.22161717225769 0.25000000000000 0.25009772924495 78.960 > 15 58 Se 0.72161717225769 0.25000000000000 0.25009772924495 78.960 > 15 59 Se 0.22161717225769 0.25000000000000 0.75009772924495 78.960 > 15 60 Se 0.72161717225769 0.25000000000000 0.75009772924495 78.960 > 15 61 Se 0.02838282774231 0.75000000000000 0.00009772924495 78.960 > 16 62 Se 0.52838282774231 0.75000000000000 0.00009772924495 78.960 > 16 63 Se 0.02838282774231 0.75000000000000 0.50009772924495 78.960 > 16 64 Se 0.52838282774231 0.75000000000000 0.50009772924495 78.960 > 16 *65 Hg 0.00000000000000 0.00000000000000 0.25000000000000 200.590 > 17 66 Hg 0.50000000000000 0.00000000000000 0.25000000000000 200.590 > 17 67 Hg 0.00000000000000 0.00000000000000 0.75000000000000 200.590 > 17 68 Hg 0.50000000000000 0.00000000000000 0.75000000000000 200.590 > 17 69 Hg 0.25000000000000 0.00000000000000 0.00000000000000 200.590 > 18 70 Hg 0.75000000000000 0.00000000000000 0.00000000000000 200.590 > 18 71 Hg 0.25000000000000 0.00000000000000 0.50000000000000 200.590 > 18 72 Hg 0.75000000000000 0.00000000000000 0.50000000000000 200.590 > 18 73 Hg 0.25000000000000 0.50000000000000 0.00000000000000 200.590 > 19 74 Hg 0.75000000000000 0.50000000000000 0.00000000000000 200.590 > 19 75 Hg 0.25000000000000 0.50000000000000 0.50000000000000 200.590 > 19 76 Hg 0.75000000000000 0.50000000000000 0.50000000000000 200.590 > 19 77 Hg 0.00000000000000 0.50000000000000 0.25000000000000 200.590 > 20 78 Hg 0.50000000000000 0.50000000000000 0.25000000000000 200.590 > 20 79 Hg 0.00000000000000 0.50000000000000 0.75000000000000 200.590 > 20 80 Hg 0.50000000000000 0.50000000000000 0.75000000000000 200.590 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7084930 0.0000000 0.0000000 0.0000000 5.0392622 0.0000000 0.0000000 0.0000000 4.7613687 -------------------------- Born effective charges -------------------------- 1 O -1.6078851 -0.3614528 0.0069681 -1.0960359 -2.2780052 -0.5765978 -0.1950710 -0.5880417 -1.5087168 2 O -1.6078851 -0.3614528 -0.0069681 -1.0960359 -2.2780052 0.5765978 0.1950710 0.5880417 -1.5087168 3 O -1.6078851 0.3614528 -0.0069681 1.0960359 -2.2780052 -0.5765978 0.1950710 -0.5880417 -1.5087168 4 O -1.6078851 0.3614528 0.0069681 1.0960359 -2.2780052 0.5765978 -0.1950710 0.5880417 -1.5087168 5 O -1.6078851 -0.3614528 0.0069681 -1.0960359 -2.2780052 -0.5765978 -0.1950710 -0.5880417 -1.5087168 6 O -1.6078851 -0.3614528 -0.0069681 -1.0960359 -2.2780052 0.5765978 0.1950710 0.5880417 -1.5087168 7 O -1.6078851 0.3614528 -0.0069681 1.0960359 -2.2780052 -0.5765978 0.1950710 -0.5880417 -1.5087168 8 O -1.6078851 0.3614528 0.0069681 1.0960359 -2.2780052 0.5765978 -0.1950710 0.5880417 -1.5087168 9 O -0.8504140 0.0000000 -0.5094645 0.0000000 -1.4325516 0.0000000 0.4862603 0.0000000 -2.7807837 10 O -0.8504140 0.0000000 0.5094645 0.0000000 -1.4325516 0.0000000 -0.4862603 0.0000000 -2.7807837 11 O -0.8504140 0.0000000 0.5094645 0.0000000 -1.4325516 0.0000000 -0.4862603 0.0000000 -2.7807837 12 O -0.8504140 0.0000000 -0.5094645 0.0000000 -1.4325516 0.0000000 0.4862603 0.0000000 -2.7807837 13 Se 1.4086600 0.0000000 1.0735026 0.0000000 3.5871965 0.0000000 0.3305314 0.0000000 3.2931259 14 Se 1.4086600 0.0000000 -1.0735026 0.0000000 3.5871965 0.0000000 -0.3305314 0.0000000 3.2931259 15 Se 1.4086600 0.0000000 -1.0735026 0.0000000 3.5871965 0.0000000 -0.3305314 0.0000000 3.2931259 16 Se 1.4086600 0.0000000 1.0735026 0.0000000 3.5871965 0.0000000 0.3305314 0.0000000 3.2931259 17 Hg 2.6575242 -0.0975161 0.0714551 0.4430950 2.4013655 0.1569372 -0.0838924 -0.3441018 2.5050913 18 Hg 2.6575242 -0.0975161 -0.0714551 0.4430950 2.4013655 -0.1569372 0.0838924 0.3441018 2.5050913 19 Hg 2.6575242 0.0975161 -0.0714551 -0.4430950 2.4013655 0.1569372 0.0838924 -0.3441018 2.5050913 20 Hg 2.6575242 0.0975161 0.0714551 -0.4430950 2.4013655 -0.1569372 -0.0838924 0.3441018 2.5050913 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.724 Solver_block: 200 / 320 - Time: 0.723 Solver_block: 300 / 320 - Time: 0.724 Solver_block: 320 / 320 - Time: 0.182 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.371 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), 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 23:15:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:15:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.162997499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280874060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.909619070000000 Atomic positions (fractional): 1 O 0.19842573864124 0.91346888380239 0.11962280221815 15.999 2 O 0.30157426135876 0.08653111619761 0.61962280221815 15.999 3 O 0.69842573864124 0.58653111619761 0.38037719778185 15.999 4 O 0.80157426135876 0.41346888380239 0.88037719778185 15.999 5 O 0.80157426135876 0.08653111619761 0.88037719778185 15.999 6 O 0.69842573864124 0.91346888380239 0.38037719778185 15.999 7 O 0.30157426135876 0.41346888380239 0.61962280221815 15.999 8 O 0.19842573864124 0.58653111619761 0.11962280221815 15.999 9 O 0.14033804601952 0.75000000000000 0.72859615080330 15.999 10 O 0.35966195398048 0.25000000000000 0.22859615080330 15.999 11 O 0.64033804601952 0.75000000000000 0.77140384919670 15.999 12 O 0.85966195398048 0.25000000000000 0.27140384919670 15.999 13 Se 0.94323434451537 0.25000000000000 0.99980454151011 78.960 14 Se 0.55676565548463 0.75000000000000 0.49980454151011 78.960 15 Se 0.44323434451537 0.25000000000000 0.50019545848989 78.960 16 Se 0.05676565548463 0.75000000000000 0.00019545848989 78.960 17 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 18 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 19 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 20 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.325994999999997 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280874060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.819238140000000 Atomic positions (fractional): 1 O 0.09921286932062 0.91346888380239 0.05981140110908 15.999 > 1 2 O 0.59921286932062 0.91346888380239 0.05981140110908 15.999 > 1 3 O 0.09921286932062 0.91346888380239 0.55981140110908 15.999 > 1 4 O 0.59921286932062 0.91346888380239 0.55981140110908 15.999 > 1 5 O 0.15078713067938 0.08653111619761 0.30981140110908 15.999 > 5 6 O 0.65078713067938 0.08653111619761 0.30981140110908 15.999 > 5 7 O 0.15078713067938 0.08653111619761 0.80981140110908 15.999 > 5 8 O 0.65078713067938 0.08653111619761 0.80981140110908 15.999 > 5 9 O 0.34921286932062 0.58653111619761 0.19018859889092 15.999 > 9 10 O 0.84921286932062 0.58653111619761 0.19018859889092 15.999 > 9 11 O 0.34921286932062 0.58653111619761 0.69018859889092 15.999 > 9 12 O 0.84921286932062 0.58653111619761 0.69018859889092 15.999 > 9 13 O 0.40078713067938 0.41346888380239 0.44018859889092 15.999 > 13 14 O 0.90078713067938 0.41346888380239 0.44018859889092 15.999 > 13 15 O 0.40078713067938 0.41346888380239 0.94018859889092 15.999 > 13 16 O 0.90078713067938 0.41346888380239 0.94018859889092 15.999 > 13 17 O 0.40078713067938 0.08653111619761 0.44018859889092 15.999 > 17 18 O 0.90078713067938 0.08653111619761 0.44018859889092 15.999 > 17 19 O 0.40078713067938 0.08653111619761 0.94018859889092 15.999 > 17 20 O 0.90078713067938 0.08653111619761 0.94018859889092 15.999 > 17 21 O 0.34921286932062 0.91346888380239 0.19018859889092 15.999 > 21 22 O 0.84921286932062 0.91346888380239 0.19018859889092 15.999 > 21 23 O 0.34921286932062 0.91346888380239 0.69018859889092 15.999 > 21 24 O 0.84921286932062 0.91346888380239 0.69018859889092 15.999 > 21 25 O 0.15078713067938 0.41346888380239 0.30981140110908 15.999 > 25 26 O 0.65078713067938 0.41346888380239 0.30981140110908 15.999 > 25 27 O 0.15078713067938 0.41346888380239 0.80981140110908 15.999 > 25 28 O 0.65078713067938 0.41346888380239 0.80981140110908 15.999 > 25 29 O 0.09921286932062 0.58653111619761 0.05981140110908 15.999 > 29 30 O 0.59921286932062 0.58653111619761 0.05981140110908 15.999 > 29 31 O 0.09921286932062 0.58653111619761 0.55981140110908 15.999 > 29 32 O 0.59921286932062 0.58653111619761 0.55981140110908 15.999 > 29 33 O 0.07016902300976 0.75000000000000 0.36429807540165 15.999 > 33 34 O 0.57016902300976 0.75000000000000 0.36429807540165 15.999 > 33 35 O 0.07016902300976 0.75000000000000 0.86429807540165 15.999 > 33 36 O 0.57016902300976 0.75000000000000 0.86429807540165 15.999 > 33 37 O 0.17983097699024 0.25000000000000 0.11429807540165 15.999 > 37 38 O 0.67983097699024 0.25000000000000 0.11429807540165 15.999 > 37 39 O 0.17983097699024 0.25000000000000 0.61429807540165 15.999 > 37 40 O 0.67983097699024 0.25000000000000 0.61429807540165 15.999 > 37 41 O 0.32016902300976 0.75000000000000 0.38570192459835 15.999 > 41 42 O 0.82016902300976 0.75000000000000 0.38570192459835 15.999 > 41 43 O 0.32016902300976 0.75000000000000 0.88570192459835 15.999 > 41 44 O 0.82016902300976 0.75000000000000 0.88570192459835 15.999 > 41 45 O 0.42983097699024 0.25000000000000 0.13570192459835 15.999 > 45 46 O 0.92983097699024 0.25000000000000 0.13570192459835 15.999 > 45 47 O 0.42983097699024 0.25000000000000 0.63570192459835 15.999 > 45 48 O 0.92983097699024 0.25000000000000 0.63570192459835 15.999 > 45 49 Se 0.47161717225769 0.25000000000000 0.49990227075505 78.960 > 49 50 Se 0.97161717225769 0.25000000000000 0.49990227075505 78.960 > 49 51 Se 0.47161717225769 0.25000000000000 0.99990227075505 78.960 > 49 52 Se 0.97161717225769 0.25000000000000 0.99990227075505 78.960 > 49 53 Se 0.27838282774231 0.75000000000000 0.24990227075505 78.960 > 53 54 Se 0.77838282774231 0.75000000000000 0.24990227075505 78.960 > 53 55 Se 0.27838282774231 0.75000000000000 0.74990227075505 78.960 > 53 56 Se 0.77838282774231 0.75000000000000 0.74990227075505 78.960 > 53 57 Se 0.22161717225769 0.25000000000000 0.25009772924495 78.960 > 57 58 Se 0.72161717225769 0.25000000000000 0.25009772924495 78.960 > 57 59 Se 0.22161717225769 0.25000000000000 0.75009772924495 78.960 > 57 60 Se 0.72161717225769 0.25000000000000 0.75009772924495 78.960 > 57 61 Se 0.02838282774231 0.75000000000000 0.00009772924495 78.960 > 61 62 Se 0.52838282774231 0.75000000000000 0.00009772924495 78.960 > 61 63 Se 0.02838282774231 0.75000000000000 0.50009772924495 78.960 > 61 64 Se 0.52838282774231 0.75000000000000 0.50009772924495 78.960 > 61 65 Hg 0.00000000000000 0.00000000000000 0.25000000000000 200.590 > 65 66 Hg 0.50000000000000 0.00000000000000 0.25000000000000 200.590 > 65 67 Hg 0.00000000000000 0.00000000000000 0.75000000000000 200.590 > 65 68 Hg 0.50000000000000 0.00000000000000 0.75000000000000 200.590 > 65 69 Hg 0.25000000000000 0.00000000000000 0.00000000000000 200.590 > 69 70 Hg 0.75000000000000 0.00000000000000 0.00000000000000 200.590 > 69 71 Hg 0.25000000000000 0.00000000000000 0.50000000000000 200.590 > 69 72 Hg 0.75000000000000 0.00000000000000 0.50000000000000 200.590 > 69 73 Hg 0.25000000000000 0.50000000000000 0.00000000000000 200.590 > 73 74 Hg 0.75000000000000 0.50000000000000 0.00000000000000 200.590 > 73 75 Hg 0.25000000000000 0.50000000000000 0.50000000000000 200.590 > 73 76 Hg 0.75000000000000 0.50000000000000 0.50000000000000 200.590 > 73 77 Hg 0.00000000000000 0.50000000000000 0.25000000000000 200.590 > 77 78 Hg 0.50000000000000 0.50000000000000 0.25000000000000 200.590 > 77 79 Hg 0.00000000000000 0.50000000000000 0.75000000000000 200.590 > 77 80 Hg 0.50000000000000 0.50000000000000 0.75000000000000 200.590 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7084930 0.0000000 0.0000000 0.0000000 5.0392622 0.0000000 0.0000000 0.0000000 4.7613687 -------------------------- Born effective charges -------------------------- 1 O -1.6078851 -0.3614528 0.0069681 -1.0960359 -2.2780052 -0.5765978 -0.1950710 -0.5880417 -1.5087168 2 O -1.6078851 -0.3614528 -0.0069681 -1.0960359 -2.2780052 0.5765978 0.1950710 0.5880417 -1.5087168 3 O -1.6078851 0.3614528 -0.0069681 1.0960359 -2.2780052 -0.5765978 0.1950710 -0.5880417 -1.5087168 4 O -1.6078851 0.3614528 0.0069681 1.0960359 -2.2780052 0.5765978 -0.1950710 0.5880417 -1.5087168 5 O -1.6078851 -0.3614528 0.0069681 -1.0960359 -2.2780052 -0.5765978 -0.1950710 -0.5880417 -1.5087168 6 O -1.6078851 -0.3614528 -0.0069681 -1.0960359 -2.2780052 0.5765978 0.1950710 0.5880417 -1.5087168 7 O -1.6078851 0.3614528 -0.0069681 1.0960359 -2.2780052 -0.5765978 0.1950710 -0.5880417 -1.5087168 8 O -1.6078851 0.3614528 0.0069681 1.0960359 -2.2780052 0.5765978 -0.1950710 0.5880417 -1.5087168 9 O -0.8504140 0.0000000 -0.5094645 0.0000000 -1.4325516 0.0000000 0.4862603 0.0000000 -2.7807837 10 O -0.8504140 0.0000000 0.5094645 0.0000000 -1.4325516 0.0000000 -0.4862603 0.0000000 -2.7807837 11 O -0.8504140 0.0000000 0.5094645 0.0000000 -1.4325516 0.0000000 -0.4862603 0.0000000 -2.7807837 12 O -0.8504140 0.0000000 -0.5094645 0.0000000 -1.4325516 0.0000000 0.4862603 0.0000000 -2.7807837 13 Se 1.4086600 0.0000000 1.0735026 0.0000000 3.5871965 0.0000000 0.3305314 0.0000000 3.2931259 14 Se 1.4086600 0.0000000 -1.0735026 0.0000000 3.5871965 0.0000000 -0.3305314 0.0000000 3.2931259 15 Se 1.4086600 0.0000000 -1.0735026 0.0000000 3.5871965 0.0000000 -0.3305314 0.0000000 3.2931259 16 Se 1.4086600 0.0000000 1.0735026 0.0000000 3.5871965 0.0000000 0.3305314 0.0000000 3.2931259 17 Hg 2.6575242 -0.0975161 0.0714551 0.4430950 2.4013655 0.1569372 -0.0838924 -0.3441018 2.5050913 18 Hg 2.6575242 -0.0975161 -0.0714551 0.4430950 2.4013655 -0.1569372 0.0838924 0.3441018 2.5050913 19 Hg 2.6575242 0.0975161 -0.0714551 -0.4430950 2.4013655 0.1569372 0.0838924 -0.3441018 2.5050913 20 Hg 2.6575242 0.0975161 0.0714551 -0.4430950 2.4013655 -0.1569372 -0.0838924 0.3441018 2.5050913 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 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: -0.00000014 (xxx) -0.00000014 (xxx) -0.00000014 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (yz) -0.00000005 (yz) 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 23:15:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:15:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.162997499999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280874060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.909619070000000 Atomic positions (fractional): 1 O 0.19842573864124 0.91346888380239 0.11962280221815 15.999 2 O 0.30157426135876 0.08653111619761 0.61962280221815 15.999 3 O 0.69842573864124 0.58653111619761 0.38037719778185 15.999 4 O 0.80157426135876 0.41346888380239 0.88037719778185 15.999 5 O 0.80157426135876 0.08653111619761 0.88037719778185 15.999 6 O 0.69842573864124 0.91346888380239 0.38037719778185 15.999 7 O 0.30157426135876 0.41346888380239 0.61962280221815 15.999 8 O 0.19842573864124 0.58653111619761 0.11962280221815 15.999 9 O 0.14033804601952 0.75000000000000 0.72859615080330 15.999 10 O 0.35966195398048 0.25000000000000 0.22859615080330 15.999 11 O 0.64033804601952 0.75000000000000 0.77140384919670 15.999 12 O 0.85966195398048 0.25000000000000 0.27140384919670 15.999 13 Se 0.94323434451537 0.25000000000000 0.99980454151011 78.960 14 Se 0.55676565548463 0.75000000000000 0.49980454151011 78.960 15 Se 0.44323434451537 0.25000000000000 0.50019545848989 78.960 16 Se 0.05676565548463 0.75000000000000 0.00019545848989 78.960 17 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 18 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 19 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 20 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.325994999999997 0.000000000000000 0.000000000000000 b 0.000000000000000 8.280874060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.819238140000000 Atomic positions (fractional): 1 O 0.09921286932062 0.91346888380239 0.05981140110908 15.999 > 1 2 O 0.59921286932062 0.91346888380239 0.05981140110908 15.999 > 1 3 O 0.09921286932062 0.91346888380239 0.55981140110908 15.999 > 1 4 O 0.59921286932062 0.91346888380239 0.55981140110908 15.999 > 1 5 O 0.15078713067938 0.08653111619761 0.30981140110908 15.999 > 5 6 O 0.65078713067938 0.08653111619761 0.30981140110908 15.999 > 5 7 O 0.15078713067938 0.08653111619761 0.80981140110908 15.999 > 5 8 O 0.65078713067938 0.08653111619761 0.80981140110908 15.999 > 5 9 O 0.34921286932062 0.58653111619761 0.19018859889092 15.999 > 9 10 O 0.84921286932062 0.58653111619761 0.19018859889092 15.999 > 9 11 O 0.34921286932062 0.58653111619761 0.69018859889092 15.999 > 9 12 O 0.84921286932062 0.58653111619761 0.69018859889092 15.999 > 9 13 O 0.40078713067938 0.41346888380239 0.44018859889092 15.999 > 13 14 O 0.90078713067938 0.41346888380239 0.44018859889092 15.999 > 13 15 O 0.40078713067938 0.41346888380239 0.94018859889092 15.999 > 13 16 O 0.90078713067938 0.41346888380239 0.94018859889092 15.999 > 13 17 O 0.40078713067938 0.08653111619761 0.44018859889092 15.999 > 17 18 O 0.90078713067938 0.08653111619761 0.44018859889092 15.999 > 17 19 O 0.40078713067938 0.08653111619761 0.94018859889092 15.999 > 17 20 O 0.90078713067938 0.08653111619761 0.94018859889092 15.999 > 17 21 O 0.34921286932062 0.91346888380239 0.19018859889092 15.999 > 21 22 O 0.84921286932062 0.91346888380239 0.19018859889092 15.999 > 21 23 O 0.34921286932062 0.91346888380239 0.69018859889092 15.999 > 21 24 O 0.84921286932062 0.91346888380239 0.69018859889092 15.999 > 21 25 O 0.15078713067938 0.41346888380239 0.30981140110908 15.999 > 25 26 O 0.65078713067938 0.41346888380239 0.30981140110908 15.999 > 25 27 O 0.15078713067938 0.41346888380239 0.80981140110908 15.999 > 25 28 O 0.65078713067938 0.41346888380239 0.80981140110908 15.999 > 25 29 O 0.09921286932062 0.58653111619761 0.05981140110908 15.999 > 29 30 O 0.59921286932062 0.58653111619761 0.05981140110908 15.999 > 29 31 O 0.09921286932062 0.58653111619761 0.55981140110908 15.999 > 29 32 O 0.59921286932062 0.58653111619761 0.55981140110908 15.999 > 29 33 O 0.07016902300976 0.75000000000000 0.36429807540165 15.999 > 33 34 O 0.57016902300976 0.75000000000000 0.36429807540165 15.999 > 33 35 O 0.07016902300976 0.75000000000000 0.86429807540165 15.999 > 33 36 O 0.57016902300976 0.75000000000000 0.86429807540165 15.999 > 33 37 O 0.17983097699024 0.25000000000000 0.11429807540165 15.999 > 37 38 O 0.67983097699024 0.25000000000000 0.11429807540165 15.999 > 37 39 O 0.17983097699024 0.25000000000000 0.61429807540165 15.999 > 37 40 O 0.67983097699024 0.25000000000000 0.61429807540165 15.999 > 37 41 O 0.32016902300976 0.75000000000000 0.38570192459835 15.999 > 41 42 O 0.82016902300976 0.75000000000000 0.38570192459835 15.999 > 41 43 O 0.32016902300976 0.75000000000000 0.88570192459835 15.999 > 41 44 O 0.82016902300976 0.75000000000000 0.88570192459835 15.999 > 41 45 O 0.42983097699024 0.25000000000000 0.13570192459835 15.999 > 45 46 O 0.92983097699024 0.25000000000000 0.13570192459835 15.999 > 45 47 O 0.42983097699024 0.25000000000000 0.63570192459835 15.999 > 45 48 O 0.92983097699024 0.25000000000000 0.63570192459835 15.999 > 45 49 Se 0.47161717225769 0.25000000000000 0.49990227075505 78.960 > 49 50 Se 0.97161717225769 0.25000000000000 0.49990227075505 78.960 > 49 51 Se 0.47161717225769 0.25000000000000 0.99990227075505 78.960 > 49 52 Se 0.97161717225769 0.25000000000000 0.99990227075505 78.960 > 49 53 Se 0.27838282774231 0.75000000000000 0.24990227075505 78.960 > 53 54 Se 0.77838282774231 0.75000000000000 0.24990227075505 78.960 > 53 55 Se 0.27838282774231 0.75000000000000 0.74990227075505 78.960 > 53 56 Se 0.77838282774231 0.75000000000000 0.74990227075505 78.960 > 53 57 Se 0.22161717225769 0.25000000000000 0.25009772924495 78.960 > 57 58 Se 0.72161717225769 0.25000000000000 0.25009772924495 78.960 > 57 59 Se 0.22161717225769 0.25000000000000 0.75009772924495 78.960 > 57 60 Se 0.72161717225769 0.25000000000000 0.75009772924495 78.960 > 57 61 Se 0.02838282774231 0.75000000000000 0.00009772924495 78.960 > 61 62 Se 0.52838282774231 0.75000000000000 0.00009772924495 78.960 > 61 63 Se 0.02838282774231 0.75000000000000 0.50009772924495 78.960 > 61 64 Se 0.52838282774231 0.75000000000000 0.50009772924495 78.960 > 61 65 Hg 0.00000000000000 0.00000000000000 0.25000000000000 200.590 > 65 66 Hg 0.50000000000000 0.00000000000000 0.25000000000000 200.590 > 65 67 Hg 0.00000000000000 0.00000000000000 0.75000000000000 200.590 > 65 68 Hg 0.50000000000000 0.00000000000000 0.75000000000000 200.590 > 65 69 Hg 0.25000000000000 0.00000000000000 0.00000000000000 200.590 > 69 70 Hg 0.75000000000000 0.00000000000000 0.00000000000000 200.590 > 69 71 Hg 0.25000000000000 0.00000000000000 0.50000000000000 200.590 > 69 72 Hg 0.75000000000000 0.00000000000000 0.50000000000000 200.590 > 69 73 Hg 0.25000000000000 0.50000000000000 0.00000000000000 200.590 > 73 74 Hg 0.75000000000000 0.50000000000000 0.00000000000000 200.590 > 73 75 Hg 0.25000000000000 0.50000000000000 0.50000000000000 200.590 > 73 76 Hg 0.75000000000000 0.50000000000000 0.50000000000000 200.590 > 73 77 Hg 0.00000000000000 0.50000000000000 0.25000000000000 200.590 > 77 78 Hg 0.50000000000000 0.50000000000000 0.25000000000000 200.590 > 77 79 Hg 0.00000000000000 0.50000000000000 0.75000000000000 200.590 > 77 80 Hg 0.50000000000000 0.50000000000000 0.75000000000000 200.590 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7084930 0.0000000 0.0000000 0.0000000 5.0392622 0.0000000 0.0000000 0.0000000 4.7613687 -------------------------- Born effective charges -------------------------- 1 O -1.6078851 -0.3614528 0.0069681 -1.0960359 -2.2780052 -0.5765978 -0.1950710 -0.5880417 -1.5087168 2 O -1.6078851 -0.3614528 -0.0069681 -1.0960359 -2.2780052 0.5765978 0.1950710 0.5880417 -1.5087168 3 O -1.6078851 0.3614528 -0.0069681 1.0960359 -2.2780052 -0.5765978 0.1950710 -0.5880417 -1.5087168 4 O -1.6078851 0.3614528 0.0069681 1.0960359 -2.2780052 0.5765978 -0.1950710 0.5880417 -1.5087168 5 O -1.6078851 -0.3614528 0.0069681 -1.0960359 -2.2780052 -0.5765978 -0.1950710 -0.5880417 -1.5087168 6 O -1.6078851 -0.3614528 -0.0069681 -1.0960359 -2.2780052 0.5765978 0.1950710 0.5880417 -1.5087168 7 O -1.6078851 0.3614528 -0.0069681 1.0960359 -2.2780052 -0.5765978 0.1950710 -0.5880417 -1.5087168 8 O -1.6078851 0.3614528 0.0069681 1.0960359 -2.2780052 0.5765978 -0.1950710 0.5880417 -1.5087168 9 O -0.8504140 0.0000000 -0.5094645 0.0000000 -1.4325516 0.0000000 0.4862603 0.0000000 -2.7807837 10 O -0.8504140 0.0000000 0.5094645 0.0000000 -1.4325516 0.0000000 -0.4862603 0.0000000 -2.7807837 11 O -0.8504140 0.0000000 0.5094645 0.0000000 -1.4325516 0.0000000 -0.4862603 0.0000000 -2.7807837 12 O -0.8504140 0.0000000 -0.5094645 0.0000000 -1.4325516 0.0000000 0.4862603 0.0000000 -2.7807837 13 Se 1.4086600 0.0000000 1.0735026 0.0000000 3.5871965 0.0000000 0.3305314 0.0000000 3.2931259 14 Se 1.4086600 0.0000000 -1.0735026 0.0000000 3.5871965 0.0000000 -0.3305314 0.0000000 3.2931259 15 Se 1.4086600 0.0000000 -1.0735026 0.0000000 3.5871965 0.0000000 -0.3305314 0.0000000 3.2931259 16 Se 1.4086600 0.0000000 1.0735026 0.0000000 3.5871965 0.0000000 0.3305314 0.0000000 3.2931259 17 Hg 2.6575242 -0.0975161 0.0714551 0.4430950 2.4013655 0.1569372 -0.0838924 -0.3441018 2.5050913 18 Hg 2.6575242 -0.0975161 -0.0714551 0.4430950 2.4013655 -0.1569372 0.0838924 0.3441018 2.5050913 19 Hg 2.6575242 0.0975161 -0.0714551 -0.4430950 2.4013655 0.1569372 0.0838924 -0.3441018 2.5050913 20 Hg 2.6575242 0.0975161 0.0714551 -0.4430950 2.4013655 -0.1569372 -0.0838924 0.3441018 2.5050913 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000014 (xxx) -0.00000014 (xxx) -0.00000014 (xxx) 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 6 8 ] 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: 0.62, Number of G-points: 307, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.080 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.422 ( 0.000 0.000 0.000) 0.000 1.484 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 6.698 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 8.079 ( 0.000 0.000 0.000) 0.000 8.510 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 8.909 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 12.397 ( 0.000 0.000 0.000) 0.000 12.760 ( 0.000 0.000 0.000) 0.000 12.793 ( 0.000 0.000 0.000) 0.000 13.347 ( 0.000 0.000 0.000) 0.000 13.782 ( 0.000 0.000 0.000) 0.000 13.965 ( 0.000 0.000 0.000) 0.000 14.348 ( 0.000 0.000 0.000) 0.000 18.016 ( 0.000 0.000 0.000) 0.000 18.585 ( 0.000 0.000 0.000) 0.000 19.045 ( 0.000 0.000 0.000) 0.000 19.409 ( 0.000 0.000 0.000) 0.000 20.198 ( 0.000 0.000 0.000) 0.000 20.278 ( 0.000 0.000 0.000) 0.000 20.330 ( 0.000 0.000 0.000) 0.000 21.140 ( 0.000 0.000 0.000) 0.000 23.395 ( 0.000 0.000 0.000) 0.000 23.404 ( 0.000 0.000 0.000) 0.000 23.821 ( 0.000 0.000 0.000) 0.000 23.830 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( 9.379 0.000 0.000) 9.379 0.310 ( 15.109 0.000 0.000) 15.109 0.579 ( 27.280 0.000 0.000) 27.280 1.069 ( -0.610 0.000 0.000) 0.610 1.144 ( -3.074 0.000 0.000) 3.074 1.439 ( 1.383 0.000 0.000) 1.383 1.505 ( 1.956 0.000 0.000) 1.956 1.539 ( -10.116 0.000 0.000) 10.116 1.572 ( -3.163 0.000 0.000) 3.163 1.751 ( -0.664 0.000 0.000) 0.664 1.893 ( 0.053 0.000 0.000) 0.053 1.965 ( 9.017 0.000 0.000) 9.017 2.183 ( -2.878 0.000 0.000) 2.878 2.388 ( -8.462 0.000 0.000) 8.462 2.622 ( -14.736 0.000 0.000) 14.736 2.626 ( 0.121 0.000 0.000) 0.121 2.813 ( 5.757 0.000 0.000) 5.757 2.813 ( 9.026 0.000 0.000) 9.026 3.174 ( 7.803 0.000 0.000) 7.803 3.255 ( 1.001 0.000 0.000) 1.001 3.630 ( -1.649 0.000 0.000) 1.649 3.833 ( -2.852 0.000 0.000) 2.852 4.190 ( 4.268 0.000 0.000) 4.268 4.267 ( 4.415 0.000 0.000) 4.415 4.269 ( 2.458 0.000 0.000) 2.458 4.550 ( -0.965 0.000 0.000) 0.965 5.011 ( -7.102 0.000 0.000) 7.102 5.294 ( -2.725 0.000 0.000) 2.725 6.751 ( 5.003 0.000 0.000) 5.003 7.347 ( 2.191 0.000 0.000) 2.191 7.862 ( 4.205 0.000 0.000) 4.205 8.010 ( -6.490 0.000 0.000) 6.490 8.512 ( 0.166 0.000 0.000) 0.166 8.560 ( -10.617 0.000 0.000) 10.617 8.865 ( -3.876 0.000 0.000) 3.876 8.944 ( 7.397 0.000 0.000) 7.397 9.130 ( 0.381 0.000 0.000) 0.381 9.245 ( 6.487 0.000 0.000) 6.487 9.279 ( 2.121 0.000 0.000) 2.121 9.384 ( -3.943 0.000 0.000) 3.943 11.541 ( 1.405 0.000 0.000) 1.405 12.301 ( -7.919 0.000 0.000) 7.919 12.817 ( 5.349 0.000 0.000) 5.349 12.871 ( 6.143 0.000 0.000) 6.143 13.337 ( -1.042 0.000 0.000) 1.042 13.715 ( -5.123 0.000 0.000) 5.123 14.039 ( 5.824 0.000 0.000) 5.824 14.834 ( -2.886 0.000 0.000) 2.886 18.035 ( 1.919 0.000 0.000) 1.919 18.569 ( -1.623 0.000 0.000) 1.623 19.078 ( 3.280 0.000 0.000) 3.280 19.446 ( 3.629 0.000 0.000) 3.629 20.220 ( -0.666 0.000 0.000) 0.666 20.256 ( -7.041 0.000 0.000) 7.041 20.298 ( 4.617 0.000 0.000) 4.617 21.817 ( -6.358 0.000 0.000) 6.358 23.426 ( 2.066 0.000 0.000) 2.066 23.464 ( 1.073 0.000 0.000) 1.073 23.779 ( -2.714 0.000 0.000) 2.714 23.844 ( 0.026 0.000 0.000) 0.026 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 7.865 0.000 0.000) 7.865 0.609 ( 14.348 0.000 0.000) 14.348 1.055 ( -5.902 0.000 0.000) 5.902 1.079 ( 21.283 0.000 0.000) 21.283 1.088 ( 3.351 0.000 0.000) 3.351 1.343 ( -6.596 0.000 0.000) 6.596 1.480 ( -5.896 0.000 0.000) 5.896 1.495 ( 2.794 0.000 0.000) 2.794 1.552 ( 2.306 0.000 0.000) 2.306 1.730 ( -1.449 0.000 0.000) 1.449 1.903 ( 1.100 0.000 0.000) 1.100 2.045 ( -7.059 0.000 0.000) 7.059 2.107 ( -4.248 0.000 0.000) 4.248 2.267 ( 3.340 0.000 0.000) 3.340 2.303 ( -16.926 0.000 0.000) 16.926 2.646 ( 1.968 0.000 0.000) 1.968 2.948 ( 7.745 0.000 0.000) 7.745 2.956 ( 1.668 0.000 0.000) 1.668 3.164 ( -8.585 0.000 0.000) 8.585 3.371 ( 10.815 0.000 0.000) 10.815 3.585 ( -1.638 0.000 0.000) 1.638 3.887 ( 8.609 0.000 0.000) 8.609 4.321 ( 8.705 0.000 0.000) 8.705 4.330 ( 3.397 0.000 0.000) 3.397 4.360 ( 3.802 0.000 0.000) 3.802 4.522 ( -1.681 0.000 0.000) 1.681 4.806 ( -12.770 0.000 0.000) 12.770 5.203 ( -6.318 0.000 0.000) 6.318 6.891 ( 8.547 0.000 0.000) 8.547 7.423 ( 5.403 0.000 0.000) 5.403 7.831 ( -10.767 0.000 0.000) 10.767 7.999 ( 9.490 0.000 0.000) 9.490 8.309 ( -13.431 0.000 0.000) 13.431 8.519 ( 0.640 0.000 0.000) 0.640 8.771 ( -5.057 0.000 0.000) 5.057 9.077 ( -7.138 0.000 0.000) 7.138 9.129 ( 9.875 0.000 0.000) 9.875 9.320 ( -0.910 0.000 0.000) 0.910 9.323 ( 1.994 0.000 0.000) 1.994 9.371 ( 5.261 0.000 0.000) 5.261 11.586 ( 3.044 0.000 0.000) 3.044 12.122 ( -9.170 0.000 0.000) 9.170 12.962 ( 8.536 0.000 0.000) 8.536 12.999 ( 6.069 0.000 0.000) 6.069 13.306 ( -1.967 0.000 0.000) 1.967 13.602 ( -5.961 0.000 0.000) 5.961 14.172 ( 7.053 0.000 0.000) 7.053 14.750 ( -5.289 0.000 0.000) 5.289 18.096 ( 4.027 0.000 0.000) 4.027 18.519 ( -3.348 0.000 0.000) 3.348 19.176 ( 6.277 0.000 0.000) 6.277 19.551 ( 6.524 0.000 0.000) 6.524 20.060 ( -11.806 0.000 0.000) 11.806 20.155 ( -4.928 0.000 0.000) 4.928 20.473 ( 11.516 0.000 0.000) 11.516 21.633 ( -11.494 0.000 0.000) 11.494 23.479 ( 2.693 0.000 0.000) 2.693 23.503 ( 3.129 0.000 0.000) 3.129 23.719 ( -3.192 0.000 0.000) 3.192 23.825 ( -1.847 0.000 0.000) 1.847 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 7.783 0.000 0.000) 7.783 0.887 ( 12.952 0.000 0.000) 12.952 0.895 ( -9.431 0.000 0.000) 9.431 1.223 ( 9.824 0.000 0.000) 9.824 1.323 ( -7.281 0.000 0.000) 7.281 1.327 ( 5.698 0.000 0.000) 5.698 1.430 ( 10.690 0.000 0.000) 10.690 1.554 ( 2.648 0.000 0.000) 2.648 1.586 ( 0.850 0.000 0.000) 0.850 1.692 ( -2.242 0.000 0.000) 2.242 1.791 ( -14.112 0.000 0.000) 14.112 1.934 ( -19.084 0.000 0.000) 19.084 1.936 ( 1.961 0.000 0.000) 1.961 2.026 ( -3.380 0.000 0.000) 3.380 2.440 ( 10.562 0.000 0.000) 10.562 2.707 ( 4.032 0.000 0.000) 4.032 2.911 ( -4.552 0.000 0.000) 4.552 2.925 ( -13.059 0.000 0.000) 13.059 3.116 ( 8.563 0.000 0.000) 8.563 3.425 ( -5.245 0.000 0.000) 5.245 3.769 ( 17.689 0.000 0.000) 17.689 4.101 ( 10.797 0.000 0.000) 10.797 4.385 ( -1.985 0.000 0.000) 1.985 4.401 ( 3.454 0.000 0.000) 3.454 4.492 ( -1.062 0.000 0.000) 1.062 4.505 ( -16.668 0.000 0.000) 16.668 4.538 ( 12.332 0.000 0.000) 12.332 5.036 ( -10.132 0.000 0.000) 10.132 7.090 ( 10.944 0.000 0.000) 10.944 7.567 ( 8.824 0.000 0.000) 8.824 7.589 ( -12.695 0.000 0.000) 12.695 8.033 ( -13.392 0.000 0.000) 13.392 8.242 ( 14.058 0.000 0.000) 14.058 8.542 ( 1.703 0.000 0.000) 1.703 8.671 ( -4.546 0.000 0.000) 4.546 8.854 ( -13.773 0.000 0.000) 13.773 9.313 ( 7.691 0.000 0.000) 7.691 9.335 ( 1.369 0.000 0.000) 1.369 9.353 ( 0.837 0.000 0.000) 0.837 9.442 ( 1.510 0.000 0.000) 1.510 11.667 ( 4.944 0.000 0.000) 4.944 11.942 ( -8.392 0.000 0.000) 8.392 13.109 ( 4.760 0.000 0.000) 4.760 13.145 ( 9.119 0.000 0.000) 9.119 13.258 ( -2.765 0.000 0.000) 2.765 13.473 ( -6.832 0.000 0.000) 6.832 14.321 ( 7.585 0.000 0.000) 7.585 14.625 ( -6.892 0.000 0.000) 6.892 18.196 ( 5.728 0.000 0.000) 5.728 18.433 ( -5.043 0.000 0.000) 5.043 19.332 ( 9.111 0.000 0.000) 9.111 19.702 ( 8.160 0.000 0.000) 8.160 19.801 ( -13.188 0.000 0.000) 13.188 20.031 ( -7.140 0.000 0.000) 7.140 20.742 ( 14.697 0.000 0.000) 14.697 21.365 ( -14.632 0.000 0.000) 14.632 23.531 ( 2.663 0.000 0.000) 2.663 23.587 ( 4.773 0.000 0.000) 4.773 23.653 ( -3.235 0.000 0.000) 3.235 23.770 ( -3.562 0.000 0.000) 3.562 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -9.209 0.000 0.000) 9.209 0.701 ( 9.209 0.000 0.000) 9.209 1.130 ( -10.900 0.000 0.000) 10.900 1.130 ( 10.900 0.000 0.000) 10.900 1.460 ( -11.291 0.000 0.000) 11.291 1.460 ( 11.291 0.000 0.000) 11.291 1.567 ( -14.680 0.000 0.000) 14.680 1.567 ( 14.680 0.000 0.000) 14.680 1.571 ( -3.073 0.000 0.000) 3.073 1.571 ( 3.073 0.000 0.000) 3.073 1.646 ( -1.797 0.000 0.000) 1.797 1.646 ( 1.797 0.000 0.000) 1.797 1.975 ( -1.898 0.000 0.000) 1.898 1.975 ( 1.898 0.000 0.000) 1.898 2.669 ( -11.993 0.000 0.000) 11.993 2.669 ( 11.993 0.000 0.000) 11.993 2.805 ( -5.376 0.000 0.000) 5.376 2.805 ( 5.376 0.000 0.000) 5.376 3.285 ( -7.899 0.000 0.000) 7.899 3.285 ( 7.899 0.000 0.000) 7.899 4.144 ( -18.525 0.000 0.000) 18.525 4.144 ( 18.525 0.000 0.000) 18.525 4.288 ( -7.200 0.000 0.000) 7.200 4.288 ( 7.200 0.000 0.000) 7.200 4.462 ( -2.309 0.000 0.000) 2.309 4.462 ( 2.309 0.000 0.000) 2.309 4.800 ( -12.803 0.000 0.000) 12.803 4.800 ( 12.803 0.000 0.000) 12.803 7.330 ( -12.562 0.000 0.000) 12.562 7.330 ( 12.562 0.000 0.000) 12.562 7.777 ( -11.668 0.000 0.000) 11.668 7.777 ( 11.668 0.000 0.000) 11.668 8.548 ( -15.066 0.000 0.000) 15.066 8.548 ( 15.066 0.000 0.000) 15.066 8.593 ( -2.610 0.000 0.000) 2.610 8.593 ( 2.610 0.000 0.000) 2.610 9.356 ( -0.534 0.000 0.000) 0.534 9.356 ( 0.534 0.000 0.000) 0.534 9.425 ( -3.229 0.000 0.000) 3.229 9.425 ( 3.229 0.000 0.000) 3.229 11.787 ( -6.846 0.000 0.000) 6.846 11.787 ( 6.846 0.000 0.000) 6.846 13.194 ( -3.613 0.000 0.000) 3.613 13.194 ( 3.613 0.000 0.000) 3.613 13.321 ( -8.121 0.000 0.000) 8.121 13.321 ( 8.121 0.000 0.000) 8.121 14.476 ( -7.611 0.000 0.000) 7.611 14.476 ( 7.611 0.000 0.000) 7.611 18.319 ( -6.095 0.000 0.000) 6.095 18.319 ( 6.095 0.000 0.000) 6.095 19.544 ( -11.761 0.000 0.000) 11.761 19.544 ( 11.761 0.000 0.000) 11.761 19.872 ( -8.327 0.000 0.000) 8.327 19.872 ( 8.327 0.000 0.000) 8.327 21.054 ( -15.675 0.000 0.000) 15.675 21.054 ( 15.675 0.000 0.000) 15.675 23.589 ( -3.032 0.000 0.000) 3.032 23.589 ( 3.032 0.000 0.000) 3.032 23.685 ( -4.670 0.000 0.000) 4.670 23.685 ( 4.670 0.000 0.000) 4.670 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.145 ( 0.000 7.548 0.000) 7.548 0.282 ( 0.000 16.366 0.000) 16.366 0.499 ( 0.000 23.055 0.000) 23.055 1.009 ( 0.000 -6.486 0.000) 6.486 1.267 ( 0.000 7.546 0.000) 7.546 1.374 ( 0.000 -4.488 0.000) 4.488 1.461 ( 0.000 -0.726 0.000) 0.726 1.588 ( 0.000 0.532 0.000) 0.532 1.694 ( 0.000 -2.197 0.000) 2.197 1.743 ( 0.000 -1.881 0.000) 1.881 1.852 ( 0.000 -2.469 0.000) 2.469 2.083 ( 0.000 21.563 0.000) 21.563 2.095 ( 0.000 -8.592 0.000) 8.592 2.536 ( 0.000 4.339 0.000) 4.339 2.652 ( 0.000 2.892 0.000) 2.892 2.783 ( 0.000 4.012 0.000) 4.012 2.796 ( 0.000 8.399 0.000) 8.399 3.053 ( 0.000 5.870 0.000) 5.870 3.279 ( 0.000 2.439 0.000) 2.439 3.454 ( 0.000 -1.165 0.000) 1.165 3.633 ( 0.000 -2.508 0.000) 2.508 3.797 ( 0.000 -1.266 0.000) 1.266 4.125 ( 0.000 -8.811 0.000) 8.811 4.154 ( 0.000 -1.178 0.000) 1.178 4.244 ( 0.000 0.081 0.000) 0.081 4.398 ( 0.000 -14.417 0.000) 14.417 5.145 ( 0.000 4.554 0.000) 4.554 5.317 ( 0.000 -0.273 0.000) 0.273 6.730 ( 0.000 3.099 0.000) 3.099 7.254 ( 0.000 -6.214 0.000) 6.214 7.904 ( 0.000 9.062 0.000) 9.062 8.154 ( 0.000 7.180 0.000) 7.180 8.531 ( 0.000 1.810 0.000) 1.810 8.715 ( 0.000 2.778 0.000) 2.778 8.854 ( 0.000 -5.509 0.000) 5.509 9.059 ( 0.000 2.492 0.000) 2.492 9.116 ( 0.000 -0.279 0.000) 0.279 9.124 ( 0.000 -3.643 0.000) 3.643 9.381 ( 0.000 -4.529 0.000) 4.529 9.465 ( 0.000 -4.475 0.000) 4.475 11.585 ( 0.000 5.641 0.000) 5.641 12.427 ( 0.000 2.835 0.000) 2.835 12.590 ( 0.000 -13.706 0.000) 13.706 12.769 ( 0.000 -2.314 0.000) 2.314 13.509 ( 0.000 12.416 0.000) 12.416 13.794 ( 0.000 1.123 0.000) 1.123 13.952 ( 0.000 -1.220 0.000) 1.220 14.309 ( 0.000 -3.845 0.000) 3.845 18.065 ( 0.000 4.832 0.000) 4.832 18.939 ( 0.000 -9.664 0.000) 9.664 19.466 ( 0.000 5.553 0.000) 5.553 20.240 ( 0.000 3.546 0.000) 3.546 20.256 ( 0.000 -6.957 0.000) 6.957 20.293 ( 0.000 1.329 0.000) 1.329 21.174 ( 0.000 3.120 0.000) 3.120 21.432 ( 0.000 -1.377 0.000) 1.377 23.396 ( 0.000 0.067 0.000) 0.067 23.404 ( 0.000 -0.047 0.000) 0.047 23.818 ( 0.000 -0.230 0.000) 0.230 23.825 ( 0.000 -0.401 0.000) 0.401 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 10.482 10.652 0.000) 14.945 0.538 ( 5.001 20.312 0.000) 20.919 0.592 ( 24.359 2.785 0.000) 24.518 1.038 ( 2.953 -2.807 0.000) 4.074 1.242 ( -2.351 8.123 0.000) 8.457 1.394 ( 1.906 -4.209 0.000) 4.621 1.470 ( 0.205 -0.667 0.000) 0.698 1.562 ( -2.591 0.361 0.000) 2.616 1.631 ( -4.309 2.544 0.000) 5.004 1.734 ( -0.748 -1.745 0.000) 1.899 1.860 ( 0.408 -2.998 0.000) 3.026 2.072 ( -2.288 -8.500 0.000) 8.803 2.143 ( 4.843 17.809 0.000) 18.456 2.443 ( -8.003 4.800 0.000) 9.332 2.648 ( 0.088 2.413 0.000) 2.415 2.837 ( 4.055 6.563 0.000) 7.714 2.846 ( 5.319 4.312 0.000) 6.847 2.946 ( -16.254 13.685 0.000) 21.247 3.264 ( 1.389 2.624 0.000) 2.969 3.366 ( 3.919 5.308 0.000) 6.598 3.592 ( -2.206 -3.111 0.000) 3.814 3.873 ( -8.489 5.208 0.000) 9.959 4.068 ( 7.310 -8.666 0.000) 11.337 4.168 ( 3.735 -9.507 0.000) 10.214 4.280 ( 1.544 0.237 0.000) 1.562 4.388 ( -0.993 -14.267 0.000) 14.301 5.078 ( -6.408 5.002 0.000) 8.129 5.289 ( -2.967 -0.510 0.000) 3.010 6.768 ( 4.245 2.276 0.000) 4.816 7.320 ( 3.925 -5.452 0.000) 6.718 7.976 ( 5.439 9.641 0.000) 11.069 8.075 ( -7.360 6.098 0.000) 9.558 8.486 ( -6.730 -1.043 0.000) 6.810 8.643 ( -3.050 6.315 0.000) 7.013 8.808 ( -1.607 -4.926 0.000) 5.181 8.996 ( -2.916 4.037 0.000) 4.980 9.124 ( 0.194 -0.541 0.000) 0.575 9.213 ( 6.741 -3.172 0.000) 7.450 9.340 ( -3.560 -4.085 0.000) 5.419 9.401 ( -1.680 3.263 0.000) 3.670 11.608 ( 1.828 6.063 0.000) 6.332 12.338 ( -7.395 3.527 0.000) 8.193 12.633 ( 4.060 -14.364 0.000) 14.927 12.827 ( 4.369 -4.116 0.000) 6.002 13.508 ( 0.045 13.089 0.000) 13.089 13.743 ( -3.650 2.620 0.000) 4.493 14.021 ( 5.415 -1.792 0.000) 5.704 14.489 ( 9.562 -15.563 0.000) 18.265 18.089 ( 2.434 5.321 0.000) 5.851 18.980 ( 3.929 -9.133 0.000) 9.942 19.477 ( -2.081 7.670 0.000) 7.948 19.834 ( -47.649 51.773 0.000) 70.363 20.248 ( -1.326 2.452 0.000) 2.788 20.249 ( -11.597 4.263 0.000) 12.356 20.316 ( 4.355 1.613 0.000) 4.644 21.660 ( -2.321 -12.424 0.000) 12.639 23.421 ( 2.035 -0.413 0.000) 2.077 23.443 ( 2.415 -1.043 0.000) 2.630 23.781 ( -2.504 0.131 0.000) 2.507 23.836 ( -0.125 -0.706 0.000) 0.717 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 4.992 19.085 0.000) 19.727 0.646 ( 12.062 5.646 0.000) 13.318 1.039 ( 16.034 -1.342 0.000) 16.090 1.156 ( 10.927 4.224 0.000) 11.715 1.176 ( -4.152 9.611 0.000) 10.470 1.426 ( -1.074 3.115 0.000) 3.294 1.459 ( 1.959 -2.874 0.000) 3.478 1.482 ( -5.292 0.906 0.000) 5.369 1.595 ( 0.724 3.771 0.000) 3.840 1.711 ( -1.573 -1.852 0.000) 2.430 1.870 ( 0.661 -3.231 0.000) 3.298 2.005 ( -4.173 -7.305 0.000) 8.413 2.143 ( -9.168 10.978 0.000) 14.303 2.359 ( 4.507 8.464 0.000) 9.589 2.566 ( -18.579 18.295 0.000) 26.074 2.668 ( 2.072 2.371 0.000) 3.149 2.903 ( -0.594 -0.369 0.000) 0.699 2.978 ( 7.427 3.850 0.000) 8.365 3.303 ( -0.938 6.330 0.000) 6.399 3.441 ( -3.463 5.784 0.000) 6.741 3.556 ( 5.297 -0.993 0.000) 5.389 3.804 ( 6.156 -6.357 0.000) 8.849 4.246 ( 3.097 -10.791 0.000) 11.227 4.262 ( 8.336 -4.720 0.000) 9.579 4.329 ( 4.964 -1.028 0.000) 5.069 4.356 ( -2.312 -13.775 0.000) 13.968 4.898 ( -10.905 6.245 0.000) 12.567 5.191 ( -6.736 -1.187 0.000) 6.840 6.899 ( 8.403 1.235 0.000) 8.493 7.398 ( 4.485 -4.031 0.000) 6.030 7.878 ( -11.566 4.457 0.000) 12.395 8.107 ( 8.087 9.630 0.000) 12.575 8.262 ( -13.368 -3.002 0.000) 13.701 8.635 ( 0.980 9.406 0.000) 9.457 8.808 ( -0.820 2.316 0.000) 2.457 9.014 ( 5.352 -5.549 0.000) 7.709 9.073 ( -6.585 -0.307 0.000) 6.592 9.280 ( -1.120 -3.661 0.000) 3.829 9.344 ( 5.516 -2.851 0.000) 6.210 9.403 ( 1.132 2.997 0.000) 3.204 11.657 ( 3.064 6.643 0.000) 7.315 12.169 ( -8.686 4.574 0.000) 9.817 12.739 ( 5.895 -15.937 0.000) 16.992 12.907 ( 3.071 -8.153 0.000) 8.712 13.513 ( 0.508 14.405 0.000) 14.414 13.672 ( -3.230 6.056 0.000) 6.864 14.145 ( 6.579 -2.657 0.000) 7.095 14.581 ( 0.164 -12.914 0.000) 12.915 18.166 ( 5.102 6.787 0.000) 8.491 19.039 ( -22.010 38.142 0.000) 44.037 19.095 ( 7.290 -7.715 0.000) 10.614 19.637 ( 5.458 9.894 0.000) 11.300 20.035 ( -11.838 -2.163 0.000) 12.034 20.186 ( -4.410 2.949 0.000) 5.305 20.464 ( 9.574 -0.989 0.000) 9.625 21.505 ( -11.130 -12.078 0.000) 16.424 23.474 ( 2.891 -0.370 0.000) 2.915 23.498 ( 3.352 -0.447 0.000) 3.382 23.723 ( -3.055 0.479 0.000) 3.092 23.816 ( -1.896 -0.912 0.000) 2.104 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 5.552 16.604 0.000) 17.507 0.865 ( 7.586 4.093 0.000) 8.620 1.087 ( -2.682 11.284 0.000) 11.599 1.271 ( 10.911 3.179 0.000) 11.365 1.347 ( -7.259 2.295 0.000) 7.613 1.433 ( 10.937 1.252 0.000) 11.009 1.449 ( 4.796 5.792 0.000) 7.520 1.524 ( 3.313 -2.980 0.000) 4.456 1.614 ( 0.409 2.738 0.000) 2.768 1.670 ( -2.509 -2.250 0.000) 3.370 1.844 ( -7.360 2.347 0.000) 7.725 1.906 ( -5.860 -3.910 0.000) 7.045 1.952 ( -3.037 6.877 0.000) 7.518 2.204 ( -16.193 16.152 0.000) 22.871 2.509 ( 8.455 6.316 0.000) 10.553 2.739 ( 5.230 3.389 0.000) 6.232 2.822 ( -6.214 -1.191 0.000) 6.327 3.111 ( -12.199 9.770 0.000) 15.629 3.137 ( 7.958 2.824 0.000) 8.444 3.402 ( -3.694 -1.310 0.000) 3.920 3.780 ( 15.053 0.742 0.000) 15.072 4.014 ( 11.249 -7.686 0.000) 13.624 4.261 ( -3.138 -12.030 0.000) 12.433 4.289 ( -3.815 -11.171 0.000) 11.804 4.360 ( 4.102 -2.988 0.000) 5.075 4.527 ( 11.999 -2.205 0.000) 12.200 4.660 ( -11.611 6.685 0.000) 13.398 5.016 ( -10.393 -1.976 0.000) 10.579 7.100 ( 11.273 1.221 0.000) 11.339 7.522 ( 7.970 -4.599 0.000) 9.202 7.622 ( -13.360 3.092 0.000) 13.713 7.983 ( -13.726 -3.933 0.000) 14.279 8.317 ( 12.406 6.941 0.000) 14.216 8.663 ( 1.733 10.319 0.000) 10.463 8.764 ( -2.758 8.687 0.000) 9.115 8.870 ( -12.416 1.839 0.000) 12.551 9.155 ( 6.737 -9.679 0.000) 11.793 9.279 ( -0.030 -5.019 0.000) 5.019 9.425 ( 2.443 -2.130 0.000) 3.241 9.429 ( 1.217 1.689 0.000) 2.082 11.736 ( 4.759 6.626 0.000) 8.158 11.998 ( -7.976 5.468 0.000) 9.670 12.852 ( 4.853 -17.126 0.000) 17.801 12.944 ( 0.477 -12.763 0.000) 12.772 13.531 ( 1.297 15.233 0.000) 15.288 13.613 ( -2.590 10.368 0.000) 10.687 14.282 ( 6.870 -3.763 0.000) 7.833 14.531 ( -4.451 -8.376 0.000) 9.486 18.296 ( 7.696 9.479 0.000) 12.210 18.702 ( -12.949 23.242 0.000) 26.606 19.272 ( 10.154 -5.833 0.000) 11.710 19.765 ( -4.743 0.084 0.000) 4.744 19.782 ( -1.217 4.576 0.000) 4.735 20.075 ( -6.409 4.302 0.000) 7.719 20.691 ( 12.547 -4.984 0.000) 13.501 21.246 ( -13.774 -11.442 0.000) 17.906 23.532 ( 2.941 0.145 0.000) 2.945 23.582 ( 4.662 -0.533 0.000) 4.692 23.659 ( -3.219 0.627 0.000) 3.279 23.760 ( -3.513 -0.911 0.000) 3.629 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -5.467 12.716 0.000) 13.841 0.855 ( 5.467 12.716 0.000) 13.841 1.177 ( -8.694 4.472 0.000) 9.777 1.177 ( 8.694 4.472 0.000) 9.777 1.495 ( -8.893 0.872 0.000) 8.936 1.495 ( 8.893 0.872 0.000) 8.936 1.557 ( -0.203 0.196 0.000) 0.282 1.557 ( 0.203 0.196 0.000) 0.282 1.615 ( -2.315 -2.279 0.000) 3.248 1.615 ( 2.315 -2.279 0.000) 3.248 1.758 ( -5.537 11.935 0.000) 13.157 1.758 ( 5.537 11.935 0.000) 13.157 1.986 ( -4.918 4.933 0.000) 6.965 1.986 ( 4.918 4.933 0.000) 6.965 2.677 ( -7.853 1.590 0.000) 8.012 2.677 ( 7.853 1.590 0.000) 8.012 2.888 ( -9.397 6.639 0.000) 11.506 2.888 ( 9.397 6.639 0.000) 11.506 3.290 ( -6.867 1.289 0.000) 6.986 3.290 ( 6.867 1.289 0.000) 6.986 4.082 ( -13.193 -6.110 0.000) 14.539 4.082 ( 13.193 -6.110 0.000) 14.539 4.199 ( -6.532 -8.485 0.000) 10.708 4.199 ( 6.532 -8.485 0.000) 10.708 4.468 ( -7.031 1.049 0.000) 7.109 4.468 ( 7.031 1.049 0.000) 7.109 4.780 ( -12.509 -2.346 0.000) 12.727 4.780 ( 12.509 -2.346 0.000) 12.727 7.350 ( -13.126 1.969 0.000) 13.273 7.350 ( 13.126 1.969 0.000) 13.273 7.722 ( -11.616 -4.689 0.000) 12.526 7.722 ( 11.616 -4.689 0.000) 12.526 8.590 ( -13.840 3.804 0.000) 14.353 8.590 ( 13.840 3.804 0.000) 14.353 8.711 ( -2.199 10.887 0.000) 11.107 8.711 ( 2.199 10.887 0.000) 11.107 9.254 ( -2.858 -7.727 0.000) 8.238 9.254 ( 2.858 -7.727 0.000) 8.238 9.446 ( -0.192 -0.334 0.000) 0.385 9.446 ( 0.192 -0.334 0.000) 0.385 11.850 ( -6.514 6.186 0.000) 8.983 11.850 ( 6.514 6.186 0.000) 8.983 12.926 ( -2.301 -16.205 0.000) 16.367 12.926 ( 2.301 -16.205 0.000) 16.367 13.566 ( -2.061 13.940 0.000) 14.092 13.566 ( 2.061 13.940 0.000) 14.092 14.418 ( -6.351 -5.498 0.000) 8.401 14.418 ( 6.351 -5.498 0.000) 8.401 18.475 ( -9.903 14.336 0.000) 17.424 18.475 ( 9.903 14.336 0.000) 17.424 19.504 ( -12.549 -4.028 0.000) 13.179 19.504 ( 12.549 -4.028 0.000) 13.179 19.931 ( -7.602 5.902 0.000) 9.624 19.931 ( 7.602 5.902 0.000) 9.624 20.962 ( -13.953 -8.873 0.000) 16.535 20.962 ( 13.953 -8.873 0.000) 16.535 23.594 ( -3.158 0.518 0.000) 3.200 23.594 ( 3.158 0.518 0.000) 3.200 23.677 ( -4.565 -0.752 0.000) 4.627 23.677 ( 4.565 -0.752 0.000) 4.627 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 0.000 8.957 0.000) 8.957 0.631 ( 0.000 17.370 0.000) 17.370 0.705 ( 0.000 -6.953 0.000) 6.953 1.080 ( 0.000 18.503 0.000) 18.503 1.209 ( 0.000 -10.183 0.000) 10.183 1.461 ( 0.000 9.293 0.000) 9.293 1.472 ( 0.000 1.791 0.000) 1.791 1.601 ( 0.000 0.444 0.000) 0.444 1.624 ( 0.000 -4.461 0.000) 4.461 1.701 ( 0.000 -2.090 0.000) 2.090 1.770 ( 0.000 -5.460 0.000) 5.460 1.861 ( 0.000 -14.090 0.000) 14.090 2.465 ( 0.000 10.543 0.000) 10.543 2.587 ( 0.000 0.178 0.000) 0.178 2.840 ( 0.000 18.796 0.000) 18.796 2.973 ( 0.000 14.057 0.000) 14.057 2.981 ( 0.000 8.788 0.000) 8.788 3.153 ( 0.000 2.216 0.000) 2.216 3.349 ( 0.000 4.366 0.000) 4.366 3.461 ( 0.000 2.608 0.000) 2.608 3.567 ( 0.000 -3.330 0.000) 3.330 3.740 ( 0.000 -4.728 0.000) 4.728 3.884 ( 0.000 -14.073 0.000) 14.073 4.035 ( 0.000 -20.453 0.000) 20.453 4.145 ( 0.000 0.736 0.000) 0.736 4.231 ( 0.000 -1.591 0.000) 1.591 5.229 ( 0.000 3.427 0.000) 3.427 5.307 ( 0.000 -0.825 0.000) 0.825 6.820 ( 0.000 5.687 0.000) 5.687 7.108 ( 0.000 -7.813 0.000) 7.813 8.137 ( 0.000 13.463 0.000) 13.463 8.341 ( 0.000 10.380 0.000) 10.380 8.564 ( 0.000 0.751 0.000) 0.751 8.686 ( 0.000 -11.107 0.000) 11.107 8.787 ( 0.000 4.099 0.000) 4.099 9.016 ( 0.000 -6.801 0.000) 6.801 9.118 ( 0.000 0.821 0.000) 0.821 9.130 ( 0.000 4.404 0.000) 4.404 9.268 ( 0.000 -5.974 0.000) 5.974 9.353 ( 0.000 -6.150 0.000) 6.150 11.748 ( 0.000 10.394 0.000) 10.394 12.289 ( 0.000 -15.312 0.000) 15.312 12.505 ( 0.000 4.704 0.000) 4.704 12.702 ( 0.000 -4.210 0.000) 4.210 13.772 ( 0.000 12.895 0.000) 12.895 13.826 ( 0.000 2.022 0.000) 2.022 13.918 ( 0.000 -2.107 0.000) 2.107 14.194 ( 0.000 -7.470 0.000) 7.470 18.208 ( 0.000 9.271 0.000) 9.271 18.698 ( 0.000 -13.393 0.000) 13.393 19.623 ( 0.000 9.719 0.000) 9.719 20.072 ( 0.000 -10.796 0.000) 10.796 20.309 ( 0.000 2.720 0.000) 2.720 20.323 ( 0.000 1.442 0.000) 1.442 21.249 ( 0.000 4.038 0.000) 4.038 21.391 ( 0.000 -2.625 0.000) 2.625 23.398 ( 0.000 0.111 0.000) 0.111 23.402 ( 0.000 -0.091 0.000) 0.091 23.813 ( 0.000 -0.222 0.000) 0.222 23.816 ( 0.000 -0.408 0.000) 0.408 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 22.170 3.730 0.000) 22.481 0.692 ( 5.682 15.668 0.000) 16.666 0.815 ( 8.832 -0.091 0.000) 8.832 1.117 ( 4.051 16.043 0.000) 16.547 1.234 ( 2.326 -9.393 0.000) 9.677 1.442 ( -1.112 7.640 0.000) 7.721 1.484 ( 0.132 3.032 0.000) 3.035 1.582 ( -1.905 1.197 0.000) 2.250 1.611 ( -0.678 -3.279 0.000) 3.348 1.690 ( -0.999 -2.450 0.000) 2.646 1.773 ( 0.183 -5.623 0.000) 5.626 1.848 ( -1.175 -13.460 0.000) 13.511 2.482 ( 1.392 7.665 0.000) 7.791 2.539 ( -4.842 3.587 0.000) 6.026 2.810 ( -0.965 18.771 0.000) 18.796 2.976 ( -0.840 7.646 0.000) 7.692 3.035 ( 4.672 13.753 0.000) 14.525 3.225 ( -8.258 11.980 0.000) 14.551 3.286 ( 7.227 -3.792 0.000) 8.161 3.381 ( -4.653 3.407 0.000) 5.767 3.526 ( 0.964 -3.001 0.000) 3.152 3.868 ( 0.960 -10.853 0.000) 10.895 3.908 ( 2.161 -15.329 0.000) 15.480 4.025 ( -2.440 7.994 0.000) 8.358 4.032 ( -0.337 -19.912 0.000) 19.915 4.261 ( 1.013 -2.492 0.000) 2.690 5.171 ( -5.533 3.940 0.000) 6.793 5.271 ( -3.649 -1.296 0.000) 3.872 6.847 ( 3.105 5.505 0.000) 6.320 7.163 ( 4.299 -8.959 0.000) 9.937 8.201 ( 5.510 12.204 0.000) 13.390 8.231 ( -9.516 8.605 0.000) 12.830 8.463 ( -10.127 -1.847 0.000) 10.294 8.666 ( -0.168 -9.142 0.000) 9.144 8.790 ( 2.042 8.061 0.000) 8.316 9.102 ( -2.128 6.270 0.000) 6.621 9.106 ( 3.765 -4.351 0.000) 5.753 9.127 ( 2.970 -1.847 0.000) 3.498 9.241 ( -2.403 -5.095 0.000) 5.633 9.367 ( 1.046 -5.088 0.000) 5.195 11.776 ( 2.447 10.499 0.000) 10.780 12.323 ( 3.198 -15.593 0.000) 15.918 12.437 ( -5.790 6.115 0.000) 8.421 12.716 ( 0.604 -6.619 0.000) 6.646 13.781 ( 0.862 13.332 0.000) 13.360 13.812 ( -0.641 3.972 0.000) 4.024 13.969 ( 4.194 -3.243 0.000) 5.302 14.250 ( 4.333 -10.353 0.000) 11.223 18.245 ( 3.613 9.911 0.000) 10.549 18.746 ( 4.745 -13.197 0.000) 14.024 19.634 ( 0.477 9.062 0.000) 9.075 20.018 ( -5.434 -7.467 0.000) 9.235 20.303 ( -1.172 2.626 0.000) 2.875 20.346 ( 2.691 0.911 0.000) 2.841 20.746 ( -34.025 24.703 0.000) 42.047 21.400 ( -6.605 -12.902 0.000) 14.494 23.416 ( 1.905 0.022 0.000) 1.906 23.429 ( 2.223 -0.515 0.000) 2.282 23.786 ( -1.944 0.437 0.000) 1.993 23.818 ( -0.565 -1.009 0.000) 1.156 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 8.573 12.416 0.000) 15.089 0.977 ( 6.242 11.807 0.000) 13.355 1.042 ( 16.401 1.431 0.000) 16.463 1.267 ( 10.654 8.769 0.000) 13.798 1.289 ( 2.487 -5.128 0.000) 5.699 1.420 ( -1.206 6.027 0.000) 6.147 1.474 ( -0.067 1.504 0.000) 1.505 1.521 ( -4.119 2.760 0.000) 4.958 1.621 ( 1.420 -1.012 0.000) 1.744 1.660 ( -2.078 -3.158 0.000) 3.781 1.777 ( 0.304 -5.825 0.000) 5.833 1.817 ( -1.797 -11.492 0.000) 11.631 2.393 ( -7.906 9.282 0.000) 12.193 2.530 ( 2.607 3.860 0.000) 4.658 2.831 ( 2.928 18.477 0.000) 18.707 2.843 ( -13.539 8.145 0.000) 15.800 3.003 ( -8.912 7.129 0.000) 11.412 3.141 ( 5.682 11.824 0.000) 13.118 3.394 ( 3.856 3.959 0.000) 5.527 3.438 ( -0.869 0.819 0.000) 1.194 3.595 ( 9.623 -2.317 0.000) 9.898 3.725 ( -4.735 -1.366 0.000) 4.928 3.957 ( 2.282 -17.110 0.000) 17.262 4.020 ( -0.868 -18.271 0.000) 18.292 4.165 ( 9.101 -2.761 0.000) 9.510 4.288 ( 2.879 -3.227 0.000) 4.325 5.012 ( -9.955 4.891 0.000) 11.092 5.155 ( -7.803 -2.377 0.000) 8.157 6.955 ( 7.509 4.465 0.000) 8.736 7.258 ( 5.222 -8.859 0.000) 10.284 7.994 ( -13.371 6.484 0.000) 14.860 8.203 ( -14.509 -3.228 0.000) 14.864 8.327 ( 6.848 11.302 0.000) 13.215 8.740 ( 7.298 -8.176 0.000) 10.959 8.847 ( 2.809 10.943 0.000) 11.298 9.060 ( -1.874 8.417 0.000) 8.624 9.077 ( -4.516 1.133 0.000) 4.656 9.186 ( -1.454 -5.424 0.000) 5.615 9.254 ( 5.321 -5.907 0.000) 7.951 9.387 ( 0.857 -4.415 0.000) 4.497 11.838 ( 3.573 11.119 0.000) 11.679 12.300 ( -7.225 8.258 0.000) 10.973 12.408 ( 4.869 -16.315 0.000) 17.026 12.710 ( -1.311 -10.815 0.000) 10.894 13.803 ( 1.190 13.992 0.000) 14.043 13.811 ( 0.500 7.270 0.000) 7.287 14.068 ( 5.268 -4.901 0.000) 7.195 14.322 ( 2.122 -12.437 0.000) 12.617 18.356 ( 7.409 11.706 0.000) 13.854 18.886 ( 8.895 -12.449 0.000) 15.300 19.553 ( -12.306 13.052 0.000) 17.939 19.875 ( -6.844 -1.092 0.000) 6.930 20.171 ( -18.414 26.681 0.000) 32.419 20.264 ( -2.618 4.493 0.000) 5.200 20.427 ( 5.179 -2.729 0.000) 5.854 21.182 ( -13.017 -19.397 0.000) 23.360 23.470 ( 3.186 0.029 0.000) 3.186 23.487 ( 3.443 -0.607 0.000) 3.496 23.738 ( -2.717 0.989 0.000) 2.892 23.791 ( -2.055 -1.415 0.000) 2.495 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 8.304 9.997 0.000) 12.996 1.074 ( 3.790 14.996 0.000) 15.468 1.296 ( -1.788 7.588 0.000) 7.796 1.313 ( 10.936 0.914 0.000) 10.974 1.415 ( -5.828 4.362 0.000) 7.280 1.425 ( 2.498 -4.590 0.000) 5.226 1.487 ( 8.725 3.866 0.000) 9.544 1.506 ( 2.549 0.583 0.000) 2.615 1.605 ( -3.260 -4.080 0.000) 5.222 1.638 ( -0.492 -0.116 0.000) 0.505 1.782 ( -1.235 -8.080 0.000) 8.174 1.785 ( 0.287 -5.373 0.000) 5.381 2.260 ( -3.799 15.963 0.000) 16.409 2.532 ( -15.033 13.830 0.000) 20.428 2.595 ( 3.890 -0.789 0.000) 3.970 2.837 ( -7.796 0.010 0.000) 7.796 2.923 ( 6.004 17.297 0.000) 18.309 3.260 ( 5.927 8.931 0.000) 10.719 3.269 ( -10.247 7.852 0.000) 12.910 3.443 ( -1.609 5.500 0.000) 5.730 3.770 ( 8.130 -2.540 0.000) 8.518 3.838 ( 9.638 -9.086 0.000) 13.246 3.985 ( -0.323 -15.230 0.000) 15.233 3.994 ( -1.386 -16.664 0.000) 16.721 4.309 ( 6.973 -1.178 0.000) 7.072 4.444 ( 11.552 -5.434 0.000) 12.767 4.777 ( -12.863 5.149 0.000) 13.855 4.958 ( -11.495 -3.704 0.000) 12.077 7.147 ( 11.385 3.637 0.000) 11.952 7.394 ( 8.649 -7.432 0.000) 11.404 7.704 ( -14.788 4.851 0.000) 15.563 7.900 ( -14.987 -4.292 0.000) 15.590 8.494 ( 9.654 10.108 0.000) 13.978 8.872 ( -3.015 7.987 0.000) 8.537 8.910 ( 7.938 -5.594 0.000) 9.711 8.962 ( -3.573 8.928 0.000) 9.617 9.027 ( -1.192 7.324 0.000) 7.421 9.153 ( -2.386 -7.064 0.000) 7.456 9.342 ( 3.236 -6.265 0.000) 7.051 9.398 ( 0.091 -4.814 0.000) 4.815 11.921 ( 4.635 11.495 0.000) 12.394 12.156 ( -6.842 9.971 0.000) 12.093 12.508 ( 4.770 -16.741 0.000) 17.408 12.666 ( -2.858 -14.198 0.000) 14.483 13.825 ( 0.815 13.861 0.000) 13.885 13.825 ( 0.693 10.265 0.000) 10.288 14.175 ( 5.165 -6.704 0.000) 8.463 14.328 ( -1.486 -11.204 0.000) 11.302 18.547 ( 11.459 14.529 0.000) 18.504 19.103 ( 12.349 -10.857 0.000) 16.443 19.186 ( -19.704 21.095 0.000) 28.866 19.677 ( -13.670 -6.341 0.000) 15.069 20.035 ( 1.717 18.290 0.000) 18.371 20.197 ( -3.897 7.605 0.000) 8.546 20.552 ( 7.112 -8.402 0.000) 11.008 20.925 ( -11.654 -19.873 0.000) 23.038 23.538 ( 3.491 0.468 0.000) 3.522 23.567 ( 4.379 -0.818 0.000) 4.454 23.678 ( -3.210 1.177 0.000) 3.419 23.736 ( -3.392 -1.452 0.000) 3.690 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.302 12.618 0.000) 12.622 1.123 ( 0.302 12.618 0.000) 12.622 1.298 ( -4.012 7.152 0.000) 8.201 1.298 ( 4.012 7.152 0.000) 8.201 1.466 ( -1.835 -3.682 0.000) 4.114 1.466 ( 1.835 -3.682 0.000) 4.114 1.543 ( -1.735 -3.709 0.000) 4.095 1.543 ( 1.735 -3.709 0.000) 4.095 1.596 ( -2.910 2.467 0.000) 3.815 1.596 ( 2.910 2.467 0.000) 3.815 1.780 ( -0.694 -4.925 0.000) 4.974 1.780 ( 0.694 -4.925 0.000) 4.974 2.292 ( -7.417 17.406 0.000) 18.921 2.292 ( 7.417 17.406 0.000) 18.921 2.695 ( -6.044 -2.215 0.000) 6.437 2.695 ( 6.044 -2.215 0.000) 6.437 3.073 ( -8.688 13.626 0.000) 16.160 3.073 ( 8.688 13.626 0.000) 16.160 3.372 ( -4.855 6.320 0.000) 7.969 3.372 ( 4.855 6.320 0.000) 7.969 3.918 ( -5.443 -9.334 0.000) 10.805 3.918 ( 5.443 -9.334 0.000) 10.805 3.965 ( -3.103 -13.949 0.000) 14.290 3.965 ( 3.103 -13.949 0.000) 14.290 4.512 ( -12.506 3.279 0.000) 12.928 4.512 ( 12.506 3.279 0.000) 12.928 4.702 ( -13.256 -5.048 0.000) 14.185 4.702 ( 13.256 -5.048 0.000) 14.185 7.408 ( -14.060 3.802 0.000) 14.565 7.408 ( 14.060 3.802 0.000) 14.565 7.613 ( -12.795 -5.746 0.000) 14.026 7.613 ( 12.795 -5.746 0.000) 14.026 8.704 ( -10.461 7.408 0.000) 12.818 8.704 ( 10.461 7.408 0.000) 12.818 8.969 ( -1.283 13.315 0.000) 13.377 8.969 ( 1.283 13.315 0.000) 13.377 9.077 ( -5.073 -9.382 0.000) 10.666 9.077 ( 5.073 -9.382 0.000) 10.666 9.387 ( -1.251 -5.645 0.000) 5.782 9.387 ( 1.251 -5.645 0.000) 5.782 12.027 ( -5.798 11.102 0.000) 12.525 12.027 ( 5.798 11.102 0.000) 12.525 12.597 ( -3.922 -16.152 0.000) 16.622 12.597 ( 3.922 -16.152 0.000) 16.622 13.833 ( -0.007 12.554 0.000) 12.554 13.833 ( 0.007 12.554 0.000) 12.554 14.270 ( -3.969 -8.881 0.000) 9.728 14.270 ( 3.969 -8.881 0.000) 9.728 18.823 ( -15.787 18.319 0.000) 24.183 18.823 ( 15.787 18.319 0.000) 24.183 19.380 ( -14.682 -8.456 0.000) 16.943 19.380 ( 14.682 -8.456 0.000) 16.943 20.110 ( -4.498 11.808 0.000) 12.636 20.110 ( 4.498 11.808 0.000) 12.636 20.716 ( -9.064 -14.932 0.000) 17.468 20.716 ( 9.064 -14.932 0.000) 17.468 23.609 ( -3.480 0.964 0.000) 3.612 23.609 ( 3.480 0.964 0.000) 3.612 23.657 ( -4.280 -1.190 0.000) 4.442 23.657 ( 4.280 -1.190 0.000) 4.442 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 -10.440 0.000) 10.440 0.506 ( 0.000 10.440 0.000) 10.440 0.957 ( 0.000 -14.641 0.000) 14.641 0.957 ( 0.000 14.641 0.000) 14.641 1.473 ( 0.000 -17.332 0.000) 17.332 1.473 ( 0.000 17.332 0.000) 17.332 1.533 ( 0.000 -4.127 0.000) 4.127 1.533 ( 0.000 4.127 0.000) 4.127 1.636 ( 0.000 -7.793 0.000) 7.793 1.636 ( 0.000 7.793 0.000) 7.793 1.671 ( 0.000 -0.234 0.000) 0.234 1.671 ( 0.000 0.234 0.000) 0.234 2.564 ( 0.000 -2.230 0.000) 2.230 2.564 ( 0.000 2.230 0.000) 2.230 3.121 ( 0.000 -4.771 0.000) 4.771 3.121 ( 0.000 4.771 0.000) 4.771 3.176 ( 0.000 -3.016 0.000) 3.016 3.176 ( 0.000 3.016 0.000) 3.016 3.444 ( 0.000 -4.607 0.000) 4.607 3.444 ( 0.000 4.607 0.000) 4.607 3.613 ( 0.000 -6.997 0.000) 6.997 3.613 ( 0.000 6.997 0.000) 6.997 3.702 ( 0.000 -4.465 0.000) 4.465 3.702 ( 0.000 4.465 0.000) 4.465 4.184 ( 0.000 -2.696 0.000) 2.696 4.184 ( 0.000 2.696 0.000) 2.696 5.281 ( 0.000 -1.852 0.000) 1.852 5.281 ( 0.000 1.852 0.000) 1.852 6.953 ( 0.000 -7.377 0.000) 7.377 6.953 ( 0.000 7.377 0.000) 7.377 8.423 ( 0.000 -14.334 0.000) 14.334 8.423 ( 0.000 14.334 0.000) 14.334 8.520 ( 0.000 -5.988 0.000) 5.988 8.520 ( 0.000 5.988 0.000) 5.988 8.881 ( 0.000 -5.731 0.000) 5.731 8.881 ( 0.000 5.731 0.000) 5.731 9.164 ( 0.000 -3.929 0.000) 3.929 9.164 ( 0.000 3.929 0.000) 3.929 9.232 ( 0.000 -5.656 0.000) 5.656 9.232 ( 0.000 5.656 0.000) 5.656 11.994 ( 0.000 -13.722 0.000) 13.722 11.994 ( 0.000 13.722 0.000) 13.722 12.606 ( 0.000 -5.145 0.000) 5.145 12.606 ( 0.000 5.145 0.000) 5.145 13.872 ( 0.000 -2.403 0.000) 2.403 13.872 ( 0.000 2.403 0.000) 2.403 14.011 ( 0.000 -10.639 0.000) 10.639 14.011 ( 0.000 10.639 0.000) 10.639 18.431 ( 0.000 -12.567 0.000) 12.567 18.431 ( 0.000 12.567 0.000) 12.567 19.842 ( 0.000 -11.597 0.000) 11.597 19.842 ( 0.000 11.597 0.000) 11.597 20.339 ( 0.000 -0.186 0.000) 0.186 20.339 ( 0.000 0.186 0.000) 0.186 21.328 ( 0.000 -3.607 0.000) 3.607 21.328 ( 0.000 3.607 0.000) 3.607 23.400 ( 0.000 -0.118 0.000) 0.118 23.400 ( 0.000 0.118 0.000) 0.118 23.811 ( 0.000 -0.075 0.000) 0.075 23.811 ( 0.000 0.075 0.000) 0.075 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 17.303 -5.211 0.000) 18.070 0.732 ( 17.303 5.211 0.000) 18.070 0.996 ( 3.686 -13.897 0.000) 14.378 0.996 ( 3.686 13.897 0.000) 14.378 1.484 ( 1.103 -16.339 0.000) 16.376 1.484 ( 1.103 16.339 0.000) 16.376 1.525 ( -0.753 -3.474 0.000) 3.555 1.525 ( -0.753 3.474 0.000) 3.555 1.638 ( 0.230 -7.529 0.000) 7.532 1.638 ( 0.230 7.529 0.000) 7.532 1.655 ( -1.618 -1.376 0.000) 2.124 1.655 ( -1.618 1.376 0.000) 2.124 2.548 ( -1.464 -1.469 0.000) 2.074 2.548 ( -1.464 1.469 0.000) 2.074 3.138 ( -1.249 -8.241 0.000) 8.335 3.138 ( -1.249 8.241 0.000) 8.335 3.195 ( 1.759 -8.259 0.000) 8.444 3.195 ( 1.759 8.259 0.000) 8.444 3.393 ( -0.803 -4.904 0.000) 4.970 3.393 ( -0.803 4.904 0.000) 4.970 3.626 ( -0.275 -12.296 0.000) 12.300 3.626 ( -0.275 12.296 0.000) 12.300 3.708 ( 0.612 -4.820 0.000) 4.859 3.708 ( 0.612 4.820 0.000) 4.859 4.173 ( -0.354 -6.144 0.000) 6.154 4.173 ( -0.354 6.144 0.000) 6.154 5.234 ( -4.588 -2.427 0.000) 5.191 5.234 ( -4.588 2.427 0.000) 5.191 6.986 ( 3.185 -8.176 0.000) 8.774 6.986 ( 3.185 8.176 0.000) 8.774 8.386 ( -11.168 -6.075 0.000) 12.713 8.386 ( -11.168 6.075 0.000) 12.713 8.449 ( 2.862 -11.993 0.000) 12.330 8.449 ( 2.862 11.993 0.000) 12.330 8.957 ( 5.527 -8.310 0.000) 9.980 8.957 ( 5.527 8.310 0.000) 9.980 9.155 ( -0.871 -3.122 0.000) 3.241 9.155 ( -0.871 3.122 0.000) 3.241 9.238 ( 0.492 -7.015 0.000) 7.032 9.238 ( 0.492 7.015 0.000) 7.032 12.024 ( 2.770 -13.852 0.000) 14.126 12.024 ( 2.770 13.852 0.000) 14.126 12.574 ( -3.067 -7.229 0.000) 7.853 12.574 ( -3.067 7.229 0.000) 7.853 13.895 ( 2.158 -4.063 0.000) 4.601 13.895 ( 2.158 4.063 0.000) 4.601 14.033 ( 1.866 -11.558 0.000) 11.708 14.033 ( 1.866 11.558 0.000) 11.708 18.478 ( 4.622 -12.917 0.000) 13.719 18.478 ( 4.622 12.917 0.000) 13.719 19.832 ( -1.354 -10.103 0.000) 10.194 19.832 ( -1.354 10.103 0.000) 10.194 20.343 ( 0.437 -1.210 0.000) 1.286 20.343 ( 0.437 1.210 0.000) 1.286 21.127 ( -17.747 -15.010 0.000) 23.244 21.127 ( -17.747 15.010 0.000) 23.244 23.420 ( 1.940 -0.364 0.000) 1.974 23.420 ( 1.940 0.364 0.000) 1.974 23.799 ( -1.224 -0.835 0.000) 1.482 23.799 ( -1.224 0.835 0.000) 1.482 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 14.264 -0.372 0.000) 14.269 1.068 ( 14.264 0.372 0.000) 14.269 1.096 ( 5.918 -11.976 0.000) 13.359 1.096 ( 5.918 11.976 0.000) 13.359 1.505 ( -1.193 -0.583 0.000) 1.328 1.505 ( -1.193 0.583 0.000) 1.328 1.522 ( 2.631 -11.932 0.000) 12.218 1.522 ( 2.631 11.932 0.000) 12.218 1.605 ( -3.137 -2.676 0.000) 4.123 1.605 ( -3.137 2.676 0.000) 4.123 1.650 ( 1.020 -5.741 0.000) 5.831 1.650 ( 1.020 5.741 0.000) 5.831 2.513 ( -1.736 -3.642 0.000) 4.035 2.513 ( -1.736 3.642 0.000) 4.035 2.987 ( -11.455 -6.351 0.000) 13.098 2.987 ( -11.455 6.351 0.000) 13.098 3.243 ( 2.871 -12.222 0.000) 12.554 3.243 ( 2.871 12.222 0.000) 12.554 3.502 ( 7.566 -5.187 0.000) 9.173 3.502 ( 7.566 5.187 0.000) 9.173 3.589 ( -1.574 -11.222 0.000) 11.332 3.589 ( -1.574 11.222 0.000) 11.332 3.728 ( 1.353 -4.660 0.000) 4.853 3.728 ( 1.353 4.660 0.000) 4.853 4.201 ( 3.700 -4.698 0.000) 5.980 4.201 ( 3.700 4.698 0.000) 5.980 5.096 ( -9.012 -3.527 0.000) 9.677 5.096 ( -9.012 3.527 0.000) 9.677 7.081 ( 6.305 -7.963 0.000) 10.157 7.081 ( 6.305 7.963 0.000) 10.157 8.118 ( -14.729 -5.406 0.000) 15.690 8.118 ( -14.729 5.406 0.000) 15.690 8.548 ( 6.732 -10.478 0.000) 12.455 8.548 ( 6.732 10.478 0.000) 12.455 9.049 ( 2.153 -8.421 0.000) 8.692 9.049 ( 2.153 8.421 0.000) 8.692 9.136 ( -0.176 -4.515 0.000) 4.519 9.136 ( -0.176 4.515 0.000) 4.519 9.247 ( 0.215 -8.901 0.000) 8.904 9.247 ( 0.215 8.901 0.000) 8.904 12.097 ( 4.218 -14.389 0.000) 14.994 12.097 ( 4.218 14.389 0.000) 14.994 12.491 ( -4.772 -10.488 0.000) 11.523 12.491 ( -4.772 10.488 0.000) 11.523 13.952 ( 3.266 -6.517 0.000) 7.289 13.952 ( 3.266 6.517 0.000) 7.289 14.072 ( 1.637 -12.732 0.000) 12.837 14.072 ( 1.637 12.732 0.000) 12.837 18.617 ( 9.077 -13.708 0.000) 16.441 18.617 ( 9.077 13.708 0.000) 16.441 19.753 ( -7.533 -8.244 0.000) 11.168 19.753 ( -7.533 8.244 0.000) 11.168 20.355 ( 0.679 -4.292 0.000) 4.345 20.355 ( 0.679 4.292 0.000) 4.345 20.732 ( -18.021 -25.442 0.000) 31.178 20.732 ( -18.021 25.442 0.000) 31.178 23.475 ( 3.350 -0.470 0.000) 3.382 23.475 ( 3.350 0.470 0.000) 3.382 23.762 ( -2.341 -1.387 0.000) 2.721 23.762 ( -2.341 1.387 0.000) 2.721 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 6.493 -9.541 0.000) 11.541 1.225 ( 6.493 9.541 0.000) 11.541 1.284 ( 6.974 -5.109 0.000) 8.646 1.284 ( 6.974 5.109 0.000) 8.646 1.476 ( -1.666 -4.253 0.000) 4.568 1.476 ( -1.666 4.253 0.000) 4.568 1.512 ( -4.379 -4.937 0.000) 6.600 1.512 ( -4.379 4.937 0.000) 6.600 1.606 ( 3.792 -8.283 0.000) 9.110 1.606 ( 3.792 8.283 0.000) 9.110 1.674 ( 1.024 -4.548 0.000) 4.661 1.674 ( 1.024 4.548 0.000) 4.661 2.496 ( 0.712 -8.133 0.000) 8.164 2.496 ( 0.712 8.133 0.000) 8.164 2.747 ( -11.178 -8.102 0.000) 13.805 2.747 ( -11.178 8.102 0.000) 13.805 3.308 ( 3.486 -12.925 0.000) 13.387 3.308 ( 3.486 12.925 0.000) 13.387 3.475 ( -4.579 -7.623 0.000) 8.892 3.475 ( -4.579 7.623 0.000) 8.892 3.707 ( 6.354 -0.866 0.000) 6.412 3.707 ( 6.354 0.866 0.000) 6.412 3.759 ( 1.484 -3.271 0.000) 3.592 3.759 ( 1.484 3.271 0.000) 3.592 4.340 ( 10.221 -4.058 0.000) 10.997 4.340 ( 10.221 4.058 0.000) 10.997 4.874 ( -12.686 -4.525 0.000) 13.469 4.874 ( -12.686 4.525 0.000) 13.469 7.250 ( 10.414 -6.426 0.000) 12.237 7.250 ( 10.414 6.426 0.000) 12.237 7.806 ( -15.620 -4.995 0.000) 16.399 7.806 ( -15.620 4.995 0.000) 16.399 8.708 ( 8.637 -10.928 0.000) 13.929 8.708 ( 8.637 10.928 0.000) 13.929 9.009 ( -4.896 -6.927 0.000) 8.482 9.009 ( -4.896 6.927 0.000) 8.482 9.175 ( 2.718 -10.162 0.000) 10.520 9.175 ( 2.718 10.162 0.000) 10.520 9.243 ( -0.601 -10.135 0.000) 10.153 9.243 ( -0.601 10.135 0.000) 10.153 12.188 ( 4.717 -14.820 0.000) 15.553 12.188 ( 4.717 14.820 0.000) 15.553 12.389 ( -5.144 -12.982 0.000) 13.964 12.389 ( -5.144 12.982 0.000) 13.964 14.018 ( 3.080 -8.801 0.000) 9.324 14.018 ( 3.080 8.801 0.000) 9.324 14.089 ( -0.031 -12.466 0.000) 12.466 14.089 ( -0.031 12.466 0.000) 12.466 18.845 ( 13.380 -14.357 0.000) 19.625 18.845 ( 13.380 14.357 0.000) 19.625 19.504 ( -16.241 -11.319 0.000) 19.796 19.504 ( -16.241 11.319 0.000) 19.796 20.370 ( 0.855 -9.240 0.000) 9.280 20.370 ( 0.855 9.240 0.000) 9.280 20.476 ( -7.174 -23.678 0.000) 24.740 20.476 ( -7.174 23.678 0.000) 24.740 23.551 ( 3.988 -0.769 0.000) 4.061 23.551 ( 3.988 0.769 0.000) 4.061 23.705 ( -3.269 -1.508 0.000) 3.600 23.705 ( -3.269 1.508 0.000) 3.600 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -2.930 -8.173 0.000) 8.683 1.336 ( 2.930 -8.173 0.000) 8.683 1.336 ( -2.930 8.173 0.000) 8.683 1.336 ( 2.930 8.173 0.000) 8.683 1.447 ( -0.031 -5.927 0.000) 5.927 1.447 ( 0.031 -5.927 0.000) 5.927 1.447 ( -0.031 5.927 0.000) 5.927 1.447 ( 0.031 5.927 0.000) 5.927 1.670 ( -1.835 -4.944 0.000) 5.274 1.670 ( 1.835 -4.944 0.000) 5.274 1.670 ( -1.835 4.944 0.000) 5.274 1.670 ( 1.835 4.944 0.000) 5.274 2.564 ( -6.323 -10.033 0.000) 11.859 2.564 ( 6.323 -10.033 0.000) 11.859 2.564 ( -6.323 10.033 0.000) 11.859 2.564 ( 6.323 10.033 0.000) 11.859 3.385 ( -4.135 -11.227 0.000) 11.965 3.385 ( 4.135 -11.227 0.000) 11.965 3.385 ( -4.135 11.227 0.000) 11.965 3.385 ( 4.135 11.227 0.000) 11.965 3.773 ( -0.636 -1.284 0.000) 1.433 3.773 ( 0.636 -1.284 0.000) 1.433 3.773 ( -0.636 1.284 0.000) 1.433 3.773 ( 0.636 1.284 0.000) 1.433 4.597 ( -14.038 -5.007 0.000) 14.904 4.597 ( -14.038 5.007 0.000) 14.904 4.597 ( 14.038 -5.007 0.000) 14.904 4.597 ( 14.038 5.007 0.000) 14.904 7.501 ( -14.082 -5.261 0.000) 15.033 7.501 ( -14.082 5.261 0.000) 15.033 7.501 ( 14.082 -5.261 0.000) 15.033 7.501 ( 14.082 5.261 0.000) 15.033 8.878 ( -7.714 -9.578 0.000) 12.298 8.878 ( 7.714 -9.578 0.000) 12.298 8.878 ( -7.714 9.578 0.000) 12.298 8.878 ( 7.714 9.578 0.000) 12.298 9.220 ( -1.695 -10.695 0.000) 10.828 9.220 ( 1.695 -10.695 0.000) 10.828 9.220 ( -1.695 10.695 0.000) 10.828 9.220 ( 1.695 10.695 0.000) 10.828 12.286 ( -4.964 -14.430 0.000) 15.260 12.286 ( 4.964 -14.430 0.000) 15.260 12.286 ( -4.964 14.430 0.000) 15.260 12.286 ( 4.964 14.430 0.000) 15.260 14.070 ( -1.852 -10.912 0.000) 11.068 14.070 ( 1.852 -10.912 0.000) 11.068 14.070 ( -1.852 10.912 0.000) 11.068 14.070 ( 1.852 10.912 0.000) 11.068 19.155 ( -16.924 -14.000 0.000) 21.964 19.155 ( 16.924 -14.000 0.000) 21.964 19.155 ( -16.924 14.000 0.000) 21.964 19.155 ( 16.924 14.000 0.000) 21.964 20.395 ( -1.946 -15.928 0.000) 16.047 20.395 ( 1.946 -15.928 0.000) 16.047 20.395 ( -1.946 15.928 0.000) 16.047 20.395 ( 1.946 15.928 0.000) 16.047 23.632 ( -3.889 -1.232 0.000) 4.079 23.632 ( -3.889 1.232 0.000) 4.079 23.632 ( 3.889 -1.232 0.000) 4.079 23.632 ( 3.889 1.232 0.000) 4.079 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 0.000 0.000 15.047) 15.047 0.396 ( 0.000 0.000 17.861) 17.861 0.434 ( 0.000 0.000 21.341) 21.341 1.099 ( 0.000 0.000 1.731) 1.731 1.191 ( 0.000 0.000 1.235) 1.235 1.411 ( 0.000 0.000 -1.063) 1.063 1.552 ( 0.000 0.000 -2.271) 2.271 1.619 ( 0.000 0.000 -6.582) 6.582 1.651 ( 0.000 0.000 6.052) 6.052 1.674 ( 0.000 0.000 -3.626) 3.626 1.839 ( 0.000 0.000 -4.911) 4.911 1.995 ( 0.000 0.000 11.465) 11.465 2.106 ( 0.000 0.000 -6.991) 6.991 2.492 ( 0.000 0.000 1.098) 1.098 2.772 ( 0.000 0.000 6.281) 6.281 2.778 ( 0.000 0.000 1.958) 1.958 2.907 ( 0.000 0.000 3.854) 3.854 3.015 ( 0.000 0.000 2.661) 2.661 3.259 ( 0.000 0.000 0.308) 0.308 3.464 ( 0.000 0.000 -0.691) 0.691 3.538 ( 0.000 0.000 -2.431) 2.431 3.603 ( 0.000 0.000 -4.975) 4.975 3.856 ( 0.000 0.000 -2.558) 2.558 4.216 ( 0.000 0.000 -2.624) 2.624 4.219 ( 0.000 0.000 0.296) 0.296 4.545 ( 0.000 0.000 -1.247) 1.247 5.085 ( 0.000 0.000 0.021) 0.021 5.507 ( 0.000 0.000 -4.331) 4.331 6.757 ( 0.000 0.000 5.395) 5.395 7.432 ( 0.000 0.000 9.715) 9.715 7.822 ( 0.000 0.000 1.303) 1.303 8.042 ( 0.000 0.000 -3.073) 3.073 8.503 ( 0.000 0.000 -2.315) 2.315 8.699 ( 0.000 0.000 1.230) 1.230 8.864 ( 0.000 0.000 0.053) 0.053 8.904 ( 0.000 0.000 -0.411) 0.411 9.015 ( 0.000 0.000 -1.690) 1.690 9.124 ( 0.000 0.000 -3.523) 3.523 9.141 ( 0.000 0.000 1.971) 1.971 9.811 ( 0.000 0.000 -4.223) 4.223 11.517 ( 0.000 0.000 -0.791) 0.791 12.318 ( 0.000 0.000 -7.199) 7.199 12.814 ( 0.000 0.000 4.895) 4.895 12.816 ( 0.000 0.000 2.174) 2.174 13.328 ( 0.000 0.000 -1.816) 1.816 13.746 ( 0.000 0.000 -3.404) 3.404 14.357 ( 0.000 0.000 0.848) 0.848 14.517 ( 0.000 0.000 -0.596) 0.596 18.091 ( 0.000 0.000 6.826) 6.826 18.618 ( 0.000 0.000 3.148) 3.148 19.023 ( 0.000 0.000 -2.035) 2.035 19.440 ( 0.000 0.000 2.922) 2.922 20.162 ( 0.000 0.000 -3.305) 3.305 20.240 ( 0.000 0.000 -8.331) 8.331 21.138 ( 0.000 0.000 0.018) 0.018 21.367 ( 0.000 0.000 -0.714) 0.714 23.383 ( 0.000 0.000 -0.786) 0.786 23.402 ( 0.000 0.000 -0.227) 0.227 23.907 ( 0.000 0.000 6.608) 6.608 24.715 ( 0.000 0.000 -2.181) 2.181 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 10.004 0.000 8.401) 13.063 0.438 ( 3.813 0.000 15.654) 16.111 0.746 ( 20.769 0.000 13.348) 24.689 1.084 ( -0.908 0.000 1.429) 1.693 1.166 ( -2.346 0.000 1.790) 2.951 1.428 ( 1.099 0.000 -1.104) 1.558 1.503 ( -7.519 0.000 -2.976) 8.087 1.537 ( -0.847 0.000 -0.952) 1.274 1.635 ( -1.502 0.000 6.768) 6.932 1.707 ( 0.841 0.000 -3.745) 3.839 1.839 ( 0.057 0.000 -4.894) 4.894 2.056 ( 4.864 0.000 7.848) 9.233 2.096 ( -1.388 0.000 -6.972) 7.109 2.387 ( -9.142 0.000 0.430) 9.152 2.685 ( -13.493 0.000 5.381) 14.526 2.719 ( -4.190 0.000 3.643) 5.552 2.853 ( 4.601 0.000 4.385) 6.355 2.998 ( -6.928 0.000 8.265) 10.785 3.199 ( 7.940 0.000 2.300) 8.266 3.335 ( 0.952 0.000 5.072) 5.161 3.587 ( -1.188 0.000 -3.829) 4.009 3.807 ( -2.874 0.000 -2.446) 3.774 3.949 ( 15.348 0.000 -13.248) 20.274 4.226 ( 1.860 0.000 -3.257) 3.751 4.286 ( 4.902 0.000 0.747) 4.959 4.547 ( 0.012 0.000 -0.232) 0.232 5.015 ( -6.759 0.000 0.341) 6.767 5.371 ( -8.870 0.000 0.507) 8.885 6.809 ( 5.023 0.000 5.404) 7.378 7.436 ( 0.732 0.000 8.212) 8.245 7.851 ( 2.341 0.000 -0.341) 2.366 8.038 ( -1.684 0.000 0.175) 1.693 8.511 ( 0.579 0.000 -1.031) 1.182 8.562 ( -11.191 0.000 0.179) 11.193 8.842 ( -3.978 0.000 -0.937) 4.087 8.945 ( 7.321 0.000 0.057) 7.321 9.071 ( 1.774 0.000 -4.025) 4.399 9.185 ( 3.983 0.000 0.248) 3.991 9.219 ( 7.098 0.000 -2.442) 7.506 9.616 ( -12.849 0.000 4.816) 13.722 11.534 ( 1.688 0.000 -0.519) 1.766 12.250 ( -5.958 0.000 -4.904) 7.717 12.863 ( 4.621 0.000 4.197) 6.242 12.871 ( 4.689 0.000 0.363) 4.703 13.317 ( -1.131 0.000 -1.898) 2.209 13.730 ( -3.492 0.000 -1.829) 3.942 14.129 ( -5.195 0.000 6.040) 7.967 14.681 ( 3.403 0.000 -7.942) 8.640 18.107 ( 1.643 0.000 6.572) 6.774 18.602 ( -1.652 0.000 3.076) 3.491 19.057 ( 3.270 0.000 -2.006) 3.837 19.477 ( 3.542 0.000 2.830) 4.534 20.171 ( -6.610 0.000 -7.918) 10.314 20.225 ( 5.823 0.000 -3.643) 6.869 20.659 ( -21.000 0.000 19.316) 28.533 21.579 ( 2.419 0.000 -12.818) 13.044 23.396 ( 1.472 0.000 -1.087) 1.830 23.432 ( 2.630 0.000 -0.342) 2.652 23.902 ( -0.647 0.000 6.022) 6.056 24.290 ( -22.756 0.000 20.034) 30.319 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 5.073 0.000 11.960) 12.991 0.638 ( 14.188 0.000 3.532) 14.621 1.087 ( -1.156 0.000 2.059) 2.361 1.110 ( -0.276 0.000 2.433) 2.448 1.157 ( 18.438 0.000 7.259) 19.816 1.333 ( -5.728 0.000 -1.102) 5.833 1.488 ( 2.805 0.000 -0.567) 2.862 1.508 ( -3.196 0.000 0.279) 3.208 1.608 ( -0.465 0.000 6.581) 6.598 1.705 ( -0.859 0.000 -2.319) 2.473 1.849 ( 1.110 0.000 -4.818) 4.944 2.042 ( -3.689 0.000 -5.892) 6.951 2.065 ( -9.138 0.000 1.936) 9.340 2.216 ( -6.565 0.000 -0.978) 6.638 2.436 ( -6.631 0.000 8.784) 11.006 2.664 ( -0.113 0.000 1.617) 1.620 2.907 ( 1.230 0.000 -0.627) 1.380 3.035 ( 4.402 0.000 3.923) 5.897 3.202 ( -7.767 0.000 3.550) 8.540 3.437 ( 8.353 0.000 4.414) 9.448 3.553 ( -0.370 0.000 -2.700) 2.725 3.855 ( 8.155 0.000 -3.133) 8.737 4.211 ( 11.882 0.000 -8.595) 14.665 4.269 ( 1.923 0.000 -4.663) 5.044 4.394 ( 5.158 0.000 2.055) 5.552 4.542 ( -0.482 0.000 1.809) 1.872 4.822 ( -11.895 0.000 1.268) 11.963 5.199 ( -8.609 0.000 -1.275) 8.703 6.951 ( 8.609 0.000 5.424) 10.175 7.478 ( 3.719 0.000 5.124) 6.332 7.834 ( -6.561 0.000 -0.490) 6.579 8.053 ( 6.413 0.000 4.295) 7.718 8.304 ( -13.586 0.000 -0.504) 13.596 8.522 ( 0.636 0.000 0.052) 0.638 8.757 ( -4.370 0.000 -0.901) 4.462 9.039 ( -5.639 0.000 -3.125) 6.446 9.125 ( 9.550 0.000 -0.281) 9.555 9.264 ( 3.297 0.000 -1.308) 3.547 9.353 ( 5.513 0.000 -1.645) 5.753 9.417 ( -5.851 0.000 3.612) 6.876 11.587 ( 3.494 0.000 0.183) 3.499 12.106 ( -7.787 0.000 -1.707) 7.972 12.979 ( 5.433 0.000 -1.635) 5.674 12.990 ( 7.483 0.000 2.486) 7.885 13.284 ( -2.106 0.000 -2.100) 2.974 13.609 ( -7.034 0.000 -0.115) 7.035 14.158 ( 5.310 0.000 -0.759) 5.364 14.668 ( -3.444 0.000 -6.112) 7.016 18.159 ( 3.545 0.000 5.865) 6.853 18.552 ( -3.267 0.000 3.068) 4.481 19.153 ( 6.089 0.000 -2.152) 6.458 19.581 ( 6.571 0.000 2.736) 7.118 19.987 ( -11.076 0.000 -6.804) 12.999 20.305 ( -6.413 0.000 7.932) 10.200 20.442 ( 5.675 0.000 0.107) 5.676 21.493 ( -9.079 0.000 -10.754) 14.074 23.444 ( 3.207 0.000 -0.886) 3.327 23.502 ( 4.158 0.000 0.165) 4.162 23.874 ( -2.226 0.000 4.813) 5.303 23.968 ( -10.962 0.000 15.541) 19.018 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 6.327 0.000 9.289) 11.239 0.928 ( 13.981 0.000 3.808) 14.490 0.961 ( -8.267 0.000 5.357) 9.851 1.232 ( 9.780 0.000 0.862) 9.818 1.330 ( 6.070 0.000 0.167) 6.073 1.390 ( -7.546 0.000 4.563) 8.818 1.461 ( 10.324 0.000 3.453) 10.887 1.548 ( 2.635 0.000 -0.622) 2.707 1.612 ( 0.182 0.000 3.130) 3.136 1.677 ( -1.902 0.000 -1.420) 2.373 1.796 ( -14.562 0.000 0.631) 14.575 1.881 ( 1.829 0.000 -4.868) 5.200 1.933 ( -18.058 0.000 0.027) 18.058 1.966 ( -3.315 0.000 -5.460) 6.387 2.514 ( 9.252 0.000 6.922) 11.555 2.703 ( 3.474 0.000 -0.734) 3.551 2.884 ( -3.522 0.000 -2.550) 4.349 2.977 ( -12.479 0.000 4.866) 13.394 3.138 ( 6.363 0.000 1.987) 6.667 3.420 ( -5.787 0.000 -0.449) 5.804 3.788 ( 17.682 0.000 1.669) 17.761 4.057 ( 9.962 0.000 -4.165) 10.797 4.286 ( -0.781 0.000 -5.963) 6.014 4.415 ( 1.626 0.000 -5.908) 6.127 4.476 ( 2.793 0.000 3.675) 4.616 4.531 ( -0.532 0.000 3.400) 3.441 4.586 ( -4.404 0.000 2.364) 4.998 5.005 ( -10.701 0.000 -2.805) 11.063 7.150 ( 10.955 0.000 5.404) 12.215 7.592 ( 7.594 0.000 2.335) 7.945 7.636 ( -11.642 0.000 3.548) 12.170 8.029 ( -13.154 0.000 -0.405) 13.160 8.263 ( 13.047 0.000 1.969) 13.195 8.543 ( 1.621 0.000 0.130) 1.627 8.668 ( -4.250 0.000 -0.242) 4.257 8.842 ( -12.827 0.000 -1.141) 12.878 9.302 ( 7.391 0.000 -0.895) 7.445 9.317 ( 2.021 0.000 -1.161) 2.331 9.363 ( -0.848 0.000 0.365) 0.923 9.427 ( 1.552 0.000 -1.392) 2.085 11.676 ( 5.290 0.000 0.926) 5.370 11.947 ( -7.698 0.000 0.328) 7.705 13.082 ( 4.650 0.000 -2.389) 5.228 13.152 ( 8.207 0.000 0.589) 8.228 13.233 ( -2.894 0.000 -2.324) 3.711 13.465 ( -7.197 0.000 -0.886) 7.252 14.289 ( 7.040 0.000 -2.695) 7.538 14.568 ( -6.048 0.000 -4.659) 7.635 18.249 ( 5.192 0.000 4.901) 7.139 18.469 ( -4.789 0.000 3.353) 5.847 19.302 ( 8.655 0.000 -2.748) 9.081 19.736 ( 8.613 0.000 3.091) 9.150 19.743 ( -12.366 0.000 -5.316) 13.460 20.118 ( -9.668 0.000 7.128) 12.012 20.671 ( 13.591 0.000 -6.241) 14.955 21.256 ( -13.605 0.000 -9.165) 16.404 23.523 ( 4.583 0.000 0.568) 4.618 23.594 ( 4.540 0.000 0.859) 4.620 23.790 ( -6.726 0.000 8.202) 10.607 23.814 ( -3.967 0.000 5.258) 6.587 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -8.020 0.000 7.330) 10.865 0.791 ( 8.020 0.000 7.330) 10.865 1.191 ( -11.631 0.000 4.967) 12.647 1.191 ( 11.631 0.000 4.967) 12.647 1.473 ( -12.395 0.000 1.071) 12.441 1.473 ( 12.395 0.000 1.071) 12.441 1.556 ( -13.356 0.000 -0.859) 13.383 1.556 ( 13.356 0.000 -0.859) 13.383 1.592 ( -2.882 0.000 2.412) 3.758 1.592 ( 2.882 0.000 2.412) 3.758 1.646 ( -1.307 0.000 -0.001) 1.307 1.646 ( 1.307 0.000 -0.001) 1.307 1.916 ( -1.746 0.000 -5.250) 5.533 1.916 ( 1.746 0.000 -5.250) 5.533 2.730 ( -11.625 0.000 5.715) 12.954 2.730 ( 11.625 0.000 5.715) 12.954 2.791 ( -4.919 0.000 -1.802) 5.239 2.791 ( 4.919 0.000 -1.802) 5.239 3.282 ( -7.363 0.000 0.069) 7.364 3.282 ( 7.363 0.000 0.069) 7.364 4.154 ( -17.619 0.000 0.864) 17.640 4.154 ( 17.619 0.000 0.864) 17.640 4.221 ( -5.789 0.000 -5.512) 7.994 4.221 ( 5.789 0.000 -5.512) 7.994 4.515 ( -1.231 0.000 4.104) 4.285 4.515 ( 1.231 0.000 4.104) 4.285 4.767 ( -12.466 0.000 -2.844) 12.786 4.767 ( 12.466 0.000 -2.844) 12.786 7.389 ( -12.309 0.000 5.032) 13.298 7.389 ( 12.309 0.000 5.032) 13.298 7.782 ( -10.975 0.000 0.498) 10.986 7.782 ( 10.975 0.000 0.498) 10.986 8.548 ( -13.214 0.000 0.054) 13.214 8.548 ( 13.214 0.000 0.054) 13.214 8.597 ( -2.918 0.000 0.353) 2.940 8.597 ( 2.918 0.000 0.353) 2.940 9.347 ( -1.013 0.000 -0.776) 1.276 9.347 ( 1.013 0.000 -0.776) 1.276 9.411 ( -3.145 0.000 -1.277) 3.395 9.411 ( 3.145 0.000 -1.277) 3.395 11.799 ( -6.768 0.000 1.130) 6.862 11.799 ( 6.768 0.000 1.130) 6.862 13.166 ( -3.687 0.000 -2.471) 4.438 13.166 ( 3.687 0.000 -2.471) 4.438 13.314 ( -7.720 0.000 -0.708) 7.752 13.314 ( 7.720 0.000 -0.708) 7.752 14.433 ( -7.068 0.000 -3.640) 7.950 14.433 ( 7.068 0.000 -3.640) 7.950 18.362 ( -5.665 0.000 3.986) 6.926 18.362 ( 5.665 0.000 3.986) 6.926 19.503 ( -11.055 0.000 -3.852) 11.707 19.503 ( 11.055 0.000 -3.852) 11.707 19.922 ( -9.526 0.000 4.387) 10.487 19.922 ( 9.526 0.000 4.387) 10.487 20.963 ( -14.807 0.000 -7.895) 16.780 20.963 ( 14.807 0.000 -7.895) 16.780 23.620 ( -3.958 0.000 2.225) 4.541 23.620 ( 3.958 0.000 2.225) 4.541 23.734 ( -2.998 0.000 4.490) 5.399 23.734 ( 2.998 0.000 4.490) 5.399 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( 0.000 3.842 8.405) 9.241 0.354 ( 0.000 3.007 13.674) 14.001 0.742 ( 0.000 15.237 15.031) 21.403 1.047 ( 0.000 -3.339 3.583) 4.898 1.271 ( 0.000 6.223 0.331) 6.232 1.348 ( 0.000 -5.450 -2.264) 5.901 1.494 ( 0.000 -2.503 0.462) 2.545 1.651 ( 0.000 -0.856 1.263) 1.526 1.662 ( 0.000 -0.635 1.152) 1.316 1.680 ( 0.000 2.430 -5.021) 5.578 1.796 ( 0.000 -3.114 -5.081) 5.960 2.037 ( 0.000 -6.582 -5.130) 8.345 2.151 ( 0.000 14.996 5.628) 16.017 2.555 ( 0.000 5.166 1.905) 5.506 2.656 ( 0.000 -7.142 2.909) 7.712 2.789 ( 0.000 2.302 0.405) 2.337 2.872 ( 0.000 7.719 6.444) 10.055 3.075 ( 0.000 5.055 1.720) 5.339 3.318 ( 0.000 3.553 1.990) 4.072 3.451 ( 0.000 -0.825 -0.394) 0.914 3.557 ( 0.000 -4.552 -6.333) 7.799 3.728 ( 0.000 3.653 -5.926) 6.962 3.941 ( 0.000 5.502 -7.705) 9.468 4.161 ( 0.000 -5.208 0.691) 5.254 4.202 ( 0.000 -1.837 -3.231) 3.717 4.429 ( 0.000 -9.883 1.829) 10.051 5.135 ( 0.000 3.914 -0.870) 4.010 5.389 ( 0.000 -6.394 0.922) 6.460 6.789 ( 0.000 3.359 5.571) 6.505 7.354 ( 0.000 -6.559 9.178) 11.281 7.919 ( 0.000 8.435 0.992) 8.493 8.118 ( 0.000 7.184 -3.071) 7.813 8.495 ( 0.000 0.368 -3.062) 3.085 8.727 ( 0.000 2.656 1.046) 2.854 8.746 ( 0.000 -5.462 -5.067) 7.450 9.040 ( 0.000 2.417 -1.587) 2.891 9.088 ( 0.000 -0.792 -2.729) 2.841 9.138 ( 0.000 -0.144 1.884) 1.889 9.181 ( 0.000 8.545 -5.014) 9.908 9.632 ( 0.000 -13.340 1.019) 13.378 11.574 ( 0.000 5.492 -0.892) 5.564 12.337 ( 0.000 -0.496 -7.474) 7.490 12.672 ( 0.000 -9.460 5.646) 11.017 12.793 ( 0.000 -2.309 2.106) 3.125 13.493 ( 0.000 12.713 -1.356) 12.785 13.761 ( 0.000 1.560 -2.967) 3.353 14.187 ( 0.000 -15.587 11.908) 19.616 14.316 ( 0.000 -4.001 0.693) 4.061 18.136 ( 0.000 4.318 6.482) 7.788 18.926 ( 0.000 -8.891 -1.256) 8.979 19.363 ( 0.000 24.542 -22.772) 33.480 19.592 ( 0.000 24.852 -10.604) 27.020 20.140 ( 0.000 -4.330 -7.999) 9.095 20.247 ( 0.000 2.326 -2.233) 3.225 21.150 ( 0.000 1.070 -1.857) 2.143 21.336 ( 0.000 -2.587 -2.687) 3.730 23.387 ( 0.000 0.352 -0.538) 0.643 23.402 ( 0.000 0.029 -0.155) 0.158 23.905 ( 0.000 -0.124 6.767) 6.768 24.346 ( 0.000 -21.245 18.822) 28.383 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 10.344 3.876 -0.250) 11.049 0.641 ( 13.333 7.213 7.231) 16.795 0.825 ( 10.200 8.558 14.314) 19.549 1.074 ( 3.004 0.158 3.523) 4.633 1.250 ( -1.908 6.722 0.689) 7.022 1.371 ( 2.148 -5.263 -2.051) 6.043 1.475 ( -2.100 -1.009 -0.672) 2.425 1.597 ( -3.108 2.244 -2.197) 4.419 1.642 ( -1.424 0.566 5.681) 5.884 1.698 ( 0.193 -0.765 -2.919) 3.023 1.806 ( 0.726 -2.759 -5.019) 5.773 2.016 ( -1.991 -6.403 -4.741) 8.212 2.194 ( 3.358 13.428 4.228) 14.473 2.471 ( -7.569 6.336 2.081) 10.088 2.608 ( -3.166 -1.298 0.220) 3.428 2.799 ( 0.369 3.225 -1.118) 3.433 2.916 ( 3.923 2.369 5.026) 6.802 3.006 ( -11.399 9.912 3.762) 15.567 3.305 ( 4.149 4.110 2.362) 6.300 3.391 ( 1.349 0.125 0.253) 1.378 3.549 ( -0.364 -2.141 -2.843) 3.577 3.834 ( -8.369 4.033 -3.851) 10.056 3.945 ( 12.696 -2.099 -7.362) 14.825 4.170 ( 2.294 -7.283 -0.670) 7.665 4.240 ( 2.871 -3.114 -1.502) 4.494 4.439 ( 0.263 -9.051 2.525) 9.400 5.073 ( -6.031 4.518 -0.573) 7.557 5.317 ( -5.850 -3.610 0.296) 6.880 6.830 ( 4.238 2.382 5.663) 7.463 7.379 ( 1.738 -5.820 6.308) 8.756 7.940 ( 0.204 7.952 -2.227) 8.261 8.101 ( -0.546 6.018 0.969) 6.120 8.469 ( -5.449 -1.693 -1.639) 5.937 8.635 ( -3.189 3.828 -0.404) 4.999 8.776 ( 1.921 -3.492 -1.797) 4.372 8.989 ( -2.788 3.795 -0.710) 4.762 9.115 ( -0.446 0.850 -0.788) 1.242 9.193 ( 7.051 -1.946 -1.544) 7.476 9.243 ( 3.123 3.352 -2.908) 5.427 9.524 ( -7.759 -7.630 2.942) 11.273 11.597 ( 2.080 5.860 -0.817) 6.272 12.280 ( -5.142 1.822 -5.282) 7.594 12.684 ( 2.032 -12.131 4.217) 13.003 12.843 ( 3.724 -3.621 1.315) 5.358 13.492 ( -0.124 13.126 -1.489) 13.210 13.746 ( -2.457 1.918 -1.400) 3.417 14.080 ( -1.799 -4.145 4.803) 6.594 14.478 ( 6.926 -12.752 -1.012) 14.547 18.156 ( 2.106 4.796 6.175) 8.097 18.962 ( 3.368 -7.932 -1.781) 8.799 19.227 ( -12.865 34.700 -20.155) 42.140 19.582 ( 1.480 13.923 0.434) 14.008 20.108 ( -4.465 -5.061 -8.520) 10.870 20.271 ( 3.403 3.133 -2.169) 5.109 20.711 ( -21.761 5.046 15.593) 27.242 21.490 ( 0.873 -8.000 -10.555) 13.273 23.400 ( 1.543 0.436 -0.751) 1.770 23.431 ( 2.559 -0.078 -0.190) 2.567 23.897 ( -0.859 -0.384 6.195) 6.266 24.156 ( -12.900 -9.686 19.367) 25.205 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 12.233 3.008 -1.922) 12.743 0.802 ( 5.924 12.439 7.208) 15.549 1.087 ( 10.033 -0.666 3.205) 10.553 1.192 ( -0.876 7.549 1.756) 7.800 1.229 ( 10.748 5.849 6.838) 14.017 1.406 ( -1.496 3.253 -1.866) 4.038 1.438 ( 2.291 -3.983 -1.415) 4.808 1.543 ( -3.154 2.610 2.360) 4.726 1.621 ( -0.119 1.274 3.910) 4.114 1.688 ( -1.107 -1.603 -1.827) 2.671 1.822 ( 0.884 -2.583 -4.374) 5.156 1.955 ( -3.939 -5.718 -4.280) 8.157 2.164 ( -9.653 10.675 2.056) 14.538 2.386 ( 2.681 10.314 1.492) 10.761 2.517 ( -9.151 9.154 -1.524) 13.033 2.695 ( -6.098 2.498 1.922) 6.864 2.849 ( -0.957 -1.714 -2.673) 3.316 3.049 ( 4.962 2.372 3.878) 6.729 3.328 ( -3.003 6.647 1.990) 7.560 3.485 ( -4.115 -0.031 1.597) 4.414 3.540 ( 9.405 4.277 0.374) 10.338 3.784 ( 6.315 -5.131 -1.956) 8.368 4.160 ( 7.132 -5.630 -6.594) 11.227 4.233 ( 3.920 -7.115 -1.815) 8.323 4.328 ( 6.133 -3.719 0.677) 7.204 4.429 ( -1.100 -8.743 3.852) 9.617 4.901 ( -10.494 5.744 0.169) 11.964 5.177 ( -8.041 -1.880 -1.663) 8.424 6.959 ( 8.220 1.076 5.402) 9.895 7.424 ( 3.174 -5.268 3.086) 6.881 7.862 ( -7.731 3.061 -1.596) 8.467 8.153 ( 6.015 8.440 3.451) 10.924 8.255 ( -13.116 -3.217 -0.743) 13.525 8.638 ( 1.338 9.174 0.105) 9.271 8.804 ( -0.587 3.039 -0.284) 3.108 8.985 ( 1.301 -3.503 -2.179) 4.325 9.083 ( -2.052 -1.485 0.527) 2.587 9.273 ( 0.088 -2.268 -0.618) 2.352 9.329 ( 5.602 -2.009 -1.279) 6.087 9.417 ( -1.683 -0.225 0.566) 1.789 11.654 ( 3.609 6.378 -0.078) 7.328 12.151 ( -7.184 4.121 -1.889) 8.494 12.754 ( 4.397 -15.162 1.332) 15.843 12.911 ( 2.546 -7.525 0.285) 7.949 13.492 ( 0.304 14.144 -1.837) 14.266 13.672 ( -3.942 5.714 -0.450) 6.957 14.129 ( 5.119 -2.815 -0.963) 5.921 14.540 ( -0.322 -10.539 -3.357) 11.065 18.223 ( 4.528 6.191 5.336) 9.343 18.924 ( -12.058 27.131 -6.814) 30.461 19.087 ( 5.705 -4.457 -1.338) 7.363 19.663 ( 5.873 8.744 2.495) 10.824 19.952 ( -10.369 -3.215 -7.245) 13.051 20.328 ( -4.976 1.987 5.785) 7.886 20.455 ( 1.807 1.306 2.504) 3.353 21.387 ( -9.408 -10.064 -9.204) 16.568 23.450 ( 3.273 0.585 -0.587) 3.376 23.500 ( 4.081 -0.223 0.312) 4.099 23.865 ( -2.358 -0.781 4.972) 5.558 23.935 ( -8.918 -2.817 13.792) 16.664 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 8.616 6.472 0.978) 10.820 0.917 ( 3.607 6.191 3.887) 8.152 1.136 ( -0.433 9.777 3.913) 10.539 1.282 ( 10.500 3.344 0.920) 11.058 1.382 ( -3.207 2.224 0.841) 3.992 1.480 ( 4.475 5.674 4.622) 8.578 1.484 ( 7.435 3.486 3.511) 8.931 1.515 ( 3.019 -3.769 -0.446) 4.850 1.621 ( -0.803 0.885 0.414) 1.264 1.659 ( -1.640 -1.803 -0.314) 2.458 1.818 ( -3.869 -0.593 -2.761) 4.790 1.861 ( -5.293 -3.248 -3.938) 7.354 1.951 ( -6.514 11.479 0.532) 13.209 2.197 ( -15.655 17.475 -0.640) 23.470 2.532 ( 7.090 2.352 2.023) 7.739 2.689 ( 2.329 -1.614 -2.654) 3.882 2.813 ( -1.974 -0.821 -1.664) 2.709 3.063 ( -6.711 0.490 -3.032) 7.381 3.231 ( 0.704 10.204 6.503) 12.121 3.423 ( -3.923 1.551 2.070) 4.698 3.798 ( 15.425 0.692 1.560) 15.519 3.986 ( 10.543 -6.099 -2.595) 12.453 4.215 ( -0.289 -7.161 -4.957) 8.714 4.278 ( -2.509 -11.351 0.680) 11.645 4.415 ( 1.526 -6.186 3.585) 7.311 4.508 ( 10.469 -0.497 -1.286) 10.559 4.676 ( -10.353 5.333 1.360) 11.725 4.988 ( -10.563 -1.687 -2.556) 10.998 7.155 ( 10.944 0.624 4.909) 12.011 7.518 ( 5.334 -5.303 0.626) 7.548 7.665 ( -9.994 1.406 2.735) 10.457 7.977 ( -13.460 -4.134 -0.604) 14.094 8.339 ( 11.471 6.847 2.025) 13.512 8.667 ( 1.613 10.431 0.217) 10.558 8.761 ( -3.007 8.339 -0.312) 8.870 8.859 ( -10.978 2.191 -0.985) 11.238 9.158 ( 5.971 -9.055 0.307) 10.851 9.273 ( -0.168 -5.043 -0.507) 5.071 9.407 ( 2.156 -0.268 -1.436) 2.604 9.424 ( 1.165 -0.079 -0.829) 1.432 11.743 ( 5.161 6.461 0.776) 8.306 12.002 ( -7.259 5.347 0.261) 9.020 12.844 ( 4.133 -16.532 -0.714) 17.056 12.938 ( 0.003 -12.423 -0.632) 12.439 13.509 ( 1.372 14.863 -1.971) 15.056 13.601 ( -3.040 10.315 -1.209) 10.821 14.251 ( 6.446 -3.655 -2.604) 7.854 14.488 ( -4.299 -7.318 -3.618) 9.226 18.340 ( 6.924 8.644 4.105) 11.811 18.693 ( -10.337 19.561 -0.313) 22.127 19.247 ( 9.449 -5.338 -2.316) 11.097 19.712 ( -12.360 -3.146 -5.389) 13.846 19.807 ( 7.755 7.173 2.739) 10.913 20.156 ( -8.929 3.701 6.492) 11.643 20.631 ( 11.415 -3.915 -5.258) 13.163 21.153 ( -12.956 -9.940 -7.894) 18.138 23.530 ( 4.548 0.635 0.705) 4.646 23.591 ( 4.590 -0.309 1.006) 4.710 23.780 ( -6.361 -0.836 7.875) 10.158 23.803 ( -3.866 -1.052 4.609) 6.107 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -5.841 7.509 2.377) 9.806 0.875 ( 5.841 7.509 2.377) 9.806 1.242 ( -8.311 4.818 4.824) 10.749 1.242 ( 8.311 4.818 4.824) 10.749 1.502 ( -9.009 0.587 0.266) 9.032 1.502 ( 9.009 0.587 0.266) 9.032 1.580 ( -1.570 0.593 2.499) 3.010 1.580 ( 1.570 0.593 2.499) 3.010 1.605 ( -2.937 -1.767 -0.786) 3.517 1.605 ( 2.937 -1.767 -0.786) 3.517 1.744 ( -3.483 8.800 -1.354) 9.561 1.744 ( 3.483 8.800 -1.354) 9.561 1.966 ( -5.837 9.436 -1.472) 11.193 1.966 ( 5.837 9.436 -1.472) 11.193 2.662 ( -5.108 -2.226 -1.059) 5.672 2.662 ( 5.108 -2.226 -1.059) 5.672 2.879 ( -8.352 3.673 -1.232) 9.207 2.879 ( 8.352 3.673 -1.232) 9.207 3.321 ( -5.657 4.693 3.119) 7.985 3.321 ( 5.657 4.693 3.119) 7.985 4.098 ( -11.289 -5.155 1.097) 12.459 4.098 ( 11.289 -5.155 1.097) 12.459 4.162 ( -3.646 -6.773 -3.097) 8.293 4.162 ( 3.646 -6.773 -3.097) 8.293 4.494 ( -5.925 -0.703 2.386) 6.426 4.494 ( 5.925 -0.703 2.386) 6.426 4.756 ( -11.931 -1.556 -2.150) 12.222 4.756 ( 11.931 -1.556 -2.150) 12.222 7.393 ( -12.113 0.635 3.774) 12.703 7.393 ( 12.113 0.635 3.774) 12.703 7.726 ( -10.750 -4.803 0.333) 11.778 7.726 ( 10.750 -4.803 0.333) 11.778 8.594 ( -12.842 3.906 0.352) 13.427 8.594 ( 12.842 3.906 0.352) 13.427 8.713 ( -2.528 10.802 0.125) 11.095 8.713 ( 2.528 10.802 0.125) 11.095 9.248 ( -2.667 -7.430 -0.436) 7.906 9.248 ( 2.667 -7.430 -0.436) 7.906 9.433 ( -0.491 -0.240 -1.251) 1.365 9.433 ( 0.491 -0.240 -1.251) 1.365 11.862 ( -6.461 6.095 1.056) 8.945 11.862 ( 6.461 6.095 1.056) 8.945 12.912 ( -2.417 -15.750 -1.250) 15.984 12.912 ( 2.417 -15.750 -1.250) 15.984 13.547 ( -2.311 13.696 -1.721) 13.996 13.547 ( 2.311 13.696 -1.721) 13.996 14.380 ( -6.071 -5.083 -3.255) 8.561 14.380 ( 6.071 -5.083 -3.255) 8.561 18.500 ( -8.750 12.778 2.456) 15.680 18.500 ( 8.750 12.778 2.456) 15.680 19.463 ( -11.693 -3.942 -3.740) 12.893 19.463 ( 11.693 -3.942 -3.740) 12.893 19.977 ( -8.701 5.394 3.926) 10.965 19.977 ( 8.701 5.394 3.926) 10.965 20.884 ( -13.215 -7.681 -6.833) 16.742 20.884 ( 13.215 -7.681 -6.833) 16.742 23.624 ( -3.741 0.471 2.245) 4.388 23.624 ( 3.741 0.471 2.245) 4.388 23.723 ( -2.952 -1.060 4.173) 5.220 23.723 ( 2.952 -1.060 4.173) 5.220 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.000 6.063 10.607) 12.218 0.513 ( 0.000 17.528 -6.620) 18.737 0.780 ( 0.000 -8.334 6.117) 10.338 1.150 ( 0.000 -12.030 -4.840) 12.967 1.214 ( 0.000 17.085 9.566) 19.581 1.445 ( 0.000 8.294 -1.420) 8.414 1.479 ( 0.000 0.928 0.142) 0.939 1.596 ( 0.000 -3.842 -2.508) 4.588 1.661 ( 0.000 -0.090 4.699) 4.699 1.687 ( 0.000 -1.231 -1.169) 1.697 1.725 ( 0.000 -3.873 -4.370) 5.839 1.855 ( 0.000 -11.184 -0.669) 11.204 2.479 ( 0.000 10.462 1.081) 10.517 2.605 ( 0.000 -0.740 1.736) 1.887 2.671 ( 0.000 11.502 -10.106) 15.311 2.951 ( 0.000 12.962 -1.745) 13.079 3.039 ( 0.000 7.500 4.485) 8.738 3.153 ( 0.000 0.505 -1.633) 1.710 3.404 ( 0.000 4.156 2.423) 4.810 3.427 ( 0.000 -7.126 -8.858) 11.368 3.465 ( 0.000 2.770 0.220) 2.779 3.713 ( 0.000 -4.748 -2.335) 5.292 3.912 ( 0.000 -6.493 1.949) 6.779 4.090 ( 0.000 -10.268 2.188) 10.499 4.106 ( 0.000 1.186 -1.891) 2.232 4.250 ( 0.000 -5.729 2.397) 6.211 5.209 ( 0.000 3.154 -1.742) 3.603 5.305 ( 0.000 -2.605 -0.872) 2.747 6.889 ( 0.000 6.337 6.396) 9.004 7.201 ( 0.000 -8.217 8.516) 11.834 8.125 ( 0.000 11.424 -0.991) 11.467 8.305 ( 0.000 10.601 -3.120) 11.051 8.493 ( 0.000 -2.265 -6.367) 6.758 8.619 ( 0.000 -6.532 -3.047) 7.208 8.796 ( 0.000 3.978 0.457) 4.005 9.020 ( 0.000 -5.481 -1.172) 5.604 9.099 ( 0.000 2.849 -1.050) 3.036 9.155 ( 0.000 2.669 1.668) 3.147 9.244 ( 0.000 -2.081 -1.376) 2.495 9.385 ( 0.000 -9.704 0.755) 9.733 11.731 ( 0.000 9.922 -1.370) 10.016 12.214 ( 0.000 -11.302 -5.387) 12.520 12.582 ( 0.000 0.890 4.963) 5.042 12.728 ( 0.000 -3.950 2.147) 4.496 13.758 ( 0.000 12.644 -1.252) 12.705 13.807 ( 0.000 2.855 -1.761) 3.354 13.988 ( 0.000 -6.020 5.501) 8.155 14.198 ( 0.000 -7.658 0.351) 7.666 18.263 ( 0.000 8.279 5.083) 9.715 18.705 ( 0.000 -12.205 0.650) 12.223 19.593 ( 0.000 9.422 -4.492) 10.439 19.996 ( 0.000 -9.113 -7.217) 11.624 20.080 ( 0.000 15.905 -15.794) 22.415 20.299 ( 0.000 1.522 -0.791) 1.715 21.179 ( 0.000 1.801 -5.667) 5.947 21.278 ( 0.000 -2.953 -6.423) 7.070 23.395 ( 0.000 0.393 -0.062) 0.398 23.402 ( 0.000 0.003 0.034) 0.034 23.909 ( 0.000 0.753 7.675) 7.712 24.057 ( 0.000 -8.671 15.909) 18.118 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 6.918 16.154 -7.866) 19.253 0.738 ( 16.812 4.649 5.082) 18.168 0.882 ( 8.555 -3.713 4.996) 10.579 1.177 ( 2.524 -11.226 -4.573) 12.382 1.248 ( 3.597 15.491 9.405) 18.476 1.422 ( -1.309 6.541 -1.568) 6.852 1.483 ( -0.642 2.468 -0.513) 2.601 1.586 ( -0.378 -2.443 -1.932) 3.137 1.646 ( -1.337 -0.008 4.343) 4.545 1.679 ( -0.772 -1.406 -0.653) 1.732 1.736 ( 0.787 -4.057 -3.470) 5.396 1.844 ( -0.942 -10.527 -0.432) 10.578 2.492 ( 1.124 7.851 0.820) 7.973 2.554 ( -5.035 2.946 1.266) 5.970 2.681 ( 1.020 11.128 -8.601) 14.101 2.950 ( -0.765 11.861 -3.350) 12.348 3.018 ( -0.624 7.660 0.913) 7.739 3.229 ( -12.834 4.030 -1.756) 13.566 3.270 ( 8.864 -0.667 -1.628) 9.037 3.400 ( 1.059 1.137 0.191) 1.565 3.527 ( 3.410 0.865 2.120) 4.108 3.784 ( 1.892 -10.962 -4.426) 11.973 3.945 ( 3.035 -7.314 1.634) 8.086 3.992 ( -6.200 0.767 -0.365) 6.257 4.128 ( 3.396 -7.325 3.918) 8.974 4.275 ( 0.849 -5.885 1.969) 6.264 5.159 ( -5.029 3.603 -1.366) 6.335 5.259 ( -4.305 -2.235 -1.321) 5.027 6.911 ( 2.583 5.610 5.926) 8.560 7.225 ( 1.999 -8.706 6.022) 10.773 8.134 ( -3.509 10.575 -4.434) 11.992 8.256 ( 0.163 8.792 0.831) 8.833 8.433 ( -8.626 -2.688 -3.021) 9.527 8.599 ( 2.220 -6.753 -3.125) 7.765 8.814 ( 2.188 6.473 0.388) 6.844 9.072 ( 0.423 1.367 -1.846) 2.336 9.125 ( 0.914 -0.092 -0.228) 0.946 9.139 ( 2.752 0.213 1.484) 3.134 9.235 ( -1.553 -3.960 -0.470) 4.279 9.374 ( -0.399 -6.482 -0.141) 6.496 11.759 ( 2.581 10.068 -1.313) 10.476 12.230 ( 1.244 -9.082 -5.816) 10.856 12.532 ( -3.763 -0.195 5.684) 6.819 12.740 ( 0.352 -6.221 1.859) 6.502 13.753 ( -0.217 10.924 -2.052) 11.118 13.818 ( 0.719 6.283 -0.393) 6.336 13.988 ( 1.173 -4.642 2.022) 5.197 14.253 ( 3.880 -10.389 0.185) 11.091 18.296 ( 3.262 8.916 4.755) 10.618 18.750 ( 4.440 -12.025 0.369) 12.824 19.578 ( -2.436 10.076 -7.125) 12.579 19.935 ( -5.147 -1.853 -6.906) 8.810 20.061 ( -2.284 12.683 -13.391) 18.585 20.318 ( 1.787 0.808 -1.306) 2.357 20.858 ( -20.911 9.370 4.917) 23.436 21.294 ( -4.815 -10.835 -7.820) 14.203 23.411 ( 1.744 0.591 -0.115) 1.845 23.429 ( 2.347 -0.217 0.130) 2.361 23.894 ( -1.496 0.259 7.031) 7.193 23.995 ( -5.213 -5.799 14.019) 16.041 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 10.098 13.515 -8.080) 18.706 1.024 ( 8.190 7.534 2.372) 11.378 1.089 ( 12.519 0.642 3.129) 12.920 1.243 ( 3.587 -8.273 -3.551) 9.691 1.367 ( 7.140 8.385 5.415) 12.273 1.404 ( -0.284 6.091 0.847) 6.156 1.460 ( -0.186 2.433 -0.800) 2.568 1.581 ( -1.304 1.202 1.402) 2.261 1.622 ( -0.215 -1.439 2.198) 2.635 1.654 ( -1.719 -1.522 -0.096) 2.298 1.752 ( 0.774 -4.195 -2.310) 4.851 1.818 ( -1.599 -8.174 -0.041) 8.329 2.414 ( -7.892 8.725 2.033) 11.939 2.519 ( 1.418 3.578 -0.868) 3.945 2.700 ( -0.806 6.907 -8.101) 10.676 2.888 ( -7.766 15.223 0.985) 17.118 2.909 ( -7.882 8.631 -6.313) 13.284 3.084 ( 0.249 2.205 -4.664) 5.165 3.420 ( 5.552 4.100 0.954) 6.968 3.507 ( 3.637 3.942 5.442) 7.641 3.610 ( 7.494 -2.744 1.516) 8.123 3.721 ( -2.545 -2.290 -0.116) 3.426 3.961 ( 1.276 -12.782 -0.804) 12.871 4.009 ( 2.466 -10.520 0.858) 10.839 4.244 ( 7.100 -5.646 4.970) 10.344 4.283 ( 1.337 -4.411 0.291) 4.618 5.008 ( -9.611 4.580 -0.607) 10.663 5.135 ( -7.950 -2.229 -1.912) 8.475 7.006 ( 6.857 3.855 4.779) 9.205 7.280 ( 3.776 -8.332 2.546) 9.495 7.958 ( -11.289 6.142 -3.070) 13.213 8.185 ( -14.187 -3.844 -1.835) 14.812 8.348 ( 6.617 10.066 1.840) 12.186 8.727 ( 8.885 -6.878 -0.423) 11.244 8.858 ( 1.772 9.492 0.181) 9.658 9.050 ( -1.809 7.672 -0.885) 7.932 9.078 ( -3.936 1.469 -0.084) 4.202 9.186 ( -2.159 -5.464 -0.130) 5.877 9.257 ( 5.243 -4.904 0.126) 7.180 9.379 ( 0.634 -4.116 -0.897) 4.260 11.828 ( 4.124 10.616 -0.698) 11.410 12.232 ( -1.911 0.894 -4.474) 4.947 12.479 ( -0.428 -8.743 4.617) 9.897 12.725 ( -1.896 -10.232 1.142) 10.469 13.758 ( 0.788 10.773 -2.774) 11.152 13.828 ( 0.220 10.327 0.061) 10.330 14.048 ( 4.323 -5.153 -1.436) 6.878 14.310 ( 1.334 -11.731 -1.143) 11.862 18.397 ( 6.724 10.675 3.802) 13.177 18.880 ( 8.238 -11.267 -0.504) 13.966 19.432 ( -12.492 16.343 -10.064) 22.900 19.822 ( -6.802 -4.264 -5.260) 9.597 20.000 ( -1.868 17.404 -5.819) 18.446 20.357 ( 0.455 -0.140 -0.685) 0.834 20.517 ( -9.588 6.183 8.093) 13.988 21.113 ( -11.533 -16.563 -5.663) 20.963 23.465 ( 3.451 0.837 0.088) 3.552 23.493 ( 3.894 -0.459 0.598) 3.966 23.849 ( -2.887 -0.630 5.643) 6.370 23.879 ( -5.871 -2.326 9.987) 11.816 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 9.575 10.981 -5.575) 15.599 1.113 ( 1.118 10.669 0.185) 10.729 1.296 ( 2.205 3.175 0.488) 3.896 1.327 ( 9.666 0.431 0.967) 9.723 1.395 ( 1.816 -3.462 -2.053) 4.415 1.439 ( -1.553 1.964 0.050) 2.504 1.545 ( -0.114 0.247 2.026) 2.044 1.561 ( 6.137 4.589 6.252) 9.890 1.604 ( -2.124 -2.858 1.448) 3.844 1.633 ( -0.391 0.503 -0.201) 0.668 1.766 ( 0.423 -3.849 -1.406) 4.120 1.786 ( -1.228 -4.405 -0.117) 4.574 2.277 ( -4.209 14.905 1.709) 15.582 2.507 ( -10.715 9.445 -2.272) 14.463 2.572 ( -0.027 -1.294 -2.107) 2.473 2.748 ( -5.716 3.343 -6.689) 9.412 2.883 ( 3.524 14.289 -3.549) 15.139 3.078 ( -2.309 6.252 -7.805) 10.264 3.439 ( -1.219 7.829 6.405) 10.188 3.506 ( -1.649 4.825 5.691) 7.641 3.784 ( 9.135 -3.419 1.027) 9.808 3.837 ( 8.523 -8.428 -0.060) 11.986 3.982 ( 0.313 -14.385 -0.888) 14.415 4.029 ( -0.947 -11.376 3.032) 11.811 4.323 ( 5.805 -1.953 1.309) 6.263 4.451 ( 11.137 -4.803 0.776) 12.154 4.780 ( -12.555 4.824 0.153) 13.450 4.940 ( -11.113 -3.014 -1.672) 11.636 7.186 ( 10.653 2.656 3.513) 11.527 7.395 ( 7.694 -6.691 0.433) 10.206 7.708 ( -12.975 3.236 0.050) 13.372 7.888 ( -14.579 -4.610 -1.113) 15.330 8.511 ( 9.273 9.751 1.583) 13.549 8.850 ( -2.075 3.248 -1.579) 4.165 8.921 ( 6.656 4.231 0.832) 7.931 8.976 ( -3.339 4.451 0.884) 5.634 9.018 ( -1.189 5.923 -0.733) 6.086 9.150 ( -2.025 -6.435 -0.204) 6.749 9.339 ( 2.848 -5.768 -0.442) 6.448 9.388 ( 0.032 -4.442 -0.983) 4.549 11.923 ( 5.173 11.087 0.285) 12.238 12.151 ( -5.385 8.949 -0.457) 10.454 12.516 ( 3.314 -15.504 0.681) 15.869 12.668 ( -3.447 -13.679 0.119) 14.107 13.783 ( 1.504 11.814 -2.742) 12.221 13.827 ( -0.364 12.138 -0.898) 12.176 14.146 ( 4.993 -6.649 -2.478) 8.677 14.303 ( -1.911 -10.515 -2.176) 10.907 18.570 ( 10.332 13.355 2.190) 17.027 19.065 ( 4.650 -1.720 -3.624) 6.141 19.142 ( -9.234 11.164 -2.932) 14.781 19.614 ( -12.823 -6.652 -5.672) 15.520 20.033 ( 4.197 15.035 0.507) 15.618 20.262 ( -6.519 6.833 4.538) 10.477 20.522 ( 5.624 -6.511 -2.545) 8.972 20.874 ( -11.277 -17.142 -4.440) 20.994 23.547 ( 4.536 0.977 1.082) 4.765 23.582 ( 4.670 -0.601 1.321) 4.890 23.763 ( -5.453 -0.623 6.455) 8.472 23.778 ( -4.033 -1.197 4.004) 5.807 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -5.709 10.525 -3.279) 12.415 1.063 ( 5.709 10.525 -3.279) 12.415 1.358 ( -4.324 5.619 3.321) 7.830 1.358 ( 4.324 5.619 3.321) 7.829 1.449 ( -0.373 -5.487 -1.805) 5.788 1.449 ( 0.373 -5.487 -1.805) 5.788 1.554 ( -2.789 -2.506 0.698) 3.814 1.554 ( 2.789 -2.506 0.698) 3.814 1.627 ( -0.331 3.294 3.285) 4.663 1.627 ( 0.331 3.294 3.285) 4.663 1.772 ( -0.627 -2.536 -0.609) 2.682 1.772 ( 0.627 -2.536 -0.609) 2.682 2.296 ( -6.604 15.574 0.510) 16.924 2.296 ( 6.604 15.574 0.510) 16.924 2.637 ( -4.728 -2.666 -4.938) 7.338 2.637 ( 4.728 -2.666 -4.938) 7.338 2.987 ( -5.695 11.837 -5.972) 14.430 2.987 ( 5.695 11.837 -5.972) 14.430 3.457 ( -2.463 6.280 6.101) 9.095 3.457 ( 2.463 6.280 6.101) 9.095 3.929 ( -2.163 -12.857 0.232) 13.040 3.929 ( 2.163 -12.857 0.232) 13.040 3.978 ( -1.615 -8.169 1.559) 8.471 3.978 ( 1.615 -8.169 1.559) 8.471 4.518 ( -12.375 2.963 0.708) 12.744 4.518 ( 12.375 2.964 0.708) 12.744 4.696 ( -12.492 -4.224 -0.599) 13.201 4.696 ( 12.492 -4.224 -0.599) 13.201 7.425 ( -12.083 2.704 1.526) 12.475 7.425 ( 12.083 2.704 1.526) 12.475 7.615 ( -11.355 -5.832 0.141) 12.766 7.615 ( 11.355 -5.832 0.141) 12.766 8.708 ( -9.557 7.368 0.401) 12.074 8.708 ( 9.557 7.368 0.401) 12.074 8.964 ( -1.271 11.929 -0.593) 12.011 8.964 ( 1.271 11.929 -0.593) 12.011 9.082 ( -4.907 -7.945 0.539) 9.354 9.082 ( 4.907 -7.945 0.539) 9.354 9.377 ( -1.117 -5.364 -0.928) 5.557 9.377 ( 1.117 -5.364 -0.928) 5.557 12.035 ( -5.777 10.873 0.771) 12.337 12.035 ( 5.777 10.873 0.771) 12.337 12.592 ( -3.945 -15.752 -0.470) 16.246 12.592 ( 3.945 -15.752 -0.470) 16.246 13.811 ( -1.165 12.452 -1.986) 12.663 13.811 ( 1.165 12.452 -1.986) 12.663 14.240 ( -4.094 -8.521 -2.592) 9.802 14.240 ( 4.094 -8.521 -2.592) 9.802 18.814 ( -13.688 16.804 -0.512) 21.680 18.814 ( 13.688 16.804 -0.512) 21.680 19.342 ( -13.376 -8.249 -3.413) 16.081 19.342 ( 13.376 -8.249 -3.413) 16.081 20.138 ( -5.776 10.548 2.372) 12.258 20.138 ( 5.776 10.548 2.372) 12.258 20.670 ( -8.736 -13.002 -4.044) 16.178 20.670 ( 8.736 -13.002 -4.044) 16.178 23.639 ( -3.263 0.997 2.382) 4.161 23.639 ( 3.263 0.997 2.382) 4.161 23.695 ( -2.858 -1.560 3.457) 4.749 23.695 ( 2.858 -1.560 3.457) 4.749 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 -8.688 7.474) 11.461 0.596 ( 0.000 8.688 7.474) 11.461 0.862 ( 0.000 -16.207 -6.954) 17.636 0.862 ( 0.000 16.207 -6.954) 17.636 1.510 ( 0.000 -5.880 -0.854) 5.942 1.510 ( 0.000 5.880 -0.854) 5.942 1.556 ( 0.000 -8.936 4.058) 9.814 1.556 ( 0.000 8.936 4.058) 9.814 1.609 ( 0.000 -3.573 -1.653) 3.937 1.609 ( 0.000 3.573 -1.653) 3.937 1.689 ( 0.000 -0.615 1.365) 1.498 1.689 ( 0.000 0.615 1.365) 1.498 2.567 ( 0.000 -2.465 0.396) 2.497 2.567 ( 0.000 2.465 0.396) 2.497 3.002 ( 0.000 -14.652 -13.300) 19.788 3.002 ( 0.000 14.652 -13.300) 19.788 3.134 ( 0.000 -0.271 0.319) 0.419 3.134 ( 0.000 0.271 0.319) 0.419 3.394 ( 0.000 -5.465 -1.246) 5.605 3.394 ( 0.000 5.465 -1.246) 5.605 3.566 ( 0.000 -6.651 -1.521) 6.823 3.566 ( 0.000 6.651 -1.521) 6.823 3.892 ( 0.000 -6.166 9.898) 11.662 3.892 ( 0.000 6.166 9.898) 11.662 4.162 ( 0.000 -3.753 -1.215) 3.945 4.162 ( 0.000 3.753 -1.215) 3.945 5.261 ( 0.000 -2.116 -1.899) 2.843 5.261 ( 0.000 2.116 -1.899) 2.843 7.036 ( 0.000 -7.990 7.579) 11.013 7.036 ( 0.000 7.990 7.579) 11.013 8.353 ( 0.000 -10.438 -5.058) 11.599 8.353 ( 0.000 10.438 -5.058) 11.599 8.497 ( 0.000 -7.323 -2.203) 7.648 8.497 ( 0.000 7.323 -2.203) 7.648 8.892 ( 0.000 -5.972 -0.163) 5.975 8.892 ( 0.000 5.972 -0.163) 5.975 9.162 ( 0.000 -4.051 -0.187) 4.056 9.162 ( 0.000 4.051 -0.187) 4.056 9.244 ( 0.000 -5.500 0.876) 5.570 9.244 ( 0.000 5.500 0.876) 5.570 11.961 ( 0.000 -12.581 -2.599) 12.847 11.961 ( 0.000 12.581 -2.599) 12.847 12.643 ( 0.000 -4.158 2.843) 5.037 12.643 ( 0.000 4.158 2.843) 5.037 13.872 ( 0.000 -3.224 -0.137) 3.227 13.872 ( 0.000 3.224 -0.137) 3.227 14.015 ( 0.000 -9.976 0.508) 9.989 14.015 ( 0.000 9.976 0.508) 9.989 18.463 ( 0.000 -11.325 2.972) 11.708 18.463 ( 0.000 11.325 2.972) 11.708 19.795 ( 0.000 -10.409 -5.171) 11.622 19.795 ( 0.000 10.409 -5.171) 11.622 20.274 ( 0.000 -4.661 -4.593) 6.544 20.274 ( 0.000 4.661 -4.593) 6.544 21.222 ( 0.000 -2.509 -7.859) 8.250 21.222 ( 0.000 2.509 -7.859) 8.250 23.401 ( 0.000 -0.172 0.159) 0.234 23.401 ( 0.000 0.172 0.159) 0.234 23.946 ( 0.000 -3.212 10.407) 10.891 23.946 ( 0.000 3.212 10.407) 10.891 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 13.536 -7.173 2.505) 15.522 0.772 ( 13.536 7.173 2.505) 15.522 0.912 ( 5.118 -13.499 -5.056) 15.296 0.912 ( 5.118 13.499 -5.056) 15.296 1.497 ( -0.944 -1.283 -1.150) 1.965 1.497 ( -0.944 1.283 -1.150) 1.965 1.568 ( 0.779 -10.862 3.246) 11.363 1.568 ( 0.779 10.862 3.246) 11.363 1.611 ( 0.330 -6.040 -0.372) 6.061 1.611 ( 0.330 6.040 -0.372) 6.061 1.681 ( -0.692 -0.304 1.672) 1.834 1.681 ( -0.692 0.304 1.672) 1.834 2.552 ( -1.471 -1.760 0.401) 2.328 2.552 ( -1.471 1.760 0.401) 2.328 2.975 ( -3.211 -11.949 -13.323) 18.182 2.975 ( -3.211 11.949 -13.323) 18.182 3.175 ( 3.056 -1.741 -0.346) 3.534 3.175 ( 3.056 1.741 -0.346) 3.534 3.408 ( 2.759 -2.918 1.214) 4.195 3.408 ( 2.759 2.918 1.214) 4.195 3.545 ( -1.856 -7.799 -2.463) 8.386 3.545 ( -1.856 7.799 -2.463) 8.386 3.893 ( -0.295 -6.614 9.313) 11.427 3.893 ( -0.295 6.614 9.313) 11.427 4.162 ( 0.547 -5.901 -0.208) 5.930 4.162 ( 0.547 5.901 -0.208) 5.930 5.217 ( -4.380 -2.296 -1.746) 5.244 5.217 ( -4.380 2.296 -1.746) 5.244 7.051 ( 1.747 -8.130 6.100) 10.313 7.051 ( 1.747 8.130 6.100) 10.313 8.330 ( -8.006 -7.908 -4.820) 12.242 8.330 ( -8.006 7.908 -4.820) 12.242 8.436 ( 1.651 -8.821 -0.723) 9.003 8.436 ( 1.651 8.821 -0.723) 9.003 8.965 ( 5.120 -7.843 -0.243) 9.370 8.965 ( 5.120 7.843 -0.243) 9.370 9.153 ( -0.950 -3.138 -0.218) 3.286 9.153 ( -0.950 3.138 -0.218) 3.286 9.246 ( 0.292 -6.531 0.600) 6.565 9.246 ( 0.292 6.531 0.600) 6.565 11.991 ( 2.800 -12.569 -2.596) 13.136 11.991 ( 2.800 12.569 -2.596) 13.136 12.611 ( -3.061 -6.070 2.916) 7.397 12.611 ( -3.061 6.070 2.916) 7.397 13.883 ( 1.268 -4.705 -0.959) 4.966 13.883 ( 1.268 4.705 -0.959) 4.966 14.036 ( 1.744 -11.152 0.318) 11.292 14.036 ( 1.744 11.152 0.318) 11.292 18.506 ( 4.281 -11.690 2.655) 12.729 18.506 ( 4.281 11.690 2.655) 12.729 19.774 ( -2.416 -9.533 -6.080) 11.562 19.774 ( -2.416 9.533 -6.080) 11.562 20.276 ( 0.226 -5.716 -4.606) 7.345 20.276 ( 0.226 5.716 -4.606) 7.345 21.070 ( -13.626 -11.176 -4.455) 18.178 21.070 ( -13.626 11.176 -4.455) 18.178 23.422 ( 2.041 -0.445 0.244) 2.103 23.422 ( 2.041 0.445 0.244) 2.103 23.917 ( -2.638 -2.286 9.358) 9.988 23.917 ( -2.638 2.286 9.358) 9.988 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 7.782 -13.942 -6.692) 17.312 0.988 ( 7.782 13.942 -6.692) 17.312 1.102 ( 11.791 -1.322 1.628) 11.976 1.102 ( 11.791 1.322 1.628) 11.976 1.476 ( -1.199 -1.244 -1.861) 2.539 1.476 ( -1.199 1.244 -1.861) 2.539 1.575 ( -0.405 -3.567 -0.669) 3.652 1.575 ( -0.405 3.567 -0.669) 3.652 1.625 ( 0.929 -6.023 5.232) 8.032 1.625 ( 0.929 6.023 5.232) 8.032 1.674 ( 0.550 -2.323 1.792) 2.985 1.674 ( 0.550 2.323 1.792) 2.985 2.512 ( -2.228 -2.832 -0.056) 3.603 2.512 ( -2.228 2.832 -0.056) 3.603 2.854 ( -8.451 -7.441 -10.651) 15.499 2.854 ( -8.451 7.441 -10.651) 15.499 3.227 ( 2.306 -5.400 -1.077) 5.970 3.227 ( 2.306 5.400 -1.077) 5.970 3.482 ( -1.685 -1.596 -2.749) 3.597 3.482 ( -1.685 1.596 -2.749) 3.597 3.559 ( 8.420 -7.158 1.742) 11.188 3.559 ( 8.420 7.158 1.742) 11.188 3.876 ( -1.076 -4.791 8.123) 9.492 3.876 ( -1.076 4.791 8.123) 9.492 4.207 ( 4.231 -2.475 1.103) 5.024 4.207 ( 4.231 2.475 1.103) 5.024 5.083 ( -8.695 -3.006 -1.310) 9.293 5.083 ( -8.695 3.006 -1.310) 9.293 7.118 ( 5.136 -7.166 3.619) 9.530 7.118 ( 5.136 7.166 3.619) 9.530 8.086 ( -13.898 -5.961 -2.964) 15.410 8.086 ( -13.898 5.961 -2.964) 15.410 8.549 ( 7.594 -9.749 0.514) 12.368 8.549 ( 7.594 9.749 0.514) 12.368 9.045 ( 1.765 -7.842 -0.627) 8.063 9.045 ( 1.765 7.842 -0.627) 8.063 9.129 ( -0.603 -3.171 -0.755) 3.315 9.129 ( -0.603 3.171 -0.755) 3.315 9.255 ( 0.398 -7.297 0.668) 7.338 9.255 ( 0.398 7.297 0.668) 7.338 12.068 ( 4.600 -12.563 -2.270) 13.570 12.068 ( 4.600 12.563 -2.270) 13.570 12.526 ( -5.140 -8.715 2.708) 10.474 12.526 ( -5.140 8.715 2.708) 10.474 13.925 ( 2.775 -6.950 -2.135) 7.782 13.925 ( 2.775 6.950 -2.135) 7.782 14.069 ( 1.145 -12.304 -0.428) 12.365 14.069 ( 1.145 12.304 -0.428) 12.365 18.635 ( 8.384 -12.523 1.708) 15.167 18.635 ( 8.384 12.523 1.708) 15.167 19.673 ( -8.264 -9.296 -7.527) 14.538 19.673 ( -8.264 9.296 -7.527) 14.538 20.287 ( 1.017 -7.892 -4.170) 8.984 20.287 ( 1.017 7.892 -4.170) 8.984 20.758 ( -14.954 -17.093 1.151) 22.740 20.758 ( -14.954 17.093 1.151) 22.740 23.481 ( 3.674 -0.717 0.602) 3.792 23.481 ( 3.674 0.717 0.602) 3.792 23.848 ( -3.961 -0.692 7.052) 8.118 23.848 ( -3.961 0.692 7.052) 8.118 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 7.384 -11.795 -5.513) 14.968 1.142 ( 7.384 11.795 -5.513) 14.968 1.285 ( 4.988 -5.352 -0.741) 7.353 1.285 ( 4.988 5.352 -0.741) 7.353 1.450 ( -0.711 -2.845 -0.927) 3.076 1.450 ( -0.711 2.845 -0.927) 3.076 1.543 ( -2.563 -2.346 0.809) 3.568 1.543 ( -2.563 2.346 0.809) 3.568 1.659 ( 2.476 -3.517 4.427) 6.172 1.659 ( 2.476 3.517 4.427) 6.172 1.699 ( 1.242 -2.336 2.169) 3.421 1.699 ( 1.242 2.336 2.169) 3.421 2.479 ( -0.418 -6.537 -1.559) 6.733 2.479 ( -0.418 6.537 -1.559) 6.733 2.666 ( -9.109 -6.889 -6.887) 13.336 2.666 ( -9.109 6.889 -6.887) 13.336 3.281 ( 3.029 -9.797 -1.923) 10.433 3.281 ( 3.029 9.797 -1.923) 10.433 3.421 ( -3.489 -7.014 -3.150) 8.444 3.421 ( -3.489 7.014 -3.150) 8.444 3.736 ( 7.021 -3.595 2.769) 8.360 3.736 ( 7.021 3.595 2.769) 8.360 3.858 ( -0.828 -5.393 6.299) 8.334 3.858 ( -0.828 5.393 6.299) 8.334 4.350 ( 10.127 -4.182 1.154) 11.017 4.350 ( 10.127 4.182 1.154) 11.017 4.869 ( -12.266 -4.001 -0.580) 12.915 4.869 ( -12.266 4.001 -0.580) 12.915 7.268 ( 9.647 -5.462 1.816) 11.233 7.268 ( 9.647 5.462 1.816) 11.233 7.792 ( -14.738 -4.772 -1.340) 15.549 7.792 ( -14.738 4.772 -1.340) 15.549 8.717 ( 8.487 -10.328 0.866) 13.395 8.717 ( 8.487 10.328 0.866) 13.395 9.004 ( -4.758 -6.316 -0.455) 7.921 9.004 ( -4.758 6.316 -0.455) 7.921 9.162 ( 2.873 -7.428 -1.185) 8.052 9.162 ( 2.873 7.428 -1.185) 8.052 9.252 ( -0.899 -7.052 0.608) 7.135 9.252 ( -0.899 7.052 0.608) 7.135 12.172 ( 5.534 -12.336 -1.279) 13.580 12.172 ( 5.534 12.336 -1.279) 13.580 12.411 ( -5.975 -10.527 1.753) 12.230 12.411 ( -5.975 10.527 1.753) 12.230 13.988 ( 3.174 -8.960 -2.529) 9.836 13.988 ( 3.174 8.960 -2.529) 9.836 14.075 ( -0.600 -12.031 -1.392) 12.127 14.075 ( -0.600 12.031 -1.392) 12.127 18.845 ( 12.227 -13.256 0.053) 18.034 18.845 ( 12.227 13.256 0.053) 18.034 19.435 ( -14.510 -11.608 -5.992) 19.524 19.435 ( -14.510 11.608 -5.992) 19.524 20.322 ( 2.453 -9.225 -2.791) 9.946 20.322 ( 2.453 9.225 -2.791) 9.946 20.517 ( -8.605 -14.867 1.979) 17.291 20.517 ( -8.605 14.867 1.979) 17.291 23.566 ( 4.630 -0.892 1.413) 4.922 23.566 ( 4.630 0.892 1.413) 4.922 23.761 ( -4.599 -0.415 4.696) 6.586 23.761 ( -4.599 0.415 4.696) 6.586 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -4.803 -9.761 -4.194) 11.659 1.273 ( 4.687 -9.747 -4.194) 11.600 1.273 ( -4.687 9.747 -4.194) 11.600 1.273 ( 4.803 9.761 -4.194) 11.659 1.483 ( -2.528 -4.612 1.939) 5.606 1.483 ( 1.392 -4.490 1.939) 5.085 1.483 ( -1.392 4.490 1.939) 5.085 1.483 ( 2.528 4.612 1.939) 5.606 1.703 ( -0.677 -3.906 2.719) 4.807 1.703 ( 0.405 -3.896 2.719) 4.769 1.703 ( -0.405 3.896 2.719) 4.769 1.703 ( 0.677 3.906 2.719) 4.807 2.519 ( -4.769 -8.131 -3.955) 10.222 2.519 ( 4.768 -8.131 -3.955) 10.222 2.519 ( -4.768 8.131 -3.955) 10.222 2.519 ( 4.769 8.131 -3.955) 10.222 3.348 ( -2.180 -18.274 -2.499) 18.573 3.348 ( 1.699 -18.262 -2.499) 18.510 3.348 ( -1.699 18.262 -2.499) 18.510 3.348 ( 2.180 18.274 -2.499) 18.573 3.828 ( -2.327 -5.249 4.195) 7.111 3.828 ( 2.073 -5.222 4.195) 7.012 3.828 ( -2.073 5.222 4.195) 7.012 3.828 ( 2.327 5.249 4.195) 7.111 4.600 ( -13.626 -4.819 0.356) 14.457 4.600 ( -13.599 4.800 0.356) 14.426 4.600 ( 13.599 -4.800 0.356) 14.426 4.600 ( 13.626 4.819 0.356) 14.457 7.503 ( -13.072 -4.826 0.295) 13.938 7.503 ( -9.486 1.752 0.295) 9.651 7.503 ( 9.486 -1.752 0.295) 9.651 7.503 ( 13.072 4.826 0.295) 13.938 8.879 ( -7.062 -9.245 0.125) 11.634 8.879 ( 6.151 -9.081 0.125) 10.968 8.879 ( -6.151 9.081 0.125) 10.968 8.879 ( 7.062 9.245 0.125) 11.634 9.218 ( -1.826 -10.234 -0.290) 10.400 9.218 ( 1.558 -10.223 -0.290) 10.345 9.218 ( -1.558 10.223 -0.290) 10.345 9.218 ( 1.826 10.234 -0.290) 10.400 12.289 ( -5.270 -14.014 0.233) 14.974 12.289 ( 4.430 -13.941 0.233) 14.630 12.289 ( -4.430 13.941 0.233) 14.630 12.289 ( 5.270 14.014 0.233) 14.974 14.045 ( -2.281 -10.744 -2.179) 11.198 14.045 ( 2.279 -10.744 -2.179) 11.197 14.045 ( -2.279 10.744 -2.179) 11.197 14.045 ( 2.281 10.744 -2.179) 11.198 19.125 ( -15.060 -13.324 -2.573) 20.272 19.125 ( 14.366 -13.131 -2.573) 19.632 19.125 ( -14.366 13.131 -2.573) 19.632 19.125 ( 15.060 13.324 -2.573) 20.272 20.390 ( -3.693 -13.902 -0.530) 14.394 20.390 ( 3.109 -13.867 -0.530) 14.221 20.390 ( -3.109 13.867 -0.530) 14.221 20.390 ( 3.693 13.902 -0.530) 14.394 23.664 ( -4.599 -1.203 2.778) 5.506 23.664 ( -3.920 0.001 2.778) 4.805 23.664 ( 3.920 -0.001 2.778) 4.805 23.664 ( 4.599 1.203 2.778) 5.506 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 0.000 13.843) 13.843 0.741 ( 0.000 0.000 14.515) 14.515 0.903 ( 0.000 0.000 22.691) 22.691 1.149 ( 0.000 0.000 2.779) 2.779 1.214 ( 0.000 0.000 0.588) 0.588 1.379 ( 0.000 0.000 -1.858) 1.858 1.478 ( 0.000 0.000 -4.817) 4.817 1.494 ( 0.000 0.000 -5.201) 5.201 1.575 ( 0.000 0.000 -5.331) 5.331 1.713 ( 0.000 0.000 -6.187) 6.187 1.803 ( 0.000 0.000 7.103) 7.103 1.922 ( 0.000 0.000 -9.607) 9.607 2.260 ( 0.000 0.000 13.156) 13.156 2.540 ( 0.000 0.000 3.547) 3.547 2.828 ( 0.000 0.000 2.662) 2.662 2.930 ( 0.000 0.000 7.696) 7.696 3.011 ( 0.000 0.000 5.490) 5.490 3.078 ( 0.000 0.000 2.903) 2.903 3.260 ( 0.000 0.000 -0.271) 0.271 3.424 ( 0.000 0.000 -4.536) 4.536 3.465 ( 0.000 0.000 -4.291) 4.291 3.486 ( 0.000 0.000 -3.985) 3.985 3.788 ( 0.000 0.000 -3.425) 3.425 4.121 ( 0.000 0.000 -6.314) 6.314 4.232 ( 0.000 0.000 1.096) 1.096 4.508 ( 0.000 0.000 -2.398) 2.398 5.087 ( 0.000 0.000 0.307) 0.307 5.389 ( 0.000 0.000 -6.298) 6.298 6.915 ( 0.000 0.000 9.170) 9.170 7.717 ( 0.000 0.000 16.646) 16.646 7.801 ( 0.000 0.000 -5.126) 5.126 8.007 ( 0.000 0.000 1.590) 1.590 8.433 ( 0.000 0.000 -4.155) 4.155 8.735 ( 0.000 0.000 2.128) 2.128 8.861 ( 0.000 0.000 -0.626) 0.626 8.893 ( 0.000 0.000 -0.584) 0.584 8.969 ( 0.000 0.000 -2.472) 2.472 9.011 ( 0.000 0.000 -7.096) 7.096 9.202 ( 0.000 0.000 3.693) 3.693 9.694 ( 0.000 0.000 -6.432) 6.432 11.506 ( 0.000 0.000 0.082) 0.082 12.114 ( 0.000 0.000 -11.469) 11.469 12.881 ( 0.000 0.000 3.796) 3.796 12.953 ( 0.000 0.000 7.827) 7.827 13.271 ( 0.000 0.000 -3.528) 3.528 13.643 ( 0.000 0.000 -6.112) 6.112 14.381 ( 0.000 0.000 1.408) 1.408 14.500 ( 0.000 0.000 -1.015) 1.015 18.287 ( 0.000 0.000 11.074) 11.074 18.723 ( 0.000 0.000 7.021) 7.021 18.959 ( 0.000 0.000 -3.992) 3.992 19.528 ( 0.000 0.000 5.164) 5.164 19.992 ( 0.000 0.000 -14.678) 14.678 20.066 ( 0.000 0.000 -5.526) 5.526 21.147 ( 0.000 0.000 0.966) 0.966 21.342 ( 0.000 0.000 -1.618) 1.618 23.373 ( 0.000 0.000 -0.097) 0.097 23.395 ( 0.000 0.000 -0.322) 0.322 24.076 ( 0.000 0.000 8.702) 8.702 24.649 ( 0.000 0.000 -4.035) 4.035 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 2.668 0.000 13.390) 13.653 0.755 ( 1.315 0.000 13.622) 13.685 1.085 ( 14.003 0.000 17.925) 22.747 1.125 ( -1.536 0.000 2.272) 2.743 1.201 ( -1.153 0.000 1.139) 1.621 1.385 ( -1.821 0.000 -3.196) 3.678 1.439 ( -1.596 0.000 -2.350) 2.841 1.475 ( -0.253 0.000 -4.535) 4.542 1.611 ( 2.040 0.000 -5.019) 5.418 1.709 ( -0.277 0.000 -6.221) 6.227 1.810 ( 0.596 0.000 8.204) 8.226 1.916 ( -0.826 0.000 -9.400) 9.436 2.259 ( -0.978 0.000 10.295) 10.341 2.422 ( -9.782 0.000 3.001) 10.232 2.767 ( -4.884 0.000 1.446) 5.093 2.826 ( -10.690 0.000 7.619) 13.127 2.999 ( 5.533 0.000 7.882) 9.630 3.091 ( -10.320 0.000 1.788) 10.474 3.265 ( 9.362 0.000 3.672) 10.056 3.387 ( 1.789 0.000 -0.493) 1.855 3.486 ( 0.554 0.000 -4.910) 4.941 3.725 ( 14.619 0.000 -8.194) 16.759 3.734 ( -4.007 0.000 -4.126) 5.752 4.119 ( 0.494 0.000 -6.900) 6.917 4.307 ( 6.137 0.000 1.494) 6.316 4.537 ( 2.394 0.000 -0.948) 2.575 5.025 ( -6.016 0.000 0.658) 6.052 5.310 ( -6.993 0.000 -4.965) 8.577 6.966 ( 4.916 0.000 9.028) 10.280 7.678 ( -3.055 0.000 14.174) 14.500 7.802 ( 0.070 0.000 -5.284) 5.285 8.055 ( 3.945 0.000 2.625) 4.738 8.462 ( 2.385 0.000 -3.397) 4.150 8.558 ( -12.940 0.000 -0.954) 12.975 8.835 ( -4.156 0.000 0.112) 4.157 8.946 ( 7.433 0.000 0.028) 7.433 8.992 ( 0.659 0.000 -3.570) 3.630 9.146 ( 8.895 0.000 -4.252) 9.859 9.218 ( 1.550 0.000 2.600) 3.027 9.609 ( -7.448 0.000 -3.583) 8.265 11.531 ( 2.423 0.000 0.516) 2.477 12.096 ( -1.784 0.000 -9.316) 9.485 12.899 ( 1.759 0.000 2.350) 2.935 12.983 ( 2.833 0.000 6.812) 7.378 13.258 ( -1.312 0.000 -3.616) 3.846 13.638 ( -1.284 0.000 -6.205) 6.337 14.241 ( -7.672 0.000 4.608) 8.950 14.559 ( 1.553 0.000 -4.235) 4.511 18.297 ( 1.004 0.000 10.765) 10.811 18.701 ( -2.059 0.000 6.335) 6.661 18.996 ( 3.431 0.000 -3.546) 4.934 19.561 ( 3.332 0.000 5.036) 6.038 19.935 ( -5.441 0.000 -13.965) 14.988 20.117 ( 4.868 0.000 -6.156) 7.848 20.928 ( -15.679 0.000 8.010) 17.606 21.374 ( -1.244 0.000 -7.154) 7.262 23.389 ( 1.743 0.000 0.226) 1.758 23.426 ( 2.865 0.000 -0.260) 2.877 24.057 ( -1.885 0.000 8.062) 8.280 24.493 ( -12.822 0.000 2.356) 13.037 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 11.035 0.000 8.707) 14.056 0.790 ( 2.124 0.000 11.367) 11.564 1.126 ( 2.251 0.000 1.909) 2.951 1.172 ( -1.987 0.000 2.490) 3.185 1.293 ( -3.607 0.000 -2.657) 4.480 1.375 ( 13.248 0.000 12.608) 18.288 1.469 ( -0.488 0.000 -3.316) 3.352 1.475 ( 2.934 0.000 -0.521) 2.980 1.639 ( 0.659 0.000 -3.651) 3.710 1.707 ( 0.020 0.000 -5.672) 5.672 1.818 ( -0.033 0.000 9.422) 9.422 1.880 ( -2.716 0.000 -8.474) 8.899 2.121 ( -13.029 0.000 3.105) 13.394 2.231 ( -10.291 0.000 1.816) 10.450 2.663 ( -2.767 0.000 12.690) 12.988 2.674 ( -3.249 0.000 -1.266) 3.487 2.910 ( -6.942 0.000 -1.193) 7.043 3.119 ( 4.533 0.000 5.154) 6.864 3.314 ( -5.908 0.000 7.030) 9.183 3.478 ( -1.757 0.000 -2.481) 3.040 3.518 ( 11.923 0.000 1.708) 12.045 3.749 ( 7.098 0.000 -6.942) 9.928 4.024 ( 14.505 0.000 -8.374) 16.749 4.136 ( 0.758 0.000 -7.884) 7.920 4.444 ( 6.608 0.000 2.679) 7.131 4.586 ( 2.091 0.000 1.856) 2.796 4.853 ( -10.531 0.000 1.645) 10.659 5.138 ( -9.590 0.000 -4.169) 10.457 7.104 ( 8.412 0.000 8.640) 12.059 7.632 ( -0.786 0.000 9.167) 9.201 7.790 ( -1.971 0.000 -3.785) 4.268 8.152 ( 6.087 0.000 4.877) 7.800 8.280 ( -13.880 0.000 -1.984) 14.021 8.508 ( 1.940 0.000 -1.565) 2.492 8.749 ( -4.239 0.000 0.262) 4.247 8.962 ( -4.261 0.000 -3.962) 5.819 9.120 ( 8.884 0.000 -0.068) 8.884 9.257 ( 2.012 0.000 0.519) 2.078 9.304 ( 6.169 0.000 -2.955) 6.840 9.450 ( -6.815 0.000 -0.497) 6.833 11.602 ( 4.521 0.000 1.500) 4.763 12.040 ( -3.753 0.000 -4.677) 5.996 12.950 ( 3.246 0.000 -0.526) 3.289 13.061 ( 4.749 0.000 4.181) 6.328 13.220 ( -2.339 0.000 -3.789) 4.453 13.564 ( -5.897 0.000 -4.403) 7.359 14.168 ( 0.634 0.000 1.989) 2.088 14.542 ( -2.813 0.000 -5.462) 6.144 18.330 ( 2.368 0.000 9.822) 10.103 18.646 ( -3.253 0.000 5.740) 6.598 19.089 ( 5.601 0.000 -3.588) 6.652 19.662 ( 6.555 0.000 4.831) 8.143 19.783 ( -9.080 0.000 -12.027) 15.070 20.251 ( 7.748 0.000 -7.212) 10.585 20.615 ( -14.058 0.000 9.863) 17.173 21.264 ( -9.082 0.000 -10.041) 13.538 23.448 ( 4.110 0.000 0.927) 4.213 23.507 ( 4.919 0.000 0.201) 4.923 23.998 ( -3.984 0.000 6.508) 7.631 24.222 ( -12.834 0.000 7.373) 14.802 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 4.071 0.000 9.031) 9.906 1.035 ( 13.822 0.000 5.789) 14.985 1.071 ( -5.976 0.000 4.023) 7.203 1.257 ( 9.518 0.000 1.421) 9.623 1.328 ( 6.972 0.000 -0.345) 6.981 1.431 ( -3.701 0.000 -0.872) 3.802 1.533 ( 2.520 0.000 -0.545) 2.578 1.596 ( 7.898 0.000 9.348) 12.238 1.638 ( -0.704 0.000 -2.102) 2.217 1.706 ( -0.254 0.000 -1.977) 1.993 1.806 ( -1.140 0.000 3.413) 3.599 1.816 ( -3.060 0.000 -5.859) 6.610 1.822 ( -15.408 0.000 1.829) 15.516 1.936 ( -17.156 0.000 0.223) 17.158 2.652 ( 1.014 0.000 -4.398) 4.513 2.722 ( 7.015 0.000 12.402) 14.249 2.791 ( -4.999 0.000 -6.753) 8.402 3.122 ( -10.998 0.000 8.509) 13.905 3.201 ( 4.271 0.000 3.997) 5.849 3.411 ( -4.644 0.000 -0.327) 4.655 3.833 ( 17.499 0.000 2.529) 17.681 3.930 ( 8.797 0.000 -7.618) 11.637 4.134 ( -1.272 0.000 -8.422) 8.517 4.281 ( 8.292 0.000 -6.406) 10.478 4.556 ( 4.180 0.000 3.884) 5.706 4.615 ( 0.730 0.000 4.005) 4.071 4.633 ( -8.466 0.000 2.242) 8.758 4.927 ( -11.128 0.000 -4.272) 11.920 7.297 ( 10.340 0.000 7.849) 12.982 7.664 ( 4.054 0.000 4.299) 5.909 7.697 ( -7.302 0.000 1.489) 7.452 8.012 ( -12.263 0.000 -1.407) 12.344 8.321 ( 10.522 0.000 3.385) 11.053 8.544 ( 1.869 0.000 -0.205) 1.880 8.665 ( -3.934 0.000 0.097) 3.936 8.808 ( -10.442 0.000 -1.988) 10.629 9.281 ( 6.570 0.000 -0.959) 6.639 9.294 ( 1.703 0.000 -0.816) 1.888 9.360 ( -2.401 0.000 -0.691) 2.498 9.386 ( 1.825 0.000 -2.405) 3.019 11.709 ( 5.808 0.000 2.197) 6.209 11.947 ( -5.300 0.000 -0.580) 5.332 13.024 ( 3.792 0.000 -2.645) 4.623 13.165 ( -3.017 0.000 -3.851) 4.892 13.169 ( 5.697 0.000 1.016) 5.787 13.427 ( -6.997 0.000 -2.873) 7.564 14.234 ( 5.035 0.000 -1.745) 5.329 14.460 ( -5.020 0.000 -5.104) 7.159 18.393 ( 3.815 0.000 8.392) 9.219 18.570 ( -4.192 0.000 5.970) 7.295 19.221 ( 7.365 0.000 -4.714) 8.744 19.585 ( -10.092 0.000 -9.397) 13.789 19.824 ( 9.360 0.000 5.022) 10.622 20.271 ( -10.277 0.000 5.540) 11.675 20.519 ( 8.828 0.000 -6.499) 10.962 21.033 ( -12.977 0.000 -10.832) 16.904 23.553 ( 6.065 0.000 1.884) 6.351 23.617 ( 5.537 0.000 1.126) 5.650 23.899 ( -5.402 0.000 4.974) 7.343 23.990 ( -9.763 0.000 7.064) 12.051 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -5.608 0.000 6.678) 8.721 0.951 ( 5.608 0.000 6.678) 8.721 1.290 ( -10.330 0.000 3.388) 10.872 1.290 ( 10.330 0.000 3.388) 10.872 1.488 ( -8.602 0.000 -0.066) 8.602 1.488 ( 8.602 0.000 -0.066) 8.602 1.550 ( -7.231 0.000 0.789) 7.274 1.550 ( 7.231 0.000 0.789) 7.274 1.644 ( -5.103 0.000 -0.176) 5.106 1.644 ( 5.103 0.000 -0.176) 5.106 1.691 ( -1.761 0.000 5.376) 5.657 1.691 ( 1.761 0.000 5.376) 5.657 1.784 ( -0.468 0.000 -4.505) 4.529 1.784 ( 0.468 0.000 -4.505) 4.529 2.703 ( -3.641 0.000 -6.835) 7.744 2.703 ( 3.641 0.000 -6.835) 7.744 2.903 ( -10.241 0.000 10.308) 14.530 2.903 ( 10.241 0.000 10.308) 14.530 3.303 ( -5.591 0.000 1.860) 5.893 3.303 ( 5.591 0.000 1.860) 5.893 4.072 ( -4.992 0.000 -8.328) 9.710 4.072 ( 4.992 0.000 -8.328) 9.710 4.176 ( -14.957 0.000 1.059) 14.995 4.176 ( 14.957 0.000 1.059) 14.995 4.611 ( -1.314 0.000 4.594) 4.779 4.611 ( 1.314 0.000 4.594) 4.779 4.695 ( -10.894 0.000 -3.499) 11.443 4.695 ( 10.894 0.000 -3.499) 11.443 7.511 ( -10.399 0.000 5.814) 11.914 7.511 ( 10.399 0.000 5.814) 11.914 7.795 ( -8.796 0.000 0.678) 8.822 7.795 ( 8.796 0.000 0.678) 8.822 8.552 ( -9.705 0.000 0.386) 9.713 8.552 ( 9.705 0.000 0.386) 9.713 8.605 ( -3.146 0.000 0.346) 3.165 8.605 ( 3.146 0.000 0.346) 3.165 9.326 ( -1.419 0.000 -1.176) 1.844 9.326 ( 1.419 0.000 -1.176) 1.844 9.376 ( -2.692 0.000 -1.840) 3.261 9.376 ( 2.692 0.000 -1.840) 3.261 11.830 ( -6.032 0.000 1.693) 6.265 11.830 ( 6.032 0.000 1.693) 6.265 13.099 ( -3.528 0.000 -3.587) 5.031 13.099 ( 3.528 0.000 -3.587) 5.031 13.291 ( -6.354 0.000 -1.479) 6.524 13.291 ( 6.354 0.000 -1.479) 6.524 14.348 ( -5.807 0.000 -3.861) 6.974 14.348 ( 5.807 0.000 -3.861) 6.974 18.480 ( -4.544 0.000 6.942) 8.297 18.480 ( 4.544 0.000 6.942) 8.297 19.388 ( -9.082 0.000 -6.761) 11.322 19.388 ( 9.082 0.000 -6.761) 11.322 20.037 ( -11.387 0.000 5.957) 12.851 20.037 ( 11.387 0.000 5.957) 12.851 20.761 ( -13.373 0.000 -10.289) 16.873 20.761 ( 13.373 0.000 -10.289) 16.873 23.667 ( -3.194 0.000 2.219) 3.889 23.667 ( 3.194 0.000 2.219) 3.889 23.845 ( -3.143 0.000 5.094) 5.985 23.845 ( 3.143 0.000 5.094) 5.985 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 0.000 -10.220 17.031) 19.862 0.644 ( 0.000 1.344 13.280) 13.348 1.041 ( 0.000 1.209 11.648) 11.710 1.159 ( 0.000 7.055 7.674) 10.424 1.274 ( 0.000 1.538 -0.431) 1.597 1.285 ( 0.000 -5.238 -3.367) 6.226 1.457 ( 0.000 -0.810 -3.391) 3.487 1.549 ( 0.000 3.646 -7.048) 7.935 1.562 ( 0.000 -1.223 -5.163) 5.306 1.680 ( 0.000 -2.547 -4.743) 5.383 1.795 ( 0.000 -1.012 6.184) 6.266 1.901 ( 0.000 -2.173 -7.092) 7.417 2.309 ( 0.000 5.251 9.083) 10.491 2.624 ( 0.000 7.345 4.549) 8.640 2.769 ( 0.000 -12.690 6.426) 14.224 2.796 ( 0.000 -1.998 0.372) 2.032 3.022 ( 0.000 6.149 6.547) 8.982 3.094 ( 0.000 0.307 -1.003) 1.049 3.333 ( 0.000 4.105 -0.394) 4.123 3.391 ( 0.000 -3.346 -4.890) 5.925 3.464 ( 0.000 -0.933 -1.058) 1.411 3.604 ( 0.000 7.429 -5.176) 9.054 3.838 ( 0.000 4.553 -3.185) 5.557 4.118 ( 0.000 -0.524 -4.871) 4.899 4.188 ( 0.000 -3.929 1.942) 4.382 4.447 ( 0.000 -5.489 -0.384) 5.502 5.115 ( 0.000 2.315 -0.826) 2.458 5.337 ( 0.000 -4.206 -4.581) 6.219 6.955 ( 0.000 4.137 9.781) 10.620 7.619 ( 0.000 -7.450 14.907) 16.665 7.894 ( 0.000 7.702 -4.976) 9.169 8.084 ( 0.000 6.510 1.931) 6.790 8.414 ( 0.000 -1.690 -4.484) 4.792 8.693 ( 0.000 -6.986 -0.710) 7.022 8.751 ( 0.000 1.443 1.013) 1.763 8.998 ( 0.000 -1.359 -6.534) 6.674 9.003 ( 0.000 3.243 -1.647) 3.638 9.105 ( 0.000 9.580 -2.692) 9.951 9.191 ( 0.000 -0.728 3.087) 3.171 9.572 ( 0.000 -10.612 -5.068) 11.760 11.561 ( 0.000 5.266 0.048) 5.267 12.137 ( 0.000 0.853 -10.840) 10.874 12.798 ( 0.000 -9.599 6.030) 11.336 12.851 ( 0.000 -2.829 3.165) 4.245 13.457 ( 0.000 13.285 -1.841) 13.412 13.675 ( 0.000 3.006 -5.035) 5.864 14.336 ( 0.000 -4.440 1.108) 4.576 14.340 ( 0.000 -12.545 3.624) 13.058 18.324 ( 0.000 3.222 10.764) 11.236 18.886 ( 0.000 -6.626 -2.480) 7.075 19.018 ( 0.000 22.346 -6.354) 23.232 19.623 ( 0.000 10.143 4.926) 11.275 19.909 ( 0.000 -5.615 -13.522) 14.642 20.167 ( 0.000 6.680 -5.124) 8.419 21.119 ( 0.000 -2.617 -0.619) 2.689 21.292 ( 0.000 -4.717 -2.080) 5.155 23.382 ( 0.000 0.770 0.060) 0.772 23.398 ( 0.000 0.237 -0.194) 0.306 24.075 ( 0.000 0.076 8.619) 8.619 24.523 ( 0.000 -10.535 1.595) 10.655 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.503 -8.275 15.446) 17.530 0.825 ( 8.952 3.115 9.344) 13.310 1.073 ( 2.660 -2.106 7.395) 8.136 1.207 ( 4.802 8.091 8.568) 12.726 1.269 ( 0.699 5.105 2.019) 5.534 1.315 ( 2.733 -7.134 -2.943) 8.187 1.429 ( -2.799 0.246 -2.971) 4.089 1.513 ( -0.526 2.355 -5.263) 5.790 1.616 ( 2.284 0.856 -4.838) 5.418 1.675 ( -0.252 -2.867 -5.330) 6.058 1.799 ( 0.319 -1.263 7.047) 7.167 1.890 ( -1.248 -2.214 -6.697) 7.163 2.318 ( 0.323 5.874 7.284) 9.363 2.524 ( -8.096 9.260 3.397) 12.761 2.692 ( -6.920 -6.475 5.367) 10.891 2.795 ( -0.257 -1.400 1.066) 1.778 2.964 ( -5.592 -3.527 -1.147) 6.710 3.132 ( -3.908 8.209 7.396) 11.720 3.298 ( 6.100 -6.160 -4.670) 9.847 3.370 ( 1.533 3.458 1.506) 4.072 3.521 ( 3.927 2.618 -0.583) 4.755 3.733 ( 1.511 3.274 -4.665) 5.896 3.824 ( 4.891 4.171 -4.514) 7.855 4.113 ( 0.837 -1.119 -4.484) 4.697 4.248 ( 4.844 -5.097 1.830) 7.266 4.469 ( 1.667 -5.884 0.257) 6.121 5.058 ( -5.438 2.785 -0.592) 6.139 5.272 ( -5.978 -3.165 -4.025) 7.871 6.994 ( 3.906 2.932 9.490) 10.673 7.587 ( -2.628 -7.439 12.714) 14.963 7.863 ( -2.499 5.718 -5.685) 8.441 8.131 ( 4.069 6.336 2.748) 8.016 8.415 ( -3.135 -2.982 -3.466) 5.543 8.625 ( -5.143 3.809 -1.087) 6.492 8.751 ( 4.062 -4.844 -0.448) 6.337 8.964 ( -2.204 3.200 -1.658) 4.225 9.094 ( -0.136 4.141 -1.144) 4.298 9.140 ( 8.125 -0.310 -3.572) 8.881 9.223 ( 2.416 0.936 0.856) 2.728 9.509 ( -5.418 -8.686 -3.340) 10.769 11.588 ( 2.647 5.468 0.360) 6.086 12.125 ( -1.295 1.696 -9.017) 9.267 12.785 ( -0.521 -10.206 4.883) 11.326 12.882 ( 2.196 -4.512 2.329) 5.533 13.452 ( -0.412 13.393 -1.966) 13.543 13.673 ( -0.619 3.550 -4.912) 6.092 14.184 ( -6.153 -5.411 4.581) 9.388 14.448 ( 2.928 -9.029 -1.728) 9.648 18.337 ( 1.307 3.607 10.334) 11.023 18.898 ( -0.046 0.587 -3.665) 3.712 18.996 ( -0.787 14.117 -3.239) 14.506 19.651 ( 2.820 9.352 4.871) 10.915 19.871 ( -4.052 -5.174 -13.530) 15.041 20.191 ( 2.678 5.598 -5.184) 8.086 20.919 ( -14.652 -0.777 5.997) 15.850 21.307 ( -2.086 -6.368 -6.759) 9.518 23.397 ( 1.758 0.772 0.310) 1.945 23.429 ( 2.837 0.239 -0.093) 2.849 24.054 ( -2.096 -0.172 8.001) 8.273 24.403 ( -10.186 -7.761 4.990) 13.744 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 10.017 -6.253 9.243) 14.996 0.951 ( 4.234 7.443 6.686) 10.864 1.147 ( 5.084 0.387 2.509) 5.682 1.227 ( -0.780 5.339 1.260) 5.540 1.349 ( -0.537 3.180 -3.385) 4.675 1.403 ( 4.528 -5.111 -0.401) 6.840 1.435 ( 9.478 4.308 10.241) 14.604 1.517 ( 0.478 3.272 -3.666) 4.937 1.629 ( -0.833 -0.937 -2.587) 2.874 1.687 ( 1.257 -1.299 -5.629) 5.912 1.800 ( -0.473 -2.062 7.496) 7.789 1.845 ( -3.178 -1.620 -5.096) 6.220 2.228 ( -10.888 10.655 3.791) 15.699 2.398 ( -4.651 13.826 0.539) 14.597 2.556 ( -4.579 -3.466 2.744) 6.365 2.736 ( -6.986 -1.482 2.271) 7.494 2.810 ( -3.914 -4.355 -1.494) 6.044 3.080 ( -2.256 -4.961 -0.479) 5.471 3.410 ( 1.842 5.263 6.149) 8.301 3.493 ( 5.973 3.547 0.984) 7.016 3.584 ( 4.018 6.711 2.143) 8.110 3.724 ( 5.808 -1.638 -3.575) 7.014 4.013 ( 8.353 -2.906 -7.166) 11.383 4.159 ( 3.907 0.218 -5.187) 6.498 4.364 ( 6.292 -6.276 2.573) 9.252 4.494 ( 0.515 -7.348 2.231) 7.696 4.905 ( -9.296 3.894 0.277) 10.082 5.117 ( -8.909 -1.776 -3.753) 9.829 7.112 ( 7.513 0.887 8.630) 11.476 7.544 ( -0.899 -7.314 8.114) 10.960 7.803 ( -3.730 1.612 -4.212) 5.853 8.207 ( -7.179 -1.363 -1.067) 7.385 8.250 ( 0.481 4.121 2.745) 4.975 8.625 ( 2.159 9.181 -1.651) 9.575 8.801 ( -0.521 3.120 0.171) 3.168 8.935 ( -1.417 -0.740 -2.403) 2.886 9.094 ( 1.453 -1.963 0.721) 2.547 9.259 ( 1.211 -1.346 -0.654) 1.925 9.293 ( 5.632 -0.819 -1.983) 6.027 9.404 ( -3.403 -3.641 -1.935) 5.346 11.664 ( 4.681 5.841 1.228) 7.586 12.081 ( -3.081 3.529 -4.739) 6.663 12.790 ( 1.070 -12.800 2.026) 13.003 12.918 ( 1.014 -7.804 0.347) 7.877 13.446 ( 0.002 13.807 -2.174) 13.977 13.632 ( -3.340 6.302 -3.500) 7.945 14.131 ( 1.018 -3.520 1.527) 3.970 14.459 ( -1.541 -7.470 -4.005) 8.615 18.380 ( 3.090 4.734 9.111) 10.723 18.834 ( -5.352 14.708 -1.499) 15.723 19.047 ( 5.160 -2.822 -2.099) 6.245 19.735 ( 0.741 2.992 -1.099) 3.273 19.747 ( -3.197 0.980 -6.371) 7.195 20.278 ( 5.516 2.220 -5.952) 8.413 20.621 ( -13.487 0.700 8.370) 15.888 21.186 ( -9.268 -7.505 -8.999) 14.940 23.457 ( 4.095 0.815 0.937) 4.279 23.508 ( 4.837 0.109 0.379) 4.853 23.990 ( -4.176 -0.628 6.462) 7.720 24.175 ( -11.270 -4.134 7.643) 14.231 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 9.430 -2.059 6.476) 11.623 1.013 ( 0.863 2.927 4.705) 5.608 1.212 ( 2.485 7.211 2.670) 8.081 1.306 ( 9.058 3.624 1.211) 9.831 1.370 ( 1.930 2.541 -1.404) 3.485 1.486 ( 3.957 -3.879 -0.677) 5.582 1.525 ( 0.809 4.887 -1.574) 5.198 1.594 ( -0.686 -1.749 -1.054) 2.154 1.625 ( 5.254 0.941 6.004) 8.034 1.697 ( -1.304 -0.292 -1.047) 1.697 1.752 ( -3.622 -1.748 -4.847) 6.298 1.795 ( -1.721 0.112 5.511) 5.774 1.988 ( -10.014 15.626 2.900) 18.785 2.179 ( -14.238 18.833 -0.989) 23.630 2.560 ( 2.356 -4.968 -1.422) 5.679 2.655 ( -1.378 -7.298 -2.022) 7.697 2.773 ( 0.744 -1.606 -0.027) 1.770 3.006 ( -5.542 -6.875 -0.921) 8.878 3.385 ( -0.848 11.224 7.502) 13.527 3.486 ( -2.959 7.556 3.643) 8.895 3.838 ( 15.852 0.253 2.181) 16.003 3.906 ( 9.272 -2.405 -4.890) 10.755 4.093 ( 0.238 -4.298 -6.500) 7.796 4.258 ( 2.350 -5.309 -3.168) 6.614 4.492 ( 2.930 -6.971 3.339) 8.266 4.505 ( 5.290 -3.090 1.559) 6.322 4.710 ( -8.821 3.488 1.662) 9.630 4.918 ( -10.569 -0.898 -3.750) 11.251 7.290 ( 9.740 -0.512 7.305) 12.186 7.565 ( 2.476 -6.865 3.765) 8.212 7.701 ( -5.711 -0.789 0.307) 5.773 7.953 ( -12.506 -4.676 -1.722) 13.462 8.398 ( 9.448 6.630 3.411) 12.035 8.664 ( 1.720 9.825 -0.738) 10.002 8.753 ( -3.449 7.565 -0.268) 8.319 8.832 ( -8.138 3.312 -1.449) 8.905 9.169 ( 4.593 -7.505 0.889) 8.844 9.261 ( -0.404 -4.842 -0.472) 4.882 9.368 ( 1.867 0.057 -2.160) 2.856 9.391 ( 1.024 -0.554 -2.251) 2.534 11.772 ( 5.796 6.048 1.975) 8.606 12.000 ( -4.807 5.096 -0.648) 7.035 12.826 ( 2.268 -14.708 -0.863) 14.906 12.916 ( -1.239 -12.003 -1.455) 12.154 13.459 ( 1.327 14.086 -2.397) 14.350 13.559 ( -3.419 10.345 -2.752) 11.238 14.197 ( 4.738 -3.630 -1.833) 6.244 14.399 ( -4.125 -5.756 -4.416) 8.346 18.463 ( 5.026 6.611 7.268) 11.036 18.711 ( -6.480 12.658 2.205) 14.391 19.179 ( 7.693 -4.027 -3.889) 9.514 19.553 ( -9.979 -3.183 -9.276) 13.991 19.885 ( 8.450 6.061 4.475) 11.321 20.289 ( -8.919 1.729 4.410) 10.099 20.504 ( 6.311 -1.353 -5.130) 8.244 20.960 ( -12.376 -7.173 -9.515) 17.180 23.561 ( 5.983 0.730 1.875) 6.313 23.617 ( 5.601 0.028 1.300) 5.750 23.888 ( -5.588 -0.971 4.863) 7.471 23.966 ( -9.121 -2.250 6.820) 11.609 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -5.245 1.485 5.087) 7.456 0.960 ( 5.245 1.485 5.087) 7.456 1.325 ( -6.246 3.542 2.456) 7.589 1.325 ( 6.246 3.542 2.456) 7.589 1.492 ( -6.669 -1.639 -1.179) 6.968 1.492 ( 6.669 -1.639 -1.179) 6.968 1.582 ( -2.714 -1.997 -1.360) 3.634 1.582 ( 2.714 -1.997 -1.360) 3.634 1.634 ( -4.424 3.201 -0.534) 5.487 1.634 ( 4.424 3.201 -0.534) 5.487 1.746 ( -2.746 2.775 4.848) 6.225 1.746 ( 2.746 2.775 4.848) 6.225 1.946 ( -6.296 17.998 -0.122) 19.068 1.946 ( 6.296 17.998 -0.122) 19.068 2.611 ( -2.734 -6.458 -5.128) 8.688 2.611 ( 2.734 -6.458 -5.128) 8.688 2.867 ( -7.156 -3.695 1.759) 8.244 2.867 ( 7.156 -3.695 1.759) 8.244 3.416 ( -3.277 9.559 5.413) 11.464 3.416 ( 3.277 9.559 5.413) 11.464 4.046 ( -4.577 -2.821 -6.003) 8.059 4.046 ( 4.577 -2.821 -6.003) 8.059 4.143 ( -12.120 -4.346 1.231) 12.935 4.143 ( 12.120 -4.346 1.231) 12.935 4.559 ( -4.632 -3.264 3.417) 6.617 4.559 ( 4.632 -3.264 3.417) 6.617 4.700 ( -10.212 -0.138 -2.776) 10.583 4.700 ( 10.212 -0.138 -2.776) 10.583 7.490 ( -9.255 -1.699 4.854) 10.588 7.490 ( 9.255 -1.699 4.854) 10.588 7.733 ( -8.499 -5.203 0.267) 9.968 7.733 ( 8.499 -5.203 0.267) 9.968 8.606 ( -10.310 4.149 0.850) 11.146 8.606 ( 10.310 4.149 0.850) 11.146 8.712 ( -2.760 10.312 -0.278) 10.678 8.712 ( 2.760 10.312 -0.278) 10.678 9.240 ( -2.083 -6.468 -0.270) 6.801 9.240 ( 2.083 -6.468 -0.270) 6.801 9.395 ( -0.781 -0.197 -2.179) 2.323 9.395 ( 0.781 -0.197 -2.179) 2.323 11.891 ( -5.805 5.883 1.597) 8.418 11.891 ( 5.805 5.883 1.597) 8.418 12.875 ( -2.462 -14.577 -2.086) 14.930 12.875 ( 2.462 -14.577 -2.086) 14.930 13.499 ( -2.513 13.119 -2.617) 13.612 13.499 ( 2.513 13.119 -2.617) 13.612 14.302 ( -5.232 -4.465 -3.628) 7.776 14.302 ( 5.232 -4.465 -3.628) 7.776 18.580 ( -6.307 9.303 4.988) 12.296 18.580 ( 6.307 9.303 4.988) 12.296 19.354 ( -9.382 -3.440 -6.350) 11.839 19.354 ( 9.382 -3.440 -6.350) 11.839 20.078 ( -10.348 4.040 5.186) 12.259 20.078 ( 10.348 4.040 5.186) 12.259 20.708 ( -11.919 -5.140 -8.982) 15.785 20.708 ( 11.919 -5.140 -8.982) 15.785 23.674 ( -3.082 0.662 2.330) 3.920 23.674 ( 3.082 0.662 2.330) 3.920 23.827 ( -2.967 -1.714 4.833) 5.924 23.827 ( 2.967 -1.714 4.833) 5.924 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 5.308 5.428) 7.592 0.689 ( 0.000 3.131 11.465) 11.885 0.937 ( 0.000 -7.278 8.073) 10.869 1.038 ( 0.000 -14.163 -5.005) 15.021 1.384 ( 0.000 8.527 3.295) 9.142 1.402 ( 0.000 6.234 -2.704) 6.796 1.476 ( 0.000 5.520 1.781) 5.800 1.521 ( 0.000 -2.854 -4.471) 5.304 1.579 ( 0.000 -1.726 -8.566) 8.739 1.666 ( 0.000 1.985 -0.803) 2.141 1.761 ( 0.000 -2.213 3.663) 4.279 1.829 ( 0.000 -5.272 -1.599) 5.509 2.478 ( 0.000 11.239 0.239) 11.241 2.600 ( 0.000 -3.974 2.657) 4.780 2.657 ( 0.000 -3.969 2.800) 4.857 2.915 ( 0.000 11.920 -1.236) 11.984 3.010 ( 0.000 -8.558 -9.967) 13.137 3.133 ( 0.000 3.823 3.588) 5.243 3.348 ( 0.000 0.085 0.839) 0.843 3.409 ( 0.000 2.508 -1.443) 2.894 3.473 ( 0.000 1.896 0.411) 1.940 3.656 ( 0.000 -2.954 -2.719) 4.015 3.925 ( 0.000 3.843 -0.661) 3.899 4.089 ( 0.000 -2.572 -1.639) 3.050 4.129 ( 0.000 -0.140 3.903) 3.906 4.316 ( 0.000 -6.903 2.743) 7.428 5.163 ( 0.000 2.255 -2.350) 3.257 5.257 ( 0.000 -3.288 -3.365) 4.705 7.079 ( 0.000 7.885 11.224) 13.717 7.449 ( 0.000 -9.190 14.293) 16.993 8.080 ( 0.000 9.729 -4.530) 10.731 8.244 ( 0.000 9.323 -1.033) 9.380 8.361 ( 0.000 -3.950 -5.633) 6.880 8.577 ( 0.000 -5.260 -1.071) 5.368 8.785 ( 0.000 1.836 -1.855) 2.609 8.940 ( 0.000 -4.584 -6.547) 7.992 9.084 ( 0.000 4.192 -0.081) 4.193 9.193 ( 0.000 1.574 1.793) 2.386 9.218 ( 0.000 0.849 -1.124) 1.408 9.355 ( 0.000 -8.553 -3.093) 9.095 11.707 ( 0.000 8.942 -0.510) 8.956 12.085 ( 0.000 -6.581 -6.732) 9.414 12.676 ( 0.000 -1.894 3.878) 4.316 12.777 ( 0.000 -4.149 2.142) 4.669 13.724 ( 0.000 12.406 -1.778) 12.533 13.758 ( 0.000 5.086 -2.623) 5.722 14.103 ( 0.000 -9.757 4.722) 10.840 14.208 ( 0.000 -8.063 0.534) 8.081 18.413 ( 0.000 5.687 8.752) 10.437 18.724 ( 0.000 -8.843 1.091) 8.910 19.385 ( 0.000 13.315 -12.060) 17.965 19.777 ( 0.000 -7.591 -12.879) 14.950 19.930 ( 0.000 17.764 0.770) 17.781 20.276 ( 0.000 2.754 -1.599) 3.185 21.061 ( 0.000 -2.269 -4.521) 5.058 21.173 ( 0.000 -6.377 -3.956) 7.505 23.399 ( 0.000 0.739 0.338) 0.813 23.404 ( 0.000 0.308 0.115) 0.329 24.090 ( 0.000 1.744 8.520) 8.696 24.308 ( 0.000 -9.542 7.180) 11.942 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 2.584 8.480 4.727) 10.046 0.870 ( 12.242 1.586 6.537) 13.969 1.007 ( 6.071 -3.976 6.344) 9.639 1.076 ( 3.739 -13.736 -3.786) 14.731 1.372 ( -1.914 5.783 -2.163) 6.464 1.416 ( 2.332 5.703 0.241) 6.166 1.469 ( -0.454 4.185 1.921) 4.627 1.528 ( 1.165 1.436 -2.720) 3.289 1.606 ( 1.623 -3.137 -5.893) 6.870 1.664 ( 0.059 2.549 -1.299) 2.862 1.761 ( -0.035 -2.255 4.091) 4.672 1.824 ( -0.439 -4.626 -1.217) 4.804 2.482 ( 0.273 9.688 -0.649) 9.714 2.579 ( -2.075 -3.159 2.022) 4.286 2.640 ( -2.156 -1.603 3.597) 4.489 2.869 ( -4.462 6.929 -4.688) 9.481 2.958 ( -2.610 1.892 -6.163) 6.955 3.148 ( -6.331 0.072 -2.162) 6.691 3.318 ( 3.972 7.138 4.136) 9.156 3.419 ( 5.425 -0.227 1.470) 5.625 3.560 ( 4.343 0.235 0.281) 4.358 3.707 ( 3.187 -7.327 -3.015) 8.540 3.925 ( -0.613 5.300 -1.543) 5.554 4.047 ( -1.747 -3.485 2.677) 4.729 4.174 ( 3.940 -1.444 1.920) 4.615 4.335 ( 1.223 -6.845 2.632) 7.435 5.116 ( -4.591 2.642 -2.327) 5.785 5.209 ( -4.624 -2.704 -3.311) 6.298 7.087 ( 1.238 6.201 10.362) 12.139 7.417 ( -2.500 -9.037 11.767) 15.046 8.020 ( -6.009 9.295 -6.659) 12.917 8.272 ( 3.153 6.663 0.568) 7.393 8.347 ( -4.896 -3.732 -4.169) 7.435 8.581 ( 3.822 -6.398 1.149) 7.541 8.781 ( 2.155 5.933 -3.626) 7.280 9.016 ( 2.394 -0.604 -3.731) 4.474 9.113 ( 2.373 0.397 -0.561) 2.470 9.165 ( -0.258 3.039 0.822) 3.158 9.226 ( -0.700 -2.771 -0.328) 2.877 9.339 ( -0.817 -5.869 -2.976) 6.631 11.738 ( 2.959 9.049 -0.316) 9.526 12.101 ( 1.463 -5.169 -6.402) 8.357 12.640 ( -3.034 -2.646 4.433) 5.989 12.777 ( -0.486 -5.763 1.409) 5.953 13.706 ( -0.944 10.406 -2.136) 10.664 13.784 ( 1.639 7.877 -2.560) 8.443 14.051 ( -2.838 -6.762 3.547) 8.146 14.251 ( 2.332 -10.218 -0.438) 10.490 18.437 ( 2.354 6.304 8.228) 10.630 18.761 ( 3.632 -8.686 0.618) 9.435 19.345 ( -4.043 14.054 -11.392) 18.537 19.742 ( -3.487 -7.303 -12.476) 14.871 19.937 ( 0.863 16.800 1.217) 16.866 20.284 ( 0.806 2.187 -2.070) 3.117 20.909 ( -12.059 0.483 0.659) 12.086 21.141 ( -4.796 -9.348 -6.084) 12.141 23.416 ( 1.930 0.937 0.466) 2.195 23.434 ( 2.671 0.136 0.288) 2.690 24.061 ( -2.777 1.209 7.977) 8.532 24.237 ( -6.353 -7.686 7.717) 12.609 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 10.925 8.214 1.803) 13.787 1.068 ( 5.583 2.506 0.586) 6.147 1.153 ( 8.480 0.313 2.436) 8.828 1.187 ( 6.518 -10.614 0.388) 12.461 1.353 ( 0.221 4.309 -1.715) 4.643 1.415 ( -0.693 2.649 -2.578) 3.761 1.522 ( 2.425 -0.495 -2.566) 3.565 1.561 ( 3.047 3.090 3.002) 5.277 1.625 ( 0.905 1.281 0.099) 1.572 1.683 ( 1.769 1.326 -2.442) 3.294 1.755 ( -0.687 -2.013 4.437) 4.920 1.810 ( -1.052 -2.576 0.087) 2.784 2.461 ( -4.454 8.138 0.853) 9.316 2.509 ( -3.447 -0.631 1.113) 3.677 2.585 ( -2.359 0.026 -1.648) 2.877 2.762 ( -6.434 -1.789 -7.018) 9.687 2.870 ( -7.687 17.605 -3.145) 19.466 2.996 ( -3.066 3.981 -1.975) 5.399 3.491 ( 8.439 3.232 4.920) 10.289 3.569 ( 7.690 -1.161 1.220) 7.872 3.644 ( 4.955 -2.445 0.717) 5.571 3.730 ( 0.188 -2.215 0.981) 2.430 3.923 ( 1.342 -1.319 -1.985) 2.735 4.055 ( 1.784 -6.930 2.136) 7.468 4.279 ( 5.711 -2.760 1.166) 6.449 4.357 ( 1.692 -5.404 3.629) 6.726 4.981 ( -8.506 3.447 -1.723) 9.338 5.078 ( -8.041 -1.895 -3.229) 8.869 7.148 ( 5.037 2.966 8.340) 10.185 7.383 ( -0.111 -8.051 7.261) 10.842 7.870 ( -8.194 5.123 -5.291) 11.017 8.120 ( -12.994 -5.457 -4.397) 14.763 8.403 ( 7.068 8.736 3.442) 11.753 8.743 ( 9.407 -5.915 1.998) 11.291 8.831 ( 2.155 9.102 -2.870) 9.784 9.023 ( -0.979 6.384 -1.738) 6.688 9.074 ( -3.697 0.791 -0.137) 3.783 9.181 ( -2.706 -5.986 -0.320) 6.577 9.251 ( 4.862 -2.706 -0.838) 5.627 9.342 ( 0.784 -2.927 -2.606) 3.997 11.822 ( 5.132 9.424 0.350) 10.737 12.133 ( 1.311 -0.332 -4.860) 5.045 12.573 ( -3.116 -6.478 4.037) 8.245 12.744 ( -2.924 -9.083 0.400) 9.550 13.699 ( 0.327 10.634 -2.524) 10.934 13.804 ( 0.051 10.546 -2.385) 10.812 14.033 ( 1.320 -5.921 0.510) 6.088 14.273 ( -0.267 -10.495 -2.335) 10.755 18.511 ( 4.988 7.958 6.735) 11.557 18.866 ( 6.451 -7.717 -0.868) 10.096 19.223 ( -7.670 14.595 -8.028) 18.338 19.633 ( -7.229 -6.807 -11.471) 15.172 19.975 ( 3.090 14.434 1.993) 14.895 20.312 ( 1.946 0.147 -2.989) 3.570 20.649 ( -12.311 2.492 4.247) 13.259 20.981 ( -10.205 -12.046 -6.159) 16.946 23.478 ( 4.149 1.176 0.983) 4.423 23.508 ( 4.622 -0.141 0.763) 4.687 23.982 ( -4.860 0.155 6.516) 8.131 24.081 ( -8.424 -4.615 7.612) 12.256 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 11.202 6.561 1.269) 13.044 1.111 ( -0.842 5.733 0.012) 5.794 1.302 ( 5.260 -5.671 -0.083) 7.735 1.323 ( 6.054 -3.203 -1.170) 6.949 1.377 ( 2.374 3.479 0.298) 4.222 1.429 ( 1.610 2.787 -0.596) 3.273 1.524 ( -0.573 -2.268 -2.469) 3.402 1.603 ( -0.027 -1.832 -1.124) 2.149 1.666 ( 1.668 4.300 1.995) 5.025 1.730 ( 1.255 2.310 4.993) 5.643 1.737 ( 0.516 0.167 -0.747) 0.923 1.790 ( -0.470 -0.950 2.843) 3.034 2.333 ( -5.261 12.294 3.353) 13.786 2.452 ( -5.078 1.672 -2.651) 5.967 2.509 ( -4.063 -3.960 -3.682) 6.763 2.597 ( -6.949 0.946 -7.234) 10.075 2.807 ( 1.834 16.309 -2.513) 16.603 2.959 ( -2.467 7.496 -3.279) 8.546 3.553 ( 0.612 2.521 4.669) 5.341 3.630 ( -1.839 0.620 5.135) 5.489 3.804 ( 10.045 -5.345 0.821) 11.408 3.832 ( 6.973 -2.646 -0.476) 7.474 3.956 ( 1.385 -6.876 -1.292) 7.132 4.083 ( -0.157 -8.189 1.543) 8.335 4.367 ( 5.250 -2.766 2.845) 6.580 4.473 ( 8.845 -2.440 1.082) 9.239 4.780 ( -11.099 3.556 -0.129) 11.656 4.891 ( -10.202 -1.751 -2.721) 10.703 7.288 ( 8.506 0.742 5.914) 10.386 7.430 ( 4.843 -6.099 3.175) 8.411 7.694 ( -9.014 0.911 -1.557) 9.193 7.850 ( -13.062 -5.359 -2.542) 14.345 8.560 ( 8.167 9.123 3.019) 12.612 8.817 ( -1.582 3.598 -1.548) 4.225 8.931 ( 3.925 10.053 -0.115) 10.792 8.982 ( -2.727 8.273 -1.050) 8.774 9.011 ( 0.607 -5.777 1.022) 5.898 9.147 ( -1.117 -5.500 -0.131) 5.613 9.320 ( 2.079 -4.588 -1.307) 5.204 9.354 ( 0.187 -3.529 -2.189) 4.156 11.938 ( 6.101 10.044 1.204) 11.814 12.133 ( -1.849 7.078 -1.367) 7.442 12.536 ( 0.058 -12.847 1.266) 12.909 12.665 ( -4.499 -12.416 -0.577) 13.218 13.720 ( 1.616 11.620 -2.900) 12.085 13.789 ( -1.279 12.100 -2.553) 12.432 14.092 ( 3.913 -6.748 -2.094) 8.077 14.243 ( -2.592 -9.396 -3.330) 10.300 18.639 ( 7.646 10.299 4.331) 13.538 18.976 ( -1.463 6.668 -3.936) 7.880 19.089 ( 0.587 0.331 -2.040) 2.149 19.455 ( -9.940 -6.535 -8.776) 14.782 20.064 ( 5.593 11.180 2.252) 12.702 20.329 ( -3.215 1.492 0.625) 3.599 20.473 ( -1.773 -1.037 -1.014) 2.291 20.760 ( -10.867 -11.986 -5.823) 17.195 23.581 ( 5.872 1.195 1.893) 6.285 23.616 ( 5.783 -0.258 1.686) 6.030 23.869 ( -6.139 -0.656 4.761) 7.797 23.913 ( -7.875 -2.640 6.083) 10.295 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -6.539 6.311 0.949) 9.137 1.036 ( 6.539 6.311 0.949) 9.137 1.377 ( -1.543 -6.746 -2.338) 7.305 1.377 ( 1.543 -6.746 -2.338) 7.305 1.423 ( -2.486 3.678 0.550) 4.474 1.423 ( 2.486 3.678 0.550) 4.474 1.563 ( -3.579 -1.249 0.217) 3.797 1.563 ( 3.579 -1.249 0.217) 3.797 1.696 ( -1.978 3.537 0.824) 4.135 1.696 ( 1.978 3.537 0.824) 4.135 1.781 ( -1.141 0.580 3.214) 3.459 1.781 ( 1.141 0.580 3.214) 3.459 2.316 ( -4.261 11.336 1.342) 12.184 2.316 ( 4.261 11.336 1.342) 12.184 2.506 ( -2.440 -4.122 -7.189) 8.638 2.506 ( 2.440 -4.122 -7.189) 8.638 2.883 ( -4.511 11.598 -3.085) 12.821 2.883 ( 4.511 11.598 -3.085) 12.821 3.582 ( -2.294 2.383 5.290) 6.239 3.582 ( 2.294 2.383 5.290) 6.239 3.914 ( -1.317 -9.362 -1.472) 9.568 3.914 ( 1.317 -9.362 -1.472) 9.568 4.021 ( -5.398 -5.426 1.894) 7.885 4.021 ( 5.398 -5.426 1.894) 7.885 4.544 ( -11.075 1.955 1.703) 11.374 4.544 ( 11.075 1.955 1.703) 11.374 4.677 ( -10.461 -2.300 -1.135) 10.771 4.677 ( 10.461 -2.300 -1.135) 10.771 7.470 ( -7.780 0.329 2.588) 8.206 7.470 ( 7.780 0.329 2.588) 8.206 7.617 ( -8.240 -5.865 -0.010) 10.114 7.617 ( 8.240 -5.865 -0.010) 10.114 8.721 ( -7.196 7.225 0.867) 10.234 8.721 ( 7.196 7.225 0.867) 10.234 8.942 ( -1.004 9.493 -1.427) 9.652 8.942 ( 1.004 9.493 -1.427) 9.652 9.100 ( -4.024 -5.483 1.128) 6.894 9.100 ( 4.024 -5.483 1.128) 6.894 9.347 ( -0.810 -4.718 -1.868) 5.139 9.347 ( 0.810 -4.718 -1.868) 5.139 12.057 ( -5.252 10.297 1.184) 11.619 12.057 ( 5.252 10.297 1.184) 11.619 12.578 ( -3.647 -14.669 -0.839) 15.139 12.578 ( 3.647 -14.669 -0.839) 15.139 13.757 ( -1.854 12.271 -2.927) 12.751 13.757 ( 1.854 12.271 -2.927) 12.751 14.175 ( -3.966 -7.988 -3.234) 9.487 14.175 ( 3.966 -7.988 -3.234) 9.487 18.815 ( -9.372 12.950 0.790) 16.005 18.815 ( 9.372 12.950 0.790) 16.005 19.247 ( -10.124 -7.179 -5.156) 13.440 19.247 ( 10.124 -7.179 -5.156) 13.440 20.196 ( -7.270 7.595 2.846) 10.892 20.196 ( 7.270 7.595 2.846) 10.892 20.564 ( -7.978 -8.793 -5.481) 13.077 20.564 ( 7.978 -8.793 -5.481) 13.077 23.695 ( -2.817 1.472 2.696) 4.168 23.695 ( 2.817 1.472 2.696) 4.168 23.782 ( -2.672 -2.498 4.155) 5.535 23.782 ( 2.672 -2.498 4.155) 5.535 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.000 -10.543 -2.335) 10.798 0.700 ( 0.000 10.543 -2.335) 10.798 0.815 ( 0.000 -1.587 7.754) 7.914 0.815 ( 0.000 1.587 7.754) 7.914 1.458 ( 0.000 -2.664 -3.670) 4.535 1.458 ( 0.000 2.664 -3.670) 4.535 1.514 ( 0.000 -4.330 -5.296) 6.841 1.514 ( 0.000 4.330 -5.296) 6.841 1.675 ( 0.000 -9.611 4.029) 10.422 1.675 ( 0.000 9.611 4.029) 10.422 1.716 ( 0.000 -2.632 0.849) 2.766 1.716 ( 0.000 2.632 0.849) 2.766 2.584 ( 0.000 -2.195 1.165) 2.485 2.584 ( 0.000 2.195 1.165) 2.485 2.745 ( 0.000 -14.067 -8.709) 16.544 2.745 ( 0.000 14.067 -8.709) 16.544 3.139 ( 0.000 -4.966 -0.139) 4.968 3.139 ( 0.000 4.966 -0.139) 4.968 3.391 ( 0.000 -3.843 0.443) 3.869 3.391 ( 0.000 3.843 0.443) 3.869 3.541 ( 0.000 -5.209 -0.809) 5.271 3.541 ( 0.000 5.209 -0.809) 5.271 4.014 ( 0.000 -4.602 1.215) 4.760 4.014 ( 0.000 4.602 1.215) 4.760 4.189 ( 0.000 -5.251 4.121) 6.675 4.189 ( 0.000 5.251 4.121) 6.675 5.205 ( 0.000 -2.115 -3.100) 3.753 5.205 ( 0.000 2.115 -3.100) 3.753 7.258 ( 0.000 -9.525 13.005) 16.120 7.258 ( 0.000 9.525 13.005) 16.120 8.250 ( 0.000 -6.992 -4.743) 8.449 8.250 ( 0.000 6.992 -4.743) 8.449 8.441 ( 0.000 -8.962 -2.435) 9.287 8.441 ( 0.000 8.962 -2.435) 9.287 8.839 ( 0.000 -4.140 -5.004) 6.495 8.839 ( 0.000 4.140 -5.004) 6.495 9.160 ( 0.000 -3.894 0.209) 3.899 9.160 ( 0.000 3.894 0.209) 3.899 9.255 ( 0.000 -3.649 -0.118) 3.651 9.255 ( 0.000 3.649 -0.118) 3.651 11.905 ( 0.000 -10.183 -2.448) 10.473 11.905 ( 0.000 10.183 -2.448) 10.473 12.699 ( 0.000 -3.208 2.031) 3.797 12.699 ( 0.000 3.208 2.031) 3.797 13.860 ( 0.000 -2.967 -0.988) 3.127 13.860 ( 0.000 2.967 -0.988) 3.127 14.036 ( 0.000 -6.742 1.379) 6.882 14.036 ( 0.000 6.742 1.379) 6.882 18.551 ( 0.000 -7.927 5.222) 9.492 18.551 ( 0.000 7.927 5.222) 9.492 19.605 ( 0.000 -9.455 -11.850) 15.160 19.605 ( 0.000 9.455 -11.850) 15.160 20.219 ( 0.000 -9.180 -0.099) 9.180 20.219 ( 0.000 9.180 -0.099) 9.180 21.067 ( 0.000 -3.280 -6.237) 7.047 21.067 ( 0.000 3.280 -6.237) 7.047 23.407 ( 0.000 -0.084 0.378) 0.387 23.407 ( 0.000 0.084 0.378) 0.387 24.158 ( 0.000 -5.290 8.461) 9.979 24.158 ( 0.000 5.290 8.461) 9.979 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 4.260 -15.495 -3.232) 16.392 0.734 ( 4.260 15.495 -3.232) 16.392 0.942 ( 10.102 -2.433 6.047) 12.022 0.942 ( 10.102 2.433 6.047) 12.022 1.447 ( -1.018 -2.851 -3.414) 4.563 1.447 ( -1.018 2.851 -3.414) 4.563 1.518 ( 0.451 -4.662 -4.936) 6.804 1.518 ( 0.451 4.662 -4.936) 6.804 1.688 ( 1.171 -7.409 3.544) 8.296 1.688 ( 1.171 7.409 3.544) 8.296 1.718 ( 0.249 -1.322 1.615) 2.102 1.718 ( 0.249 1.322 1.615) 2.102 2.566 ( -1.824 -1.769 0.839) 2.677 2.566 ( -1.824 1.769 0.839) 2.677 2.722 ( -2.478 -11.156 -8.592) 14.297 2.722 ( -2.478 11.156 -8.592) 14.297 3.163 ( 1.826 -5.520 -0.953) 5.892 3.163 ( 1.826 5.520 -0.953) 5.892 3.438 ( 4.787 -3.015 1.487) 5.850 3.438 ( 4.787 3.015 1.487) 5.850 3.516 ( -1.995 -6.884 -0.545) 7.188 3.516 ( -1.995 6.884 -0.545) 7.188 4.007 ( -0.673 -3.054 1.514) 3.475 4.007 ( -0.673 3.054 1.514) 3.475 4.208 ( 1.914 -5.122 4.434) 7.039 4.208 ( 1.914 5.122 4.434) 7.039 5.163 ( -4.182 -2.119 -3.118) 5.630 5.163 ( -4.182 2.119 -3.118) 5.630 7.237 ( -1.336 -8.505 11.161) 14.095 7.237 ( -1.336 8.505 11.161) 14.095 8.205 ( -7.321 -8.291 -6.890) 13.031 8.205 ( -7.321 8.291 -6.890) 13.031 8.437 ( 4.013 -7.579 1.235) 8.664 8.437 ( 4.013 7.579 1.235) 8.664 8.918 ( 5.569 -7.151 -4.350) 10.054 8.918 ( 5.569 7.151 -4.350) 10.054 9.149 ( -1.351 -3.034 -0.038) 3.321 9.149 ( -1.351 3.034 -0.038) 3.321 9.252 ( 0.083 -4.502 -0.249) 4.509 9.252 ( 0.083 4.502 -0.249) 4.509 11.935 ( 2.968 -9.989 -2.336) 10.679 11.935 ( 2.968 9.989 -2.336) 10.679 12.669 ( -2.926 -4.354 2.152) 5.670 12.669 ( -2.926 4.354 2.152) 5.670 13.860 ( 0.235 -5.206 -1.160) 5.339 13.860 ( 0.235 5.206 -1.160) 5.339 14.044 ( 0.588 -9.298 0.384) 9.324 14.044 ( 0.588 9.298 0.384) 9.324 18.586 ( 3.388 -8.333 4.702) 10.150 18.586 ( 3.388 8.333 4.702) 10.150 19.573 ( -3.289 -9.495 -11.807) 15.504 19.573 ( -3.289 9.495 -11.807) 15.504 20.221 ( 0.239 -9.273 -0.298) 9.281 20.221 ( 0.239 9.273 -0.298) 9.281 20.973 ( -8.690 -6.256 -4.386) 11.571 20.973 ( -8.690 6.256 -4.386) 11.571 23.431 ( 2.310 -0.467 0.521) 2.414 23.431 ( 2.310 0.467 0.521) 2.414 24.115 ( -4.054 -4.339 8.141) 10.076 24.115 ( -4.054 4.339 8.141) 10.076 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 8.359 -14.834 -3.417) 17.366 0.868 ( 8.359 14.834 -3.417) 17.366 1.150 ( 9.123 -0.923 2.795) 9.586 1.150 ( 9.123 0.923 2.795) 9.586 1.426 ( -0.707 -2.509 -2.664) 3.727 1.426 ( -0.707 2.509 -2.664) 3.727 1.530 ( 0.665 -2.914 -3.428) 4.548 1.530 ( 0.665 2.914 -3.428) 4.548 1.712 ( 0.995 -0.329 1.801) 2.083 1.712 ( 0.995 0.329 1.801) 2.083 1.733 ( 1.398 -3.471 3.730) 5.284 1.733 ( 1.398 3.471 3.730) 5.284 2.511 ( -3.508 -1.154 -0.090) 3.694 2.511 ( -3.508 1.154 -0.090) 3.694 2.638 ( -5.739 -6.648 -7.998) 11.878 2.638 ( -5.739 6.648 -7.998) 11.878 3.199 ( 1.809 -2.555 -1.567) 3.501 3.199 ( 1.809 2.555 -1.567) 3.501 3.447 ( -3.128 -2.178 -0.422) 3.835 3.447 ( -3.128 2.178 -0.422) 3.835 3.609 ( 9.821 -4.325 2.437) 11.005 3.609 ( 9.821 4.325 2.437) 11.005 3.988 ( -1.116 -2.943 2.524) 4.035 3.988 ( -1.116 2.943 2.524) 4.035 4.268 ( 4.217 -2.780 4.335) 6.656 4.268 ( 4.217 2.780 4.335) 6.656 5.039 ( -7.950 -2.264 -2.778) 8.721 5.039 ( -7.950 2.264 -2.778) 8.721 7.238 ( 2.047 -5.993 7.662) 9.941 7.238 ( 2.047 5.993 7.662) 9.941 7.995 ( -11.859 -6.711 -5.622) 14.741 7.995 ( -11.859 6.711 -5.622) 14.741 8.583 ( 8.552 -8.873 2.834) 12.645 8.583 ( 8.552 8.873 2.834) 12.645 9.012 ( 3.158 -7.879 -2.728) 8.916 9.012 ( 3.158 7.879 -2.728) 8.916 9.105 ( -2.369 -1.312 -1.266) 2.989 9.105 ( -2.369 1.312 -1.266) 2.989 9.263 ( 0.602 -4.278 -0.212) 4.325 9.263 ( 0.602 4.278 -0.212) 4.325 12.021 ( 5.335 -9.437 -1.874) 11.002 12.021 ( 5.335 9.437 -1.874) 11.002 12.581 ( -5.610 -5.975 2.154) 8.475 12.581 ( -5.610 5.975 2.154) 8.475 13.879 ( 1.772 -7.415 -1.915) 7.861 13.879 ( 1.772 7.415 -1.915) 7.861 14.050 ( -0.220 -11.245 -1.350) 11.328 14.050 ( -0.220 11.245 -1.350) 11.328 18.688 ( 6.620 -9.265 3.189) 11.825 18.688 ( 6.620 9.265 3.189) 11.825 19.467 ( -7.179 -9.852 -10.664) 16.196 19.467 ( -7.179 9.852 -10.664) 16.196 20.234 ( 1.268 -8.964 -0.822) 9.091 20.234 ( 1.268 8.964 -0.822) 9.091 20.755 ( -11.711 -8.793 -1.318) 14.704 20.755 ( -11.711 8.793 -1.318) 14.704 23.499 ( 4.357 -0.817 0.995) 4.543 23.499 ( 4.357 0.817 0.995) 4.543 24.007 ( -6.221 -2.491 6.985) 9.680 24.007 ( -6.221 2.491 6.985) 9.680 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 8.713 -11.468 -2.696) 14.652 1.048 ( 8.713 11.468 -2.696) 14.652 1.261 ( 0.722 -5.248 -1.019) 5.394 1.261 ( 0.722 5.248 -1.019) 5.394 1.442 ( 2.898 -2.140 -0.021) 3.603 1.442 ( 2.898 2.140 -0.021) 3.603 1.539 ( -0.133 -3.554 -1.173) 3.745 1.539 ( -0.133 3.554 -1.173) 3.745 1.736 ( 1.451 -1.677 2.497) 3.340 1.736 ( 1.451 1.677 2.497) 3.340 1.760 ( 0.943 -1.219 2.908) 3.291 1.760 ( 0.943 1.219 2.908) 3.291 2.438 ( -3.013 -2.418 -2.085) 4.390 2.438 ( -3.013 2.418 -2.085) 4.390 2.509 ( -6.168 -4.486 -6.630) 10.105 2.509 ( -6.168 4.486 -6.630) 10.105 3.244 ( 2.749 -7.221 -1.425) 7.857 3.244 ( 2.749 7.221 -1.425) 7.857 3.380 ( -3.457 -6.405 -0.695) 7.311 3.380 ( -3.457 6.405 -0.695) 7.311 3.799 ( 7.755 -3.387 2.707) 8.885 3.799 ( 7.755 3.387 2.707) 8.885 3.961 ( -1.649 -5.238 3.211) 6.362 3.961 ( -1.649 5.238 3.211) 6.362 4.396 ( 8.673 -4.237 2.998) 10.108 4.396 ( 8.673 4.237 2.998) 10.108 4.846 ( -10.853 -2.817 -1.526) 11.316 4.846 ( -10.853 2.817 -1.526) 11.316 7.331 ( 7.039 -3.592 4.161) 8.931 7.331 ( 7.039 3.592 4.161) 8.931 7.749 ( -12.134 -4.301 -2.780) 13.171 7.749 ( -12.134 4.301 -2.780) 13.171 8.749 ( 7.469 -8.907 2.183) 11.827 8.749 ( 7.469 8.907 2.183) 11.827 8.991 ( -4.365 -4.932 -0.674) 6.621 8.991 ( -4.365 4.932 -0.674) 6.621 9.125 ( 3.787 -4.917 -2.282) 6.612 9.125 ( 3.787 4.917 -2.282) 6.612 9.258 ( -1.359 -3.532 -0.208) 3.791 9.258 ( -1.359 3.532 -0.208) 3.791 12.146 ( 6.909 -8.643 -0.938) 11.105 12.146 ( 6.909 8.643 -0.938) 11.105 12.449 ( -7.274 -7.022 1.520) 10.224 12.449 ( -7.274 7.022 1.520) 10.224 13.928 ( 2.888 -9.079 -2.734) 9.912 13.928 ( 2.888 9.079 -2.734) 9.912 14.032 ( -1.585 -11.309 -2.582) 11.708 14.032 ( -1.585 11.309 -2.582) 11.708 18.852 ( 9.440 -10.157 0.690) 13.883 18.852 ( 9.440 10.157 0.690) 13.883 19.286 ( -10.400 -10.401 -7.273) 16.408 19.286 ( -10.400 10.401 -7.273) 16.408 20.279 ( 3.281 -7.780 -1.266) 8.538 20.279 ( 3.281 7.780 -1.266) 8.538 20.533 ( -9.611 -8.294 -0.381) 12.700 20.533 ( -9.611 8.294 -0.381) 12.700 23.604 ( 5.881 -0.956 1.911) 6.257 23.604 ( 5.881 0.956 1.911) 6.257 23.872 ( -6.893 -1.140 5.180) 8.698 23.872 ( -6.893 1.140 5.180) 8.698 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -5.503 -9.216 -2.302) 10.979 1.200 ( 4.760 -9.112 -2.302) 10.536 1.200 ( -4.760 9.112 -2.302) 10.536 1.200 ( 5.503 9.216 -2.302) 10.979 1.511 ( -2.544 -3.765 0.736) 4.603 1.511 ( 1.867 -3.665 0.736) 4.178 1.511 ( -1.867 3.665 0.736) 4.178 1.511 ( 2.544 3.765 0.736) 4.603 1.763 ( -0.631 -2.428 2.478) 3.526 1.763 ( 0.503 -2.421 2.478) 3.501 1.763 ( -0.503 2.421 2.478) 3.501 1.763 ( 0.631 2.428 2.478) 3.526 2.421 ( -1.859 -3.708 -4.660) 6.238 2.421 ( 1.848 -3.706 -4.660) 6.234 2.421 ( -1.848 3.706 -4.660) 6.234 2.421 ( 1.859 3.708 -4.660) 6.238 3.309 ( -1.571 -23.816 -1.067) 23.892 3.309 ( 1.142 -23.810 -1.067) 23.861 3.309 ( -1.142 23.810 -1.067) 23.861 3.309 ( 1.571 23.816 -1.067) 23.892 3.911 ( -3.345 -5.438 3.154) 7.121 3.911 ( 2.676 -5.344 3.154) 6.758 3.911 ( -2.676 5.344 3.154) 6.758 3.911 ( 3.345 5.438 3.154) 7.121 4.611 ( -11.804 -3.892 0.614) 12.444 4.611 ( -11.577 3.717 0.614) 12.174 4.611 ( 11.577 -3.717 0.614) 12.174 4.611 ( 11.804 3.892 0.614) 12.444 7.514 ( -10.146 -3.620 0.677) 10.793 7.514 ( -7.109 -0.065 0.677) 7.142 7.514 ( 7.109 0.065 0.677) 7.142 7.514 ( 10.146 3.620 0.677) 10.793 8.884 ( -5.208 -8.312 0.345) 9.815 8.884 ( 3.285 -8.062 0.345) 8.713 8.884 ( -3.285 8.062 0.345) 8.713 8.884 ( 5.208 8.312 0.345) 9.815 9.206 ( -2.208 -8.933 -0.883) 9.244 9.206 ( 1.078 -8.881 -0.883) 8.989 9.206 ( -1.078 8.881 -0.883) 8.989 9.206 ( 2.208 8.933 -0.883) 9.244 12.295 ( -5.641 -12.907 0.329) 14.090 12.295 ( 2.694 -12.667 0.329) 12.954 12.295 ( -2.694 12.667 0.329) 12.954 12.295 ( 5.641 12.907 0.329) 14.090 13.987 ( -2.684 -10.511 -3.025) 11.263 13.987 ( 2.670 -10.511 -3.025) 11.259 13.987 ( -2.670 10.511 -3.025) 11.259 13.987 ( 2.684 10.511 -3.025) 11.263 19.063 ( -10.883 -11.011 -2.914) 15.754 19.063 ( 9.331 -10.649 -2.914) 14.456 19.063 ( -9.331 10.649 -2.914) 14.456 19.063 ( 10.883 11.011 -2.914) 15.754 20.373 ( -5.201 -9.487 -1.008) 10.866 20.373 ( 3.258 -9.268 -1.008) 9.876 20.373 ( -3.258 9.268 -1.008) 9.876 20.373 ( 5.201 9.487 -1.008) 10.866 23.733 ( -6.047 -1.696 3.345) 7.115 23.733 ( -5.175 -0.658 3.345) 6.197 23.733 ( 5.175 0.658 3.345) 6.197 23.733 ( 6.047 1.696 3.345) 7.115 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 0.000 12.119) 12.119 1.004 ( 0.000 0.000 10.271) 10.271 1.205 ( 0.000 0.000 2.394) 2.394 1.207 ( 0.000 0.000 -1.210) 1.210 1.326 ( 0.000 0.000 -1.327) 1.327 1.336 ( 0.000 0.000 -2.378) 2.378 1.384 ( 0.000 0.000 13.581) 13.581 1.408 ( 0.000 0.000 -2.572) 2.572 1.462 ( 0.000 0.000 -4.927) 4.927 1.616 ( 0.000 0.000 -2.180) 2.180 1.729 ( 0.000 0.000 -7.960) 7.960 1.892 ( 0.000 0.000 -0.323) 0.323 2.519 ( 0.000 0.000 10.287) 10.287 2.626 ( 0.000 0.000 3.807) 3.807 2.896 ( 0.000 0.000 3.939) 3.939 3.042 ( 0.000 0.000 1.437) 1.437 3.112 ( 0.000 0.000 3.398) 3.398 3.127 ( 0.000 0.000 1.603) 1.603 3.261 ( 0.000 0.000 0.869) 0.869 3.304 ( 0.000 0.000 -4.553) 4.553 3.375 ( 0.000 0.000 -3.284) 3.284 3.436 ( 0.000 0.000 -2.193) 2.193 3.740 ( 0.000 0.000 -0.224) 0.224 3.962 ( 0.000 0.000 -8.222) 8.222 4.272 ( 0.000 0.000 2.729) 2.729 4.439 ( 0.000 0.000 -4.045) 4.045 5.104 ( 0.000 0.000 1.489) 1.489 5.258 ( 0.000 0.000 -5.745) 5.745 7.134 ( 0.000 0.000 11.310) 11.310 7.624 ( 0.000 0.000 -10.524) 10.524 8.092 ( 0.000 0.000 5.385) 5.385 8.102 ( 0.000 0.000 18.879) 18.879 8.332 ( 0.000 0.000 -5.309) 5.309 8.777 ( 0.000 0.000 -10.293) 10.293 8.784 ( 0.000 0.000 2.423) 2.423 8.876 ( 0.000 0.000 -2.820) 2.820 8.883 ( 0.000 0.000 -0.212) 0.212 8.919 ( 0.000 0.000 -2.015) 2.015 9.295 ( 0.000 0.000 5.110) 5.110 9.553 ( 0.000 0.000 -6.751) 6.751 11.537 ( 0.000 0.000 3.261) 3.261 11.864 ( 0.000 0.000 -11.465) 11.465 12.972 ( 0.000 0.000 4.764) 4.764 13.131 ( 0.000 0.000 8.805) 8.805 13.183 ( 0.000 0.000 -4.703) 4.703 13.494 ( 0.000 0.000 -7.838) 7.838 14.414 ( 0.000 0.000 1.584) 1.584 14.476 ( 0.000 0.000 -1.272) 1.272 18.523 ( 0.000 0.000 10.427) 10.427 18.855 ( 0.000 0.000 -5.794) 5.794 18.931 ( 0.000 0.000 12.869) 12.869 19.641 ( 0.000 0.000 -17.921) 17.921 19.652 ( 0.000 0.000 6.432) 6.432 19.937 ( 0.000 0.000 -6.573) 6.573 21.182 ( 0.000 0.000 2.282) 2.282 21.298 ( 0.000 0.000 -2.539) 2.539 23.376 ( 0.000 0.000 0.290) 0.290 23.389 ( 0.000 0.000 -0.297) 0.297 24.257 ( 0.000 0.000 8.168) 8.168 24.547 ( 0.000 0.000 -5.519) 5.519 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.861 0.000 12.421) 12.451 1.002 ( -0.284 0.000 9.668) 9.672 1.169 ( -2.007 0.000 1.563) 2.544 1.207 ( -0.299 0.000 -0.437) 0.530 1.301 ( -3.967 0.000 -4.347) 5.885 1.336 ( 0.505 0.000 -7.158) 7.175 1.415 ( 2.224 0.000 -0.035) 2.225 1.476 ( 8.172 0.000 15.804) 17.792 1.508 ( 2.976 0.000 -4.423) 5.331 1.612 ( -0.182 0.000 -1.523) 1.534 1.726 ( -0.299 0.000 -7.569) 7.575 1.929 ( 3.386 0.000 1.255) 3.611 2.443 ( -8.342 0.000 6.344) 10.480 2.500 ( -9.951 0.000 3.463) 10.536 2.804 ( -7.900 0.000 2.659) 8.335 3.007 ( -4.132 0.000 9.585) 10.438 3.016 ( -6.296 0.000 -4.829) 7.935 3.208 ( 0.409 0.000 7.213) 7.224 3.319 ( 11.469 0.000 -0.314) 11.473 3.342 ( 4.353 0.000 -2.433) 4.987 3.415 ( 3.417 0.000 -1.354) 3.675 3.584 ( 11.512 0.000 -5.725) 12.857 3.669 ( -6.637 0.000 -0.349) 6.646 3.945 ( -0.725 0.000 -9.109) 9.138 4.353 ( 6.896 0.000 2.872) 7.470 4.497 ( 4.912 0.000 -2.814) 5.661 5.048 ( -5.423 0.000 1.675) 5.676 5.197 ( -5.749 0.000 -5.231) 7.773 7.179 ( 4.314 0.000 10.837) 11.664 7.638 ( 1.353 0.000 -9.640) 9.735 8.004 ( -7.924 0.000 15.770) 17.649 8.144 ( 4.704 0.000 5.260) 7.056 8.373 ( 3.619 0.000 -4.860) 6.060 8.497 ( -14.623 0.000 -5.493) 15.621 8.844 ( -3.112 0.000 0.760) 3.204 8.921 ( -0.594 0.000 -2.968) 3.027 8.951 ( 8.517 0.000 0.641) 8.541 9.052 ( 10.713 0.000 -4.187) 11.502 9.291 ( -0.354 0.000 4.222) 4.237 9.508 ( -4.089 0.000 -5.427) 6.795 11.571 ( 3.169 0.000 3.547) 4.757 11.882 ( 1.575 0.000 -10.261) 10.381 12.968 ( -0.285 0.000 4.103) 4.113 13.140 ( 0.840 0.000 7.932) 7.976 13.168 ( -1.398 0.000 -4.702) 4.906 13.485 ( -1.087 0.000 -7.889) 7.964 14.330 ( -5.759 0.000 3.925) 6.969 14.481 ( -0.919 0.000 -3.383) 3.506 18.529 ( 0.572 0.000 10.372) 10.387 18.825 ( -2.397 0.000 0.259) 2.411 18.966 ( 2.835 0.000 6.097) 6.724 19.601 ( -3.792 0.000 -17.029) 17.446 19.683 ( 3.131 0.000 6.373) 7.101 19.976 ( 3.785 0.000 -7.033) 7.987 21.056 ( -10.877 0.000 4.888) 11.925 21.251 ( -5.426 0.000 -4.969) 7.357 23.399 ( 2.318 0.000 0.593) 2.393 23.420 ( 2.994 0.000 -0.343) 3.014 24.225 ( -3.102 0.000 7.562) 8.174 24.472 ( -6.960 0.000 -3.425) 7.757 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 6.641 0.000 10.079) 12.070 0.991 ( -0.460 0.000 7.550) 7.564 1.164 ( 1.330 0.000 1.147) 1.756 1.194 ( -1.869 0.000 -0.614) 1.967 1.234 ( 0.366 0.000 -2.106) 2.138 1.353 ( 1.237 0.000 -6.844) 6.955 1.475 ( 3.166 0.000 0.633) 3.229 1.562 ( 2.213 0.000 -3.376) 4.037 1.592 ( 0.619 0.000 -2.944) 3.008 1.659 ( 3.994 0.000 3.830) 5.534 1.730 ( 2.857 0.000 3.310) 4.373 2.007 ( 3.501 0.000 5.518) 6.535 2.190 ( -14.968 0.000 3.252) 15.317 2.262 ( -14.204 0.000 0.575) 14.216 2.631 ( -7.942 0.000 -1.729) 8.129 2.806 ( -11.871 0.000 -7.493) 14.038 2.964 ( 0.237 0.000 15.293) 15.295 3.255 ( 2.159 0.000 6.166) 6.533 3.418 ( 0.871 0.000 -2.908) 3.035 3.489 ( -7.224 0.000 8.096) 10.850 3.563 ( 8.950 0.000 -9.408) 12.985 3.575 ( 13.926 0.000 4.201) 14.545 3.860 ( 14.894 0.000 -7.363) 16.615 3.942 ( 0.142 0.000 -10.170) 10.171 4.507 ( 7.466 0.000 3.194) 8.121 4.603 ( 4.914 0.000 -0.377) 4.928 4.893 ( -9.475 0.000 2.293) 9.748 5.042 ( -9.190 0.000 -4.558) 10.258 7.300 ( 7.370 0.000 9.625) 12.123 7.674 ( 1.867 0.000 -7.071) 7.313 7.847 ( -6.462 0.000 10.663) 12.468 8.208 ( -13.512 0.000 -5.114) 14.447 8.259 ( 6.287 0.000 5.186) 8.149 8.454 ( 3.908 0.000 -3.479) 5.233 8.769 ( -4.209 0.000 1.574) 4.494 8.880 ( -3.755 0.000 -3.613) 5.211 9.129 ( 8.302 0.000 1.064) 8.370 9.234 ( 6.992 0.000 -3.403) 7.776 9.285 ( -0.155 0.000 2.132) 2.138 9.410 ( -4.823 0.000 -2.874) 5.614 11.658 ( 5.206 0.000 3.933) 6.525 11.913 ( 1.148 0.000 -6.898) 6.993 12.968 ( 0.387 0.000 2.173) 2.207 13.130 ( -2.288 0.000 -4.557) 5.099 13.163 ( 1.400 0.000 5.453) 5.630 13.438 ( -3.676 0.000 -6.880) 7.800 14.237 ( -2.626 0.000 4.250) 4.995 14.435 ( -3.268 0.000 -4.795) 5.802 18.547 ( 1.301 0.000 9.973) 10.057 18.769 ( -3.014 0.000 3.900) 4.929 19.035 ( 3.902 0.000 0.635) 3.953 19.497 ( -6.205 0.000 -14.556) 15.824 19.780 ( 6.407 0.000 6.234) 8.940 20.086 ( 6.985 0.000 -7.978) 10.604 20.791 ( -14.335 0.000 7.084) 15.990 21.077 ( -11.179 0.000 -7.675) 13.560 23.472 ( 4.911 0.000 1.207) 5.057 23.507 ( 5.451 0.000 -0.241) 5.457 24.133 ( -5.811 0.000 6.043) 8.383 24.291 ( -10.195 0.000 -0.087) 10.196 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 1.743 0.000 5.308) 5.587 1.112 ( -3.324 0.000 -0.039) 3.325 1.156 ( 9.923 0.000 5.506) 11.348 1.288 ( 8.889 0.000 1.342) 8.990 1.319 ( 7.695 0.000 -0.403) 7.705 1.375 ( 0.189 0.000 -4.141) 4.145 1.533 ( 2.389 0.000 0.601) 2.463 1.593 ( 0.861 0.000 -1.994) 2.172 1.598 ( 0.472 0.000 -4.243) 4.269 1.650 ( -1.980 0.000 -6.471) 6.767 1.847 ( 5.541 0.000 13.669) 14.749 1.869 ( -16.204 0.000 2.353) 16.374 1.936 ( -17.093 0.000 -0.453) 17.099 2.032 ( -1.798 0.000 10.878) 11.026 2.518 ( -2.858 0.000 -8.147) 8.634 2.598 ( -7.565 0.000 -10.510) 12.950 3.016 ( 4.627 0.000 14.595) 15.310 3.295 ( 2.142 0.000 4.279) 4.785 3.307 ( -8.921 0.000 7.407) 11.595 3.400 ( -2.139 0.000 -0.950) 2.340 3.754 ( 8.073 0.000 -7.771) 11.206 3.903 ( 16.842 0.000 4.313) 17.385 3.935 ( -1.245 0.000 -10.128) 10.204 4.147 ( 11.883 0.000 -6.299) 13.449 4.635 ( 4.809 0.000 3.352) 5.862 4.680 ( 2.428 0.000 1.835) 3.043 4.685 ( -9.836 0.000 2.767) 10.218 4.835 ( -10.847 0.000 -4.212) 11.635 7.463 ( 8.197 0.000 7.490) 11.104 7.687 ( -1.219 0.000 -2.356) 2.653 7.768 ( -1.080 0.000 5.331) 5.439 7.964 ( -10.165 0.000 -3.158) 10.644 8.399 ( 7.697 0.000 3.789) 8.580 8.526 ( 3.236 0.000 -1.678) 3.646 8.679 ( -4.462 0.000 1.234) 4.629 8.762 ( -7.773 0.000 -2.290) 8.103 9.270 ( 5.349 0.000 0.057) 5.349 9.287 ( 0.435 0.000 0.219) 0.487 9.332 ( 2.599 0.000 -2.523) 3.622 9.335 ( -2.422 0.000 -1.497) 2.848 11.769 ( 5.359 0.000 3.422) 6.359 11.915 ( -1.182 0.000 -2.481) 2.749 12.988 ( 1.602 0.000 -0.425) 1.657 13.080 ( -2.551 0.000 -3.960) 4.710 13.199 ( 2.199 0.000 2.008) 2.978 13.347 ( -4.859 0.000 -4.365) 6.531 14.230 ( 1.604 0.000 1.339) 2.090 14.361 ( -3.857 0.000 -4.216) 5.714 18.583 ( 2.255 0.000 8.901) 9.182 18.704 ( -3.322 0.000 5.730) 6.623 19.124 ( 4.877 0.000 -3.410) 5.950 19.363 ( -6.709 0.000 -11.053) 12.930 19.943 ( 9.618 0.000 6.147) 11.414 20.242 ( 6.648 0.000 -6.954) 9.620 20.515 ( -10.751 0.000 5.268) 11.972 20.821 ( -13.486 0.000 -9.049) 16.241 23.594 ( 6.769 0.000 1.797) 7.004 23.633 ( 6.545 0.000 0.234) 6.549 24.000 ( -6.809 0.000 4.304) 8.055 24.081 ( -9.989 0.000 1.633) 10.122 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -2.733 0.000 2.762) 3.886 1.051 ( 2.733 0.000 2.762) 3.886 1.326 ( -5.656 0.000 0.374) 5.668 1.326 ( 5.656 0.000 0.374) 5.668 1.480 ( -1.700 0.000 -0.312) 1.729 1.480 ( 1.700 0.000 -0.312) 1.729 1.582 ( -7.101 0.000 1.778) 7.321 1.582 ( 7.101 0.000 1.778) 7.321 1.615 ( -1.264 0.000 -5.131) 5.284 1.615 ( 1.264 0.000 -5.131) 5.284 1.637 ( -7.972 0.000 -0.629) 7.996 1.637 ( 7.972 0.000 -0.629) 7.996 1.949 ( -5.079 0.000 12.576) 13.563 1.949 ( 5.079 0.000 12.576) 13.563 2.509 ( -1.718 0.000 -11.102) 11.234 2.509 ( 1.718 0.000 -11.102) 11.234 3.140 ( -7.392 0.000 11.120) 13.353 3.140 ( 7.392 0.000 11.120) 13.353 3.346 ( -2.829 0.000 1.793) 3.349 3.346 ( 2.829 0.000 1.793) 3.349 3.880 ( -4.356 0.000 -9.256) 10.230 3.880 ( 4.356 0.000 -9.256) 10.230 4.196 ( -9.465 0.000 0.830) 9.502 4.196 ( 9.465 0.000 0.830) 9.502 4.632 ( -6.969 0.000 -2.255) 7.325 4.632 ( 6.969 0.000 -2.255) 7.325 4.695 ( -1.084 0.000 3.059) 3.245 4.695 ( 1.084 0.000 3.059) 3.245 7.612 ( -6.008 0.000 3.435) 6.920 7.612 ( 6.008 0.000 3.435) 6.920 7.808 ( -5.005 0.000 0.459) 5.026 7.808 ( 5.005 0.000 0.459) 5.026 8.563 ( -5.943 0.000 0.558) 5.970 8.563 ( 5.943 0.000 0.558) 5.970 8.610 ( -2.681 0.000 0.044) 2.681 8.610 ( 2.681 0.000 0.044) 2.681 9.303 ( -1.071 0.000 -0.890) 1.392 9.303 ( 1.071 0.000 -0.890) 1.392 9.341 ( -1.606 0.000 -1.326) 2.083 9.341 ( 1.606 0.000 -1.326) 2.083 11.864 ( -3.772 0.000 1.287) 3.986 11.864 ( 3.772 0.000 1.287) 3.986 13.029 ( -2.356 0.000 -2.625) 3.527 13.029 ( 2.356 0.000 -2.625) 3.527 13.258 ( -3.687 0.000 -1.404) 3.946 13.258 ( 3.687 0.000 -1.404) 3.946 14.285 ( -3.458 0.000 -1.940) 3.966 14.285 ( 3.459 0.000 -1.940) 3.966 18.638 ( -3.089 0.000 7.332) 7.956 18.638 ( 3.089 0.000 7.332) 7.956 19.233 ( -5.937 0.000 -7.209) 9.339 19.233 ( 5.937 0.000 -7.209) 9.339 20.161 ( -11.138 0.000 5.519) 12.431 20.161 ( 11.138 0.000 5.519) 12.431 20.558 ( -11.461 0.000 -8.335) 14.171 20.558 ( 11.461 0.000 -8.335) 14.171 23.709 ( -2.078 0.000 1.543) 2.588 23.709 ( 2.078 0.000 1.543) 2.588 23.927 ( -2.848 0.000 2.519) 3.802 23.927 ( 2.848 0.000 2.519) 3.802 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.000 -10.467 13.339) 16.956 0.907 ( 0.000 0.115 11.474) 11.474 1.186 ( 0.000 -2.432 3.141) 3.972 1.211 ( 0.000 -10.745 -3.180) 11.206 1.251 ( 0.000 3.592 -2.064) 4.143 1.310 ( 0.000 0.396 -1.352) 1.409 1.362 ( 0.000 0.126 -4.273) 4.274 1.452 ( 0.000 -1.036 -4.903) 5.011 1.501 ( 0.000 4.785 8.666) 9.899 1.619 ( 0.000 1.009 -0.832) 1.308 1.752 ( 0.000 1.311 -6.358) 6.492 1.869 ( 0.000 -2.116 -0.658) 2.216 2.511 ( 0.000 0.014 9.125) 9.125 2.706 ( 0.000 7.084 1.242) 7.192 2.838 ( 0.000 -4.544 5.009) 6.763 2.884 ( 0.000 -13.203 3.892) 13.765 3.018 ( 0.000 -8.704 -4.783) 9.932 3.091 ( 0.000 3.539 -1.246) 3.752 3.334 ( 0.000 2.779 1.588) 3.201 3.360 ( 0.000 3.087 1.594) 3.475 3.443 ( 0.000 1.091 -1.415) 1.787 3.509 ( 0.000 8.597 -4.066) 9.511 3.804 ( 0.000 5.491 0.372) 5.503 3.995 ( 0.000 2.639 -6.492) 7.008 4.246 ( 0.000 -1.995 3.579) 4.098 4.411 ( 0.000 -2.662 -2.925) 3.955 5.110 ( 0.000 0.519 0.565) 0.767 5.231 ( 0.000 -2.376 -4.908) 5.453 7.190 ( 0.000 5.498 12.075) 13.268 7.700 ( 0.000 7.192 -10.279) 12.545 7.960 ( 0.000 -7.400 13.493) 15.389 8.204 ( 0.000 4.652 9.522) 10.597 8.307 ( 0.000 -2.374 -5.626) 6.107 8.686 ( 0.000 -5.751 -1.386) 5.915 8.759 ( 0.000 -1.890 -0.396) 1.931 8.812 ( 0.000 -2.265 -9.846) 10.103 8.986 ( 0.000 5.512 0.261) 5.518 9.055 ( 0.000 8.729 -2.197) 9.002 9.265 ( 0.000 -2.491 3.823) 4.563 9.456 ( 0.000 -8.365 -5.370) 9.941 11.592 ( 0.000 5.097 3.235) 6.036 11.903 ( 0.000 3.000 -10.732) 11.144 12.909 ( 0.000 -10.708 3.984) 11.426 12.916 ( 0.000 -4.884 2.735) 5.597 13.430 ( 0.000 13.449 -0.261) 13.452 13.560 ( 0.000 5.934 -5.440) 8.050 14.360 ( 0.000 -5.179 1.077) 5.290 14.379 ( 0.000 -8.629 0.621) 8.652 18.556 ( 0.000 2.532 10.079) 10.392 18.821 ( 0.000 -3.118 -3.751) 4.878 19.024 ( 0.000 8.223 6.132) 10.258 19.588 ( 0.000 -4.326 -16.280) 16.845 19.748 ( 0.000 9.484 6.609) 11.560 20.040 ( 0.000 8.733 -6.602) 10.948 21.131 ( 0.000 -4.911 1.632) 5.175 21.241 ( 0.000 -5.464 -2.729) 6.107 23.386 ( 0.000 0.897 0.272) 0.937 23.394 ( 0.000 0.513 -0.149) 0.534 24.250 ( 0.000 -0.517 7.667) 7.684 24.494 ( 0.000 -4.804 -3.450) 5.914 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -1.909 -7.915 14.578) 16.697 1.009 ( 4.324 -0.103 7.535) 8.688 1.163 ( -0.469 -3.286 1.488) 3.637 1.233 ( -0.503 1.417 -2.239) 2.697 1.262 ( 1.870 -1.557 -1.768) 3.008 1.320 ( 1.301 -2.021 -3.475) 4.225 1.385 ( 1.314 -0.362 -4.589) 4.788 1.468 ( 3.258 -0.422 -0.555) 3.332 1.566 ( 5.201 3.793 7.950) 10.230 1.610 ( -0.803 0.669 -0.808) 1.321 1.745 ( -0.764 1.127 -6.108) 6.258 1.901 ( 2.895 -2.557 0.841) 3.953 2.479 ( -3.612 2.342 7.260) 8.440 2.598 ( -9.177 9.793 2.483) 13.648 2.745 ( -8.591 -4.638 0.712) 9.789 2.871 ( -5.722 -7.294 -2.128) 9.511 2.902 ( -2.146 -9.033 3.656) 9.979 3.168 ( -2.671 -8.442 -4.155) 9.781 3.327 ( 7.392 6.633 7.459) 12.420 3.411 ( 4.914 3.663 1.941) 6.429 3.496 ( 4.399 4.092 -1.846) 6.285 3.633 ( 9.257 3.920 -5.593) 11.504 3.772 ( -3.068 7.746 0.681) 8.359 3.993 ( 0.294 3.868 -6.640) 7.690 4.305 ( 5.138 -4.160 3.399) 7.433 4.448 ( 3.229 -4.280 -2.223) 5.804 5.058 ( -4.988 0.839 0.714) 5.108 5.175 ( -5.247 -1.883 -4.547) 7.194 7.218 ( 2.901 3.914 11.379) 12.378 7.690 ( -0.694 5.040 -9.418) 10.704 7.889 ( -6.609 -8.290 13.868) 17.456 8.218 ( 2.547 3.953 4.547) 6.541 8.326 ( -1.558 -2.822 -4.259) 5.341 8.555 ( -6.389 4.298 -5.858) 9.675 8.770 ( 4.974 -5.386 2.289) 7.680 8.917 ( -0.147 1.322 -3.004) 3.285 9.066 ( 6.753 4.053 -2.401) 8.234 9.068 ( 3.391 3.977 -1.420) 5.416 9.263 ( -0.107 -2.211 2.697) 3.489 9.420 ( -3.297 -7.703 -4.495) 9.509 11.625 ( 3.215 5.136 3.427) 6.961 11.921 ( 1.635 3.135 -9.664) 10.290 12.878 ( -1.952 -8.930 3.720) 9.869 12.930 ( 0.209 -7.778 1.676) 7.959 13.425 ( -0.455 13.316 -0.178) 13.325 13.559 ( -0.351 6.542 -5.510) 8.560 14.272 ( -5.177 -5.585 3.827) 8.523 14.405 ( -0.200 -6.957 -2.417) 7.368 18.561 ( 0.628 2.674 9.962) 10.334 18.829 ( 0.532 -1.185 -3.560) 3.790 19.020 ( -0.148 6.285 5.754) 8.522 19.556 ( -3.139 -3.920 -15.726) 16.508 19.773 ( 2.468 8.773 6.411) 11.142 20.063 ( 2.263 7.532 -6.703) 10.333 21.016 ( -10.017 -3.798 3.899) 11.401 21.190 ( -5.540 -5.836 -4.699) 9.318 23.408 ( 2.275 0.819 0.575) 2.485 23.426 ( 2.975 0.546 -0.212) 3.032 24.217 ( -3.237 -0.675 7.124) 7.854 24.425 ( -6.396 -4.235 -1.895) 7.901 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 4.905 -6.741 11.844) 14.484 1.069 ( 1.899 1.960 3.999) 4.841 1.183 ( 2.333 -0.400 0.260) 2.381 1.239 ( 1.696 5.011 0.196) 5.294 1.275 ( 1.049 3.327 -3.102) 4.668 1.386 ( 3.922 0.649 -3.855) 5.538 1.418 ( 2.512 -4.201 -1.227) 5.046 1.550 ( 3.739 -1.049 -3.617) 5.307 1.587 ( -1.270 0.454 -1.144) 1.768 1.677 ( 1.860 1.549 1.184) 2.694 1.739 ( 3.082 1.035 4.215) 5.323 1.965 ( 2.717 -3.529 4.720) 6.490 2.315 ( -12.262 11.513 4.147) 17.324 2.408 ( -10.119 13.066 -0.127) 16.527 2.556 ( -7.711 -4.532 -1.748) 9.113 2.691 ( -10.115 -8.318 -6.508) 14.624 2.882 ( -1.266 -7.769 8.144) 11.327 3.086 ( -3.026 -11.392 0.461) 11.796 3.502 ( 2.702 6.695 1.676) 7.412 3.582 ( 14.715 2.638 6.156) 16.168 3.615 ( 7.558 3.607 -1.360) 8.485 3.668 ( -3.778 9.695 2.818) 10.780 3.859 ( 9.303 -0.580 -7.339) 11.864 4.018 ( 2.955 5.469 -7.927) 10.074 4.428 ( 6.409 -6.701 3.232) 9.820 4.518 ( 3.098 -7.078 -0.097) 7.727 4.918 ( -8.351 1.805 1.169) 8.623 5.032 ( -8.564 -0.911 -3.972) 9.485 7.308 ( 5.863 0.892 9.634) 11.313 7.682 ( -0.219 1.085 -7.124) 7.209 7.749 ( -5.927 -8.048 10.629) 14.590 8.128 ( -11.556 -5.905 -5.759) 14.198 8.343 ( 5.861 6.558 5.122) 10.178 8.561 ( 3.497 8.399 -4.280) 10.054 8.816 ( -1.236 3.012 1.183) 3.464 8.887 ( -2.422 1.872 -2.063) 3.692 9.120 ( 3.929 -1.604 1.860) 4.633 9.232 ( 6.255 -0.229 -2.462) 6.726 9.266 ( 0.554 -1.737 0.129) 1.828 9.346 ( -3.086 -5.349 -3.105) 6.912 11.715 ( 5.299 5.281 3.684) 8.339 11.957 ( 1.516 3.795 -6.637) 7.794 12.839 ( -1.719 -10.622 2.509) 11.049 12.918 ( -1.367 -9.485 -0.549) 9.599 13.417 ( -0.181 13.190 -0.196) 13.192 13.537 ( -1.843 8.427 -4.883) 9.912 14.192 ( -2.151 -4.399 3.863) 6.237 14.373 ( -2.616 -5.916 -4.199) 7.712 18.584 ( 1.658 3.266 9.376) 10.066 18.825 ( -1.320 3.987 -1.042) 4.327 19.035 ( 2.016 0.963 2.625) 3.447 19.465 ( -5.629 -3.021 -13.714) 15.129 19.851 ( 5.346 6.974 5.917) 10.594 20.136 ( 4.999 4.503 -7.127) 9.801 20.769 ( -13.466 -2.098 5.933) 14.864 21.018 ( -10.879 -5.701 -6.885) 14.081 23.480 ( 4.858 0.768 1.161) 5.053 23.512 ( 5.363 0.421 -0.113) 5.381 24.122 ( -5.939 -0.970 5.737) 8.314 24.257 ( -9.604 -3.133 0.608) 10.121 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 6.133 -2.859 7.022) 9.752 1.089 ( -0.230 0.491 1.896) 1.972 1.249 ( 4.702 4.891 1.286) 6.905 1.324 ( 6.172 2.507 0.152) 6.663 1.336 ( 4.472 2.233 -1.220) 5.146 1.445 ( 2.228 1.256 -4.997) 5.614 1.493 ( 3.937 -2.409 1.495) 4.852 1.560 ( -1.082 -0.345 -1.030) 1.533 1.600 ( -0.203 -0.433 -3.272) 3.306 1.643 ( -1.343 1.002 -4.826) 5.108 1.845 ( 4.566 0.035 10.934) 11.849 1.972 ( -3.402 -0.079 7.491) 8.227 2.068 ( -9.690 14.637 4.563) 18.137 2.157 ( -13.030 17.897 -0.998) 22.160 2.457 ( -2.604 -4.566 -7.343) 9.030 2.512 ( -6.525 -6.989 -9.209) 13.276 2.881 ( 1.852 -10.014 7.728) 12.784 3.030 ( -3.237 -12.229 1.676) 12.760 3.518 ( 0.144 9.547 4.633) 10.613 3.587 ( -3.000 12.531 6.090) 14.252 3.782 ( 7.315 1.527 -5.899) 9.521 3.905 ( 15.116 -0.415 3.793) 15.590 3.944 ( 0.316 0.094 -7.153) 7.161 4.155 ( 7.739 -0.609 -6.004) 9.813 4.548 ( 4.977 -5.962 2.403) 8.130 4.560 ( 1.475 -7.861 2.308) 8.324 4.743 ( -7.969 2.081 1.516) 8.375 4.840 ( -9.992 0.116 -3.402) 10.555 7.445 ( 7.273 -1.460 7.074) 10.250 7.654 ( -2.435 -3.927 1.054) 4.739 7.689 ( -0.212 -5.272 1.873) 5.599 7.898 ( -10.246 -5.486 -3.632) 12.176 8.477 ( 7.219 6.614 3.987) 10.571 8.629 ( 2.933 8.217 -2.578) 9.098 8.755 ( -3.949 6.806 0.477) 7.883 8.800 ( -5.983 4.592 -1.476) 7.685 9.198 ( 3.079 -5.812 1.888) 6.843 9.256 ( -0.644 -4.387 0.039) 4.435 9.322 ( 1.520 -0.176 -2.040) 2.550 9.333 ( 1.996 -0.933 -3.003) 3.724 11.827 ( 5.472 5.566 3.215) 8.442 11.968 ( -0.723 4.972 -2.458) 5.593 12.817 ( -0.237 -12.728 0.239) 12.732 12.878 ( -2.426 -11.821 -2.018) 12.235 13.422 ( 0.711 13.130 -0.829) 13.175 13.491 ( -2.449 10.949 -3.406) 11.725 14.189 ( 1.612 -4.020 1.083) 4.465 14.310 ( -3.395 -4.948 -3.935) 7.176 18.630 ( 2.918 4.418 7.978) 9.575 18.774 ( -3.385 6.406 2.878) 7.796 19.103 ( 4.539 -1.934 -2.292) 5.440 19.339 ( -6.486 -2.377 -10.405) 12.490 19.991 ( 8.417 4.685 5.464) 11.075 20.256 ( 5.482 1.277 -6.132) 8.324 20.509 ( -10.430 -0.638 4.478) 11.368 20.773 ( -12.723 -4.700 -7.956) 15.724 23.600 ( 6.734 0.677 1.751) 6.991 23.637 ( 6.589 0.324 0.350) 6.606 23.986 ( -7.005 -1.251 4.121) 8.223 24.057 ( -9.646 -2.247 1.834) 10.073 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -2.920 0.547 3.459) 4.560 1.057 ( 2.920 0.547 3.459) 4.560 1.351 ( -3.428 2.771 0.310) 4.419 1.351 ( 3.428 2.771 0.310) 4.419 1.457 ( -4.046 -5.296 -2.021) 6.964 1.457 ( 4.046 -5.296 -2.021) 6.964 1.534 ( -3.038 2.371 -2.288) 4.482 1.534 ( 3.038 2.371 -2.288) 4.482 1.614 ( -4.070 0.866 -0.273) 4.170 1.614 ( 4.070 0.866 -0.273) 4.170 1.898 ( -1.084 7.875 5.437) 9.631 1.898 ( 1.084 7.875 5.437) 9.631 1.978 ( -2.015 13.036 5.312) 14.220 1.978 ( 2.015 13.036 5.312) 14.220 2.440 ( -0.955 -5.703 -10.105) 11.642 2.440 ( 0.955 -5.703 -10.105) 11.642 2.950 ( -4.292 -11.477 4.569) 13.077 2.950 ( 4.292 -11.477 4.569) 13.077 3.537 ( -1.855 11.729 5.940) 13.278 3.537 ( 1.855 11.729 5.940) 13.278 3.898 ( -4.007 0.719 -7.531) 8.561 3.898 ( 4.007 0.719 -7.531) 8.561 4.167 ( -8.054 -3.719 0.887) 8.916 4.167 ( 8.054 -3.719 0.887) 8.916 4.617 ( -5.143 -2.684 1.037) 5.893 4.617 ( 5.143 -2.684 1.037) 5.893 4.657 ( -6.596 -1.227 -0.419) 6.722 4.657 ( 6.596 -1.227 -0.419) 6.722 7.581 ( -5.402 -2.797 3.434) 6.986 7.581 ( 5.402 -2.797 3.434) 6.986 7.735 ( -5.315 -5.981 -0.162) 8.003 7.735 ( 5.315 -5.981 -0.162) 8.003 8.629 ( -6.924 4.279 1.184) 8.226 8.629 ( 6.924 4.279 1.184) 8.226 8.699 ( -2.810 9.566 -0.875) 10.009 8.699 ( 2.810 9.566 -0.875) 10.009 9.240 ( -1.196 -5.140 0.265) 5.284 9.240 ( 1.196 -5.140 0.265) 5.284 9.348 ( -0.650 -0.458 -2.048) 2.197 9.348 ( 0.650 -0.458 -2.048) 2.197 11.923 ( -3.660 5.679 1.224) 6.866 11.923 ( 3.660 5.679 1.224) 6.866 12.833 ( -1.707 -13.336 -1.710) 13.553 12.833 ( 1.707 -13.336 -1.710) 13.553 13.447 ( -1.749 12.609 -2.014) 12.888 13.447 ( 1.749 12.609 -2.014) 12.888 14.241 ( -3.204 -4.291 -1.939) 5.695 14.241 ( 3.204 -4.291 -1.939) 5.695 18.699 ( -3.753 5.781 5.784) 8.997 18.699 ( 3.753 5.781 5.784) 8.997 19.211 ( -5.939 -2.253 -6.513) 9.098 19.211 ( 5.939 -2.253 -6.513) 9.098 20.185 ( -10.010 2.349 4.722) 11.314 20.185 ( 10.010 2.349 4.722) 11.314 20.530 ( -10.154 -2.673 -7.287) 12.780 20.530 ( 10.154 -2.673 -7.287) 12.780 23.717 ( -2.072 0.842 1.590) 2.744 23.717 ( 2.072 0.842 1.590) 2.744 23.906 ( -2.703 -2.022 2.464) 4.180 23.906 ( 2.703 -2.022 2.464) 4.180 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 0.000 -6.889 10.731) 12.752 0.885 ( 0.000 -6.295 4.065) 7.493 0.987 ( 0.000 -5.965 3.085) 6.715 1.098 ( 0.000 -5.329 6.466) 8.379 1.330 ( 0.000 3.509 -3.905) 5.250 1.333 ( 0.000 1.070 -4.888) 5.004 1.377 ( 0.000 0.824 -7.796) 7.840 1.416 ( 0.000 -2.494 -5.248) 5.810 1.604 ( 0.000 6.136 6.202) 8.724 1.666 ( 0.000 3.086 1.082) 3.270 1.759 ( 0.000 -0.776 -2.777) 2.884 1.814 ( 0.000 -3.317 -1.242) 3.542 2.543 ( 0.000 3.278 5.023) 5.998 2.673 ( 0.000 -6.889 3.279) 7.630 2.690 ( 0.000 -6.105 -0.367) 6.116 2.827 ( 0.000 -9.306 -6.089) 11.121 2.938 ( 0.000 11.404 3.493) 11.927 3.151 ( 0.000 1.740 -2.512) 3.056 3.386 ( 0.000 2.103 0.146) 2.108 3.389 ( 0.000 0.402 2.034) 2.073 3.485 ( 0.000 2.409 1.015) 2.614 3.599 ( 0.000 -0.453 -2.898) 2.933 3.918 ( 0.000 5.265 0.601) 5.299 4.035 ( 0.000 0.615 -3.317) 3.373 4.228 ( 0.000 0.896 4.702) 4.787 4.344 ( 0.000 -3.602 -0.158) 3.605 5.123 ( 0.000 0.808 -1.108) 1.372 5.180 ( 0.000 -2.329 -3.494) 4.199 7.348 ( 0.000 9.826 13.768) 16.914 7.767 ( 0.000 -8.112 13.642) 15.872 7.919 ( 0.000 9.865 -8.889) 13.279 8.239 ( 0.000 -4.405 -6.419) 7.785 8.296 ( 0.000 4.969 5.673) 7.541 8.580 ( 0.000 -5.667 1.427) 5.844 8.719 ( 0.000 -1.928 -3.977) 4.420 8.742 ( 0.000 -4.163 -11.744) 12.460 9.101 ( 0.000 5.071 1.645) 5.331 9.191 ( 0.000 3.945 -1.617) 4.264 9.226 ( 0.000 -0.673 1.220) 1.393 9.287 ( 0.000 -6.703 -2.714) 7.232 11.723 ( 0.000 7.373 2.218) 7.700 11.936 ( 0.000 -0.688 -7.020) 7.054 12.748 ( 0.000 -4.711 2.945) 5.555 12.807 ( 0.000 -5.322 0.503) 5.346 13.690 ( 0.000 11.921 -1.216) 11.983 13.706 ( 0.000 8.014 -2.028) 8.267 14.179 ( 0.000 -10.016 2.485) 10.320 14.217 ( 0.000 -8.556 0.217) 8.559 18.609 ( 0.000 2.762 8.815) 9.237 18.746 ( 0.000 -3.969 0.806) 4.050 19.203 ( 0.000 8.626 -4.059) 9.534 19.486 ( 0.000 -5.663 -13.701) 14.825 20.006 ( 0.000 14.605 5.219) 15.510 20.222 ( 0.000 7.407 -3.686) 8.274 21.008 ( 0.000 -6.099 -0.497) 6.119 21.096 ( 0.000 -8.169 -3.446) 8.866 23.406 ( 0.000 0.853 0.274) 0.896 23.407 ( 0.000 0.634 0.142) 0.649 24.248 ( 0.000 0.641 6.198) 6.231 24.382 ( 0.000 -5.672 0.478) 5.692 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.907 -3.265 12.151) 12.615 0.945 ( 4.494 -9.078 -0.414) 10.138 1.064 ( 6.249 -1.979 4.048) 7.705 1.152 ( 5.103 -4.852 6.016) 9.261 1.307 ( -1.044 2.873 -3.576) 4.704 1.337 ( 0.156 2.371 -4.749) 5.310 1.389 ( 0.755 -0.297 -6.600) 6.650 1.442 ( 2.567 -2.327 -5.705) 6.675 1.639 ( 2.145 4.538 4.101) 6.482 1.666 ( 0.942 3.749 2.880) 4.820 1.754 ( -0.422 -0.329 -2.828) 2.878 1.835 ( 1.916 -3.826 -0.015) 4.279 2.521 ( -2.117 2.487 3.592) 4.855 2.618 ( -4.149 -5.379 0.883) 6.850 2.715 ( 0.596 -7.325 1.297) 7.463 2.763 ( -6.255 -5.180 -3.736) 8.940 2.893 ( -3.436 14.177 1.527) 14.667 3.096 ( -6.125 3.260 -3.550) 7.794 3.414 ( 5.773 3.407 4.438) 8.040 3.454 ( 5.839 0.104 1.714) 6.086 3.550 ( 4.271 -0.370 -0.704) 4.345 3.643 ( 3.982 -4.073 -3.386) 6.626 3.918 ( -0.250 5.850 1.209) 5.979 4.045 ( 0.737 0.435 -2.420) 2.567 4.246 ( 2.292 0.011 4.281) 4.855 4.362 ( 1.511 -3.616 -0.263) 3.928 5.076 ( -4.477 1.001 -1.068) 4.710 5.134 ( -4.445 -2.003 -3.412) 5.950 7.334 ( -0.752 7.390 12.578) 14.608 7.695 ( -6.008 -9.060 13.311) 17.186 7.847 ( -5.686 8.447 -9.241) 13.751 8.187 ( -6.093 -6.014 -7.640) 11.474 8.365 ( 4.894 5.607 4.686) 8.795 8.626 ( 4.511 -2.183 0.318) 5.021 8.678 ( 4.398 1.052 -3.150) 5.511 8.905 ( 6.620 -3.520 -6.567) 9.967 9.115 ( 0.932 2.364 0.831) 2.674 9.169 ( -1.248 3.825 -0.550) 4.061 9.224 ( -0.912 -2.739 0.156) 2.891 9.272 ( -0.588 -4.101 -2.749) 4.972 11.758 ( 3.317 7.411 2.324) 8.445 11.962 ( 2.458 -0.146 -6.531) 6.979 12.720 ( -2.670 -4.994 3.149) 6.480 12.793 ( -1.586 -6.218 -0.075) 6.417 13.673 ( -0.885 10.744 -0.748) 10.807 13.725 ( 1.054 9.597 -2.739) 10.036 14.126 ( -3.460 -8.035 3.362) 9.372 14.232 ( 0.092 -9.673 -1.476) 9.785 18.622 ( 1.330 3.267 8.436) 9.144 18.772 ( 2.511 -3.774 0.212) 4.538 19.182 ( -2.108 8.388 -3.339) 9.271 19.460 ( -2.613 -5.491 -13.189) 14.523 20.013 ( 0.751 13.715 4.944) 14.598 20.222 ( 0.160 6.601 -3.848) 7.643 20.920 ( -7.988 -4.801 0.970) 9.370 21.035 ( -6.001 -8.708 -4.154) 11.362 23.427 ( 2.332 0.963 0.533) 2.578 23.438 ( 2.842 0.515 0.092) 2.890 24.210 ( -3.661 0.324 5.849) 6.907 24.325 ( -5.303 -5.075 1.120) 7.425 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 7.679 0.234 10.168) 12.744 1.039 ( 4.281 -5.881 -2.120) 7.576 1.192 ( 6.075 1.101 1.635) 6.387 1.268 ( 4.458 -5.451 5.195) 8.751 1.319 ( 2.795 3.283 -1.931) 4.724 1.349 ( 1.665 3.298 -2.905) 4.700 1.413 ( 1.767 -0.892 -5.692) 6.026 1.507 ( 3.543 -3.351 -5.117) 7.068 1.642 ( -0.284 4.656 -0.022) 4.665 1.715 ( 0.243 2.095 -0.550) 2.180 1.765 ( 3.189 1.137 3.615) 4.953 1.878 ( 1.948 -4.978 2.556) 5.925 2.459 ( -4.010 0.899 -0.365) 4.126 2.512 ( -6.170 -3.476 -1.864) 7.323 2.594 ( -9.262 3.387 0.865) 9.900 2.677 ( -5.568 -6.966 -0.948) 8.968 2.821 ( -3.268 17.832 0.722) 18.144 2.970 ( -4.126 5.997 -1.712) 7.478 3.576 ( 4.736 -1.473 1.830) 5.287 3.609 ( 11.618 -0.349 3.619) 12.173 3.637 ( 4.778 -2.769 -0.890) 5.594 3.738 ( 4.717 -6.022 -0.957) 7.709 3.909 ( 0.022 6.847 1.530) 7.016 4.059 ( 0.744 -1.380 -2.048) 2.579 4.326 ( 5.149 -1.739 2.944) 6.181 4.401 ( 2.495 -3.017 0.517) 3.949 4.951 ( -7.591 1.446 -0.763) 7.765 5.008 ( -7.656 -1.339 -3.112) 8.372 7.344 ( 2.131 2.886 9.824) 10.459 7.577 ( -4.653 -8.294 10.524) 14.184 7.733 ( -5.111 4.219 -7.612) 10.093 7.995 ( -11.102 -7.195 -7.541) 15.228 8.495 ( 7.243 8.350 5.184) 12.209 8.741 ( 3.949 8.735 -5.360) 10.983 8.808 ( 8.090 -3.530 3.977) 9.681 8.975 ( 0.646 4.125 -2.880) 5.072 9.078 ( -3.279 -1.079 0.698) 3.521 9.163 ( -2.134 -7.423 -1.852) 7.942 9.228 ( 3.560 -0.008 -0.583) 3.608 9.283 ( 1.130 -1.275 -2.559) 3.074 11.851 ( 5.696 7.699 2.512) 9.901 12.028 ( 3.687 1.939 -5.073) 6.564 12.647 ( -4.211 -6.757 3.046) 8.525 12.737 ( -3.905 -8.319 -1.023) 9.247 13.663 ( -0.013 11.039 -0.573) 11.054 13.738 ( 0.095 10.862 -3.357) 11.369 14.071 ( -1.438 -7.054 2.839) 7.739 14.214 ( -1.670 -9.440 -3.213) 10.110 18.666 ( 3.045 4.636 7.313) 9.179 18.842 ( 4.112 -2.505 -1.495) 5.042 19.122 ( -3.589 7.014 -1.284) 7.983 19.382 ( -4.902 -5.022 -11.474) 13.450 20.044 ( 2.543 11.248 4.149) 12.256 20.236 ( 1.391 4.213 -4.173) 6.091 20.716 ( -11.314 -2.563 2.654) 11.900 20.864 ( -10.301 -8.838 -4.796) 14.395 23.500 ( 4.826 1.081 1.012) 5.048 23.520 ( 5.158 0.286 0.241) 5.171 24.106 ( -6.393 -0.329 4.872) 8.045 24.182 ( -8.369 -3.824 2.084) 9.434 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 9.012 1.524 6.219) 11.055 1.104 ( 1.750 0.172 -0.940) 1.994 1.301 ( 2.561 -4.174 -0.377) 4.911 1.312 ( 2.408 -3.278 0.768) 4.139 1.380 ( 2.126 2.820 -0.171) 3.536 1.404 ( 2.923 3.398 -2.342) 5.057 1.487 ( 5.248 -1.174 -0.131) 5.380 1.566 ( 1.669 -2.140 -2.225) 3.510 1.648 ( 0.856 5.854 -1.443) 6.090 1.694 ( -1.233 4.184 -2.913) 5.246 1.839 ( 3.106 -1.156 5.710) 6.602 1.905 ( 0.447 -4.872 4.918) 6.938 2.367 ( -4.518 0.147 -3.921) 5.984 2.387 ( -5.321 -2.117 -4.716) 7.418 2.422 ( -6.664 7.701 0.957) 10.228 2.504 ( -9.267 2.553 -1.634) 9.750 2.804 ( 1.548 13.569 2.152) 13.825 2.917 ( -2.308 6.961 -1.451) 7.475 3.632 ( 1.957 -3.520 2.825) 4.920 3.700 ( 0.290 -8.184 0.870) 8.236 3.820 ( 3.628 3.691 0.416) 5.192 3.830 ( 7.720 -3.416 0.756) 8.476 3.944 ( 3.692 0.704 0.906) 3.866 4.079 ( 0.776 -4.852 -2.025) 5.314 4.433 ( 5.604 -2.232 2.996) 6.735 4.489 ( 6.606 -0.701 0.297) 6.650 4.779 ( -9.183 1.672 0.199) 9.337 4.834 ( -9.203 -0.714 -2.462) 9.553 7.420 ( 5.151 -0.548 6.240) 8.110 7.529 ( 0.047 -6.171 5.896) 8.534 7.639 ( -4.259 -0.440 -3.610) 5.600 7.777 ( -9.925 -6.075 -4.472) 12.466 8.634 ( 6.277 8.664 3.891) 11.385 8.779 ( 0.180 6.154 -2.221) 6.545 8.920 ( 0.594 9.219 -0.556) 9.255 8.948 ( -2.524 7.792 -1.670) 8.359 9.053 ( 2.718 -7.881 2.579) 8.727 9.141 ( -0.026 -6.190 -0.612) 6.220 9.287 ( 1.683 -3.241 -1.580) 3.979 9.303 ( 0.638 -2.402 -2.314) 3.396 11.976 ( 6.219 8.668 2.378) 10.930 12.092 ( 1.996 6.392 -2.437) 7.126 12.568 ( -2.894 -10.861 1.675) 11.364 12.642 ( -5.005 -11.101 -1.511) 12.270 13.674 ( 0.990 11.716 -1.163) 11.815 13.727 ( -1.100 12.013 -3.026) 12.437 14.073 ( 1.434 -7.306 0.454) 7.459 14.170 ( -2.504 -8.667 -3.388) 9.636 18.745 ( 4.723 6.549 5.333) 9.677 18.910 ( 0.786 4.412 -2.585) 5.173 19.065 ( -0.230 -0.164 0.189) 0.340 19.267 ( -6.252 -4.714 -8.504) 11.560 20.123 ( 5.272 7.874 3.240) 10.015 20.284 ( 3.128 1.113 -3.787) 5.036 20.494 ( -9.631 -0.599 2.233) 9.905 20.643 ( -10.812 -7.583 -4.970) 14.111 23.619 ( 6.744 1.095 1.593) 7.015 23.643 ( 6.767 0.189 0.710) 6.807 23.960 ( -7.609 -0.962 3.605) 8.475 24.003 ( -8.958 -2.773 2.293) 9.654 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -4.211 2.706 2.762) 5.717 1.084 ( 4.211 2.706 2.762) 5.717 1.324 ( -1.192 -7.325 -1.997) 7.686 1.324 ( 1.192 -7.325 -1.997) 7.686 1.431 ( -1.363 4.528 0.013) 4.729 1.431 ( 1.363 4.528 0.013) 4.729 1.566 ( -1.808 -0.798 0.090) 1.978 1.566 ( 1.808 -0.798 0.090) 1.978 1.670 ( -1.312 5.429 -1.841) 5.881 1.670 ( 1.312 5.429 -1.841) 5.881 1.889 ( -1.832 -2.793 5.592) 6.513 1.889 ( 1.832 -2.793 5.592) 6.513 2.318 ( -0.762 1.067 -4.468) 4.656 2.318 ( 0.762 1.067 -4.468) 4.656 2.374 ( -2.446 5.439 -1.612) 6.178 2.374 ( 2.446 5.439 -1.612) 6.178 2.859 ( -3.267 9.735 0.276) 10.272 2.859 ( 3.267 9.735 0.276) 10.272 3.673 ( -2.098 -4.960 3.238) 6.284 3.673 ( 2.098 -4.960 3.238) 6.284 3.875 ( -1.379 0.098 -1.901) 2.351 3.875 ( 1.379 0.098 -1.901) 2.351 4.048 ( -4.304 -5.695 0.747) 7.177 4.048 ( 4.304 -5.695 0.747) 7.177 4.584 ( -8.695 0.792 1.910) 8.937 4.584 ( 8.695 0.792 1.910) 8.937 4.651 ( -8.168 -0.461 -1.252) 8.276 4.651 ( 8.168 -0.461 -1.252) 8.276 7.526 ( -3.877 -1.839 2.517) 4.975 7.526 ( 3.877 -1.839 2.517) 4.975 7.612 ( -5.069 -5.567 -0.540) 7.548 7.612 ( 5.069 -5.567 -0.540) 7.548 8.742 ( -3.976 6.974 0.996) 8.089 8.742 ( 3.976 6.974 0.996) 8.089 8.909 ( -0.560 8.606 -1.434) 8.743 8.909 ( 0.560 8.606 -1.434) 8.743 9.124 ( -2.387 -4.686 1.061) 5.365 9.124 ( 2.387 -4.686 1.061) 5.365 9.305 ( -0.387 -4.061 -1.880) 4.492 9.305 ( 0.387 -4.061 -1.880) 4.492 12.081 ( -3.349 9.672 0.920) 10.277 12.081 ( 3.349 9.672 0.920) 10.277 12.560 ( -2.338 -13.412 -0.738) 13.634 12.560 ( 2.338 -13.412 -0.738) 13.634 13.700 ( -1.444 12.200 -2.162) 12.474 13.700 ( 1.444 12.200 -2.162) 12.474 14.117 ( -2.597 -7.897 -1.986) 8.547 14.117 ( 2.597 -7.897 -1.986) 8.547 18.849 ( -5.070 8.391 2.161) 10.039 18.849 ( 5.070 8.391 2.161) 10.039 19.140 ( -5.946 -4.919 -4.597) 8.983 19.140 ( 5.946 -4.919 -4.597) 8.983 20.253 ( -6.905 4.337 2.472) 8.521 20.253 ( 6.905 4.337 2.472) 8.521 20.455 ( -6.715 -4.662 -4.480) 9.322 20.455 ( 6.715 -4.662 -4.480) 9.322 23.744 ( -2.077 1.866 1.746) 3.293 23.744 ( 2.077 1.866 1.746) 3.293 23.852 ( -2.400 -3.036 2.285) 4.494 23.852 ( 2.400 -3.036 2.285) 4.494 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 0.000 -7.325 1.932) 7.576 0.688 ( 0.000 7.325 1.932) 7.576 1.003 ( 0.000 -3.649 8.373) 9.134 1.003 ( 0.000 3.649 8.373) 9.134 1.361 ( 0.000 -1.634 -5.464) 5.703 1.361 ( 0.000 1.634 -5.464) 5.703 1.380 ( 0.000 -0.426 -6.353) 6.367 1.380 ( 0.000 0.426 -6.353) 6.367 1.722 ( 0.000 -3.223 0.138) 3.226 1.722 ( 0.000 3.223 0.138) 3.226 1.730 ( 0.000 -4.654 1.133) 4.789 1.730 ( 0.000 4.654 1.133) 4.789 2.601 ( 0.000 -2.000 0.242) 2.015 2.601 ( 0.000 2.000 0.242) 2.015 2.663 ( 0.000 -6.230 -0.039) 6.230 2.663 ( 0.000 6.230 -0.039) 6.230 3.126 ( 0.000 -5.347 -0.871) 5.417 3.126 ( 0.000 5.347 -0.871) 5.417 3.401 ( 0.000 -0.667 0.376) 0.766 3.401 ( 0.000 0.667 0.376) 0.766 3.536 ( 0.000 -3.400 0.297) 3.413 3.536 ( 0.000 3.400 0.297) 3.413 4.007 ( 0.000 -3.255 -0.823) 3.358 4.007 ( 0.000 3.255 -0.823) 3.358 4.275 ( 0.000 -3.177 3.073) 4.420 4.275 ( 0.000 3.177 3.073) 4.420 5.144 ( 0.000 -1.316 -2.384) 2.723 5.144 ( 0.000 1.316 -2.384) 2.723 7.564 ( 0.000 -11.015 15.244) 18.807 7.564 ( 0.000 11.015 15.244) 18.807 8.119 ( 0.000 -8.102 -8.417) 11.683 8.119 ( 0.000 8.102 -8.417) 11.683 8.429 ( 0.000 -8.283 1.677) 8.451 8.429 ( 0.000 8.283 1.677) 8.451 8.696 ( 0.000 -0.115 -7.777) 7.778 8.696 ( 0.000 0.115 -7.777) 7.778 9.174 ( 0.000 -2.956 1.102) 3.155 9.174 ( 0.000 2.956 1.102) 3.155 9.239 ( 0.000 -0.834 -1.276) 1.524 9.239 ( 0.000 0.834 -1.276) 1.524 11.864 ( 0.000 -5.991 -1.295) 6.129 11.864 ( 0.000 5.991 -1.295) 6.129 12.726 ( 0.000 -2.097 0.654) 2.196 12.726 ( 0.000 2.097 0.654) 2.196 13.837 ( 0.000 -1.477 -0.964) 1.764 13.837 ( 0.000 1.477 -0.964) 1.764 14.065 ( 0.000 -2.902 1.147) 3.121 14.065 ( 0.000 2.902 1.147) 3.121 18.670 ( 0.000 -3.427 5.497) 6.478 18.670 ( 0.000 3.427 5.497) 6.478 19.360 ( 0.000 -6.964 -9.993) 12.180 19.360 ( 0.000 6.964 -9.993) 12.180 20.246 ( 0.000 -6.561 1.793) 6.801 20.246 ( 0.000 6.561 1.793) 6.801 20.963 ( 0.000 -3.135 -3.525) 4.717 20.963 ( 0.000 3.135 -3.525) 4.717 23.415 ( 0.000 -0.023 0.291) 0.292 23.415 ( 0.000 0.023 0.291) 0.292 24.287 ( 0.000 -3.414 3.811) 5.117 24.287 ( 0.000 3.414 3.811) 5.117 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 4.474 -8.863 2.770) 10.307 0.732 ( 4.474 8.863 2.770) 10.307 1.079 ( 6.502 -2.393 6.204) 9.301 1.079 ( 6.502 2.393 6.204) 9.301 1.359 ( -0.021 -2.437 -4.832) 5.412 1.359 ( -0.021 2.437 -4.832) 5.412 1.389 ( 1.031 -2.578 -6.343) 6.924 1.389 ( 1.031 2.578 -6.343) 6.924 1.722 ( 0.092 -2.128 0.273) 2.147 1.722 ( 0.092 2.128 0.273) 2.147 1.752 ( 1.762 -3.976 1.258) 4.527 1.752 ( 1.762 3.976 1.258) 4.527 2.574 ( -2.593 -1.216 -0.050) 2.864 2.574 ( -2.593 1.216 -0.050) 2.864 2.638 ( -2.652 -3.597 -0.382) 4.485 2.638 ( -2.652 3.597 -0.382) 4.485 3.138 ( 1.059 -5.160 -1.136) 5.388 3.138 ( 1.059 5.160 -1.136) 5.388 3.465 ( 5.403 -1.850 0.939) 5.788 3.465 ( 5.403 1.850 0.939) 5.788 3.517 ( -0.989 -4.537 0.485) 4.669 3.517 ( -0.989 4.537 0.485) 4.669 4.010 ( 0.249 -3.511 -0.406) 3.543 4.010 ( 0.249 3.511 -0.406) 3.543 4.296 ( 1.960 -3.417 3.048) 4.981 4.296 ( 1.960 3.417 3.048) 4.981 5.100 ( -4.229 -1.376 -2.453) 5.079 5.100 ( -4.229 1.376 -2.453) 5.079 7.505 ( -4.509 -9.319 13.596) 17.089 7.505 ( -4.509 9.319 13.596) 17.089 8.032 ( -7.949 -8.993 -9.656) 15.404 8.032 ( -7.949 8.993 -9.656) 15.404 8.497 ( 7.129 -7.214 4.431) 11.068 8.497 ( 7.129 7.214 4.431) 11.068 8.789 ( 6.993 -6.800 -7.316) 12.193 8.789 ( 6.993 6.800 -7.316) 12.193 9.155 ( -2.234 -2.375 0.603) 3.316 9.155 ( -2.234 2.375 0.603) 3.316 9.236 ( 0.149 -2.242 -1.122) 2.511 9.236 ( 0.149 2.242 -1.122) 2.511 11.898 ( 3.276 -5.823 -1.145) 6.779 11.898 ( 3.276 5.823 -1.145) 6.779 12.698 ( -2.805 -2.494 0.679) 3.814 12.698 ( -2.805 2.494 0.679) 3.814 13.838 ( 0.244 -3.525 -0.759) 3.614 13.838 ( 0.244 3.525 -0.759) 3.614 14.052 ( -1.241 -5.315 0.296) 5.466 14.052 ( -1.241 5.315 0.296) 5.466 18.693 ( 2.272 -3.839 4.978) 6.685 18.693 ( 2.272 3.839 4.978) 6.685 19.336 ( -2.361 -6.870 -9.444) 11.915 19.336 ( -2.361 6.870 -9.444) 11.915 20.240 ( -0.430 -6.342 1.435) 6.517 20.240 ( -0.430 6.342 1.435) 6.517 20.893 ( -6.608 -3.586 -2.916) 8.064 20.893 ( -6.608 3.586 -2.916) 8.064 23.441 ( 2.581 -0.310 0.390) 2.629 23.441 ( 2.581 0.310 0.390) 2.629 24.241 ( -4.357 -2.965 3.822) 6.510 24.241 ( -4.357 2.965 3.822) 6.510 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 8.018 -8.997 2.446) 12.297 0.864 ( 8.018 8.997 2.446) 12.297 1.214 ( 5.449 -1.213 3.088) 6.380 1.214 ( 5.449 1.213 3.088) 6.380 1.373 ( 1.742 -1.796 -2.088) 3.259 1.373 ( 1.742 1.796 -2.088) 3.259 1.427 ( 2.850 -3.930 -6.029) 7.740 1.427 ( 2.850 3.930 -6.029) 7.740 1.732 ( 1.119 -2.308 0.147) 2.569 1.732 ( 1.119 2.308 0.147) 2.569 1.787 ( 1.314 -2.540 1.494) 3.227 1.787 ( 1.314 2.540 1.494) 3.227 2.497 ( -4.929 -0.919 -1.046) 5.122 2.497 ( -4.929 0.919 -1.046) 5.122 2.552 ( -5.667 -1.067 -0.779) 5.819 2.552 ( -5.667 1.067 -0.779) 5.819 3.168 ( 1.989 -4.291 -1.106) 4.857 3.168 ( 1.989 4.291 -1.106) 4.857 3.451 ( -3.162 -3.099 0.414) 4.447 3.451 ( -3.162 3.099 0.414) 4.447 3.653 ( 10.002 -2.442 1.593) 10.419 3.653 ( 10.002 2.442 1.593) 10.419 4.013 ( -0.052 -3.583 0.410) 3.606 4.013 ( -0.052 3.583 0.410) 3.606 4.353 ( 3.794 -2.856 3.039) 5.638 4.353 ( 3.794 2.856 3.039) 5.638 4.980 ( -7.326 -1.452 -2.354) 7.831 4.980 ( -7.326 1.452 -2.354) 7.831 7.431 ( -1.947 -5.873 10.222) 11.949 7.431 ( -1.947 5.873 10.222) 11.949 7.849 ( -9.234 -6.910 -8.178) 14.139 7.849 ( -9.234 6.910 -8.178) 14.139 8.669 ( 8.341 -8.458 5.098) 12.927 8.669 ( 8.341 8.458 5.098) 12.927 8.926 ( 6.212 -8.163 -5.303) 11.547 8.926 ( 6.212 8.163 -5.303) 11.547 9.085 ( -4.172 -1.000 -0.505) 4.320 9.085 ( -4.172 1.000 -0.505) 4.320 9.248 ( 0.683 -1.993 -0.918) 2.298 9.248 ( 0.683 1.993 -0.918) 2.298 11.993 ( 5.962 -5.346 -0.757) 8.044 11.993 ( 5.962 5.346 -0.757) 8.044 12.611 ( -5.732 -3.166 0.706) 6.587 12.611 ( -5.732 3.166 0.706) 6.587 13.852 ( 1.134 -5.920 -0.677) 6.065 13.852 ( 1.134 5.920 -0.677) 6.065 14.019 ( -1.919 -7.856 -1.356) 8.199 14.019 ( -1.919 7.856 -1.356) 8.199 18.762 ( 4.510 -4.750 3.518) 7.435 18.762 ( 4.510 4.750 3.518) 7.435 19.265 ( -4.580 -6.638 -7.723) 11.166 19.265 ( -4.580 6.638 -7.723) 11.166 20.236 ( 0.290 -5.612 0.562) 5.648 20.236 ( 0.290 5.612 0.562) 5.648 20.717 ( -10.051 -4.067 -1.775) 10.987 20.717 ( -10.051 4.067 -1.775) 10.987 23.518 ( 4.947 -0.551 0.692) 5.025 23.518 ( 4.947 0.551 0.692) 5.025 24.121 ( -7.223 -1.991 3.588) 8.307 24.121 ( -7.223 1.991 3.588) 8.307 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 8.160 -6.453 0.810) 10.435 1.033 ( 8.160 6.453 0.810) 10.435 1.256 ( -1.399 -2.379 0.635) 2.832 1.256 ( -1.399 2.379 0.635) 2.832 1.442 ( 4.694 -2.507 -0.104) 5.323 1.442 ( 4.694 2.507 -0.104) 5.323 1.495 ( 3.075 -4.144 -2.651) 5.801 1.495 ( 3.075 4.144 -2.651) 5.801 1.768 ( 2.086 -2.354 0.480) 3.182 1.768 ( 2.086 2.354 0.480) 3.182 1.800 ( 0.076 -1.948 0.968) 2.177 1.800 ( 0.076 1.948 0.968) 2.177 2.388 ( -4.978 -1.998 -2.276) 5.827 2.388 ( -4.978 1.998 -2.276) 5.827 2.428 ( -5.863 -1.775 -1.268) 6.256 2.428 ( -5.863 1.775 -1.268) 6.256 3.222 ( 3.320 -5.607 -0.635) 6.547 3.222 ( 3.320 5.607 -0.635) 6.547 3.380 ( -3.788 -5.008 0.346) 6.289 3.380 ( -3.788 5.008 0.346) 6.289 3.842 ( 7.799 -1.703 1.345) 8.095 3.842 ( 7.799 1.703 1.345) 8.095 4.002 ( -1.174 -3.775 1.004) 4.079 4.002 ( -1.174 3.775 1.004) 4.079 4.458 ( 6.771 -2.666 2.438) 7.675 4.458 ( 6.771 2.666 2.438) 7.675 4.812 ( -9.027 -1.473 -1.427) 9.257 4.812 ( -9.027 1.473 -1.427) 9.257 7.439 ( 2.615 -2.616 5.801) 6.880 7.439 ( 2.615 2.616 5.801) 6.880 7.673 ( -7.981 -3.750 -4.413) 9.860 7.673 ( -7.981 3.750 -4.413) 9.860 8.804 ( 5.074 -6.561 2.790) 8.751 8.804 ( 5.074 6.561 2.790) 8.751 8.978 ( -3.762 -3.246 -0.591) 5.004 8.978 ( -3.762 3.246 -0.591) 5.004 9.071 ( 5.651 -3.584 -2.539) 7.157 9.071 ( 5.651 3.584 -2.539) 7.157 9.245 ( -1.389 -1.434 -0.832) 2.162 9.245 ( -1.389 1.434 -0.832) 2.162 12.134 ( 7.777 -4.694 -0.258) 9.088 12.134 ( 7.777 4.694 -0.258) 9.088 12.471 ( -7.885 -3.652 0.581) 8.709 12.471 ( -7.885 3.652 0.581) 8.709 13.885 ( 2.042 -7.636 -1.259) 8.004 13.885 ( 2.042 7.636 -1.259) 8.004 13.977 ( -2.207 -8.839 -2.313) 9.400 13.977 ( -2.207 8.839 -2.313) 9.400 18.874 ( 6.369 -5.613 1.277) 8.585 18.874 ( 6.369 5.613 1.277) 8.585 19.153 ( -6.375 -6.397 -4.911) 10.280 19.153 ( -6.375 6.397 -4.911) 10.280 20.263 ( 2.655 -4.410 -0.341) 5.159 20.263 ( 2.655 4.410 -0.341) 5.159 20.513 ( -9.440 -3.771 -1.105) 10.225 20.513 ( -9.440 3.771 -1.105) 10.225 23.639 ( 6.867 -0.673 1.227) 7.008 23.639 ( 6.867 0.673 1.227) 7.008 23.960 ( -8.337 -1.136 2.901) 8.901 23.960 ( -8.337 1.136 2.901) 8.901 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -4.706 -6.261 -0.004) 7.832 1.178 ( 1.256 -5.836 -0.004) 5.970 1.178 ( -1.256 5.836 -0.004) 5.970 1.178 ( 4.706 6.261 -0.004) 7.832 1.517 ( -1.415 -3.652 -0.071) 3.917 1.517 ( 1.262 -3.638 -0.071) 3.852 1.517 ( -1.262 3.638 -0.071) 3.852 1.517 ( 1.415 3.652 -0.071) 3.917 1.796 ( -0.397 -6.131 0.667) 6.179 1.796 ( 0.373 -6.130 0.667) 6.178 1.796 ( -0.373 6.130 0.667) 6.178 1.796 ( 0.397 6.131 0.667) 6.179 2.345 ( -0.970 -3.907 -2.317) 4.645 2.345 ( 0.620 -3.890 -2.317) 4.569 2.345 ( -0.620 3.890 -2.317) 4.569 2.345 ( 0.970 3.907 -2.317) 4.645 3.299 ( -1.314 -25.508 -0.046) 25.542 3.299 ( 0.713 -25.502 -0.046) 25.512 3.299 ( -0.713 25.502 -0.046) 25.512 3.299 ( 1.314 25.508 -0.046) 25.542 3.957 ( -2.954 -4.501 1.233) 5.524 3.957 ( 1.191 -4.294 1.233) 4.623 3.957 ( -1.191 4.294 1.233) 4.623 3.957 ( 2.954 4.501 1.233) 5.524 4.624 ( -9.127 -2.126 0.528) 9.386 4.624 ( -8.871 1.835 0.528) 9.074 4.624 ( 8.871 -1.835 0.528) 9.074 4.624 ( 9.127 2.126 0.528) 9.386 7.529 ( -5.609 -2.017 0.645) 5.995 7.529 ( -3.957 -0.346 0.645) 4.024 7.529 ( 3.957 0.346 0.645) 4.024 7.529 ( 5.609 2.017 0.645) 5.995 8.893 ( -2.745 -7.037 0.414) 7.565 8.893 ( 0.928 -6.917 0.414) 6.992 8.893 ( -0.928 6.917 0.414) 6.992 8.893 ( 2.745 7.037 0.414) 7.565 9.184 ( -2.472 -7.185 -1.000) 7.664 9.184 ( -0.025 -7.078 -1.000) 7.149 9.184 ( 0.025 7.078 -1.000) 7.149 9.184 ( 2.472 7.185 -1.000) 7.664 12.302 ( -5.057 -11.582 0.229) 12.640 12.302 ( -0.127 -11.303 0.229) 11.306 12.302 ( 0.127 11.303 0.229) 11.306 12.302 ( 5.057 11.582 0.229) 12.640 13.930 ( -1.994 -10.517 -2.096) 10.908 13.930 ( 1.822 -10.509 -2.096) 10.870 13.930 ( -1.822 10.509 -2.096) 10.870 13.930 ( 1.994 10.517 -2.096) 10.908 19.013 ( -6.505 -7.368 -1.646) 9.965 19.013 ( 3.635 -6.856 -1.646) 7.933 19.013 ( -3.635 6.856 -1.646) 7.933 19.013 ( 6.505 7.368 -1.646) 9.965 20.352 ( -5.339 -5.038 -0.850) 7.390 20.352 ( 0.623 -4.285 -0.850) 4.412 20.352 ( -0.623 4.285 -0.850) 4.412 20.352 ( 5.339 5.038 -0.850) 7.390 23.792 ( -7.046 -1.990 2.007) 7.591 23.792 ( -6.247 -1.142 2.007) 6.660 23.792 ( 6.247 1.142 2.007) 6.660 23.792 ( 7.046 1.990 2.007) 7.591 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 0.000 -10.247) 10.247 1.143 ( 0.000 0.000 10.247) 10.247 1.160 ( 0.000 0.000 -4.060) 4.060 1.160 ( 0.000 0.000 4.060) 4.060 1.264 ( 0.000 0.000 -3.817) 3.817 1.264 ( 0.000 0.000 3.817) 3.817 1.394 ( 0.000 0.000 -1.233) 1.233 1.394 ( 0.000 0.000 1.233) 1.233 1.606 ( 0.000 0.000 -3.582) 3.582 1.606 ( 0.000 0.000 3.582) 3.582 1.753 ( 0.000 0.000 -12.357) 12.357 1.753 ( 0.000 0.000 12.357) 12.357 2.656 ( 0.000 0.000 -2.135) 2.135 2.656 ( 0.000 0.000 2.135) 2.135 2.992 ( 0.000 0.000 -4.660) 4.660 2.992 ( 0.000 0.000 4.660) 4.660 3.145 ( 0.000 0.000 -0.013) 0.013 3.145 ( 0.000 0.000 0.013) 0.013 3.263 ( 0.000 0.000 -0.329) 0.329 3.263 ( 0.000 0.000 0.329) 0.329 3.379 ( 0.000 0.000 -2.874) 2.874 3.379 ( 0.000 0.000 2.874) 2.874 3.802 ( 0.000 0.000 -5.968) 5.968 3.802 ( 0.000 0.000 5.968) 5.968 4.347 ( 0.000 0.000 -4.273) 4.273 4.347 ( 0.000 0.000 4.273) 4.273 5.157 ( 0.000 0.000 -3.654) 3.654 5.157 ( 0.000 0.000 3.654) 3.654 7.382 ( 0.000 0.000 -11.904) 11.904 7.382 ( 0.000 0.000 11.904) 11.904 8.213 ( 0.000 0.000 -5.829) 5.829 8.213 ( 0.000 0.000 5.829) 5.829 8.483 ( 0.000 0.000 -16.515) 16.515 8.483 ( 0.000 0.000 16.515) 16.515 8.833 ( 0.000 0.000 -2.066) 2.066 8.833 ( 0.000 0.000 2.066) 2.066 8.889 ( 0.000 0.000 -0.814) 0.814 8.889 ( 0.000 0.000 0.814) 0.814 9.415 ( 0.000 0.000 -6.152) 6.152 9.415 ( 0.000 0.000 6.152) 6.152 11.655 ( 0.000 0.000 -7.879) 7.879 11.655 ( 0.000 0.000 7.879) 7.879 13.078 ( 0.000 0.000 -5.098) 5.098 13.078 ( 0.000 0.000 5.098) 5.098 13.318 ( 0.000 0.000 -8.687) 8.687 13.318 ( 0.000 0.000 8.687) 8.687 14.446 ( 0.000 0.000 -1.476) 1.476 14.446 ( 0.000 0.000 1.476) 1.476 18.714 ( 0.000 0.000 -7.698) 7.698 18.714 ( 0.000 0.000 7.698) 7.698 19.259 ( 0.000 0.000 -17.522) 17.522 19.259 ( 0.000 0.000 17.522) 17.522 19.794 ( 0.000 0.000 -6.838) 6.838 19.794 ( 0.000 0.000 6.838) 6.838 21.239 ( 0.000 0.000 -2.912) 2.912 21.239 ( 0.000 0.000 2.912) 2.912 23.383 ( 0.000 0.000 -0.295) 0.295 23.383 ( 0.000 0.000 0.295) 0.295 24.416 ( 0.000 0.000 -6.871) 6.871 24.416 ( 0.000 0.000 6.871) 6.871 ======================= Grid point 254 (82/100) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.572 0.000 -10.322) 10.338 1.145 ( 0.572 0.000 10.322) 10.338 1.156 ( -0.664 0.000 -4.178) 4.231 1.156 ( -0.664 0.000 4.178) 4.231 1.218 ( -3.036 0.000 -2.558) 3.971 1.218 ( -3.036 0.000 2.558) 3.971 1.436 ( 3.236 0.000 -2.158) 3.890 1.436 ( 3.236 0.000 2.158) 3.890 1.597 ( -0.685 0.000 -3.078) 3.153 1.597 ( -0.685 0.000 3.078) 3.153 1.822 ( 6.169 0.000 -10.948) 12.567 1.822 ( 6.169 0.000 10.948) 12.567 2.525 ( -11.230 0.000 -1.439) 11.322 2.525 ( -11.230 0.000 1.439) 11.322 2.894 ( -9.266 0.000 -5.670) 10.864 2.894 ( -9.266 0.000 5.670) 10.864 3.212 ( 4.797 0.000 -8.739) 9.970 3.212 ( 4.797 0.000 8.739) 9.970 3.298 ( 3.402 0.000 -2.133) 4.016 3.298 ( 3.402 0.000 2.133) 4.016 3.465 ( 8.000 0.000 -5.346) 9.622 3.465 ( 8.000 0.000 5.346) 9.622 3.758 ( -3.218 0.000 -7.740) 8.383 3.758 ( -3.218 0.000 7.740) 8.383 4.425 ( 6.584 0.000 -3.700) 7.552 4.425 ( 6.584 0.000 3.700) 7.552 5.102 ( -5.267 0.000 -3.553) 6.353 5.102 ( -5.267 0.000 3.553) 6.353 7.414 ( 3.070 0.000 -11.145) 11.561 7.414 ( 3.070 0.000 11.145) 11.561 8.261 ( 4.358 0.000 -5.601) 7.097 8.261 ( 4.358 0.000 5.601) 7.097 8.309 ( -12.601 0.000 -12.216) 17.550 8.309 ( -12.601 0.000 12.216) 17.550 8.870 ( -1.829 0.000 -1.811) 2.574 8.870 ( -1.829 0.000 1.811) 2.574 8.981 ( 10.179 0.000 -2.394) 10.457 8.981 ( 10.179 0.000 2.394) 10.457 9.393 ( -2.060 0.000 -5.278) 5.666 9.393 ( -2.060 0.000 5.278) 5.666 11.688 ( 3.140 0.000 -7.576) 8.202 11.688 ( 3.140 0.000 7.576) 8.202 13.065 ( -1.170 0.000 -4.883) 5.022 13.065 ( -1.170 0.000 4.883) 5.022 13.313 ( -0.567 0.000 -8.270) 8.289 13.313 ( -0.567 0.000 8.270) 8.289 14.409 ( -3.312 0.000 -3.528) 4.839 14.409 ( -3.312 0.000 3.528) 4.839 18.718 ( 0.398 0.000 -7.488) 7.499 18.718 ( 0.398 0.000 7.488) 7.499 19.241 ( -1.730 0.000 -16.341) 16.432 19.241 ( -1.730 0.000 16.341) 16.432 19.826 ( 3.198 0.000 -7.001) 7.697 19.826 ( 3.198 0.000 7.001) 7.697 21.153 ( -8.156 0.000 -4.455) 9.293 21.153 ( -8.156 0.000 4.455) 9.293 23.411 ( 2.791 0.000 -0.522) 2.839 23.411 ( 2.791 0.000 0.522) 2.839 24.370 ( -4.475 0.000 -5.990) 7.477 24.370 ( -4.475 0.000 5.990) 7.477 ======================= Grid point 256 (83/100) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -2.548 0.000 -4.466) 5.142 1.115 ( -2.548 0.000 4.466) 5.142 1.182 ( 3.318 0.000 -9.081) 9.668 1.182 ( 3.318 0.000 9.081) 9.668 1.207 ( 2.209 0.000 -1.200) 2.514 1.207 ( 2.209 0.000 1.200) 2.514 1.503 ( 3.125 0.000 -2.101) 3.766 1.503 ( 3.125 0.000 2.101) 3.766 1.581 ( -0.858 0.000 -2.389) 2.538 1.581 ( -0.858 0.000 2.389) 2.538 1.972 ( 7.827 0.000 -8.987) 11.917 1.972 ( 7.827 0.000 8.987) 11.917 2.248 ( -15.561 0.000 -1.910) 15.677 2.248 ( -15.561 0.000 1.910) 15.677 2.660 ( -12.776 0.000 -4.969) 13.708 2.660 ( -12.776 0.000 4.969) 13.708 3.284 ( 1.812 0.000 -14.385) 14.498 3.284 ( 1.812 0.000 14.385) 14.498 3.352 ( 1.465 0.000 -3.441) 3.740 3.352 ( 1.465 0.000 3.441) 3.740 3.704 ( 14.751 0.000 -7.316) 16.466 3.704 ( 14.751 0.000 7.316) 16.466 3.717 ( -0.299 0.000 -10.802) 10.806 3.717 ( -0.299 0.000 10.802) 10.806 4.570 ( 6.957 0.000 -2.542) 7.407 4.570 ( 6.957 0.000 2.542) 7.407 4.955 ( -8.975 0.000 -3.538) 9.647 4.955 ( -8.975 0.000 3.538) 9.647 7.501 ( 5.149 0.000 -9.074) 10.433 7.501 ( 5.149 0.000 9.074) 10.433 8.059 ( -11.155 0.000 -8.856) 14.243 8.059 ( -11.155 0.000 8.856) 14.243 8.366 ( 5.451 0.000 -4.751) 7.231 8.366 ( 5.451 0.000 4.751) 7.231 8.813 ( -3.847 0.000 -2.644) 4.668 8.813 ( -3.847 0.000 2.644) 4.668 9.168 ( 7.732 0.000 -2.619) 8.164 9.168 ( 7.732 0.000 2.619) 8.164 9.343 ( -2.487 0.000 -3.185) 4.041 9.343 ( -2.487 0.000 3.185) 4.041 11.769 ( 4.349 0.000 -6.341) 7.689 11.769 ( 4.349 0.000 6.341) 7.689 13.036 ( -1.524 0.000 -4.067) 4.343 13.036 ( -1.524 0.000 4.067) 4.343 13.292 ( -1.492 0.000 -6.649) 6.815 13.292 ( -1.492 0.000 6.649) 6.815 14.335 ( -3.477 0.000 -4.759) 5.894 14.335 ( -3.477 0.000 4.759) 5.894 18.727 ( 0.433 0.000 -6.512) 6.526 18.727 ( 0.433 0.000 6.512) 6.526 19.197 ( -2.370 0.000 -12.818) 13.035 19.197 ( -2.370 0.000 12.818) 13.035 19.923 ( 6.419 0.000 -7.294) 9.716 19.923 ( 6.419 0.000 7.294) 9.716 20.931 ( -13.075 0.000 -6.472) 14.589 20.931 ( -13.075 0.000 6.472) 14.589 23.495 ( 5.423 0.000 -0.868) 5.492 23.495 ( 5.423 0.000 0.868) 5.492 24.243 ( -7.746 0.000 -4.058) 8.745 24.243 ( -7.746 0.000 4.058) 8.745 ======================= Grid point 258 (84/100) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -0.669 0.000 -2.491) 2.580 1.083 ( -0.669 0.000 2.491) 2.580 1.270 ( 4.579 0.000 -5.341) 7.036 1.270 ( 4.579 0.000 5.341) 7.036 1.309 ( 8.178 0.000 -0.660) 8.204 1.309 ( 8.178 0.000 0.660) 8.204 1.556 ( 1.982 0.000 -1.493) 2.482 1.556 ( 1.982 0.000 1.493) 2.482 1.565 ( -0.641 0.000 -1.276) 1.428 1.565 ( -0.641 0.000 1.276) 1.428 1.913 ( -16.841 0.000 -1.690) 16.926 1.913 ( -16.841 0.000 1.690) 16.926 2.114 ( 5.691 0.000 -7.945) 9.773 2.114 ( 5.691 0.000 7.945) 9.773 2.416 ( -10.299 0.000 -4.104) 11.087 2.416 ( -10.299 0.000 4.104) 11.087 3.294 ( -0.223 0.000 -9.788) 9.791 3.294 ( -0.223 0.000 9.788) 9.791 3.365 ( 0.167 0.000 -2.388) 2.394 3.365 ( 0.167 0.000 2.388) 2.394 3.735 ( 1.360 0.000 -7.071) 7.200 3.735 ( 1.360 0.000 7.071) 7.200 4.015 ( 14.665 0.000 -6.055) 15.866 4.015 ( 14.665 0.000 6.055) 15.866 4.686 ( 4.119 0.000 -1.249) 4.305 4.686 ( 4.119 0.000 1.249) 4.305 4.753 ( -10.372 0.000 -3.579) 10.972 4.753 ( -10.372 0.000 3.579) 10.972 7.602 ( 4.253 0.000 -5.511) 6.962 7.602 ( 4.253 0.000 5.511) 6.962 7.878 ( -6.310 0.000 -4.860) 7.964 7.878 ( -6.310 0.000 4.860) 7.964 8.474 ( 5.257 0.000 -3.135) 6.121 8.474 ( 5.257 0.000 3.135) 6.121 8.715 ( -5.720 0.000 -2.056) 6.078 8.715 ( -5.720 0.000 2.056) 6.078 9.287 ( 3.893 0.000 -1.558) 4.194 9.287 ( 3.893 0.000 1.558) 4.194 9.304 ( -1.210 0.000 -1.279) 1.761 9.304 ( -1.210 0.000 1.279) 1.761 11.847 ( 2.981 0.000 -3.721) 4.768 11.847 ( 2.981 0.000 3.721) 4.768 13.010 ( -0.962 0.000 -2.385) 2.572 13.010 ( -0.962 0.000 2.385) 2.572 13.259 ( -1.527 0.000 -3.647) 3.954 13.259 ( -1.527 0.000 3.647) 3.954 14.281 ( -1.670 0.000 -3.247) 3.651 14.281 ( -1.670 0.000 3.247) 3.651 18.734 ( 0.184 0.000 -4.013) 4.018 18.734 ( 0.184 0.000 4.013) 4.018 19.154 ( -1.591 0.000 -7.123) 7.298 19.154 ( -1.591 0.000 7.123) 7.298 20.085 ( 9.256 0.000 -7.226) 11.742 20.085 ( 9.256 0.000 7.226) 11.742 20.651 ( -13.751 0.000 -7.173) 15.510 20.651 ( -13.751 0.000 7.173) 15.510 23.624 ( 6.974 0.000 -1.013) 7.047 23.624 ( 6.974 0.000 1.013) 7.047 24.072 ( -8.576 0.000 -2.211) 8.856 24.072 ( -8.576 0.000 2.211) 8.856 ======================= Grid point 260 (85/100) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.326 ( 0.000 0.000 0.000) 0.000 1.326 ( 0.000 0.000 0.000) 0.000 1.477 ( -0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.558 ( 0.000 0.000 0.000) 0.000 1.558 ( 0.000 0.000 0.000) 0.000 1.614 ( -0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.617 ( -0.000 0.000 -0.000) 0.000 1.617 ( 0.000 0.000 -0.000) 0.000 2.184 ( 0.000 0.000 -0.000) 0.000 2.184 ( 0.000 0.000 -0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.291 ( -0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.751 ( -0.000 0.000 -0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 7.813 ( 0.000 0.000 0.000) 0.000 7.813 ( 0.000 0.000 0.000) 0.000 8.570 ( -0.000 0.000 -0.000) 0.000 8.570 ( 0.000 0.000 0.000) 0.000 8.609 ( -0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 9.293 ( 0.000 0.000 0.000) 0.000 9.293 ( 0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 11.878 ( 0.000 0.000 0.000) 0.000 11.878 ( 0.000 0.000 0.000) 0.000 13.000 ( 0.000 0.000 0.000) 0.000 13.000 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 14.265 ( 0.000 0.000 0.000) 0.000 14.265 ( 0.000 0.000 0.000) 0.000 18.735 ( 0.000 0.000 0.000) 0.000 18.735 ( 0.000 0.000 0.000) 0.000 19.137 ( 0.000 0.000 0.000) 0.000 19.137 ( 0.000 0.000 0.000) 0.000 20.238 ( 0.000 0.000 -0.000) 0.000 20.238 ( 0.000 0.000 0.000) 0.000 20.450 ( 0.000 0.000 0.000) 0.000 20.450 ( 0.000 0.000 0.000) 0.000 23.726 ( -0.000 0.000 0.000) 0.000 23.726 ( 0.000 0.000 0.000) 0.000 23.953 ( 0.000 0.000 0.000) 0.000 23.953 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 270 (86/100) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.000 -9.164 -2.911) 9.615 1.097 ( 0.000 -9.164 2.911) 9.615 1.139 ( 0.000 -1.291 -4.214) 4.407 1.139 ( 0.000 -1.291 4.214) 4.407 1.228 ( 0.000 1.366 -0.982) 1.682 1.228 ( 0.000 1.366 0.982) 1.682 1.366 ( 0.000 -2.227 -3.006) 3.741 1.366 ( 0.000 -2.227 3.006) 3.741 1.646 ( 0.000 2.730 -3.358) 4.328 1.646 ( 0.000 2.730 3.358) 4.328 1.746 ( 0.000 -0.527 -10.397) 10.411 1.746 ( 0.000 -0.527 10.397) 10.411 2.664 ( 0.000 0.251 -4.846) 4.852 2.664 ( 0.000 0.251 4.846) 4.852 2.937 ( 0.000 -11.449 -1.507) 11.548 2.937 ( 0.000 -11.449 1.507) 11.548 2.990 ( 0.000 0.103 -6.466) 6.466 2.990 ( 0.000 0.103 6.466) 6.466 3.389 ( 0.000 0.836 -2.213) 2.365 3.389 ( 0.000 0.836 2.213) 2.365 3.429 ( 0.000 8.136 -2.984) 8.666 3.429 ( 0.000 8.136 2.984) 8.666 3.864 ( 0.000 5.129 -5.142) 7.263 3.864 ( 0.000 5.129 5.142) 7.263 4.332 ( 0.000 -1.291 -4.211) 4.404 4.332 ( 0.000 -1.291 4.211) 4.404 5.146 ( 0.000 -0.995 -2.933) 3.098 5.146 ( 0.000 -0.995 2.933) 3.098 7.453 ( 0.000 6.826 -12.471) 14.217 7.453 ( 0.000 6.826 12.471) 14.217 8.173 ( 0.000 -3.764 -7.361) 8.268 8.173 ( 0.000 -3.764 7.361) 8.268 8.482 ( 0.000 -0.114 -14.720) 14.720 8.482 ( 0.000 -0.114 14.720) 14.720 8.742 ( 0.000 -5.136 -0.735) 5.188 8.742 ( 0.000 -5.136 0.735) 5.188 9.011 ( 0.000 7.517 -1.862) 7.744 9.011 ( 0.000 7.517 1.862) 7.744 9.352 ( 0.000 -5.355 -4.462) 6.971 9.352 ( 0.000 -5.355 4.462) 6.971 11.706 ( 0.000 4.513 -7.539) 8.787 11.706 ( 0.000 4.513 7.539) 8.787 12.951 ( 0.000 -8.646 -0.122) 8.647 12.951 ( 0.000 -8.646 0.122) 8.647 13.462 ( 0.000 10.479 -3.358) 11.003 13.462 ( 0.000 10.479 3.358) 11.003 14.378 ( 0.000 -6.422 -0.552) 6.445 14.378 ( 0.000 -6.422 0.552) 6.445 18.722 ( 0.000 0.739 -5.851) 5.897 18.722 ( 0.000 0.739 5.851) 5.897 19.253 ( 0.000 -0.522 -14.474) 14.483 19.253 ( 0.000 -0.522 14.474) 14.483 19.894 ( 0.000 9.356 -7.063) 11.723 19.894 ( 0.000 9.356 7.063) 11.723 21.180 ( 0.000 -5.628 -2.826) 6.297 21.180 ( 0.000 -5.628 2.826) 6.297 23.391 ( 0.000 0.768 -0.176) 0.788 23.391 ( 0.000 0.768 0.176) 0.788 24.394 ( 0.000 -2.025 -5.866) 6.206 24.394 ( 0.000 -2.025 5.866) 6.206 ======================= Grid point 272 (87/100) ======================= q-point: ( 0.12 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.783 -7.424 -8.110) 11.138 1.062 ( -1.783 -7.424 8.110) 11.138 1.164 ( 1.512 0.073 -4.502) 4.750 1.164 ( 1.512 0.073 4.502) 4.750 1.241 ( 1.060 2.226 -1.232) 2.757 1.241 ( 1.060 2.226 1.232) 2.757 1.395 ( 2.871 -3.168 -3.401) 5.463 1.395 ( 2.871 -3.168 3.401) 5.463 1.633 ( -1.157 2.633 -3.076) 4.211 1.633 ( -1.157 2.633 3.076) 4.211 1.807 ( 5.437 -1.300 -9.170) 10.740 1.807 ( 5.437 -1.300 9.170) 10.740 2.596 ( -7.054 5.589 -3.049) 9.502 2.596 ( -7.054 5.589 3.049) 9.502 2.777 ( -9.982 -7.342 -3.058) 12.763 2.777 ( -9.982 -7.342 3.058) 12.763 3.051 ( 1.083 -9.046 -6.864) 11.407 3.051 ( 1.083 -9.046 6.864) 11.407 3.447 ( 4.289 3.907 -1.670) 6.038 3.447 ( 4.289 3.907 1.670) 6.038 3.495 ( 7.666 5.333 -6.779) 11.540 3.495 ( 7.666 5.333 6.779) 11.540 3.852 ( -1.170 7.361 -6.037) 9.592 3.852 ( -1.170 7.361 6.037) 9.592 4.383 ( 4.539 -3.599 -3.696) 6.871 4.383 ( 4.539 -3.599 3.696) 6.871 5.095 ( -4.867 -0.663 -2.861) 5.684 5.095 ( -4.867 -0.663 2.861) 5.684 7.463 ( 1.230 4.832 -11.494) 12.529 7.463 ( 1.230 4.832 11.494) 12.529 8.146 ( -5.415 -7.412 -9.443) 13.170 8.146 ( -5.415 -7.412 9.443) 13.170 8.396 ( -1.630 4.818 -8.081) 9.549 8.396 ( -1.630 4.818 8.081) 9.549 8.839 ( 4.059 -2.521 -3.917) 6.179 8.839 ( 4.059 -2.521 3.917) 6.179 9.047 ( 4.419 5.094 -0.429) 6.758 9.047 ( 4.419 5.094 0.429) 6.758 9.331 ( -1.876 -5.233 -3.754) 6.708 9.331 ( -1.876 -5.233 3.754) 6.708 11.738 ( 3.081 4.472 -7.216) 9.031 11.738 ( 3.081 4.472 7.216) 9.031 12.935 ( -1.594 -8.965 -1.375) 9.209 12.935 ( -1.594 -8.965 1.375) 9.209 13.459 ( -0.331 10.615 -3.450) 11.166 13.459 ( -0.331 10.615 3.450) 11.166 14.346 ( -2.862 -5.976 -3.142) 7.333 14.346 ( -2.862 -5.976 3.142) 7.333 18.730 ( 0.719 1.020 -6.010) 6.138 18.730 ( 0.719 1.020 6.010) 6.138 19.235 ( -1.658 -0.453 -13.716) 13.824 19.235 ( -1.658 -0.453 13.716) 13.824 19.916 ( 2.182 8.406 -7.001) 11.155 19.916 ( 2.182 8.406 7.001) 11.155 21.099 ( -7.724 -5.195 -4.017) 10.138 21.099 ( -7.724 -5.195 4.017) 10.138 23.419 ( 2.752 0.738 -0.453) 2.885 23.419 ( 2.752 0.738 0.453) 2.885 24.348 ( -4.429 -1.990 -5.130) 7.064 24.348 ( -4.429 -1.990 5.130) 7.064 ======================= Grid point 274 (88/100) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.708 -4.296 -6.906) 8.164 1.051 ( 0.708 -4.296 6.906) 8.164 1.202 ( 2.704 1.465 -3.084) 4.355 1.202 ( 2.704 1.465 3.084) 4.355 1.279 ( 2.971 4.288 -3.220) 6.130 1.279 ( 2.971 4.288 3.220) 6.130 1.470 ( 4.127 -3.029 -3.596) 6.256 1.470 ( 4.127 -3.029 3.596) 6.256 1.601 ( -1.981 2.003 -2.665) 3.878 1.601 ( -1.981 2.003 2.665) 3.878 1.938 ( 6.765 -3.007 -7.371) 10.447 1.938 ( 6.765 -3.007 7.371) 10.447 2.385 ( -12.869 12.861 -2.133) 18.318 2.385 ( -12.869 12.861 2.133) 18.318 2.567 ( -10.667 -6.814 -3.880) 13.239 2.567 ( -10.667 -6.814 3.880) 13.239 3.041 ( -1.354 -13.040 -5.402) 14.179 3.041 ( -1.354 -13.040 5.402) 14.179 3.542 ( 4.578 7.412 -2.745) 9.134 3.542 ( 4.578 7.412 2.745) 9.134 3.710 ( 11.259 0.908 -6.326) 12.946 3.710 ( 11.259 0.908 6.326) 12.946 3.833 ( 0.842 9.046 -9.226) 12.949 3.833 ( 0.842 9.046 9.226) 12.949 4.490 ( 5.408 -6.808 -2.379) 9.014 4.490 ( 5.408 -6.808 2.379) 9.014 4.959 ( -8.173 0.228 -2.745) 8.625 4.959 ( -8.173 0.228 2.745) 8.625 7.508 ( 3.149 0.963 -9.052) 9.633 7.508 ( 3.149 0.963 9.052) 9.633 7.966 ( -9.768 -7.433 -9.359) 15.436 7.966 ( -9.768 -7.433 9.359) 15.436 8.456 ( 5.126 7.145 -5.396) 10.317 8.456 ( 5.126 7.145 5.396) 10.317 8.847 ( -2.268 3.072 -1.730) 4.193 8.847 ( -2.268 3.072 1.730) 4.193 9.172 ( 6.263 -0.411 -2.868) 6.900 9.172 ( 6.263 -0.411 2.868) 6.900 9.289 ( -1.803 -4.316 -2.011) 5.092 9.289 ( -1.803 -4.316 2.011) 5.092 11.819 ( 4.457 4.589 -6.023) 8.787 11.819 ( 4.457 4.589 6.023) 8.787 12.890 ( -2.644 -10.092 -2.085) 10.639 12.890 ( -2.644 -10.092 2.085) 10.639 13.448 ( -0.752 11.171 -3.103) 11.618 13.448 ( -0.752 11.171 3.103) 11.618 14.281 ( -3.021 -5.112 -4.407) 7.394 14.281 ( -3.021 -5.112 4.407) 7.394 18.749 ( 1.061 1.923 -5.921) 6.315 18.749 ( 1.061 1.923 5.921) 6.315 19.191 ( -2.465 -0.493 -11.274) 11.550 19.191 ( -2.465 -0.493 11.274) 11.550 19.987 ( 4.899 6.000 -6.831) 10.328 19.987 ( 4.899 6.000 6.831) 10.328 20.888 ( -12.389 -4.098 -5.638) 14.215 20.888 ( -12.389 -4.098 5.638) 14.215 23.502 ( 5.346 0.635 -0.792) 5.441 23.502 ( 5.346 0.635 0.792) 5.441 24.222 ( -7.648 -1.865 -3.502) 8.616 24.222 ( -7.648 -1.865 3.502) 8.616 ======================= Grid point 276 (89/100) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 1.424 -0.602 -3.096) 3.460 1.077 ( 1.424 -0.602 3.096) 3.460 1.287 ( 5.217 2.102 -2.361) 6.100 1.287 ( 5.217 2.102 2.361) 6.100 1.357 ( 4.440 1.875 -2.548) 5.452 1.357 ( 4.440 1.875 2.548) 5.452 1.544 ( 0.536 -0.861 -2.183) 2.407 1.544 ( 0.536 -0.861 2.183) 2.407 1.564 ( 0.953 1.106 -0.793) 1.662 1.564 ( 0.953 1.106 0.793) 1.662 2.039 ( -0.453 0.232 -3.377) 3.415 2.039 ( -0.453 0.232 3.377) 3.415 2.135 ( -7.382 13.045 -2.480) 15.193 2.135 ( -7.382 13.045 2.480) 15.193 2.360 ( -8.955 -4.101 -3.069) 10.317 2.360 ( -8.955 -4.101 3.069) 10.317 3.015 ( -0.921 -14.214 -3.801) 14.742 3.015 ( -0.921 -14.214 3.801) 14.742 3.613 ( 2.200 10.924 -4.574) 12.046 3.613 ( 2.200 10.924 4.574) 12.046 3.781 ( -0.104 3.442 -6.886) 7.699 3.781 ( -0.104 3.442 6.886) 7.699 4.021 ( 12.404 0.187 -6.239) 13.886 4.021 ( 12.404 0.187 6.239) 13.886 4.582 ( 3.289 -7.522 -0.443) 8.221 4.582 ( 3.289 -7.522 0.443) 8.221 4.780 ( -8.788 1.168 -2.201) 9.135 4.780 ( -8.788 1.168 2.201) 9.135 7.579 ( 3.342 -2.020 -5.364) 6.635 7.579 ( 3.342 -2.020 5.364) 6.635 7.799 ( -6.182 -6.520 -5.523) 10.547 7.799 ( -6.182 -6.520 5.523) 10.547 8.560 ( 4.986 7.097 -3.715) 9.436 8.560 ( 4.986 7.097 3.715) 9.436 8.772 ( -4.729 5.708 -1.111) 7.496 8.772 ( -4.729 5.708 1.111) 7.496 9.245 ( 0.349 -5.079 -1.978) 5.462 9.245 ( 0.349 -5.079 1.978) 5.462 9.292 ( 2.473 -0.263 -0.251) 2.499 9.292 ( 2.473 -0.263 0.251) 2.499 11.902 ( 3.263 5.158 -3.580) 7.076 11.902 ( 3.263 5.158 3.580) 7.076 12.837 ( -2.204 -11.845 -1.598) 12.154 12.837 ( -2.204 -11.845 1.598) 12.154 13.432 ( -0.711 12.013 -1.803) 12.169 13.432 ( -0.711 12.013 1.803) 12.169 14.235 ( -1.453 -4.510 -3.027) 5.623 14.235 ( -1.453 -4.510 3.027) 5.623 18.769 ( 0.784 3.252 -4.155) 5.334 18.769 ( 0.784 3.252 4.155) 5.334 19.145 ( -1.814 -0.926 -6.709) 7.011 19.145 ( -1.814 -0.926 6.709) 7.011 20.117 ( 7.803 3.099 -6.413) 10.565 20.117 ( 7.803 3.099 6.413) 10.565 20.624 ( -12.902 -2.584 -6.183) 14.539 20.624 ( -12.902 -2.584 6.183) 14.539 23.630 ( 6.977 0.536 -0.934) 7.060 23.630 ( 6.977 0.536 0.934) 7.060 24.053 ( -8.559 -1.729 -1.942) 8.946 24.053 ( -8.559 -1.729 1.942) 8.946 ======================= Grid point 278 (90/100) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 1.204 0.000) 1.204 1.094 ( 0.000 1.204 0.000) 1.204 1.352 ( 0.000 2.610 0.000) 2.610 1.352 ( 0.000 2.610 0.000) 2.610 1.429 ( -0.000 -5.882 0.000) 5.882 1.429 ( 0.000 -5.882 0.000) 5.882 1.511 ( 0.000 3.391 0.000) 3.391 1.511 ( 0.000 3.391 0.000) 3.391 1.613 ( -0.000 -0.152 0.000) 0.152 1.613 ( 0.000 -0.152 0.000) 0.152 1.932 ( 0.000 20.437 0.000) 20.437 1.932 ( 0.000 20.437 0.000) 20.437 2.139 ( 0.000 -2.800 -0.000) 2.800 2.139 ( 0.000 -2.800 -0.000) 2.800 2.252 ( 0.000 -2.820 0.000) 2.820 2.252 ( 0.000 -2.820 0.000) 2.820 3.006 ( 0.000 -14.355 0.000) 14.355 3.006 ( 0.000 -14.355 0.000) 14.355 3.634 ( 0.000 13.218 0.000) 13.218 3.634 ( 0.000 13.218 0.000) 13.218 3.780 ( 0.000 1.546 -0.000) 1.546 3.780 ( 0.000 1.546 0.000) 1.546 4.177 ( 0.000 -3.673 0.000) 3.673 4.177 ( 0.000 -3.673 0.000) 3.673 4.614 ( -0.000 0.632 0.000) 0.632 4.614 ( 0.000 0.632 0.000) 0.632 4.667 ( -0.000 -4.671 0.000) 4.671 4.667 ( 0.000 -4.671 0.000) 4.671 7.621 ( 0.000 -2.650 -0.000) 2.650 7.621 ( 0.000 -2.650 0.000) 2.650 7.731 ( 0.000 -6.703 0.000) 6.703 7.731 ( 0.000 -6.703 0.000) 6.703 8.647 ( -0.000 3.717 -0.000) 3.717 8.647 ( 0.000 3.717 0.000) 3.717 8.685 ( 0.000 9.785 0.000) 9.785 8.685 ( 0.000 9.785 0.000) 9.785 9.245 ( 0.000 -4.465 0.000) 4.465 9.245 ( 0.000 -4.465 0.000) 4.465 9.322 ( 0.000 -0.686 0.000) 0.686 9.322 ( 0.000 -0.686 0.000) 0.686 11.937 ( 0.000 5.596 0.000) 5.596 11.937 ( 0.000 5.596 0.000) 5.596 12.813 ( 0.000 -12.814 0.000) 12.814 12.813 ( 0.000 -12.814 0.000) 12.814 13.424 ( 0.000 12.428 0.000) 12.428 13.424 ( 0.000 12.428 0.000) 12.428 14.221 ( 0.000 -4.325 0.000) 4.325 14.221 ( 0.000 -4.325 0.000) 4.325 18.777 ( 0.000 3.978 0.000) 3.978 18.777 ( 0.000 3.978 0.000) 3.978 19.126 ( 0.000 -1.267 0.000) 1.267 19.126 ( 0.000 -1.267 0.000) 1.267 20.250 ( 0.000 1.250 -0.000) 1.250 20.250 ( 0.000 1.250 0.000) 1.250 20.436 ( -0.000 -1.333 0.000) 1.333 20.436 ( 0.000 -1.333 0.000) 1.333 23.735 ( -0.000 0.886 0.000) 0.886 23.735 ( 0.000 0.886 0.000) 0.886 23.931 ( 0.000 -2.061 0.000) 2.061 23.931 ( 0.000 -2.061 0.000) 2.061 ======================= Grid point 288 (91/100) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 -11.414 -4.742) 12.360 0.860 ( 0.000 -11.414 4.742) 12.360 1.124 ( 0.000 -0.451 -5.606) 5.624 1.124 ( 0.000 -0.451 5.606) 5.624 1.269 ( 0.000 1.295 -0.739) 1.491 1.269 ( 0.000 1.295 0.739) 1.491 1.316 ( 0.000 -2.135 -2.911) 3.610 1.316 ( 0.000 -2.135 2.911) 3.610 1.696 ( 0.000 2.213 -2.863) 3.618 1.696 ( 0.000 2.213 2.863) 3.618 1.740 ( 0.000 -0.063 -5.079) 5.079 1.740 ( 0.000 -0.063 5.079) 5.079 2.645 ( 0.000 -2.164 -3.795) 4.368 2.645 ( 0.000 -2.164 3.795) 4.368 2.734 ( 0.000 -7.175 -3.044) 7.794 2.734 ( 0.000 -7.175 3.044) 7.794 3.050 ( 0.000 4.764 -6.004) 7.664 3.050 ( 0.000 4.764 6.004) 7.664 3.403 ( 0.000 0.425 -0.651) 0.777 3.403 ( 0.000 0.425 0.651) 0.777 3.531 ( 0.000 2.056 -3.216) 3.817 3.531 ( 0.000 2.056 3.216) 3.817 3.961 ( 0.000 3.576 -3.217) 4.810 3.961 ( 0.000 3.576 3.217) 4.810 4.311 ( 0.000 -0.538 -2.910) 2.960 4.311 ( 0.000 -0.538 2.910) 2.960 5.126 ( 0.000 -0.837 -1.419) 1.648 5.126 ( 0.000 -0.837 1.419) 1.648 7.641 ( 0.000 11.242 -13.448) 17.528 7.641 ( 0.000 11.242 13.448) 17.528 8.066 ( 0.000 -6.918 -10.481) 12.558 8.066 ( 0.000 -6.918 10.481) 12.558 8.481 ( 0.000 0.047 -11.521) 11.521 8.481 ( 0.000 0.047 11.521) 11.521 8.636 ( 0.000 -5.175 -3.517) 6.257 8.636 ( 0.000 -5.175 3.517) 6.257 9.146 ( 0.000 5.270 -2.386) 5.785 9.146 ( 0.000 5.270 2.386) 5.785 9.248 ( 0.000 -3.960 -1.134) 4.119 9.248 ( 0.000 -3.960 1.134) 4.119 11.803 ( 0.000 4.304 -5.251) 6.790 11.803 ( 0.000 4.304 5.251) 6.790 12.796 ( 0.000 -6.012 -1.483) 6.192 12.796 ( 0.000 -6.012 1.483) 6.192 13.680 ( 0.000 10.549 -0.351) 10.555 13.680 ( 0.000 10.549 0.351) 10.555 14.212 ( 0.000 -9.241 -0.792) 9.274 14.212 ( 0.000 -9.241 0.792) 9.274 18.736 ( 0.000 0.534 -2.628) 2.682 18.736 ( 0.000 0.534 2.628) 2.682 19.243 ( 0.000 -0.342 -7.853) 7.860 19.243 ( 0.000 -0.342 7.853) 7.860 20.123 ( 0.000 11.693 -5.410) 12.884 20.123 ( 0.000 11.693 5.410) 12.884 21.032 ( 0.000 -8.203 -2.419) 8.553 21.032 ( 0.000 -8.203 2.419) 8.553 23.409 ( 0.000 0.821 -0.002) 0.821 23.409 ( 0.000 0.821 0.002) 0.821 24.349 ( 0.000 -2.033 -3.309) 3.884 24.349 ( 0.000 -2.033 3.309) 3.884 ======================= Grid point 290 (92/100) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 2.526 -8.668 -6.448) 11.094 0.885 ( 2.526 -8.668 6.448) 11.094 1.163 ( 3.292 0.130 -4.936) 5.934 1.163 ( 3.292 0.130 4.936) 5.934 1.282 ( 1.627 0.998 -1.120) 2.213 1.282 ( 1.627 0.998 1.120) 2.213 1.331 ( 1.560 -2.650 -3.801) 4.889 1.331 ( 1.560 -2.650 3.801) 4.889 1.687 ( -0.854 2.649 -2.441) 3.702 1.687 ( -0.854 2.649 2.441) 3.702 1.781 ( 3.622 -1.188 -4.617) 5.987 1.781 ( 3.622 -1.188 4.617) 5.987 2.597 ( -4.704 -3.117 -2.846) 6.320 2.597 ( -4.704 -3.117 2.846) 6.320 2.718 ( -1.816 -3.967 -0.881) 4.451 2.718 ( -1.816 -3.967 0.881) 4.451 2.993 ( -4.892 6.668 -5.848) 10.129 2.993 ( -4.892 6.668 5.848) 10.129 3.475 ( 6.579 0.591 -0.733) 6.646 3.475 ( 6.579 0.591 0.733) 6.646 3.566 ( 3.404 -0.675 -3.074) 4.636 3.566 ( 3.404 -0.675 3.074) 4.636 3.974 ( 0.901 3.625 -3.650) 5.222 3.974 ( 0.901 3.625 3.650) 5.222 4.326 ( 1.685 -0.956 -2.936) 3.518 4.326 ( 1.685 -0.956 2.936) 3.518 5.080 ( -4.371 -0.698 -1.446) 4.656 5.080 ( -4.371 -0.698 1.446) 4.656 7.601 ( -3.087 8.474 -12.236) 15.201 7.601 ( -3.087 8.474 12.236) 15.201 7.982 ( -7.861 -8.767 -11.665) 16.575 7.982 ( -7.861 -8.767 11.665) 16.575 8.496 ( 4.142 5.402 -7.356) 10.022 8.496 ( 4.142 5.402 7.356) 10.022 8.762 ( 8.312 -5.393 -6.373) 11.781 8.762 ( 8.312 -5.393 6.373) 11.781 9.143 ( -0.644 3.461 -1.614) 3.872 9.143 ( -0.644 3.461 1.614) 3.872 9.234 ( -0.866 -3.127 -0.930) 3.375 9.234 ( -0.866 -3.127 0.930) 3.375 11.837 ( 3.218 4.427 -5.048) 7.445 11.837 ( 3.218 4.427 5.048) 7.445 12.773 ( -2.345 -6.365 -1.787) 7.014 12.773 ( -2.345 -6.365 1.787) 7.014 13.680 ( -0.031 10.707 -1.336) 10.790 13.680 ( -0.031 10.707 1.336) 10.790 14.189 ( -2.085 -8.917 -2.533) 9.501 14.189 ( -2.085 -8.917 2.533) 9.501 18.750 ( 1.332 0.787 -3.104) 3.468 18.750 ( 1.332 0.787 3.104) 3.468 19.226 ( -1.620 -0.329 -7.586) 7.764 19.226 ( -1.620 -0.329 7.586) 7.764 20.124 ( 0.210 10.758 -5.228) 11.963 20.124 ( 0.210 10.758 5.228) 11.963 20.961 ( -6.718 -7.658 -2.820) 10.570 20.961 ( -6.718 -7.658 2.820) 10.570 23.436 ( 2.700 0.810 -0.287) 2.833 23.436 ( 2.700 0.810 0.287) 2.833 24.303 ( -4.367 -2.020 -2.912) 5.624 24.303 ( -4.367 -2.020 2.912) 5.624 ======================= Grid point 292 (93/100) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 4.645 -4.343 -6.810) 9.317 0.960 ( 4.645 -4.343 6.810) 9.317 1.235 ( 3.904 1.979 -3.550) 5.636 1.235 ( 3.904 1.979 3.550) 5.636 1.333 ( 2.205 0.936 -1.863) 3.035 1.333 ( 2.205 0.936 1.863) 3.035 1.395 ( 5.365 -3.999 -5.337) 8.559 1.395 ( 5.365 -3.999 5.337) 8.559 1.664 ( -1.291 4.085 -2.123) 4.781 1.664 ( -1.291 4.085 2.123) 4.781 1.865 ( 4.202 -3.996 -3.530) 6.789 1.865 ( 4.202 -3.996 3.530) 6.789 2.467 ( -7.657 -1.687 -1.594) 8.001 2.467 ( -7.657 -1.687 1.594) 8.001 2.634 ( -6.894 1.716 -2.627) 7.575 2.634 ( -6.894 1.716 2.627) 7.575 2.901 ( -3.071 7.918 -4.681) 9.697 2.901 ( -3.071 7.918 4.681) 9.697 3.608 ( 4.762 -2.145 -1.472) 5.426 3.608 ( 4.762 -2.145 1.472) 5.426 3.689 ( 8.815 -3.208 -3.222) 9.918 3.689 ( 8.815 -3.208 3.222) 9.918 3.983 ( 0.078 4.159 -4.456) 6.095 3.983 ( 0.078 4.159 4.456) 6.095 4.383 ( 3.834 -1.786 -2.048) 4.699 4.383 ( 3.834 -1.786 2.048) 4.699 4.958 ( -7.341 -0.317 -1.450) 7.490 4.958 ( -7.341 -0.317 1.450) 7.490 7.550 ( -1.458 3.452 -9.410) 10.129 7.550 ( -1.458 3.452 9.410) 10.129 7.804 ( -8.510 -8.176 -10.275) 15.648 7.804 ( -8.510 -8.176 10.275) 15.648 8.616 ( 6.203 8.570 -6.100) 12.212 8.616 ( 6.203 8.570 6.100) 12.212 8.899 ( 4.434 0.072 -4.210) 6.115 8.899 ( 4.434 0.072 4.210) 6.115 9.110 ( -1.957 -4.143 -2.367) 5.157 9.110 ( -1.957 -4.143 2.367) 5.157 9.240 ( 1.448 -0.508 -1.454) 2.114 9.240 ( 1.448 -0.508 1.454) 2.114 11.926 ( 5.262 5.136 -4.366) 8.552 11.926 ( 5.262 5.136 4.366) 8.552 12.702 ( -4.435 -7.671 -2.169) 9.123 12.702 ( -4.435 -7.671 2.169) 9.123 13.679 ( -0.073 11.238 -1.961) 11.408 13.679 ( -0.073 11.238 1.961) 11.408 14.141 ( -2.261 -8.359 -3.536) 9.354 14.141 ( -2.261 -8.359 3.536) 9.354 18.790 ( 2.514 1.739 -3.953) 4.997 18.790 ( 2.514 1.739 3.953) 4.997 19.180 ( -2.857 -0.508 -6.791) 7.385 19.180 ( -2.857 -0.508 6.791) 7.385 20.140 ( 1.616 8.157 -4.712) 9.558 20.140 ( 1.616 8.157 4.712) 9.558 20.778 ( -10.689 -6.185 -3.403) 12.810 20.778 ( -10.689 -6.185 3.403) 12.810 23.517 ( 5.215 0.742 -0.517) 5.293 23.517 ( 5.215 0.742 0.517) 5.293 24.180 ( -7.490 -1.941 -2.022) 7.997 24.180 ( -7.490 -1.941 2.022) 7.997 ======================= Grid point 294 (94/100) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 4.718 -0.973 -3.839) 6.160 1.059 ( 4.718 -0.973 3.839) 6.160 1.310 ( 1.345 -2.110 -1.319) 2.828 1.310 ( 1.345 -2.110 1.319) 2.828 1.371 ( 3.304 2.677 -0.425) 4.274 1.371 ( 3.304 2.677 0.425) 4.274 1.516 ( 5.154 -2.400 -2.275) 6.124 1.516 ( 5.154 -2.400 2.275) 6.124 1.644 ( -0.392 6.348 -1.284) 6.488 1.644 ( -0.392 6.348 1.284) 6.488 1.938 ( 2.766 -6.852 -2.439) 7.782 1.938 ( 2.766 -6.852 2.439) 7.782 2.311 ( -6.938 0.539 -1.031) 7.035 2.311 ( -6.938 0.539 1.031) 7.035 2.470 ( -7.865 7.082 -2.043) 10.780 2.470 ( -7.865 7.082 2.043) 10.780 2.870 ( -0.479 7.812 -3.174) 8.446 2.870 ( -0.479 7.812 3.174) 8.446 3.681 ( 2.681 -8.244 -1.911) 8.877 3.681 ( 2.681 -8.244 1.911) 8.877 3.832 ( 3.344 2.091 -0.608) 3.991 3.832 ( 3.344 2.091 0.608) 3.991 4.008 ( 3.080 -0.498 -4.151) 5.193 4.008 ( 3.080 -0.498 4.151) 5.193 4.480 ( 5.808 -1.181 -1.294) 6.067 4.480 ( 5.808 -1.181 1.294) 6.067 4.794 ( -8.579 0.267 -1.287) 8.680 4.794 ( -8.579 0.267 1.287) 8.680 7.544 ( 0.611 -0.838 -5.269) 5.370 7.544 ( 0.611 -0.838 5.269) 5.370 7.662 ( -5.227 -6.374 -6.181) 10.303 7.662 ( -5.227 -6.374 6.181) 10.303 8.717 ( 3.497 8.056 -3.637) 9.506 8.717 ( 3.497 8.056 3.637) 9.506 8.921 ( -1.680 7.746 -0.721) 7.959 8.921 ( -1.680 7.746 0.721) 7.959 9.110 ( 1.866 -7.640 -2.386) 8.218 9.110 ( 1.866 -7.640 2.386) 8.218 9.271 ( 1.143 -2.045 -0.414) 2.380 9.271 ( 1.143 -2.045 0.414) 2.380 12.034 ( 4.858 7.237 -2.920) 9.193 12.034 ( 4.858 7.237 2.920) 9.193 12.606 ( -4.549 -10.410 -1.844) 11.510 12.606 ( -4.549 -10.410 1.844) 11.510 13.677 ( -0.108 11.911 -1.427) 11.997 13.677 ( -0.108 11.911 1.427) 11.997 14.106 ( -1.104 -8.055 -2.482) 8.501 14.106 ( -1.104 -8.055 2.482) 8.501 18.846 ( 2.770 3.813 -3.839) 6.078 18.846 ( 2.770 3.813 3.839) 6.078 19.118 ( -2.948 -1.619 -5.060) 6.076 19.118 ( -2.948 -1.619 5.060) 6.076 20.199 ( 4.367 4.593 -3.952) 7.469 20.199 ( 4.367 4.593 3.952) 7.469 20.554 ( -10.724 -3.998 -3.489) 11.965 20.554 ( -10.724 -3.998 3.489) 11.965 23.644 ( 7.080 0.705 -0.627) 7.143 23.644 ( 7.080 0.705 0.627) 7.143 24.013 ( -8.635 -1.886 -1.176) 8.916 24.013 ( -8.635 -1.886 1.176) 8.916 ======================= Grid point 296 (95/100) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.000 1.653 0.000) 1.653 1.119 ( 0.000 1.653 0.000) 1.653 1.302 ( 0.000 -6.469 0.000) 6.469 1.302 ( 0.000 -6.469 0.000) 6.469 1.429 ( 0.000 4.352 0.000) 4.352 1.429 ( 0.000 4.352 0.000) 4.352 1.567 ( 0.000 -0.680 0.000) 0.680 1.567 ( 0.000 -0.680 0.000) 0.680 1.647 ( -0.000 5.887 0.000) 5.887 1.647 ( 0.000 5.887 0.000) 5.887 1.968 ( 0.000 -7.809 -0.000) 7.809 1.968 ( 0.000 -7.809 0.000) 7.809 2.230 ( 0.000 1.590 0.000) 1.590 2.230 ( 0.000 1.590 0.000) 1.590 2.377 ( 0.000 9.021 0.000) 9.021 2.377 ( 0.000 9.021 0.000) 9.021 2.867 ( 0.000 8.082 0.000) 8.082 2.867 ( 0.000 8.082 0.000) 8.082 3.711 ( -0.000 -11.883 -0.000) 11.883 3.711 ( 0.000 -11.883 0.000) 11.883 3.851 ( 0.000 8.147 0.000) 8.147 3.851 ( 0.000 8.147 0.000) 8.147 4.056 ( 0.000 -6.069 0.000) 6.069 4.056 ( 0.000 -6.069 0.000) 6.069 4.614 ( -0.000 -0.084 0.000) 0.084 4.614 ( 0.000 -0.084 0.000) 0.084 4.629 ( -0.000 0.673 -0.000) 0.673 4.629 ( 0.000 0.673 -0.000) 0.673 7.560 ( 0.000 -2.707 -0.000) 2.707 7.560 ( 0.000 -2.707 0.000) 2.707 7.600 ( -0.000 -5.338 -0.000) 5.338 7.600 ( 0.000 -5.338 0.000) 5.338 8.755 ( -0.000 6.775 -0.000) 6.775 8.755 ( -0.000 6.775 0.000) 6.775 8.892 ( 0.000 8.611 0.000) 8.611 8.892 ( 0.000 8.611 0.000) 8.611 9.138 ( 0.000 -4.757 0.000) 4.757 9.138 ( 0.000 -4.757 0.000) 4.757 9.282 ( 0.000 -3.719 0.000) 3.719 9.282 ( 0.000 -3.719 0.000) 3.719 12.091 ( -0.000 9.395 0.000) 9.395 12.091 ( 0.000 9.395 0.000) 9.395 12.551 ( -0.000 -12.838 0.000) 12.838 12.551 ( 0.000 -12.838 0.000) 12.838 13.675 ( 0.000 12.206 0.000) 12.206 13.675 ( 0.000 12.206 0.000) 12.206 14.096 ( 0.000 -7.979 0.000) 7.979 14.096 ( 0.000 -7.979 0.000) 7.979 18.881 ( 0.000 5.854 0.000) 5.854 18.881 ( 0.000 5.854 0.000) 5.854 19.082 ( -0.000 -3.205 0.000) 3.205 19.082 ( 0.000 -3.205 0.000) 3.205 20.288 ( 0.000 2.395 -0.000) 2.395 20.288 ( 0.000 2.395 0.000) 2.395 20.398 ( -0.000 -2.441 0.000) 2.441 20.398 ( 0.000 -2.441 0.000) 2.441 23.763 ( -0.000 1.965 0.000) 1.965 23.763 ( 0.000 1.965 0.000) 1.965 23.877 ( 0.000 -3.135 0.000) 3.135 23.877 ( 0.000 -3.135 0.000) 3.135 ======================= Grid point 306 (96/100) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 0.000 0.000) 0.000 0.727 ( 0.000 0.000 0.000) 0.000 1.120 ( 0.000 0.000 -0.000) 0.000 1.120 ( 0.000 0.000 0.000) 0.000 1.271 ( 0.000 -0.000 -0.000) 0.000 1.271 ( 0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 -0.000 -0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 -0.000 -0.000) 0.000 7.842 ( 0.000 -0.000 0.000) 0.000 7.918 ( 0.000 0.000 -0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 -0.000) 0.000 8.573 ( 0.000 0.000 -0.000) 0.000 9.199 ( 0.000 -0.000 -0.000) 0.000 9.199 ( 0.000 -0.000 0.000) 0.000 9.212 ( 0.000 0.000 -0.000) 0.000 9.212 ( 0.000 0.000 0.000) 0.000 11.851 ( 0.000 0.000 0.000) 0.000 11.851 ( 0.000 0.000 0.000) 0.000 12.732 ( 0.000 0.000 0.000) 0.000 12.732 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.078 ( 0.000 -0.000 0.000) 0.000 14.078 ( 0.000 -0.000 0.000) 0.000 18.742 ( 0.000 0.000 0.000) 0.000 18.742 ( 0.000 0.000 0.000) 0.000 19.240 ( 0.000 0.000 0.000) 0.000 19.240 ( 0.000 0.000 0.000) 0.000 20.268 ( 0.000 0.000 0.000) 0.000 20.268 ( 0.000 0.000 0.000) 0.000 20.924 ( 0.000 0.000 0.000) 0.000 20.924 ( 0.000 0.000 0.000) 0.000 23.418 ( 0.000 0.000 0.000) 0.000 23.418 ( 0.000 0.000 0.000) 0.000 24.326 ( 0.000 0.000 0.000) 0.000 24.326 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 310 (97/100) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 5.073 0.000 0.000) 5.073 0.783 ( 5.073 0.000 0.000) 5.073 1.167 ( 4.484 -0.000 -0.000) 4.484 1.167 ( 4.484 0.000 0.000) 4.484 1.276 ( 0.859 0.000 -0.000) 0.859 1.276 ( 0.859 0.000 0.000) 0.859 1.312 ( 1.067 0.000 0.000) 1.067 1.312 ( 1.067 0.000 0.000) 1.067 1.723 ( -0.003 -0.000 0.000) 0.003 1.723 ( -0.003 0.000 0.000) 0.003 1.764 ( 2.058 0.000 0.000) 2.058 1.764 ( 2.058 0.000 0.000) 2.058 2.575 ( -2.922 0.000 0.000) 2.922 2.575 ( -2.922 0.000 0.000) 2.922 2.641 ( -3.048 -0.000 0.000) 3.048 2.641 ( -3.048 0.000 0.000) 3.048 3.125 ( 1.003 0.000 0.000) 1.003 3.125 ( 1.003 0.000 0.000) 1.003 3.475 ( 5.308 0.000 0.000) 5.308 3.475 ( 5.308 0.000 0.000) 5.308 3.525 ( -0.369 0.000 0.000) 0.369 3.525 ( -0.369 0.000 0.000) 0.369 4.004 ( 0.660 0.000 0.000) 0.660 4.004 ( 0.660 0.000 0.000) 0.660 4.328 ( 1.954 0.000 0.000) 1.954 4.328 ( 1.954 0.000 0.000) 1.954 5.072 ( -4.280 0.000 0.000) 4.280 5.072 ( -4.280 0.000 0.000) 4.280 7.764 ( -6.150 -0.000 -0.000) 6.150 7.764 ( -6.150 -0.000 0.000) 6.150 7.818 ( -7.937 0.000 -0.000) 7.937 7.818 ( -7.937 0.000 0.000) 7.937 8.598 ( 9.781 0.000 -0.000) 9.781 8.598 ( 9.781 0.000 0.000) 9.781 8.655 ( 6.324 0.000 -0.000) 6.324 8.655 ( 6.324 0.000 0.000) 6.324 9.165 ( -3.180 -0.000 0.000) 3.180 9.165 ( -3.180 0.000 0.000) 3.180 9.219 ( 0.710 -0.000 0.000) 0.710 9.219 ( 0.710 0.000 0.000) 0.710 11.886 ( 3.447 0.000 0.000) 3.447 11.886 ( 3.447 0.000 0.000) 3.447 12.704 ( -2.796 0.000 0.000) 2.796 12.704 ( -2.796 0.000 0.000) 2.796 13.830 ( 0.458 0.000 0.000) 0.458 13.830 ( 0.458 0.000 0.000) 0.458 14.055 ( -2.100 -0.000 0.000) 2.100 14.055 ( -2.100 -0.000 0.000) 2.100 18.758 ( 1.621 0.000 0.000) 1.621 18.758 ( 1.621 0.000 0.000) 1.621 19.223 ( -1.630 0.000 0.000) 1.630 19.223 ( -1.630 0.000 0.000) 1.630 20.259 ( -0.835 0.000 0.000) 0.835 20.259 ( -0.835 0.000 0.000) 0.835 20.860 ( -6.080 -0.000 0.000) 6.080 20.860 ( -6.080 0.000 0.000) 6.080 23.445 ( 2.688 0.000 0.000) 2.688 23.445 ( 2.688 0.000 0.000) 2.688 24.281 ( -4.353 0.000 0.000) 4.353 24.281 ( -4.353 0.000 0.000) 4.353 ======================= Grid point 314 (98/100) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 6.756 0.000 0.000) 6.756 0.908 ( 6.756 0.000 0.000) 6.756 1.271 ( 3.747 -0.000 -0.000) 3.747 1.271 ( 3.747 0.000 -0.000) 3.747 1.324 ( 4.179 -0.000 0.000) 4.179 1.324 ( 4.179 0.000 0.000) 4.179 1.349 ( 3.646 -0.000 0.000) 3.646 1.349 ( 3.646 0.000 0.000) 3.646 1.731 ( 1.047 -0.000 0.000) 1.047 1.731 ( 1.047 -0.000 0.000) 1.047 1.802 ( 1.248 0.000 0.000) 1.248 1.802 ( 1.248 0.000 0.000) 1.248 2.487 ( -5.669 -0.000 0.000) 5.669 2.487 ( -5.669 0.000 0.000) 5.669 2.549 ( -5.866 -0.000 0.000) 5.866 2.549 ( -5.866 0.000 0.000) 5.866 3.156 ( 2.190 -0.000 0.000) 2.190 3.156 ( 2.190 0.000 0.000) 2.190 3.456 ( -3.131 0.000 0.000) 3.131 3.456 ( -3.131 0.000 0.000) 3.131 3.671 ( 9.941 0.000 0.000) 9.941 3.671 ( 9.941 0.000 0.000) 9.941 4.016 ( 0.370 -0.000 0.000) 0.370 4.016 ( 0.370 0.000 0.000) 0.370 4.386 ( 3.792 0.000 0.000) 3.792 4.386 ( 3.792 0.000 0.000) 3.792 4.953 ( -7.120 0.000 0.000) 7.120 4.953 ( -7.120 0.000 0.000) 7.120 7.642 ( -5.228 -0.000 -0.000) 5.228 7.642 ( -5.228 0.000 -0.000) 5.228 7.662 ( -6.600 -0.000 0.000) 6.600 7.662 ( -6.600 0.000 0.000) 6.600 8.772 ( 4.610 -0.000 -0.000) 4.610 8.772 ( 4.610 0.000 0.000) 4.610 8.820 ( 11.047 0.000 -0.000) 11.047 8.820 ( 11.047 0.000 0.000) 11.047 9.081 ( -4.772 0.000 0.000) 4.772 9.081 ( -4.772 0.000 0.000) 4.772 9.236 ( 0.724 -0.000 0.000) 0.724 9.236 ( 0.724 0.000 0.000) 0.724 11.986 ( 6.222 0.000 0.000) 6.222 11.986 ( 6.222 0.000 0.000) 6.222 12.617 ( -5.736 -0.000 0.000) 5.736 12.617 ( -5.736 0.000 0.000) 5.736 13.846 ( 1.094 -0.000 0.000) 1.094 13.846 ( 1.094 0.000 0.000) 1.094 14.002 ( -2.826 -0.000 0.000) 2.826 14.002 ( -2.826 0.000 0.000) 2.826 18.808 ( 3.340 0.000 0.000) 3.340 18.808 ( 3.340 0.000 0.000) 3.340 19.174 ( -3.159 0.000 0.000) 3.159 19.174 ( -3.159 0.000 0.000) 3.159 20.244 ( -0.292 0.000 0.000) 0.292 20.244 ( -0.292 0.000 0.000) 0.292 20.696 ( -9.528 -0.000 0.000) 9.528 20.696 ( -9.528 0.000 0.000) 9.528 23.526 ( 5.166 0.000 0.000) 5.166 23.526 ( 5.166 0.000 0.000) 5.166 24.158 ( -7.435 0.000 0.000) 7.435 24.158 ( -7.435 0.000 0.000) 7.435 ======================= Grid point 318 (99/100) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 6.951 0.000 0.000) 6.951 1.048 ( 6.951 0.000 0.000) 6.951 1.272 ( -2.697 0.000 -0.000) 2.697 1.272 ( -2.697 -0.000 0.000) 2.697 1.436 ( 5.947 -0.000 0.000) 5.947 1.436 ( 5.947 0.000 0.000) 5.947 1.460 ( 5.291 -0.000 -0.000) 5.291 1.460 ( 5.291 0.000 -0.000) 5.291 1.769 ( 2.375 -0.000 0.000) 2.375 1.769 ( 2.375 -0.000 0.000) 2.375 1.809 ( -0.354 0.000 0.000) 0.354 1.809 ( -0.354 0.000 0.000) 0.354 2.365 ( -5.381 -0.000 0.000) 5.381 2.365 ( -5.381 0.000 0.000) 5.381 2.418 ( -6.492 -0.000 0.000) 6.492 2.418 ( -6.492 0.000 0.000) 6.492 3.216 ( 3.659 -0.000 0.000) 3.659 3.216 ( 3.659 0.000 0.000) 3.659 3.385 ( -3.899 -0.000 0.000) 3.899 3.385 ( -3.899 0.000 0.000) 3.899 3.856 ( 7.607 -0.000 0.000) 7.607 3.856 ( 7.607 0.000 0.000) 7.607 4.012 ( -0.966 0.000 0.000) 0.966 4.012 ( -0.966 0.000 0.000) 0.966 4.486 ( 6.105 -0.000 0.000) 6.105 4.486 ( 6.105 0.000 0.000) 6.105 4.795 ( -8.180 0.000 0.000) 8.180 4.795 ( -8.180 0.000 0.000) 8.180 7.563 ( -2.574 -0.000 -0.000) 2.574 7.563 ( -2.574 0.000 -0.000) 2.574 7.565 ( -2.955 -0.000 0.000) 2.955 7.565 ( -2.955 0.000 0.000) 2.955 8.842 ( 2.727 0.000 -0.000) 2.727 8.842 ( 2.727 0.000 0.000) 2.727 8.969 ( -2.610 0.000 0.000) 2.610 8.969 ( -2.610 0.000 0.000) 2.610 9.039 ( 6.835 0.000 0.000) 6.835 9.039 ( 6.835 0.000 0.000) 6.835 9.234 ( -1.315 -0.000 0.000) 1.315 9.234 ( -1.315 0.000 0.000) 1.315 12.132 ( 8.031 0.000 0.000) 8.031 12.132 ( 8.031 0.000 0.000) 8.031 12.476 ( -7.973 -0.000 0.000) 7.973 12.476 ( -7.973 0.000 0.000) 7.973 13.873 ( 1.533 -0.000 0.000) 1.533 13.873 ( 1.533 0.000 0.000) 1.533 13.949 ( -2.371 -0.000 0.000) 2.371 13.949 ( -2.371 0.000 0.000) 2.371 18.892 ( 4.789 0.000 0.000) 4.789 18.892 ( 4.789 -0.000 0.000) 4.789 19.096 ( -4.498 0.000 0.000) 4.498 19.096 ( -4.498 0.000 0.000) 4.498 20.260 ( 2.195 0.000 0.000) 2.195 20.260 ( 2.195 0.000 0.000) 2.195 20.500 ( -9.203 -0.000 0.000) 9.203 20.500 ( -9.203 0.000 0.000) 9.203 23.652 ( 7.215 0.000 0.000) 7.215 23.652 ( 7.215 0.000 0.000) 7.215 23.991 ( -8.763 0.000 0.000) 8.763 23.991 ( -8.763 0.000 0.000) 8.763 ======================= Grid point 322 (100/100) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -3.046 -4.142 0.000) 5.142 1.182 ( -3.046 -4.142 0.000) 5.142 1.182 ( 3.046 4.142 0.000) 5.142 1.182 ( 3.046 4.142 0.000) 5.142 1.514 ( -0.063 -3.748 0.000) 3.749 1.514 ( -0.063 -3.748 0.000) 3.749 1.514 ( 0.063 3.748 0.000) 3.749 1.514 ( 0.063 3.748 0.000) 3.749 1.800 ( -0.016 -8.376 0.000) 8.376 1.800 ( -0.016 -8.376 0.000) 8.376 1.800 ( 0.016 8.376 0.000) 8.376 1.800 ( 0.016 8.376 0.000) 8.376 2.322 ( -0.258 -6.645 0.000) 6.650 2.322 ( -0.258 -6.645 0.000) 6.650 2.322 ( 0.258 6.645 0.000) 6.650 2.322 ( 0.258 6.645 0.000) 6.650 3.299 ( -0.368 -25.648 0.000) 25.651 3.299 ( -0.368 -25.648 0.000) 25.651 3.299 ( 0.368 25.648 0.000) 25.651 3.299 ( 0.368 25.648 0.000) 25.651 3.969 ( -1.440 -3.732 0.000) 4.001 3.969 ( -1.440 -3.732 0.000) 4.001 3.969 ( 1.440 3.732 0.000) 4.001 3.969 ( 1.440 3.732 0.000) 4.001 4.630 ( -7.774 -0.126 0.000) 7.775 4.630 ( -7.774 -0.126 0.000) 7.775 4.630 ( 7.774 0.126 0.000) 7.775 4.630 ( 7.774 0.126 0.000) 7.775 7.537 ( -0.000 -0.816 0.000) 0.816 7.537 ( -0.000 -0.816 0.000) 0.816 7.537 ( 0.000 0.816 0.000) 0.816 7.537 ( 0.000 0.816 0.000) 0.816 8.898 ( -0.726 -6.263 0.000) 6.305 8.898 ( -0.726 -6.263 -0.000) 6.305 8.898 ( 0.726 6.263 0.000) 6.305 8.898 ( 0.726 6.263 0.000) 6.305 9.172 ( -1.753 -6.100 0.000) 6.346 9.172 ( -1.753 -6.100 0.000) 6.346 9.172 ( 1.753 6.100 0.000) 6.346 9.172 ( 1.753 6.100 0.000) 6.346 12.304 ( -3.074 -10.838 0.000) 11.265 12.304 ( -3.074 -10.838 0.000) 11.265 12.304 ( 3.074 10.838 0.000) 11.265 12.304 ( 3.074 10.838 0.000) 11.265 13.907 ( -0.155 -10.581 0.000) 10.582 13.907 ( -0.155 -10.581 0.000) 10.582 13.907 ( 0.155 10.581 0.000) 10.582 13.907 ( 0.155 10.581 0.000) 10.582 18.996 ( -2.344 -4.671 0.000) 5.226 18.996 ( -2.344 -4.671 0.000) 5.226 18.996 ( 2.344 4.671 0.000) 5.226 18.996 ( 2.344 4.671 0.000) 5.226 20.342 ( -4.317 -2.011 0.000) 4.762 20.342 ( -4.317 -2.011 0.000) 4.762 20.342 ( 4.317 2.011 0.000) 4.762 20.342 ( 4.317 2.011 0.000) 4.762 23.813 ( -7.037 -1.670 0.000) 7.232 23.813 ( -7.037 -1.670 0.000) 7.232 23.813 ( 7.037 1.670 0.000) 7.232 23.813 ( 7.037 1.670 0.000) 7.232 =================== 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 3/23040 10.0 32.797 25.681 23.146 0.000 0.000 -0.000 3/23040 20.0 12.467 11.620 8.686 0.000 0.000 -0.000 3/23040 30.0 7.025 6.975 5.028 0.000 0.000 -0.000 3/23040 40.0 4.878 4.958 3.485 0.000 0.000 -0.000 3/23040 50.0 3.796 3.877 2.672 0.000 0.000 -0.000 3/23040 60.0 3.149 3.207 2.178 0.000 0.000 -0.000 3/23040 70.0 2.712 2.749 1.847 0.000 0.000 -0.000 3/23040 80.0 2.394 2.416 1.609 0.000 0.000 -0.000 3/23040 90.0 2.148 2.162 1.428 0.000 0.000 -0.000 3/23040 100.0 1.952 1.961 1.287 0.000 0.000 -0.000 3/23040 110.0 1.790 1.798 1.173 0.000 0.000 -0.000 3/23040 120.0 1.655 1.664 1.078 0.000 0.000 -0.000 3/23040 130.0 1.539 1.550 0.999 0.000 0.000 -0.000 3/23040 140.0 1.440 1.453 0.932 0.000 0.000 -0.000 3/23040 150.0 1.353 1.368 0.874 0.000 0.000 -0.000 3/23040 160.0 1.278 1.295 0.823 0.000 0.000 -0.000 3/23040 170.0 1.211 1.229 0.779 0.000 0.000 -0.000 3/23040 180.0 1.151 1.171 0.740 0.000 0.000 -0.000 3/23040 190.0 1.097 1.119 0.705 0.000 0.000 -0.000 3/23040 200.0 1.049 1.071 0.674 0.000 0.000 0.000 3/23040 210.0 1.006 1.028 0.645 0.000 0.000 0.000 3/23040 220.0 0.966 0.989 0.620 0.000 0.000 0.000 3/23040 230.0 0.930 0.953 0.597 0.000 0.000 0.000 3/23040 240.0 0.896 0.919 0.575 0.000 0.000 0.000 3/23040 250.0 0.865 0.888 0.556 0.000 0.000 0.000 3/23040 260.0 0.837 0.859 0.537 0.000 0.000 0.000 3/23040 270.0 0.810 0.832 0.521 0.000 0.000 0.000 3/23040 280.0 0.786 0.806 0.505 0.000 0.000 0.000 3/23040 290.0 0.763 0.783 0.490 0.000 0.000 0.000 3/23040 300.0 0.741 0.760 0.476 0.000 0.000 0.000 3/23040 310.0 0.720 0.739 0.464 0.000 0.000 0.000 3/23040 320.0 0.701 0.719 0.451 0.000 0.000 0.000 3/23040 330.0 0.683 0.700 0.440 0.000 0.000 0.000 3/23040 340.0 0.666 0.682 0.429 0.000 0.000 0.000 3/23040 350.0 0.649 0.665 0.419 0.000 0.000 0.000 3/23040 360.0 0.634 0.649 0.409 0.000 0.000 0.000 3/23040 370.0 0.619 0.633 0.399 0.000 0.000 0.000 3/23040 380.0 0.605 0.618 0.390 0.000 0.000 0.000 3/23040 390.0 0.591 0.604 0.382 0.000 0.000 0.000 3/23040 400.0 0.579 0.591 0.374 0.000 0.000 0.000 3/23040 410.0 0.566 0.578 0.366 0.000 0.000 0.000 3/23040 420.0 0.554 0.566 0.359 0.000 0.000 0.000 3/23040 430.0 0.543 0.554 0.351 0.000 0.000 0.000 3/23040 440.0 0.532 0.542 0.344 0.000 0.000 0.000 3/23040 450.0 0.522 0.531 0.338 0.000 0.000 0.000 3/23040 460.0 0.512 0.521 0.331 0.000 0.000 0.000 3/23040 470.0 0.502 0.511 0.325 0.000 0.000 0.000 3/23040 480.0 0.493 0.501 0.319 0.000 0.000 0.000 3/23040 490.0 0.484 0.492 0.314 0.000 0.000 0.000 3/23040 500.0 0.475 0.483 0.308 0.000 0.000 0.000 3/23040 510.0 0.467 0.474 0.303 0.000 0.000 0.000 3/23040 520.0 0.459 0.465 0.298 0.000 0.000 0.000 3/23040 530.0 0.451 0.457 0.293 0.000 0.000 0.000 3/23040 540.0 0.444 0.449 0.288 0.000 0.000 0.000 3/23040 550.0 0.436 0.442 0.283 0.000 0.000 0.000 3/23040 560.0 0.429 0.435 0.279 0.000 0.000 0.000 3/23040 570.0 0.422 0.427 0.274 0.000 0.000 0.000 3/23040 580.0 0.416 0.421 0.270 0.000 0.000 0.000 3/23040 590.0 0.409 0.414 0.266 0.000 0.000 0.000 3/23040 600.0 0.403 0.407 0.262 0.000 0.000 0.000 3/23040 610.0 0.397 0.401 0.258 0.000 0.000 0.000 3/23040 620.0 0.391 0.395 0.254 0.000 0.000 0.000 3/23040 630.0 0.385 0.389 0.251 0.000 0.000 0.000 3/23040 640.0 0.380 0.383 0.247 0.000 0.000 0.000 3/23040 650.0 0.374 0.378 0.244 0.000 0.000 0.000 3/23040 660.0 0.369 0.372 0.240 0.000 0.000 0.000 3/23040 670.0 0.364 0.367 0.237 0.000 0.000 0.000 3/23040 680.0 0.359 0.362 0.234 0.000 0.000 0.000 3/23040 690.0 0.354 0.357 0.231 0.000 0.000 0.000 3/23040 700.0 0.350 0.352 0.228 0.000 0.000 0.000 3/23040 710.0 0.345 0.347 0.225 0.000 0.000 0.000 3/23040 720.0 0.341 0.343 0.222 0.000 0.000 0.000 3/23040 730.0 0.336 0.338 0.219 0.000 0.000 0.000 3/23040 740.0 0.332 0.334 0.216 0.000 0.000 0.000 3/23040 750.0 0.328 0.330 0.214 0.000 0.000 0.000 3/23040 760.0 0.324 0.326 0.211 0.000 0.000 0.000 3/23040 770.0 0.320 0.321 0.208 0.000 0.000 0.000 3/23040 780.0 0.316 0.317 0.206 0.000 0.000 0.000 3/23040 790.0 0.312 0.314 0.203 0.000 0.000 0.000 3/23040 800.0 0.309 0.310 0.201 0.000 0.000 0.000 3/23040 810.0 0.305 0.306 0.199 0.000 0.000 0.000 3/23040 820.0 0.301 0.303 0.197 0.000 0.000 0.000 3/23040 830.0 0.298 0.299 0.194 0.000 0.000 0.000 3/23040 840.0 0.295 0.296 0.192 0.000 0.000 0.000 3/23040 850.0 0.291 0.292 0.190 0.000 0.000 0.000 3/23040 860.0 0.288 0.289 0.188 0.000 0.000 0.000 3/23040 870.0 0.285 0.286 0.186 0.000 0.000 0.000 3/23040 880.0 0.282 0.283 0.184 0.000 0.000 0.000 3/23040 890.0 0.279 0.280 0.182 0.000 0.000 0.000 3/23040 900.0 0.276 0.277 0.180 0.000 0.000 0.000 3/23040 910.0 0.273 0.274 0.178 0.000 0.000 0.000 3/23040 920.0 0.270 0.271 0.176 0.000 0.000 0.000 3/23040 930.0 0.267 0.268 0.175 0.000 0.000 0.000 3/23040 940.0 0.265 0.265 0.173 0.000 0.000 0.000 3/23040 950.0 0.262 0.262 0.171 0.000 0.000 0.000 3/23040 960.0 0.259 0.260 0.169 0.000 0.000 0.000 3/23040 970.0 0.257 0.257 0.168 0.000 0.000 0.000 3/23040 980.0 0.254 0.255 0.166 0.000 0.000 0.000 3/23040 990.0 0.252 0.252 0.164 0.000 0.000 0.000 3/23040 1000.0 0.250 0.250 0.163 0.000 0.000 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m868.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:17:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|