----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:28:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.818826160000000 -4.244244455000000 0.000000000000000 b 2.818826160000000 4.244244455000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.230775440000000 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 2 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 *3 Se 0.64019645818714 0.35980354181286 0.25000000000000 78.960 4 Se 0.35980354181286 0.64019645818714 0.75000000000000 78.960 *5 O 0.28066942860243 0.23443052947620 0.25000000000000 15.999 6 O 0.23443052947620 0.28066942860243 0.75000000000000 15.999 *7 O 0.74000895583230 0.25999104416770 0.05437396450413 15.999 8 O 0.74000895583230 0.25999104416770 0.44562603549587 15.999 9 O 0.25999104416770 0.74000895583230 0.55437396450413 15.999 10 O 0.25999104416770 0.74000895583230 0.94562603549587 15.999 11 O 0.76556947052380 0.71933057139757 0.25000000000000 15.999 12 O 0.71933057139757 0.76556947052380 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.637652320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.488488909999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.230775440000000 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 2 3 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 1 4 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 2 *5 Se 0.50000000000000 0.85980354181286 0.25000000000000 78.960 > 3 6 Se 0.50000000000000 0.14019645818714 0.75000000000000 78.960 > 4 7 Se 0.00000000000000 0.35980354181286 0.25000000000000 78.960 > 3 8 Se 0.00000000000000 0.64019645818714 0.75000000000000 78.960 > 4 *9 O 0.25754997903931 0.97688055043689 0.25000000000000 15.999 > 5 10 O 0.25754997903931 0.02311944956311 0.75000000000000 15.999 > 6 *11 O 0.50000000000000 0.75999104416770 0.05437396450413 15.999 > 7 12 O 0.50000000000000 0.75999104416770 0.44562603549587 15.999 > 8 13 O 0.50000000000000 0.24000895583230 0.55437396450413 15.999 > 9 14 O 0.50000000000000 0.24000895583230 0.94562603549587 15.999 > 10 15 O 0.74245002096069 0.97688055043689 0.25000000000000 15.999 > 11 16 O 0.74245002096069 0.02311944956311 0.75000000000000 15.999 > 12 17 O 0.75754997903931 0.47688055043689 0.25000000000000 15.999 > 5 18 O 0.75754997903931 0.52311944956311 0.75000000000000 15.999 > 6 19 O 0.00000000000000 0.25999104416770 0.05437396450413 15.999 > 7 20 O 0.00000000000000 0.25999104416770 0.44562603549587 15.999 > 8 21 O 0.00000000000000 0.74000895583230 0.55437396450413 15.999 > 9 22 O 0.00000000000000 0.74000895583230 0.94562603549587 15.999 > 10 23 O 0.24245002096069 0.47688055043689 0.25000000000000 15.999 > 11 24 O 0.24245002096069 0.52311944956311 0.75000000000000 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.275304640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.488488909999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.461550880000001 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 1 3 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 4 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 1 5 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 2 6 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 2 7 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 2 8 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 2 9 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 1 10 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 1 11 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 1 12 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 1 13 Cd 0.25000000000000 0.50000000000000 0.25000000000000 112.411 > 2 14 Cd 0.75000000000000 0.50000000000000 0.25000000000000 112.411 > 2 15 Cd 0.25000000000000 0.50000000000000 0.75000000000000 112.411 > 2 16 Cd 0.75000000000000 0.50000000000000 0.75000000000000 112.411 > 2 *17 Se 0.25000000000000 0.85980354181286 0.12500000000000 78.960 > 3 18 Se 0.75000000000000 0.85980354181286 0.12500000000000 78.960 > 3 19 Se 0.25000000000000 0.85980354181286 0.62500000000000 78.960 > 3 20 Se 0.75000000000000 0.85980354181286 0.62500000000000 78.960 > 3 21 Se 0.25000000000000 0.14019645818714 0.37500000000000 78.960 > 4 22 Se 0.75000000000000 0.14019645818714 0.37500000000000 78.960 > 4 23 Se 0.25000000000000 0.14019645818714 0.87500000000000 78.960 > 4 24 Se 0.75000000000000 0.14019645818714 0.87500000000000 78.960 > 4 25 Se 0.00000000000000 0.35980354181286 0.12500000000000 78.960 > 3 26 Se 0.50000000000000 0.35980354181286 0.12500000000000 78.960 > 3 27 Se 0.00000000000000 0.35980354181286 0.62500000000000 78.960 > 3 28 Se 0.50000000000000 0.35980354181286 0.62500000000000 78.960 > 3 29 Se 0.00000000000000 0.64019645818714 0.37500000000000 78.960 > 4 30 Se 0.50000000000000 0.64019645818714 0.37500000000000 78.960 > 4 31 Se 0.00000000000000 0.64019645818714 0.87500000000000 78.960 > 4 32 Se 0.50000000000000 0.64019645818714 0.87500000000000 78.960 > 4 *33 O 0.12877498951966 0.97688055043689 0.12500000000000 15.999 > 5 34 O 0.62877498951966 0.97688055043689 0.12500000000000 15.999 > 5 35 O 0.12877498951966 0.97688055043689 0.62500000000000 15.999 > 5 36 O 0.62877498951966 0.97688055043689 0.62500000000000 15.999 > 5 37 O 0.12877498951966 0.02311944956311 0.37500000000000 15.999 > 6 38 O 0.62877498951966 0.02311944956311 0.37500000000000 15.999 > 6 39 O 0.12877498951966 0.02311944956311 0.87500000000000 15.999 > 6 40 O 0.62877498951966 0.02311944956311 0.87500000000000 15.999 > 6 *41 O 0.25000000000000 0.75999104416770 0.02718698225207 15.999 > 7 42 O 0.75000000000000 0.75999104416770 0.02718698225207 15.999 > 7 43 O 0.25000000000000 0.75999104416770 0.52718698225207 15.999 > 7 44 O 0.75000000000000 0.75999104416770 0.52718698225207 15.999 > 7 45 O 0.25000000000000 0.75999104416770 0.22281301774793 15.999 > 8 46 O 0.75000000000000 0.75999104416770 0.22281301774793 15.999 > 8 47 O 0.25000000000000 0.75999104416770 0.72281301774793 15.999 > 8 48 O 0.75000000000000 0.75999104416770 0.72281301774793 15.999 > 8 49 O 0.25000000000000 0.24000895583230 0.27718698225207 15.999 > 9 50 O 0.75000000000000 0.24000895583230 0.27718698225207 15.999 > 9 51 O 0.25000000000000 0.24000895583230 0.77718698225207 15.999 > 9 52 O 0.75000000000000 0.24000895583230 0.77718698225207 15.999 > 9 53 O 0.25000000000000 0.24000895583230 0.47281301774793 15.999 > 10 54 O 0.75000000000000 0.24000895583230 0.47281301774793 15.999 > 10 55 O 0.25000000000000 0.24000895583230 0.97281301774793 15.999 > 10 56 O 0.75000000000000 0.24000895583230 0.97281301774793 15.999 > 10 57 O 0.37122501048034 0.97688055043689 0.12500000000000 15.999 > 11 58 O 0.87122501048034 0.97688055043689 0.12500000000000 15.999 > 11 59 O 0.37122501048034 0.97688055043689 0.62500000000000 15.999 > 11 60 O 0.87122501048034 0.97688055043689 0.62500000000000 15.999 > 11 61 O 0.37122501048034 0.02311944956311 0.37500000000000 15.999 > 12 62 O 0.87122501048034 0.02311944956311 0.37500000000000 15.999 > 12 63 O 0.37122501048034 0.02311944956311 0.87500000000000 15.999 > 12 64 O 0.87122501048034 0.02311944956311 0.87500000000000 15.999 > 12 65 O 0.37877498951966 0.47688055043689 0.12500000000000 15.999 > 5 66 O 0.87877498951966 0.47688055043689 0.12500000000000 15.999 > 5 67 O 0.37877498951966 0.47688055043689 0.62500000000000 15.999 > 5 68 O 0.87877498951966 0.47688055043689 0.62500000000000 15.999 > 5 69 O 0.37877498951966 0.52311944956311 0.37500000000000 15.999 > 6 70 O 0.87877498951966 0.52311944956311 0.37500000000000 15.999 > 6 71 O 0.37877498951966 0.52311944956311 0.87500000000000 15.999 > 6 72 O 0.87877498951966 0.52311944956311 0.87500000000000 15.999 > 6 73 O 0.00000000000000 0.25999104416770 0.02718698225207 15.999 > 7 74 O 0.50000000000000 0.25999104416770 0.02718698225207 15.999 > 7 75 O 0.00000000000000 0.25999104416770 0.52718698225207 15.999 > 7 76 O 0.50000000000000 0.25999104416770 0.52718698225207 15.999 > 7 77 O 0.00000000000000 0.25999104416770 0.22281301774793 15.999 > 8 78 O 0.50000000000000 0.25999104416770 0.22281301774793 15.999 > 8 79 O 0.00000000000000 0.25999104416770 0.72281301774793 15.999 > 8 80 O 0.50000000000000 0.25999104416770 0.72281301774793 15.999 > 8 81 O 0.00000000000000 0.74000895583230 0.27718698225207 15.999 > 9 82 O 0.50000000000000 0.74000895583230 0.27718698225207 15.999 > 9 83 O 0.00000000000000 0.74000895583230 0.77718698225207 15.999 > 9 84 O 0.50000000000000 0.74000895583230 0.77718698225207 15.999 > 9 85 O 0.00000000000000 0.74000895583230 0.47281301774793 15.999 > 10 86 O 0.50000000000000 0.74000895583230 0.47281301774793 15.999 > 10 87 O 0.00000000000000 0.74000895583230 0.97281301774793 15.999 > 10 88 O 0.50000000000000 0.74000895583230 0.97281301774793 15.999 > 10 89 O 0.12122501048034 0.47688055043689 0.12500000000000 15.999 > 11 90 O 0.62122501048034 0.47688055043689 0.12500000000000 15.999 > 11 91 O 0.12122501048034 0.47688055043689 0.62500000000000 15.999 > 11 92 O 0.62122501048034 0.47688055043689 0.62500000000000 15.999 > 11 93 O 0.12122501048034 0.52311944956311 0.37500000000000 15.999 > 12 94 O 0.62122501048034 0.52311944956311 0.37500000000000 15.999 > 12 95 O 0.12122501048034 0.52311944956311 0.87500000000000 15.999 > 12 96 O 0.62122501048034 0.52311944956311 0.87500000000000 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6550774 0.0000000 0.0000000 0.0000000 3.4765419 0.0000000 0.0000000 0.0000000 3.4139378 -------------------------- Born effective charges -------------------------- 1 Cd 2.6793902 0.0000000 0.0000000 0.0000000 2.6274456 -0.4929456 0.0000000 0.4404371 2.5933114 2 Cd 2.6793902 0.0000000 0.0000000 0.0000000 2.6274456 0.4929456 0.0000000 -0.4404371 2.5933114 3 Se 3.9265579 0.0000000 0.0000000 0.0000000 3.4060913 0.0000000 0.0000000 0.0000000 3.1365329 4 Se 3.9265579 0.0000000 0.0000000 0.0000000 3.4060913 0.0000000 0.0000000 0.0000000 3.1365329 5 O -2.3905967 0.8159860 0.0000000 0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 6 O -2.3905967 -0.8159860 0.0000000 -0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 7 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 -0.6656860 0.0000000 -0.5934348 -1.5372972 8 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 0.6656860 0.0000000 0.5934348 -1.5372972 9 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 0.6656860 0.0000000 0.5934348 -1.5372972 10 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 -0.6656860 0.0000000 -0.5934348 -1.5372972 11 O -2.3905967 -0.8159860 0.0000000 -0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 12 O -2.3905967 0.8159860 0.0000000 0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.605 Solver_block: 200 / 240 - Time: 0.594 Solver_block: 240 / 240 - Time: 0.297 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.510 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:28:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:28:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.818826160000000 -4.244244455000000 0.000000000000000 b 2.818826160000000 4.244244455000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.230775440000000 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 2 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 3 Se 0.64019645818714 0.35980354181286 0.25000000000000 78.960 4 Se 0.35980354181286 0.64019645818714 0.75000000000000 78.960 5 O 0.28066942860243 0.23443052947620 0.25000000000000 15.999 6 O 0.23443052947620 0.28066942860243 0.75000000000000 15.999 7 O 0.74000895583230 0.25999104416770 0.05437396450413 15.999 8 O 0.74000895583230 0.25999104416770 0.44562603549587 15.999 9 O 0.25999104416770 0.74000895583230 0.55437396450413 15.999 10 O 0.25999104416770 0.74000895583230 0.94562603549587 15.999 11 O 0.76556947052380 0.71933057139757 0.25000000000000 15.999 12 O 0.71933057139757 0.76556947052380 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.275304640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.488488909999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.461550880000001 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 1 3 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 4 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 1 5 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 5 6 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 5 7 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 5 8 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 5 9 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 1 10 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 1 11 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 1 12 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 1 13 Cd 0.25000000000000 0.50000000000000 0.25000000000000 112.411 > 5 14 Cd 0.75000000000000 0.50000000000000 0.25000000000000 112.411 > 5 15 Cd 0.25000000000000 0.50000000000000 0.75000000000000 112.411 > 5 16 Cd 0.75000000000000 0.50000000000000 0.75000000000000 112.411 > 5 17 Se 0.25000000000000 0.85980354181286 0.12500000000000 78.960 > 17 18 Se 0.75000000000000 0.85980354181286 0.12500000000000 78.960 > 17 19 Se 0.25000000000000 0.85980354181286 0.62500000000000 78.960 > 17 20 Se 0.75000000000000 0.85980354181286 0.62500000000000 78.960 > 17 21 Se 0.25000000000000 0.14019645818714 0.37500000000000 78.960 > 21 22 Se 0.75000000000000 0.14019645818714 0.37500000000000 78.960 > 21 23 Se 0.25000000000000 0.14019645818714 0.87500000000000 78.960 > 21 24 Se 0.75000000000000 0.14019645818714 0.87500000000000 78.960 > 21 25 Se 0.00000000000000 0.35980354181286 0.12500000000000 78.960 > 17 26 Se 0.50000000000000 0.35980354181286 0.12500000000000 78.960 > 17 27 Se 0.00000000000000 0.35980354181286 0.62500000000000 78.960 > 17 28 Se 0.50000000000000 0.35980354181286 0.62500000000000 78.960 > 17 29 Se 0.00000000000000 0.64019645818714 0.37500000000000 78.960 > 21 30 Se 0.50000000000000 0.64019645818714 0.37500000000000 78.960 > 21 31 Se 0.00000000000000 0.64019645818714 0.87500000000000 78.960 > 21 32 Se 0.50000000000000 0.64019645818714 0.87500000000000 78.960 > 21 33 O 0.12877498951966 0.97688055043689 0.12500000000000 15.999 > 33 34 O 0.62877498951966 0.97688055043689 0.12500000000000 15.999 > 33 35 O 0.12877498951966 0.97688055043689 0.62500000000000 15.999 > 33 36 O 0.62877498951966 0.97688055043689 0.62500000000000 15.999 > 33 37 O 0.12877498951966 0.02311944956311 0.37500000000000 15.999 > 37 38 O 0.62877498951966 0.02311944956311 0.37500000000000 15.999 > 37 39 O 0.12877498951966 0.02311944956311 0.87500000000000 15.999 > 37 40 O 0.62877498951966 0.02311944956311 0.87500000000000 15.999 > 37 41 O 0.25000000000000 0.75999104416770 0.02718698225207 15.999 > 41 42 O 0.75000000000000 0.75999104416770 0.02718698225207 15.999 > 41 43 O 0.25000000000000 0.75999104416770 0.52718698225207 15.999 > 41 44 O 0.75000000000000 0.75999104416770 0.52718698225207 15.999 > 41 45 O 0.25000000000000 0.75999104416770 0.22281301774793 15.999 > 45 46 O 0.75000000000000 0.75999104416770 0.22281301774793 15.999 > 45 47 O 0.25000000000000 0.75999104416770 0.72281301774793 15.999 > 45 48 O 0.75000000000000 0.75999104416770 0.72281301774793 15.999 > 45 49 O 0.25000000000000 0.24000895583230 0.27718698225207 15.999 > 49 50 O 0.75000000000000 0.24000895583230 0.27718698225207 15.999 > 49 51 O 0.25000000000000 0.24000895583230 0.77718698225207 15.999 > 49 52 O 0.75000000000000 0.24000895583230 0.77718698225207 15.999 > 49 53 O 0.25000000000000 0.24000895583230 0.47281301774793 15.999 > 53 54 O 0.75000000000000 0.24000895583230 0.47281301774793 15.999 > 53 55 O 0.25000000000000 0.24000895583230 0.97281301774793 15.999 > 53 56 O 0.75000000000000 0.24000895583230 0.97281301774793 15.999 > 53 57 O 0.37122501048034 0.97688055043689 0.12500000000000 15.999 > 57 58 O 0.87122501048034 0.97688055043689 0.12500000000000 15.999 > 57 59 O 0.37122501048034 0.97688055043689 0.62500000000000 15.999 > 57 60 O 0.87122501048034 0.97688055043689 0.62500000000000 15.999 > 57 61 O 0.37122501048034 0.02311944956311 0.37500000000000 15.999 > 61 62 O 0.87122501048034 0.02311944956311 0.37500000000000 15.999 > 61 63 O 0.37122501048034 0.02311944956311 0.87500000000000 15.999 > 61 64 O 0.87122501048034 0.02311944956311 0.87500000000000 15.999 > 61 65 O 0.37877498951966 0.47688055043689 0.12500000000000 15.999 > 33 66 O 0.87877498951966 0.47688055043689 0.12500000000000 15.999 > 33 67 O 0.37877498951966 0.47688055043689 0.62500000000000 15.999 > 33 68 O 0.87877498951966 0.47688055043689 0.62500000000000 15.999 > 33 69 O 0.37877498951966 0.52311944956311 0.37500000000000 15.999 > 37 70 O 0.87877498951966 0.52311944956311 0.37500000000000 15.999 > 37 71 O 0.37877498951966 0.52311944956311 0.87500000000000 15.999 > 37 72 O 0.87877498951966 0.52311944956311 0.87500000000000 15.999 > 37 73 O 0.00000000000000 0.25999104416770 0.02718698225207 15.999 > 41 74 O 0.50000000000000 0.25999104416770 0.02718698225207 15.999 > 41 75 O 0.00000000000000 0.25999104416770 0.52718698225207 15.999 > 41 76 O 0.50000000000000 0.25999104416770 0.52718698225207 15.999 > 41 77 O 0.00000000000000 0.25999104416770 0.22281301774793 15.999 > 45 78 O 0.50000000000000 0.25999104416770 0.22281301774793 15.999 > 45 79 O 0.00000000000000 0.25999104416770 0.72281301774793 15.999 > 45 80 O 0.50000000000000 0.25999104416770 0.72281301774793 15.999 > 45 81 O 0.00000000000000 0.74000895583230 0.27718698225207 15.999 > 49 82 O 0.50000000000000 0.74000895583230 0.27718698225207 15.999 > 49 83 O 0.00000000000000 0.74000895583230 0.77718698225207 15.999 > 49 84 O 0.50000000000000 0.74000895583230 0.77718698225207 15.999 > 49 85 O 0.00000000000000 0.74000895583230 0.47281301774793 15.999 > 53 86 O 0.50000000000000 0.74000895583230 0.47281301774793 15.999 > 53 87 O 0.00000000000000 0.74000895583230 0.97281301774793 15.999 > 53 88 O 0.50000000000000 0.74000895583230 0.97281301774793 15.999 > 53 89 O 0.12122501048034 0.47688055043689 0.12500000000000 15.999 > 57 90 O 0.62122501048034 0.47688055043689 0.12500000000000 15.999 > 57 91 O 0.12122501048034 0.47688055043689 0.62500000000000 15.999 > 57 92 O 0.62122501048034 0.47688055043689 0.62500000000000 15.999 > 57 93 O 0.12122501048034 0.52311944956311 0.37500000000000 15.999 > 61 94 O 0.62122501048034 0.52311944956311 0.37500000000000 15.999 > 61 95 O 0.12122501048034 0.52311944956311 0.87500000000000 15.999 > 61 96 O 0.62122501048034 0.52311944956311 0.87500000000000 15.999 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6550774 0.0000000 0.0000000 0.0000000 3.4765419 0.0000000 0.0000000 0.0000000 3.4139378 -------------------------- Born effective charges -------------------------- 1 Cd 2.6793902 0.0000000 0.0000000 0.0000000 2.6274456 -0.4929456 0.0000000 0.4404371 2.5933114 2 Cd 2.6793902 0.0000000 0.0000000 0.0000000 2.6274456 0.4929456 0.0000000 -0.4404371 2.5933114 3 Se 3.9265579 0.0000000 0.0000000 0.0000000 3.4060913 0.0000000 0.0000000 0.0000000 3.1365329 4 Se 3.9265579 0.0000000 0.0000000 0.0000000 3.4060913 0.0000000 0.0000000 0.0000000 3.1365329 5 O -2.3905967 0.8159860 0.0000000 0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 6 O -2.3905967 -0.8159860 0.0000000 -0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 7 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 -0.6656860 0.0000000 -0.5934348 -1.5372972 8 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 0.6656860 0.0000000 0.5934348 -1.5372972 9 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 0.6656860 0.0000000 0.5934348 -1.5372972 10 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 -0.6656860 0.0000000 -0.5934348 -1.5372972 11 O -2.3905967 -0.8159860 0.0000000 -0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 12 O -2.3905967 0.8159860 0.0000000 0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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 (zyz) -0.00000014 (zyz) -0.00000014 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (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 2026-01-09 00:28:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:28:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.818826160000000 -4.244244455000000 0.000000000000000 b 2.818826160000000 4.244244455000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.230775440000000 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 2 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 3 Se 0.64019645818714 0.35980354181286 0.25000000000000 78.960 4 Se 0.35980354181286 0.64019645818714 0.75000000000000 78.960 5 O 0.28066942860243 0.23443052947620 0.25000000000000 15.999 6 O 0.23443052947620 0.28066942860243 0.75000000000000 15.999 7 O 0.74000895583230 0.25999104416770 0.05437396450413 15.999 8 O 0.74000895583230 0.25999104416770 0.44562603549587 15.999 9 O 0.25999104416770 0.74000895583230 0.55437396450413 15.999 10 O 0.25999104416770 0.74000895583230 0.94562603549587 15.999 11 O 0.76556947052380 0.71933057139757 0.25000000000000 15.999 12 O 0.71933057139757 0.76556947052380 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.275304640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.488488909999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.461550880000001 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 1 2 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 1 3 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 4 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 1 5 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 5 6 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 5 7 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 5 8 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 5 9 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 1 10 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 1 11 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 1 12 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 1 13 Cd 0.25000000000000 0.50000000000000 0.25000000000000 112.411 > 5 14 Cd 0.75000000000000 0.50000000000000 0.25000000000000 112.411 > 5 15 Cd 0.25000000000000 0.50000000000000 0.75000000000000 112.411 > 5 16 Cd 0.75000000000000 0.50000000000000 0.75000000000000 112.411 > 5 17 Se 0.25000000000000 0.85980354181286 0.12500000000000 78.960 > 17 18 Se 0.75000000000000 0.85980354181286 0.12500000000000 78.960 > 17 19 Se 0.25000000000000 0.85980354181286 0.62500000000000 78.960 > 17 20 Se 0.75000000000000 0.85980354181286 0.62500000000000 78.960 > 17 21 Se 0.25000000000000 0.14019645818714 0.37500000000000 78.960 > 21 22 Se 0.75000000000000 0.14019645818714 0.37500000000000 78.960 > 21 23 Se 0.25000000000000 0.14019645818714 0.87500000000000 78.960 > 21 24 Se 0.75000000000000 0.14019645818714 0.87500000000000 78.960 > 21 25 Se 0.00000000000000 0.35980354181286 0.12500000000000 78.960 > 17 26 Se 0.50000000000000 0.35980354181286 0.12500000000000 78.960 > 17 27 Se 0.00000000000000 0.35980354181286 0.62500000000000 78.960 > 17 28 Se 0.50000000000000 0.35980354181286 0.62500000000000 78.960 > 17 29 Se 0.00000000000000 0.64019645818714 0.37500000000000 78.960 > 21 30 Se 0.50000000000000 0.64019645818714 0.37500000000000 78.960 > 21 31 Se 0.00000000000000 0.64019645818714 0.87500000000000 78.960 > 21 32 Se 0.50000000000000 0.64019645818714 0.87500000000000 78.960 > 21 33 O 0.12877498951966 0.97688055043689 0.12500000000000 15.999 > 33 34 O 0.62877498951966 0.97688055043689 0.12500000000000 15.999 > 33 35 O 0.12877498951966 0.97688055043689 0.62500000000000 15.999 > 33 36 O 0.62877498951966 0.97688055043689 0.62500000000000 15.999 > 33 37 O 0.12877498951966 0.02311944956311 0.37500000000000 15.999 > 37 38 O 0.62877498951966 0.02311944956311 0.37500000000000 15.999 > 37 39 O 0.12877498951966 0.02311944956311 0.87500000000000 15.999 > 37 40 O 0.62877498951966 0.02311944956311 0.87500000000000 15.999 > 37 41 O 0.25000000000000 0.75999104416770 0.02718698225207 15.999 > 41 42 O 0.75000000000000 0.75999104416770 0.02718698225207 15.999 > 41 43 O 0.25000000000000 0.75999104416770 0.52718698225207 15.999 > 41 44 O 0.75000000000000 0.75999104416770 0.52718698225207 15.999 > 41 45 O 0.25000000000000 0.75999104416770 0.22281301774793 15.999 > 45 46 O 0.75000000000000 0.75999104416770 0.22281301774793 15.999 > 45 47 O 0.25000000000000 0.75999104416770 0.72281301774793 15.999 > 45 48 O 0.75000000000000 0.75999104416770 0.72281301774793 15.999 > 45 49 O 0.25000000000000 0.24000895583230 0.27718698225207 15.999 > 49 50 O 0.75000000000000 0.24000895583230 0.27718698225207 15.999 > 49 51 O 0.25000000000000 0.24000895583230 0.77718698225207 15.999 > 49 52 O 0.75000000000000 0.24000895583230 0.77718698225207 15.999 > 49 53 O 0.25000000000000 0.24000895583230 0.47281301774793 15.999 > 53 54 O 0.75000000000000 0.24000895583230 0.47281301774793 15.999 > 53 55 O 0.25000000000000 0.24000895583230 0.97281301774793 15.999 > 53 56 O 0.75000000000000 0.24000895583230 0.97281301774793 15.999 > 53 57 O 0.37122501048034 0.97688055043689 0.12500000000000 15.999 > 57 58 O 0.87122501048034 0.97688055043689 0.12500000000000 15.999 > 57 59 O 0.37122501048034 0.97688055043689 0.62500000000000 15.999 > 57 60 O 0.87122501048034 0.97688055043689 0.62500000000000 15.999 > 57 61 O 0.37122501048034 0.02311944956311 0.37500000000000 15.999 > 61 62 O 0.87122501048034 0.02311944956311 0.37500000000000 15.999 > 61 63 O 0.37122501048034 0.02311944956311 0.87500000000000 15.999 > 61 64 O 0.87122501048034 0.02311944956311 0.87500000000000 15.999 > 61 65 O 0.37877498951966 0.47688055043689 0.12500000000000 15.999 > 33 66 O 0.87877498951966 0.47688055043689 0.12500000000000 15.999 > 33 67 O 0.37877498951966 0.47688055043689 0.62500000000000 15.999 > 33 68 O 0.87877498951966 0.47688055043689 0.62500000000000 15.999 > 33 69 O 0.37877498951966 0.52311944956311 0.37500000000000 15.999 > 37 70 O 0.87877498951966 0.52311944956311 0.37500000000000 15.999 > 37 71 O 0.37877498951966 0.52311944956311 0.87500000000000 15.999 > 37 72 O 0.87877498951966 0.52311944956311 0.87500000000000 15.999 > 37 73 O 0.00000000000000 0.25999104416770 0.02718698225207 15.999 > 41 74 O 0.50000000000000 0.25999104416770 0.02718698225207 15.999 > 41 75 O 0.00000000000000 0.25999104416770 0.52718698225207 15.999 > 41 76 O 0.50000000000000 0.25999104416770 0.52718698225207 15.999 > 41 77 O 0.00000000000000 0.25999104416770 0.22281301774793 15.999 > 45 78 O 0.50000000000000 0.25999104416770 0.22281301774793 15.999 > 45 79 O 0.00000000000000 0.25999104416770 0.72281301774793 15.999 > 45 80 O 0.50000000000000 0.25999104416770 0.72281301774793 15.999 > 45 81 O 0.00000000000000 0.74000895583230 0.27718698225207 15.999 > 49 82 O 0.50000000000000 0.74000895583230 0.27718698225207 15.999 > 49 83 O 0.00000000000000 0.74000895583230 0.77718698225207 15.999 > 49 84 O 0.50000000000000 0.74000895583230 0.77718698225207 15.999 > 49 85 O 0.00000000000000 0.74000895583230 0.47281301774793 15.999 > 53 86 O 0.50000000000000 0.74000895583230 0.47281301774793 15.999 > 53 87 O 0.00000000000000 0.74000895583230 0.97281301774793 15.999 > 53 88 O 0.50000000000000 0.74000895583230 0.97281301774793 15.999 > 53 89 O 0.12122501048034 0.47688055043689 0.12500000000000 15.999 > 57 90 O 0.62122501048034 0.47688055043689 0.12500000000000 15.999 > 57 91 O 0.12122501048034 0.47688055043689 0.62500000000000 15.999 > 57 92 O 0.62122501048034 0.47688055043689 0.62500000000000 15.999 > 57 93 O 0.12122501048034 0.52311944956311 0.37500000000000 15.999 > 61 94 O 0.62122501048034 0.52311944956311 0.37500000000000 15.999 > 61 95 O 0.12122501048034 0.52311944956311 0.87500000000000 15.999 > 61 96 O 0.62122501048034 0.52311944956311 0.87500000000000 15.999 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6550774 0.0000000 0.0000000 0.0000000 3.4765419 0.0000000 0.0000000 0.0000000 3.4139378 -------------------------- Born effective charges -------------------------- 1 Cd 2.6793902 0.0000000 0.0000000 0.0000000 2.6274456 -0.4929456 0.0000000 0.4404371 2.5933114 2 Cd 2.6793902 0.0000000 0.0000000 0.0000000 2.6274456 0.4929456 0.0000000 -0.4404371 2.5933114 3 Se 3.9265579 0.0000000 0.0000000 0.0000000 3.4060913 0.0000000 0.0000000 0.0000000 3.1365329 4 Se 3.9265579 0.0000000 0.0000000 0.0000000 3.4060913 0.0000000 0.0000000 0.0000000 3.1365329 5 O -2.3905967 0.8159860 0.0000000 0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 6 O -2.3905967 -0.8159860 0.0000000 -0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 7 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 -0.6656860 0.0000000 -0.5934348 -1.5372972 8 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 0.6656860 0.0000000 0.5934348 -1.5372972 9 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 0.6656860 0.0000000 0.5934348 -1.5372972 10 O -0.9123773 0.0000000 0.0000000 0.0000000 -1.7384540 -0.6656860 0.0000000 -0.5934348 -1.5372972 11 O -2.3905967 -0.8159860 0.0000000 -0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 12 O -2.3905967 0.8159860 0.0000000 0.7814327 -1.2783145 0.0000000 0.0000000 0.0000000 -1.3276249 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000014 (zyz) -0.00000014 (zyz) -0.00000014 (zzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 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 1.501 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 9.137 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.359 ( 0.000 0.000 0.000) 0.000 10.520 ( 0.000 0.000 0.000) 0.000 10.971 ( 0.000 0.000 0.000) 0.000 11.136 ( 0.000 0.000 0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 13.233 ( 0.000 0.000 0.000) 0.000 14.170 ( 0.000 0.000 0.000) 0.000 21.869 ( 0.000 0.000 0.000) 0.000 22.337 ( 0.000 0.000 0.000) 0.000 23.033 ( 0.000 0.000 0.000) 0.000 23.244 ( 0.000 0.000 0.000) 0.000 25.196 ( 0.000 0.000 0.000) 0.000 25.442 ( 0.000 0.000 0.000) 0.000 26.048 ( 0.000 0.000 0.000) 0.000 26.854 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 13.870 -8.340 0.000) 16.184 0.494 ( 22.291 -11.055 0.000) 24.882 0.846 ( 48.168 -5.620 0.000) 48.494 1.645 ( 4.475 -1.192 0.000) 4.631 2.180 ( 30.971 20.283 0.000) 37.022 2.505 ( -0.510 3.357 0.000) 3.396 2.850 ( -1.170 -3.655 0.000) 3.838 3.610 ( -7.566 0.960 0.000) 7.627 3.750 ( 2.776 1.039 0.000) 2.964 3.845 ( 2.051 -5.229 0.000) 5.617 4.092 ( -11.734 -3.148 0.000) 12.149 4.668 ( 5.547 3.722 0.000) 6.681 4.705 ( 11.889 -3.091 0.000) 12.285 5.530 ( 9.996 12.638 0.000) 16.113 6.178 ( 8.048 18.931 0.000) 20.571 6.282 ( -0.166 -0.130 0.000) 0.211 8.248 ( -7.087 3.820 0.000) 8.051 8.422 ( -6.773 4.441 0.000) 8.099 9.132 ( -1.599 -1.536 0.000) 2.217 10.003 ( -3.442 1.556 0.000) 3.778 10.354 ( 10.500 14.280 0.000) 17.724 10.372 ( 4.150 3.886 0.000) 5.685 10.567 ( 6.037 0.819 0.000) 6.092 11.126 ( -2.764 -2.131 0.000) 3.490 11.372 ( 3.817 -0.908 0.000) 3.923 11.404 ( -24.614 -39.770 0.000) 46.771 13.224 ( -0.945 0.057 0.000) 0.947 14.164 ( -1.515 -1.219 0.000) 1.944 21.935 ( 7.514 -0.655 0.000) 7.542 23.009 ( 3.161 7.583 0.000) 8.215 23.096 ( 15.505 18.743 0.000) 24.325 24.314 ( 32.638 53.297 0.000) 62.496 25.216 ( 1.965 -0.551 0.000) 2.041 26.055 ( 1.161 0.416 0.000) 1.233 26.221 ( -33.879 -53.874 0.000) 63.641 26.830 ( -2.507 0.662 0.000) 2.593 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 13.790 -8.907 0.000) 16.417 0.943 ( 20.935 -7.165 0.000) 22.127 1.664 ( 44.572 -7.110 0.000) 45.135 1.736 ( 3.466 -1.553 0.000) 3.798 2.445 ( -0.898 5.372 0.000) 5.446 2.555 ( 32.631 8.157 0.000) 33.636 2.897 ( 0.848 -6.687 0.000) 6.741 3.417 ( -13.799 2.060 0.000) 13.952 3.716 ( -4.154 4.289 0.000) 5.971 3.843 ( -11.040 -3.047 0.000) 11.453 4.063 ( 2.773 -9.308 0.000) 9.712 4.750 ( 10.757 5.367 0.000) 12.021 4.978 ( 18.490 -0.110 0.000) 18.490 5.591 ( 9.417 4.012 0.000) 10.236 6.071 ( -1.111 11.466 0.000) 11.520 6.269 ( -1.732 0.263 0.000) 1.752 8.009 ( -13.325 9.193 0.000) 16.189 8.244 ( -8.453 4.150 0.000) 9.417 9.122 ( -2.475 -3.116 0.000) 3.980 9.902 ( -5.786 2.912 0.000) 6.477 10.377 ( 3.381 2.515 0.000) 4.214 10.409 ( 5.705 4.127 0.000) 7.041 10.684 ( 9.471 1.398 0.000) 9.573 11.094 ( -4.350 -2.852 0.000) 5.202 11.441 ( -9.676 -18.458 0.000) 20.840 11.461 ( 5.407 -0.840 0.000) 5.472 13.202 ( -1.777 0.016 0.000) 1.777 14.150 ( -2.393 -2.034 0.000) 3.141 22.106 ( 12.163 -0.473 0.000) 12.173 22.979 ( 0.021 2.875 0.000) 2.875 23.154 ( 7.761 5.438 0.000) 9.476 24.256 ( 12.866 25.637 0.000) 28.684 25.262 ( 2.475 -1.068 0.000) 2.695 26.077 ( 2.354 0.644 0.000) 2.440 26.264 ( -13.817 -25.816 0.000) 29.281 26.762 ( -4.587 1.154 0.000) 4.730 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 12.650 -8.002 0.000) 14.969 1.305 ( 16.836 -1.372 0.000) 16.891 1.753 ( -1.302 0.771 0.000) 1.513 2.373 ( -0.930 4.697 0.000) 4.788 2.422 ( 38.796 -7.887 0.000) 39.589 3.002 ( 29.993 4.792 0.000) 30.374 3.036 ( 5.645 -9.062 0.000) 10.676 3.145 ( -16.654 1.482 0.000) 16.720 3.525 ( -12.310 3.255 0.000) 12.733 3.711 ( -6.985 0.246 0.000) 6.989 4.217 ( 1.496 -10.370 0.000) 10.478 4.897 ( 14.412 5.378 0.000) 15.383 5.240 ( 10.941 -1.522 0.000) 11.046 5.772 ( 17.813 3.101 0.000) 18.081 5.905 ( -5.482 8.906 0.000) 10.458 6.206 ( -5.501 1.283 0.000) 5.649 7.662 ( -14.632 11.154 0.000) 18.399 8.077 ( -7.362 2.734 0.000) 7.853 9.123 ( -2.381 -4.483 0.000) 5.077 9.762 ( -7.044 3.537 0.000) 7.882 10.408 ( 1.992 -0.261 0.000) 2.009 10.463 ( 5.347 2.798 0.000) 6.034 10.827 ( 9.756 1.512 0.000) 9.873 11.051 ( -4.452 -2.556 0.000) 5.134 11.480 ( -4.945 -10.690 0.000) 11.779 11.550 ( 4.764 -0.161 0.000) 4.767 13.169 ( -2.230 -0.088 0.000) 2.232 14.133 ( -2.379 -2.192 0.000) 3.235 22.312 ( 12.576 0.503 0.000) 12.586 22.949 ( -1.373 0.634 0.000) 1.512 23.228 ( 5.132 0.302 0.000) 5.141 24.187 ( 6.161 15.711 0.000) 16.876 25.312 ( 1.883 -1.322 0.000) 2.301 26.118 ( 3.520 0.581 0.000) 3.568 26.323 ( -6.365 -15.235 0.000) 16.511 26.662 ( -5.905 1.352 0.000) 6.058 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 9.036 -5.125 0.000) 10.388 1.383 ( -4.328 7.104 0.000) 8.319 1.822 ( 13.087 0.265 0.000) 13.090 2.323 ( -0.849 1.612 0.000) 1.822 2.857 ( -16.838 0.466 0.000) 16.844 3.047 ( 27.821 -4.837 0.000) 28.238 3.255 ( 7.300 -9.269 0.000) 11.799 3.300 ( -5.269 3.864 0.000) 6.534 3.396 ( 17.756 0.774 0.000) 17.773 3.615 ( -4.140 -1.101 0.000) 4.284 4.310 ( -2.434 -7.518 0.000) 7.902 5.093 ( 16.005 4.121 0.000) 16.527 5.350 ( 1.959 -0.845 0.000) 2.133 5.722 ( -6.053 6.123 0.000) 8.610 6.055 ( -10.705 2.407 0.000) 10.972 6.056 ( 18.593 2.363 0.000) 18.743 7.345 ( -10.493 8.470 0.000) 13.485 7.955 ( -4.837 1.497 0.000) 5.064 9.143 ( -1.458 -4.833 0.000) 5.049 9.612 ( -6.384 3.620 0.000) 7.339 10.444 ( 1.458 -0.884 0.000) 1.705 10.514 ( 3.825 1.731 0.000) 4.199 10.953 ( 7.294 1.123 0.000) 7.380 11.011 ( -3.293 -1.801 0.000) 3.753 11.508 ( -2.671 -5.845 0.000) 6.427 11.612 ( 2.984 0.308 0.000) 2.999 13.136 ( -1.942 -0.136 0.000) 1.947 14.121 ( -1.658 -1.661 0.000) 2.346 22.481 ( 9.108 1.200 0.000) 9.187 22.923 ( -1.477 -0.179 0.000) 1.488 23.307 ( 3.292 -1.958 0.000) 3.830 24.123 ( 2.849 9.437 0.000) 9.858 25.349 ( 1.043 -1.108 0.000) 1.522 26.178 ( 4.341 0.261 0.000) 4.349 26.379 ( -2.681 -8.437 0.000) 8.853 26.549 ( -6.132 1.198 0.000) 6.248 ======================= Grid point 5 (6/144) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -5.090 4.635 0.000) 6.884 1.325 ( 3.250 -1.640 0.000) 3.640 2.036 ( 10.346 1.241 0.000) 10.421 2.320 ( 1.030 -1.013 0.000) 1.445 2.610 ( -11.537 0.200 0.000) 11.539 3.167 ( -2.493 1.674 0.000) 3.003 3.365 ( 3.503 -2.837 0.000) 4.508 3.422 ( 3.226 -4.035 0.000) 5.166 3.552 ( 7.266 6.688 0.000) 9.876 3.741 ( 8.615 -7.944 0.000) 11.718 4.289 ( -4.767 -1.178 0.000) 4.910 5.300 ( 11.128 1.396 0.000) 11.215 5.357 ( -0.312 0.175 0.000) 0.357 5.605 ( -2.562 1.953 0.000) 3.221 5.845 ( -9.739 1.639 0.000) 9.876 6.260 ( 7.523 0.845 0.000) 7.570 7.168 ( -3.563 3.007 0.000) 4.663 7.892 ( -1.654 0.457 0.000) 1.716 9.172 ( -0.293 -2.553 0.000) 2.570 9.500 ( -2.849 1.995 0.000) 3.478 10.469 ( 0.588 -0.460 0.000) 0.747 10.544 ( 1.386 0.658 0.000) 1.535 10.987 ( -1.212 -0.670 0.000) 1.385 11.028 ( 2.720 0.407 0.000) 2.750 11.520 ( -0.888 -1.877 0.000) 2.077 11.641 ( 0.976 0.200 0.000) 0.997 13.114 ( -0.784 -0.065 0.000) 0.787 14.115 ( -0.583 -0.616 0.000) 0.848 22.572 ( 3.272 0.641 0.000) 3.334 22.907 ( -0.617 -0.155 0.000) 0.636 23.364 ( 1.207 -1.205 0.000) 1.706 24.083 ( 0.810 3.319 0.000) 3.416 25.368 ( 0.321 -0.433 0.000) 0.539 26.243 ( 3.107 -0.053 0.000) 3.107 26.412 ( -0.717 -2.732 0.000) 2.824 26.453 ( -3.768 0.593 0.000) 3.814 ======================= Grid point 12 (7/144) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 18.421 0.000 0.000) 18.421 0.858 ( 26.471 0.000 0.000) 26.471 1.583 ( 45.426 0.000 0.000) 45.426 1.717 ( 4.189 0.000 0.000) 4.189 2.511 ( -1.075 -0.000 0.000) 1.075 2.679 ( 25.853 0.000 0.000) 25.853 2.817 ( 0.306 0.000 0.000) 0.306 3.442 ( -13.738 -0.000 0.000) 13.738 3.758 ( -7.944 -0.000 0.000) 7.944 3.867 ( 3.640 0.000 0.000) 3.640 3.919 ( -3.616 -0.000 0.000) 3.616 4.809 ( 9.587 0.000 0.000) 9.587 4.977 ( 18.587 0.000 0.000) 18.587 5.651 ( 5.508 0.000 0.000) 5.508 6.216 ( -8.885 -0.000 0.000) 8.885 6.271 ( -1.394 -0.000 0.000) 1.394 8.115 ( -11.860 -0.000 0.000) 11.860 8.283 ( -12.266 -0.000 0.000) 12.266 9.111 ( -1.428 -0.000 0.000) 1.428 9.937 ( -5.860 -0.000 0.000) 5.860 10.370 ( 0.704 0.000 0.000) 0.704 10.619 ( 0.793 0.000 0.000) 0.793 10.700 ( 9.374 0.000 0.000) 9.374 10.946 ( -1.186 -0.000 0.000) 1.186 11.161 ( 1.591 0.000 0.000) 1.591 11.452 ( 6.087 0.000 0.000) 6.087 13.206 ( -1.382 -0.000 0.000) 1.382 14.123 ( -2.593 -0.000 0.000) 2.593 22.102 ( 12.983 0.000 0.000) 12.983 22.956 ( -4.446 -0.000 0.000) 4.446 23.285 ( 2.118 0.000 0.000) 2.118 24.853 ( -8.882 -0.000 0.000) 8.882 25.435 ( -0.244 -0.000 0.000) 0.244 25.525 ( 11.262 0.000 0.000) 11.262 26.085 ( 2.264 0.000 0.000) 2.264 26.774 ( -4.739 -0.000 0.000) 4.739 ======================= Grid point 13 (8/144) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 19.431 -0.433 0.000) 19.436 1.285 ( 24.843 -0.508 0.000) 24.848 1.749 ( -1.060 -0.454 0.000) 1.153 2.291 ( 39.804 -3.463 0.000) 39.954 2.470 ( -1.816 3.185 0.000) 3.666 2.881 ( 4.993 -4.434 0.000) 6.677 3.091 ( 26.215 2.928 0.000) 26.377 3.177 ( -17.880 1.010 0.000) 17.908 3.551 ( -14.744 -0.077 0.000) 14.744 3.836 ( 1.481 7.944 0.000) 8.081 4.002 ( 1.665 -8.325 0.000) 8.490 4.979 ( 12.732 2.024 0.000) 12.892 5.215 ( 9.435 -0.713 0.000) 9.462 5.821 ( 16.734 1.391 0.000) 16.791 6.032 ( -10.860 2.764 0.000) 11.206 6.223 ( -4.810 0.367 0.000) 4.824 7.859 ( -15.233 6.379 0.000) 16.515 8.082 ( -12.418 -1.620 0.000) 12.524 9.085 ( -1.351 0.139 0.000) 1.358 9.821 ( -7.020 1.584 0.000) 7.197 10.388 ( 0.947 -0.669 0.000) 1.159 10.585 ( 3.226 6.948 0.000) 7.660 10.852 ( 9.376 0.658 0.000) 9.399 10.970 ( -3.150 -5.431 0.000) 6.279 11.240 ( 1.538 -8.139 0.000) 8.283 11.551 ( 5.776 0.078 0.000) 5.777 13.181 ( -1.180 0.671 0.000) 1.358 14.087 ( -2.803 -1.523 0.000) 3.190 22.328 ( 14.560 0.664 0.000) 14.575 22.890 ( -5.394 -2.835 0.000) 6.094 23.302 ( 2.687 3.007 0.000) 4.033 24.608 ( -3.224 17.997 0.000) 18.284 25.357 ( 4.137 7.506 0.000) 8.571 25.879 ( 2.390 -23.663 0.000) 23.784 26.128 ( 3.326 0.288 0.000) 3.338 26.681 ( -6.341 0.427 0.000) 6.355 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 18.574 1.825 0.000) 18.663 1.547 ( 3.377 7.473 0.000) 8.200 1.787 ( 11.867 -3.342 0.000) 12.329 2.390 ( -3.042 3.914 0.000) 4.957 2.871 ( -17.931 0.694 0.000) 17.944 2.929 ( 32.639 -5.294 0.000) 33.065 3.063 ( 8.594 -7.746 0.000) 11.569 3.325 ( -12.629 -0.102 0.000) 12.629 3.396 ( 12.948 2.556 0.000) 13.198 3.797 ( 7.304 10.691 0.000) 12.948 4.099 ( -1.919 -10.201 0.000) 10.380 5.173 ( 14.338 2.858 0.000) 14.620 5.320 ( 2.746 -1.847 0.000) 3.310 5.823 ( -10.714 2.895 0.000) 11.099 6.093 ( -10.567 1.186 0.000) 10.633 6.098 ( 16.742 1.381 0.000) 16.799 7.528 ( -14.591 8.271 0.000) 16.772 7.931 ( -9.607 -3.436 0.000) 10.203 9.075 ( -0.387 -1.278 0.000) 1.335 9.690 ( -5.815 3.005 0.000) 6.546 10.413 ( 0.832 -1.241 0.000) 1.494 10.582 ( 3.088 3.910 0.000) 4.982 10.966 ( -1.942 -2.366 0.000) 3.061 10.975 ( 6.543 0.805 0.000) 6.592 11.351 ( 1.368 -7.656 0.000) 7.777 11.625 ( 3.781 0.678 0.000) 3.841 13.157 ( -0.217 1.625 0.000) 1.640 14.069 ( -2.179 -2.676 0.000) 3.451 22.524 ( 10.846 2.587 0.000) 11.150 22.851 ( -4.212 -5.003 0.000) 6.540 23.316 ( 2.366 1.634 0.000) 2.875 24.398 ( -1.754 14.207 0.000) 14.315 25.364 ( 3.202 3.076 0.000) 4.440 26.117 ( 2.151 -15.077 0.000) 15.230 26.186 ( 4.204 0.389 0.000) 4.222 26.567 ( -7.025 0.461 0.000) 7.040 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -6.791 9.859 0.000) 11.971 1.401 ( 14.597 6.722 0.000) 16.070 2.050 ( 10.678 0.042 0.000) 10.678 2.312 ( -1.413 0.387 0.000) 1.465 2.623 ( -10.203 0.849 0.000) 10.239 3.161 ( -7.843 -1.314 0.000) 7.952 3.288 ( 7.844 -7.588 0.000) 10.914 3.350 ( 9.851 2.520 0.000) 10.168 3.543 ( 10.138 -7.510 0.000) 12.617 3.811 ( 9.118 13.289 0.000) 16.116 4.169 ( -3.008 -9.813 0.000) 10.264 5.353 ( -0.160 -0.841 0.000) 0.856 5.360 ( 11.382 3.471 0.000) 11.900 5.649 ( -6.776 1.878 0.000) 7.031 5.870 ( -13.946 0.712 0.000) 13.964 6.274 ( 5.284 0.479 0.000) 5.306 7.254 ( -9.746 4.931 0.000) 10.923 7.847 ( -5.950 -4.335 0.000) 7.362 9.104 ( 1.457 -2.661 0.000) 3.034 9.583 ( -2.129 4.427 0.000) 4.912 10.437 ( -0.022 -1.685 0.000) 1.685 10.586 ( 1.412 2.497 0.000) 2.869 10.969 ( 0.314 -0.912 0.000) 0.965 11.037 ( 1.737 0.394 0.000) 1.781 11.445 ( 2.082 -4.721 0.000) 5.159 11.657 ( 1.403 1.084 0.000) 1.773 13.143 ( 1.383 2.500 0.000) 2.857 14.073 ( -1.103 -2.986 0.000) 3.183 22.602 ( 2.340 2.216 0.000) 3.223 22.861 ( -1.116 -3.832 0.000) 3.991 23.346 ( 2.119 -0.320 0.000) 2.143 24.238 ( -2.264 9.880 0.000) 10.136 25.385 ( 2.697 2.183 0.000) 3.469 26.249 ( 3.792 0.579 0.000) 3.836 26.283 ( 2.683 -8.884 0.000) 9.281 26.456 ( -5.777 -0.198 0.000) 5.780 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.300 5.944 0.000) 5.951 1.488 ( 8.650 12.077 0.000) 14.855 1.999 ( -13.347 -2.074 0.000) 13.507 2.349 ( 1.049 1.619 0.000) 1.929 2.617 ( 11.741 0.766 0.000) 11.766 3.094 ( -4.574 -4.046 0.000) 6.106 3.385 ( 2.623 1.596 0.000) 3.070 3.439 ( 3.120 -2.457 0.000) 3.971 3.560 ( -12.795 2.428 0.000) 13.024 3.892 ( 6.311 6.774 0.000) 9.258 4.233 ( 4.060 -5.841 0.000) 7.114 5.322 ( -13.130 3.515 0.000) 13.592 5.353 ( 0.058 -0.252 0.000) 0.258 5.575 ( -2.007 -0.843 0.000) 2.177 5.797 ( 6.071 -2.943 0.000) 6.747 6.240 ( -9.807 -0.952 0.000) 9.853 7.124 ( -3.488 -1.069 0.000) 3.648 7.830 ( -2.346 -4.896 0.000) 5.429 9.172 ( 3.327 -2.070 0.000) 3.919 9.537 ( 2.770 4.696 0.000) 5.452 10.443 ( -1.705 -1.914 0.000) 2.564 10.570 ( -0.346 2.149 0.000) 2.177 10.996 ( 2.518 0.214 0.000) 2.527 11.020 ( -3.692 -0.304 0.000) 3.705 11.521 ( 3.151 -1.640 0.000) 3.553 11.651 ( -0.608 1.033 0.000) 1.199 13.149 ( 3.009 3.068 0.000) 4.297 14.094 ( 0.053 -2.460 0.000) 2.461 22.573 ( -3.542 0.745 0.000) 3.620 22.873 ( -2.108 -2.897 0.000) 3.583 23.383 ( 2.108 0.413 0.000) 2.148 24.111 ( -3.306 5.297 0.000) 6.244 25.400 ( 2.248 2.589 0.000) 3.428 26.254 ( -2.797 1.043 0.000) 2.985 26.398 ( 3.311 -3.766 0.000) 5.015 26.430 ( 2.021 -1.581 0.000) 2.566 ======================= Grid point 17 (12/144) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 8.622 -1.259 0.000) 8.714 1.428 ( 3.101 16.381 0.000) 16.672 1.779 ( -15.683 -3.350 0.000) 16.036 2.328 ( -0.077 1.736 0.000) 1.737 2.857 ( 16.411 0.516 0.000) 16.419 3.057 ( -10.882 -5.576 0.000) 12.228 3.207 ( -26.440 0.053 0.000) 26.440 3.422 ( 4.522 3.443 0.000) 5.683 3.422 ( -3.074 5.465 0.000) 6.270 3.800 ( 1.235 11.304 0.000) 11.371 4.385 ( 6.222 -0.530 0.000) 6.245 5.022 ( -19.700 -1.867 0.000) 19.788 5.359 ( -0.081 0.163 0.000) 0.182 5.591 ( -0.535 -5.403 0.000) 5.429 5.991 ( 10.552 -3.574 0.000) 11.141 6.001 ( -20.766 -2.669 0.000) 20.937 7.169 ( 3.138 -7.961 0.000) 8.557 7.874 ( 0.819 -5.506 0.000) 5.566 9.236 ( 4.220 2.308 0.000) 4.810 9.579 ( 6.572 1.674 0.000) 6.782 10.420 ( -3.890 -2.121 0.000) 4.430 10.532 ( -1.224 2.326 0.000) 2.629 10.930 ( -8.089 -1.016 0.000) 8.153 11.042 ( 4.004 1.147 0.000) 4.165 11.583 ( 4.302 1.220 0.000) 4.472 11.618 ( -2.205 0.845 0.000) 2.361 13.172 ( 3.888 3.231 0.000) 5.055 14.125 ( 1.077 -1.427 0.000) 1.788 22.475 ( -7.757 0.612 0.000) 7.781 22.860 ( -4.580 -4.883 0.000) 6.695 23.391 ( 1.684 4.342 0.000) 4.657 24.022 ( -4.331 -0.201 0.000) 4.335 25.399 ( 1.542 3.478 0.000) 3.804 26.178 ( -4.725 0.336 0.000) 4.737 26.475 ( 4.400 0.822 0.000) 4.476 26.515 ( 5.177 -1.962 0.000) 5.537 ======================= Grid point 18 (13/144) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.758 20.096 0.000) 20.110 1.350 ( -5.526 3.065 0.000) 6.319 1.680 ( 0.392 -6.430 0.000) 6.442 2.314 ( -0.697 -0.229 0.000) 0.734 2.582 ( -37.891 6.025 0.000) 38.367 2.896 ( -25.016 -4.662 0.000) 25.447 3.111 ( 14.419 -0.459 0.000) 14.426 3.258 ( -4.524 9.978 0.000) 10.956 3.492 ( 9.032 1.464 0.000) 9.150 3.811 ( 11.934 7.911 0.000) 14.318 4.398 ( -0.674 5.853 0.000) 5.891 4.764 ( -17.590 -6.464 0.000) 18.740 5.278 ( -11.534 1.971 0.000) 11.701 5.649 ( -6.912 -9.842 0.000) 12.026 5.726 ( -11.003 -5.158 0.000) 12.151 6.166 ( 6.600 -2.494 0.000) 7.055 7.392 ( 9.191 -14.128 0.000) 16.855 7.972 ( 3.308 -6.398 0.000) 7.202 9.259 ( 5.127 6.854 0.000) 8.559 9.696 ( 7.239 -1.731 0.000) 7.443 10.363 ( -6.230 -2.637 0.000) 6.765 10.485 ( -1.105 2.684 0.000) 2.902 10.793 ( -10.278 -1.601 0.000) 10.402 11.097 ( 4.535 1.778 0.000) 4.871 11.562 ( -3.434 1.016 0.000) 3.581 11.636 ( 5.860 3.872 0.000) 7.023 13.201 ( 3.700 2.992 0.000) 4.758 14.158 ( 1.787 -0.257 0.000) 1.805 22.315 ( -10.778 0.866 0.000) 10.813 22.829 ( -7.743 -7.608 0.000) 10.855 23.344 ( 1.222 8.314 0.000) 8.404 23.974 ( -5.329 -5.060 0.000) 7.349 25.374 ( 0.578 4.282 0.000) 4.321 26.107 ( -3.899 -0.334 0.000) 3.913 26.530 ( 6.503 4.816 0.000) 8.092 26.623 ( 5.234 -2.224 0.000) 5.687 ======================= Grid point 19 (14/144) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -2.168 23.334 0.000) 23.434 1.127 ( -10.937 9.214 0.000) 14.301 1.759 ( 0.156 -0.484 0.000) 0.509 1.839 ( -43.992 7.748 0.000) 44.669 2.322 ( -1.004 -4.816 0.000) 4.919 2.460 ( -30.027 0.404 0.000) 30.030 3.075 ( -1.863 9.351 0.000) 9.535 3.372 ( 13.611 -1.724 0.000) 13.719 3.646 ( 7.685 -2.024 0.000) 7.947 3.960 ( 15.533 7.405 0.000) 17.207 4.265 ( -5.148 8.516 0.000) 9.951 4.593 ( -13.746 -8.847 0.000) 16.347 4.981 ( -19.594 0.005 0.000) 19.594 5.524 ( -10.639 -2.133 0.000) 10.851 5.791 ( -3.052 -13.753 0.000) 14.088 6.256 ( 2.562 -1.027 0.000) 2.761 7.733 ( 11.289 -16.696 0.000) 20.154 8.111 ( 4.432 -7.448 0.000) 8.668 9.263 ( 5.985 8.972 0.000) 10.785 9.831 ( 5.746 -3.247 0.000) 6.600 10.278 ( -8.258 -3.486 0.000) 8.963 10.442 ( -0.584 2.786 0.000) 2.847 10.647 ( -9.707 -1.932 0.000) 9.898 11.144 ( 3.807 2.133 0.000) 4.364 11.488 ( -3.923 1.669 0.000) 4.263 11.698 ( 8.916 6.063 0.000) 10.782 13.224 ( 2.678 2.379 0.000) 3.583 14.185 ( 1.932 0.787 0.000) 2.086 22.124 ( -11.032 1.147 0.000) 11.091 22.760 ( -13.225 -10.163 0.000) 16.679 23.263 ( 1.056 9.724 0.000) 9.781 23.946 ( -6.654 -7.200 0.000) 9.804 25.328 ( -0.284 4.612 0.000) 4.620 26.061 ( -2.603 -0.786 0.000) 2.719 26.594 ( 10.098 7.618 0.000) 12.649 26.725 ( 4.192 -2.252 0.000) 4.759 ======================= Grid point 20 (15/144) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -1.845 25.282 0.000) 25.349 0.823 ( -9.067 16.994 0.000) 19.262 1.032 ( -42.839 9.994 0.000) 43.989 1.694 ( -4.046 3.169 0.000) 5.139 1.965 ( -29.113 1.422 0.000) 29.148 2.385 ( 0.103 -7.206 0.000) 7.207 2.980 ( 0.870 7.875 0.000) 7.923 3.577 ( 8.474 -1.774 0.000) 8.657 3.739 ( 1.940 0.046 0.000) 1.940 4.026 ( -1.574 9.288 0.000) 9.420 4.182 ( 9.300 5.364 0.000) 10.736 4.518 ( -7.624 -9.806 0.000) 12.421 4.757 ( -4.358 1.348 0.000) 4.562 5.329 ( -19.582 -4.554 0.000) 20.105 5.867 ( -5.053 -12.492 0.000) 13.475 6.284 ( 0.521 -0.082 0.000) 0.528 8.066 ( 7.948 -14.166 0.000) 16.243 8.263 ( 3.379 -8.770 0.000) 9.398 9.259 ( 5.463 9.394 0.000) 10.867 9.944 ( 3.757 -3.561 0.000) 5.177 10.176 ( -9.236 -3.900 0.000) 10.026 10.407 ( -0.222 2.536 0.000) 2.545 10.536 ( -6.089 -1.897 0.000) 6.377 11.168 ( 1.931 2.266 0.000) 2.978 11.408 ( -2.937 2.300 0.000) 3.731 11.814 ( 13.875 5.765 0.000) 15.024 13.235 ( 1.300 1.477 0.000) 1.967 14.200 ( 1.306 1.517 0.000) 2.002 21.956 ( -7.640 1.101 0.000) 7.719 22.595 ( -21.498 -10.033 0.000) 23.724 23.179 ( 0.869 8.752 0.000) 8.795 23.902 ( -7.472 -5.676 0.000) 9.384 25.272 ( -0.513 4.215 0.000) 4.246 26.039 ( -1.259 -0.941 0.000) 1.572 26.709 ( 14.260 7.034 0.000) 15.901 26.801 ( 2.359 -1.957 0.000) 3.065 ======================= Grid point 21 (16/144) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -0.000 16.335 0.000) 16.335 0.413 ( -0.000 24.745 0.000) 24.745 0.510 ( -0.000 23.054 0.000) 23.054 1.582 ( -0.000 7.603 0.000) 7.603 1.624 ( -0.000 2.360 0.000) 2.360 2.459 ( 0.000 -5.886 0.000) 5.886 2.914 ( -0.000 6.131 0.000) 6.131 3.662 ( 0.000 -1.153 0.000) 1.153 3.730 ( -0.000 1.603 0.000) 1.603 3.911 ( -0.000 8.227 0.000) 8.227 4.224 ( -0.000 2.916 0.000) 2.916 4.556 ( 0.000 -7.994 0.000) 7.994 4.919 ( -0.000 1.564 0.000) 1.564 4.947 ( 0.000 -1.092 0.000) 1.092 5.917 ( 0.000 -7.662 0.000) 7.662 6.285 ( -0.000 0.263 0.000) 0.263 8.249 ( 0.000 -7.556 0.000) 7.556 8.397 ( 0.000 -9.514 0.000) 9.514 9.220 ( -0.000 7.450 0.000) 7.450 10.024 ( 0.000 -3.215 0.000) 3.215 10.093 ( 0.000 -1.281 0.000) 1.281 10.381 ( -0.000 1.955 0.000) 1.955 10.503 ( 0.000 -1.497 0.000) 1.497 11.160 ( -0.000 1.973 0.000) 1.973 11.358 ( -0.000 2.070 0.000) 2.070 11.976 ( 0.000 -1.794 0.000) 1.794 13.235 ( -0.000 0.534 0.000) 0.534 14.193 ( -0.000 1.727 0.000) 1.727 21.877 ( -0.000 0.715 0.000) 0.715 22.354 ( -0.000 1.523 0.000) 1.523 23.105 ( -0.000 6.435 0.000) 6.435 23.853 ( 0.000 -1.078 0.000) 1.078 25.228 ( -0.000 3.020 0.000) 3.020 26.039 ( 0.000 -0.787 0.000) 0.787 26.839 ( 0.000 -1.379 0.000) 1.379 26.852 ( 0.000 -0.447 0.000) 0.447 ======================= Grid point 24 (17/144) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 21.229 0.000 0.000) 21.229 1.685 ( -5.984 -0.000 0.000) 5.984 1.692 ( 24.591 0.000 0.000) 24.591 2.444 ( -4.076 -0.000 0.000) 4.076 2.864 ( 33.240 0.000 0.000) 33.240 2.880 ( -18.588 -0.000 0.000) 18.588 2.969 ( 8.723 0.000 0.000) 8.723 3.322 ( -13.097 -0.000 0.000) 13.097 3.469 ( 18.214 0.000 0.000) 18.214 3.849 ( -4.592 -0.000 0.000) 4.592 4.029 ( 5.573 0.000 0.000) 5.573 5.205 ( 13.891 0.000 0.000) 13.891 5.293 ( 2.464 0.000 0.000) 2.464 5.851 ( -11.954 -0.000 0.000) 11.954 6.106 ( -10.456 -0.000 0.000) 10.456 6.113 ( 15.989 0.000 0.000) 15.989 7.646 ( -16.098 -0.000 0.000) 16.098 7.864 ( -11.399 -0.000 0.000) 11.399 9.068 ( -0.692 -0.000 0.000) 0.692 9.724 ( -5.635 -0.000 0.000) 5.635 10.400 ( 0.858 0.000 0.000) 0.858 10.641 ( 0.258 0.000 0.000) 0.258 10.928 ( 0.586 0.000 0.000) 0.586 10.984 ( 6.217 0.000 0.000) 6.217 11.253 ( 4.366 0.000 0.000) 4.366 11.634 ( 4.102 0.000 0.000) 4.102 13.179 ( 0.511 0.000 0.000) 0.511 14.035 ( -2.432 -0.000 0.000) 2.432 22.564 ( 13.180 0.000 0.000) 13.180 22.781 ( -5.750 -0.000 0.000) 5.750 23.338 ( 0.646 0.000 0.000) 0.646 24.585 ( -7.897 -0.000 0.000) 7.897 25.447 ( 1.328 0.000 0.000) 1.328 25.878 ( 10.351 0.000 0.000) 10.351 26.190 ( 4.187 0.000 0.000) 4.187 26.571 ( -7.393 -0.000 0.000) 7.393 ======================= Grid point 25 (18/144) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 20.216 3.439 0.000) 20.506 1.551 ( -6.624 4.791 0.000) 8.175 2.044 ( 13.924 -0.332 0.000) 13.928 2.331 ( -6.309 0.921 0.000) 6.376 2.640 ( -8.707 0.579 0.000) 8.726 3.143 ( -8.832 -0.324 0.000) 8.838 3.146 ( 9.685 -4.273 0.000) 10.586 3.341 ( 22.187 -3.053 0.000) 22.396 3.581 ( 3.038 11.050 0.000) 11.460 3.886 ( 0.838 -13.965 0.000) 13.990 4.060 ( 2.492 6.386 0.000) 6.855 5.325 ( 0.773 -1.248 0.000) 1.468 5.420 ( 13.282 1.644 0.000) 13.384 5.677 ( -8.577 0.648 0.000) 8.602 5.879 ( -17.197 0.179 0.000) 17.198 6.281 ( 3.938 0.134 0.000) 3.940 7.360 ( -15.064 3.959 0.000) 15.576 7.740 ( -7.040 -4.161 0.000) 8.178 9.073 ( 1.266 -0.507 0.000) 1.364 9.654 ( -1.410 1.838 0.000) 2.317 10.411 ( 0.077 -0.593 0.000) 0.598 10.632 ( -0.030 1.373 0.000) 1.373 10.953 ( 1.964 -0.429 0.000) 2.011 11.043 ( 1.083 0.172 0.000) 1.096 11.352 ( 5.178 -2.936 0.000) 5.952 11.677 ( 1.632 0.579 0.000) 1.732 13.197 ( 2.801 1.783 0.000) 3.320 14.013 ( -1.538 -1.931 0.000) 2.469 22.665 ( -0.557 3.439 0.000) 3.484 22.767 ( 2.378 -4.393 0.000) 4.996 23.345 ( 1.021 0.079 0.000) 1.024 24.427 ( -7.005 5.679 0.000) 9.018 25.458 ( 3.259 3.607 0.000) 4.861 26.082 ( 8.014 -7.501 0.000) 10.977 26.261 ( 4.657 0.386 0.000) 4.673 26.450 ( -7.430 -0.251 0.000) 7.434 ======================= Grid point 26 (19/144) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -2.713 8.225 0.000) 8.661 1.747 ( 15.617 10.006 0.000) 18.547 1.952 ( -17.497 -2.117 0.000) 17.625 2.389 ( 4.819 2.058 0.000) 5.240 2.636 ( 11.115 0.866 0.000) 11.149 3.039 ( -5.649 -0.891 0.000) 5.719 3.345 ( 7.633 -5.137 0.000) 9.200 3.489 ( 2.244 7.789 0.000) 8.106 3.536 ( -7.976 -3.359 0.000) 8.655 3.998 ( -0.851 -4.368 0.000) 4.450 4.108 ( 12.466 1.002 0.000) 12.506 5.343 ( 0.436 -0.683 0.000) 0.810 5.435 ( -15.211 6.342 0.000) 16.481 5.567 ( -4.978 -0.042 0.000) 4.978 5.718 ( 4.230 -4.387 0.000) 6.094 6.223 ( -11.364 -0.615 0.000) 11.380 7.118 ( -11.285 0.304 0.000) 11.289 7.713 ( -2.870 -5.134 0.000) 5.882 9.127 ( 4.041 -1.617 0.000) 4.353 9.641 ( 3.459 4.003 0.000) 5.291 10.410 ( -1.489 -1.029 0.000) 1.810 10.612 ( -0.534 1.547 0.000) 1.636 10.999 ( 3.531 0.151 0.000) 3.534 11.015 ( -4.421 -0.152 0.000) 4.423 11.468 ( 5.216 -2.700 0.000) 5.873 11.676 ( -0.493 1.069 0.000) 1.177 13.229 ( 4.711 3.747 0.000) 6.019 14.025 ( -0.480 -3.372 0.000) 3.406 22.599 ( -3.662 1.471 0.000) 3.946 22.805 ( -3.264 -3.021 0.000) 4.448 23.384 ( 3.786 -0.120 0.000) 3.788 24.252 ( -6.598 6.245 0.000) 9.085 25.477 ( 4.218 4.284 0.000) 6.012 26.275 ( 6.437 -6.658 0.000) 9.261 26.286 ( -2.870 1.917 0.000) 3.451 26.388 ( 1.003 -2.254 0.000) 2.467 ======================= Grid point 27 (20/144) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 5.952 5.554 0.000) 8.141 1.696 ( -17.616 -4.149 0.000) 18.098 1.808 ( 10.147 16.940 0.000) 19.746 2.382 ( 0.197 3.034 0.000) 3.041 2.877 ( 16.841 1.303 0.000) 16.892 2.952 ( -7.779 -2.414 0.000) 8.145 3.221 ( -28.724 -0.106 0.000) 28.724 3.469 ( 2.833 -0.915 0.000) 2.977 3.514 ( 7.323 4.644 0.000) 8.671 3.987 ( -0.153 3.962 0.000) 3.965 4.336 ( 12.033 -1.698 0.000) 12.152 5.031 ( -24.500 2.638 0.000) 24.642 5.360 ( 0.969 -0.105 0.000) 0.974 5.505 ( -4.794 -2.660 0.000) 5.483 5.905 ( 10.003 -4.277 0.000) 10.879 5.949 ( -23.025 -2.042 0.000) 23.116 7.007 ( -6.450 -6.853 0.000) 9.411 7.751 ( 0.505 -5.272 0.000) 5.296 9.230 ( 6.215 -1.704 0.000) 6.444 9.672 ( 6.489 5.485 0.000) 8.496 10.382 ( -3.620 -1.258 0.000) 3.832 10.582 ( -0.803 2.037 0.000) 2.190 10.911 ( -8.709 -0.693 0.000) 8.737 11.061 ( 4.545 0.665 0.000) 4.594 11.574 ( 5.056 -1.583 0.000) 5.298 11.643 ( -1.857 1.315 0.000) 2.275 13.265 ( 5.471 5.032 0.000) 7.433 14.065 ( 0.488 -3.804 0.000) 3.835 22.504 ( -6.320 2.033 0.000) 6.639 22.751 ( -7.470 -4.828 0.000) 8.894 23.454 ( 5.089 1.512 0.000) 5.309 24.084 ( -6.774 4.741 0.000) 8.269 25.495 ( 4.123 5.319 0.000) 6.730 26.192 ( -5.435 0.890 0.000) 5.508 26.432 ( 5.894 -4.179 0.000) 7.225 26.469 ( 4.670 -2.156 0.000) 5.144 ======================= Grid point 28 (21/144) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 4.398 5.660 0.000) 7.168 1.504 ( -5.946 -8.947 0.000) 10.742 1.723 ( 5.821 22.322 0.000) 23.069 2.351 ( -0.288 3.011 0.000) 3.025 2.662 ( -38.268 1.756 0.000) 38.309 2.821 ( -13.400 -2.292 0.000) 13.594 3.117 ( 14.343 1.125 0.000) 14.387 3.442 ( -2.177 6.246 0.000) 6.615 3.574 ( 5.975 5.277 0.000) 7.971 3.988 ( 9.629 6.957 0.000) 11.879 4.467 ( 3.038 1.355 0.000) 3.327 4.650 ( -22.387 -3.498 0.000) 22.658 5.321 ( -11.646 2.025 0.000) 11.821 5.452 ( -5.755 -7.141 0.000) 9.172 5.627 ( -15.769 -4.739 0.000) 16.466 6.098 ( 7.733 -3.923 0.000) 8.671 7.067 ( -0.898 -15.532 0.000) 15.558 7.838 ( 3.014 -5.503 0.000) 6.274 9.347 ( 7.160 0.725 0.000) 7.197 9.728 ( 7.159 4.682 0.000) 8.554 10.319 ( -5.916 -1.391 0.000) 6.077 10.544 ( -0.663 2.608 0.000) 2.691 10.761 ( -10.735 -1.250 0.000) 10.808 11.127 ( 4.715 1.111 0.000) 4.844 11.592 ( -2.562 1.572 0.000) 3.005 11.665 ( 4.971 -0.560 0.000) 5.003 13.294 ( 4.987 5.444 0.000) 7.383 14.118 ( 1.174 -3.333 0.000) 3.533 22.347 ( -10.153 2.014 0.000) 10.351 22.685 ( -7.702 -5.563 0.000) 9.501 23.498 ( 4.383 5.107 0.000) 6.729 23.941 ( -6.461 1.456 0.000) 6.623 25.491 ( 3.134 6.505 0.000) 7.221 26.106 ( -4.423 0.175 0.000) 4.426 26.558 ( 6.046 -1.594 0.000) 6.252 26.571 ( 4.633 -2.546 0.000) 5.287 ======================= Grid point 29 (22/144) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -5.773 5.384 0.000) 7.895 1.529 ( 1.178 24.502 0.000) 24.531 1.685 ( 7.493 -5.003 0.000) 9.009 1.974 ( -40.536 5.807 0.000) 40.950 2.294 ( -3.251 2.383 0.000) 4.031 2.540 ( -19.387 5.196 0.000) 20.071 3.261 ( 0.977 6.243 0.000) 6.319 3.373 ( 9.322 3.132 0.000) 9.834 3.634 ( 6.638 1.162 0.000) 6.739 4.129 ( 14.991 7.075 0.000) 16.576 4.395 ( -17.676 -8.972 0.000) 19.823 4.408 ( -5.215 5.026 0.000) 7.243 4.976 ( -21.705 -0.348 0.000) 21.708 5.493 ( -8.470 -1.354 0.000) 8.578 5.516 ( -2.118 -10.944 0.000) 11.147 6.223 ( 3.732 -2.142 0.000) 4.303 7.302 ( 3.692 -22.794 0.000) 23.091 7.960 ( 4.260 -6.085 0.000) 7.428 9.437 ( 7.845 5.294 0.000) 9.464 9.800 ( 5.741 1.558 0.000) 5.949 10.223 ( -7.888 -1.707 0.000) 8.071 10.506 ( -0.339 3.002 0.000) 3.021 10.607 ( -9.966 -1.719 0.000) 10.113 11.184 ( 3.905 1.513 0.000) 4.188 11.529 ( -2.664 2.103 0.000) 3.394 11.750 ( 5.241 -0.204 0.000) 5.245 13.306 ( 3.601 5.193 0.000) 6.320 14.170 ( 1.395 -2.323 0.000) 2.710 22.152 ( -11.060 1.430 0.000) 11.152 22.611 ( -8.374 -4.206 0.000) 9.371 23.475 ( 2.166 9.046 0.000) 9.302 23.855 ( -4.553 -2.057 0.000) 4.997 25.456 ( 1.679 7.263 0.000) 7.455 26.047 ( -2.960 -0.428 0.000) 2.991 26.666 ( 6.502 0.111 0.000) 6.503 26.668 ( 3.721 -2.889 0.000) 4.711 ======================= Grid point 30 (23/144) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -31.514 8.542 0.000) 32.651 1.151 ( -1.761 12.214 0.000) 12.341 1.380 ( -4.429 28.147 0.000) 28.494 1.762 ( -0.316 2.382 0.000) 2.403 2.130 ( -18.123 11.457 0.000) 21.441 2.241 ( -2.473 -4.308 0.000) 4.967 3.166 ( 0.476 9.041 0.000) 9.053 3.549 ( 9.835 -0.627 0.000) 9.854 3.737 ( 5.053 -0.293 0.000) 5.061 4.175 ( -6.556 3.620 0.000) 7.489 4.271 ( -11.389 -12.576 0.000) 16.967 4.319 ( 7.113 7.174 0.000) 10.103 4.775 ( -0.386 0.763 0.000) 0.855 5.290 ( -17.591 -0.447 0.000) 17.597 5.616 ( -0.640 -10.151 0.000) 10.171 6.274 ( 1.059 -0.871 0.000) 1.371 7.633 ( 4.149 -25.214 0.000) 25.553 8.094 ( 3.284 -6.846 0.000) 7.593 9.482 ( 7.192 9.746 0.000) 12.113 9.874 ( 3.122 -1.934 0.000) 3.672 10.113 ( -7.721 -2.241 0.000) 8.039 10.470 ( -0.099 3.133 0.000) 3.134 10.493 ( -6.171 -2.015 0.000) 6.492 11.215 ( 2.136 1.975 0.000) 2.909 11.465 ( -1.931 2.802 0.000) 3.403 11.843 ( 5.201 -1.296 0.000) 5.360 13.298 ( 1.778 4.412 0.000) 4.757 14.208 ( 1.001 -1.035 0.000) 1.440 21.980 ( -7.874 1.178 0.000) 7.962 22.500 ( -8.483 -0.906 0.000) 8.532 23.390 ( 0.565 10.178 0.000) 10.194 23.826 ( -2.533 -2.448 0.000) 3.523 25.394 ( 0.441 7.142 0.000) 7.156 26.019 ( -1.429 -0.860 0.000) 1.668 26.748 ( 2.122 -2.940 0.000) 3.626 26.767 ( 5.942 -0.032 0.000) 5.942 ======================= Grid point 31 (24/144) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -0.000 10.006 0.000) 10.006 0.966 ( -0.000 18.762 0.000) 18.762 1.044 ( -0.000 32.676 0.000) 32.676 1.699 ( -0.000 4.522 0.000) 4.522 1.815 ( -0.000 13.508 0.000) 13.508 2.300 ( 0.000 -8.120 0.000) 8.120 3.078 ( -0.000 8.689 0.000) 8.689 3.640 ( 0.000 -0.505 0.000) 0.505 3.767 ( -0.000 1.604 0.000) 1.604 4.067 ( -0.000 4.416 0.000) 4.416 4.312 ( -0.000 5.025 0.000) 5.025 4.320 ( 0.000 -13.508 0.000) 13.508 4.932 ( -0.000 0.034 0.000) 0.034 4.969 ( -0.000 3.151 0.000) 3.151 5.715 ( 0.000 -10.083 0.000) 10.083 6.287 ( 0.000 -0.241 0.000) 0.241 7.932 ( 0.000 -22.184 0.000) 22.184 8.200 ( 0.000 -7.721 0.000) 7.721 9.432 ( -0.000 11.440 0.000) 11.440 9.939 ( 0.000 -4.219 0.000) 4.219 10.058 ( 0.000 -1.861 0.000) 1.861 10.436 ( -0.000 2.999 0.000) 2.999 10.463 ( 0.000 -2.088 0.000) 2.088 11.209 ( -0.000 2.357 0.000) 2.357 11.415 ( -0.000 3.079 0.000) 3.079 11.923 ( 0.000 -3.043 0.000) 3.043 13.271 ( -0.000 3.117 0.000) 3.117 14.221 ( -0.000 0.346 0.000) 0.346 21.898 ( -0.000 1.201 0.000) 1.201 22.399 ( -0.000 2.559 0.000) 2.559 23.286 ( -0.000 9.832 0.000) 9.832 23.823 ( 0.000 -1.601 0.000) 1.601 25.325 ( -0.000 6.030 0.000) 6.030 26.018 ( 0.000 -1.038 0.000) 1.038 26.796 ( 0.000 -2.611 0.000) 2.611 26.835 ( 0.000 -1.215 0.000) 1.215 ======================= Grid point 36 (25/144) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -2.612 -0.000 0.000) 2.612 1.860 ( 17.888 0.000 0.000) 17.888 1.925 ( -20.224 -0.000 0.000) 20.224 2.417 ( 6.778 0.000 0.000) 6.778 2.647 ( 10.640 0.000 0.000) 10.640 3.035 ( -4.542 -0.000 0.000) 4.542 3.278 ( 9.055 0.000 0.000) 9.055 3.481 ( -5.639 -0.000 0.000) 5.639 3.661 ( -4.996 -0.000 0.000) 4.996 3.826 ( 7.321 0.000 0.000) 7.321 4.170 ( 9.026 0.000 0.000) 9.026 5.333 ( 1.038 0.000 0.000) 1.038 5.540 ( -24.111 -0.000 0.000) 24.111 5.567 ( -5.925 -0.000 0.000) 5.925 5.637 ( 11.993 0.000 0.000) 11.993 6.216 ( -11.877 -0.000 0.000) 11.877 7.125 ( -15.718 -0.000 0.000) 15.718 7.650 ( -1.564 -0.000 0.000) 1.564 9.110 ( 3.845 0.000 0.000) 3.845 9.686 ( 3.801 0.000 0.000) 3.801 10.399 ( -1.278 -0.000 0.000) 1.278 10.630 ( -0.765 -0.000 0.000) 0.765 11.002 ( 3.912 0.000 0.000) 3.912 11.014 ( -4.697 -0.000 0.000) 4.697 11.433 ( 6.272 0.000 0.000) 6.272 11.689 ( -0.493 -0.000 0.000) 0.493 13.276 ( 5.429 0.000 0.000) 5.429 13.982 ( -0.802 -0.000 0.000) 0.802 22.620 ( -3.820 -0.000 0.000) 3.820 22.766 ( -3.267 -0.000 0.000) 3.267 23.383 ( 4.085 0.000 0.000) 4.085 24.326 ( -8.457 -0.000 0.000) 8.457 25.539 ( 4.441 0.000 0.000) 4.441 26.185 ( 8.671 0.000 0.000) 8.671 26.326 ( -7.384 -0.000 0.000) 7.384 26.344 ( 5.111 0.000 0.000) 5.111 ======================= Grid point 37 (26/144) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.810 5.597 0.000) 5.882 1.607 ( -18.028 -3.918 0.000) 18.448 2.073 ( 12.719 6.613 0.000) 14.336 2.441 ( 0.224 1.859 0.000) 1.872 2.904 ( 17.772 0.866 0.000) 17.793 2.957 ( -5.792 1.730 0.000) 6.045 3.195 ( -28.190 -1.765 0.000) 28.245 3.420 ( 6.419 -2.216 0.000) 6.791 3.609 ( 3.999 3.596 0.000) 5.378 3.953 ( 3.613 -3.970 0.000) 5.368 4.359 ( 13.605 1.969 0.000) 13.747 5.101 ( -27.499 2.610 0.000) 27.622 5.355 ( 1.448 -0.273 0.000) 1.473 5.471 ( -6.668 -0.698 0.000) 6.705 5.825 ( 9.481 -2.486 0.000) 9.802 5.919 ( -24.335 -0.696 0.000) 24.345 6.897 ( -13.466 -2.935 0.000) 13.782 7.670 ( 2.123 -1.992 0.000) 2.911 9.198 ( 6.465 -0.895 0.000) 6.526 9.762 ( 6.607 2.292 0.000) 6.993 10.367 ( -2.980 -0.226 0.000) 2.989 10.613 ( -0.726 0.779 0.000) 1.065 10.901 ( -9.049 -0.245 0.000) 9.052 11.072 ( 4.818 0.303 0.000) 4.827 11.538 ( 5.679 -1.165 0.000) 5.798 11.666 ( -1.818 0.600 0.000) 1.914 13.359 ( 6.502 2.907 0.000) 7.123 13.989 ( -0.094 -2.479 0.000) 2.481 22.555 ( -3.973 2.354 0.000) 4.618 22.662 ( -9.757 -3.222 0.000) 10.275 23.469 ( 6.102 0.199 0.000) 6.105 24.171 ( -8.761 2.478 0.000) 9.105 25.601 ( 5.580 3.520 0.000) 6.597 26.210 ( -6.339 0.589 0.000) 6.366 26.337 ( 7.494 -3.368 0.000) 8.216 26.432 ( 4.857 -1.066 0.000) 4.973 ======================= Grid point 38 (27/144) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -12.955 -5.976 0.000) 14.267 1.570 ( 8.990 5.248 0.000) 10.410 2.128 ( 7.315 14.030 0.000) 15.823 2.419 ( 0.444 2.908 0.000) 2.942 2.666 ( -36.311 -1.542 0.000) 36.344 2.814 ( -9.997 2.116 0.000) 10.219 3.153 ( 14.532 1.875 0.000) 14.653 3.506 ( 2.056 0.068 0.000) 2.057 3.682 ( 6.963 4.128 0.000) 8.095 4.046 ( 6.102 -1.500 0.000) 6.284 4.510 ( 7.407 3.080 0.000) 8.022 4.631 ( -26.907 1.356 0.000) 26.941 5.354 ( -13.539 -0.487 0.000) 13.548 5.363 ( -2.610 -0.149 0.000) 2.614 5.526 ( -19.165 -4.257 0.000) 19.632 6.002 ( 7.801 -4.595 0.000) 9.053 6.776 ( -9.780 -10.296 0.000) 14.200 7.749 ( 4.287 -2.717 0.000) 5.075 9.328 ( 7.641 -1.459 0.000) 7.779 9.837 ( 6.679 4.087 0.000) 7.830 10.306 ( -4.622 0.130 0.000) 4.624 10.590 ( -0.496 1.557 0.000) 1.634 10.741 ( -11.021 -0.677 0.000) 11.042 11.146 ( 4.820 0.622 0.000) 4.860 11.622 ( -2.260 1.131 0.000) 2.527 11.636 ( 4.568 -1.611 0.000) 4.844 13.416 ( 5.900 5.329 0.000) 7.951 14.030 ( 0.555 -4.275 0.000) 4.311 22.395 ( -11.527 2.275 0.000) 11.749 22.589 ( -4.519 -3.480 0.000) 5.704 23.560 ( 5.714 1.152 0.000) 5.829 24.000 ( -8.405 3.022 0.000) 8.932 25.637 ( 5.298 6.430 0.000) 8.331 26.113 ( -4.977 0.390 0.000) 4.992 26.489 ( 6.366 -3.996 0.000) 7.516 26.522 ( 4.343 -1.807 0.000) 4.704 ======================= Grid point 39 (28/144) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -6.706 -8.170 0.000) 10.570 1.691 ( 12.083 5.492 0.000) 13.273 1.886 ( -29.157 7.325 0.000) 30.063 2.187 ( -7.052 14.209 0.000) 15.863 2.382 ( -0.996 4.661 0.000) 4.766 2.626 ( -11.002 2.779 0.000) 11.347 3.327 ( 8.948 1.904 0.000) 9.148 3.489 ( 0.831 4.698 0.000) 4.771 3.703 ( 3.521 5.159 0.000) 6.246 4.197 ( 8.180 -1.470 0.000) 8.311 4.246 ( -21.786 -4.033 0.000) 22.156 4.516 ( -0.452 5.499 0.000) 5.518 4.973 ( -22.806 0.234 0.000) 22.807 5.327 ( -5.611 -6.023 0.000) 8.232 5.469 ( -1.025 -1.469 0.000) 1.792 6.160 ( 5.411 -3.879 0.000) 6.657 6.818 ( -4.970 -20.382 0.000) 20.979 7.859 ( 4.968 -3.418 0.000) 6.030 9.465 ( 7.339 -1.288 0.000) 7.451 9.888 ( 5.542 4.643 0.000) 7.230 10.214 ( -6.153 1.040 0.000) 6.240 10.564 ( -0.226 2.265 0.000) 2.276 10.576 ( -10.138 -1.133 0.000) 10.201 11.209 ( 3.926 0.871 0.000) 4.022 11.572 ( -2.050 1.722 0.000) 2.677 11.721 ( 3.514 -2.032 0.000) 4.059 13.435 ( 4.257 6.402 0.000) 7.688 14.091 ( 0.884 -4.699 0.000) 4.781 22.181 ( -11.991 1.131 0.000) 12.044 22.556 ( -3.180 -1.320 0.000) 3.443 23.615 ( 3.821 3.683 0.000) 5.307 23.851 ( -6.356 1.519 0.000) 6.535 25.630 ( 3.694 8.558 0.000) 9.321 26.043 ( -3.345 0.008 0.000) 3.345 26.608 ( 3.361 -2.543 0.000) 4.215 26.624 ( 5.277 -3.524 0.000) 6.346 ======================= Grid point 40 (29/144) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -36.497 3.319 0.000) 36.647 1.264 ( -0.983 -2.995 0.000) 3.152 1.810 ( 7.829 4.079 0.000) 8.828 1.985 ( 4.916 25.465 0.000) 25.935 2.268 ( -5.013 6.178 0.000) 7.956 2.373 ( -11.589 9.967 0.000) 15.286 3.343 ( 0.760 6.801 0.000) 6.844 3.553 ( 9.994 0.823 0.000) 10.028 3.739 ( 5.238 1.065 0.000) 5.345 4.017 ( -15.929 -9.929 0.000) 18.770 4.187 ( -11.655 -1.560 0.000) 11.759 4.466 ( 2.656 6.003 0.000) 6.565 4.791 ( 2.476 0.101 0.000) 2.478 5.252 ( -11.906 -3.281 0.000) 12.350 5.480 ( 0.755 -2.206 0.000) 2.332 6.247 ( 1.923 -1.654 0.000) 2.536 7.043 ( -0.478 -28.253 0.000) 28.257 7.972 ( 3.555 -4.457 0.000) 5.701 9.586 ( 6.213 -0.372 0.000) 6.224 9.917 ( 4.269 4.936 0.000) 6.526 10.090 ( -7.269 1.010 0.000) 7.339 10.454 ( -6.227 -1.525 0.000) 6.411 10.535 ( -0.049 2.789 0.000) 2.789 11.249 ( 2.213 1.171 0.000) 2.504 11.522 ( -1.320 2.410 0.000) 2.748 11.794 ( 2.412 -2.796 0.000) 3.692 13.417 ( 2.158 6.440 0.000) 6.792 14.152 ( 0.693 -4.066 0.000) 4.125 22.005 ( -7.797 1.055 0.000) 7.869 22.509 ( -2.784 1.124 0.000) 3.003 23.585 ( 0.256 7.514 0.000) 7.518 23.786 ( -1.799 -1.232 0.000) 2.180 25.575 ( 1.594 9.493 0.000) 9.626 26.005 ( -1.630 -0.410 0.000) 1.681 26.681 ( 1.889 -3.079 0.000) 3.612 26.732 ( 3.549 -3.059 0.000) 4.686 ======================= Grid point 41 (30/144) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -0.000 5.654 0.000) 5.654 1.251 ( -0.000 5.693 0.000) 5.693 1.740 ( -0.000 30.665 0.000) 30.665 1.814 ( -0.000 6.136 0.000) 6.136 2.119 ( -0.000 13.908 0.000) 13.908 2.181 ( 0.000 -0.608 0.000) 0.608 3.267 ( -0.000 8.452 0.000) 8.452 3.653 ( -0.000 1.949 0.000) 1.949 3.793 ( -0.000 0.860 0.000) 0.860 4.003 ( 0.000 -15.489 0.000) 15.489 4.077 ( 0.000 -2.462 0.000) 2.462 4.423 ( -0.000 4.955 0.000) 4.955 4.932 ( 0.000 -1.315 0.000) 1.315 5.051 ( -0.000 4.287 0.000) 4.287 5.533 ( 0.000 -5.912 0.000) 5.912 6.273 ( 0.000 -0.965 0.000) 0.965 7.361 ( 0.000 -29.640 0.000) 29.640 8.057 ( 0.000 -5.620 0.000) 5.620 9.634 ( -0.000 4.297 0.000) 4.297 9.903 ( -0.000 3.649 0.000) 3.649 10.018 ( 0.000 -1.847 0.000) 1.847 10.420 ( 0.000 -1.834 0.000) 1.834 10.503 ( -0.000 3.089 0.000) 3.089 11.252 ( -0.000 1.604 0.000) 1.604 11.481 ( -0.000 2.945 0.000) 2.945 11.852 ( 0.000 -3.496 0.000) 3.496 13.369 ( -0.000 5.779 0.000) 5.779 14.196 ( 0.000 -2.767 0.000) 2.767 21.925 ( -0.000 1.301 0.000) 1.301 22.458 ( -0.000 2.782 0.000) 2.782 23.495 ( -0.000 9.006 0.000) 9.006 23.789 ( 0.000 -1.474 0.000) 1.474 25.486 ( -0.000 8.961 0.000) 8.961 25.999 ( 0.000 -0.729 0.000) 0.729 26.731 ( 0.000 -3.237 0.000) 3.237 26.795 ( 0.000 -2.666 0.000) 2.666 ======================= Grid point 48 (31/144) ======================= q-point: ( 0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -16.412 -0.000 0.000) 16.412 1.632 ( 10.477 0.000 0.000) 10.477 2.284 ( 9.277 0.000 0.000) 9.277 2.455 ( 0.510 0.000 0.000) 0.510 2.635 ( -38.600 -0.000 0.000) 38.600 2.857 ( -8.689 -0.000 0.000) 8.689 3.178 ( 14.884 0.000 0.000) 14.884 3.493 ( 3.652 0.000 0.000) 3.652 3.729 ( 8.973 0.000 0.000) 8.973 4.008 ( 4.508 0.000 0.000) 4.508 4.554 ( 8.492 0.000 0.000) 8.492 4.658 ( -28.247 -0.000 0.000) 28.247 5.345 ( -7.687 -0.000 0.000) 7.687 5.371 ( -2.831 -0.000 0.000) 2.831 5.474 ( -25.341 -0.000 0.000) 25.341 5.942 ( 6.873 0.000 0.000) 6.873 6.662 ( -12.511 -0.000 0.000) 12.511 7.720 ( 4.862 0.000 0.000) 4.862 9.310 ( 7.637 0.000 0.000) 7.637 9.881 ( 6.078 0.000 0.000) 6.078 10.311 ( -3.648 -0.000 0.000) 3.648 10.608 ( -0.446 -0.000 0.000) 0.446 10.733 ( -11.115 -0.000 0.000) 11.115 11.153 ( 4.836 0.000 0.000) 4.836 11.616 ( 4.545 0.000 0.000) 4.545 11.635 ( -2.213 -0.000 0.000) 2.213 13.483 ( 6.416 0.000 0.000) 6.416 13.974 ( 0.094 0.000 0.000) 0.094 22.427 ( -14.439 -0.000 0.000) 14.439 22.546 ( -0.875 -0.000 0.000) 0.875 23.569 ( 5.888 0.000 0.000) 5.888 24.037 ( -9.124 -0.000 0.000) 9.124 25.718 ( 6.089 0.000 0.000) 6.089 26.118 ( -5.250 -0.000 0.000) 5.250 26.435 ( 6.702 0.000 0.000) 6.702 26.501 ( 4.306 0.000 0.000) 4.306 ======================= Grid point 50 (32/144) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -7.758 -4.790 0.000) 9.118 1.805 ( 12.336 3.440 0.000) 12.807 1.964 ( -41.615 1.488 0.000) 41.641 2.400 ( 6.735 4.006 0.000) 7.836 2.460 ( 1.289 2.123 0.000) 2.484 2.691 ( -9.005 3.017 0.000) 9.497 3.366 ( 9.060 1.455 0.000) 9.176 3.527 ( 0.461 -0.282 0.000) 0.541 3.829 ( 4.553 5.336 0.000) 7.015 4.106 ( 4.374 -5.025 0.000) 6.662 4.226 ( -23.548 0.873 0.000) 23.565 4.613 ( 0.691 2.670 0.000) 2.758 4.983 ( -24.773 0.408 0.000) 24.776 5.252 ( -4.642 -1.387 0.000) 4.845 5.436 ( 1.991 -1.133 0.000) 2.291 6.062 ( 5.725 -4.058 0.000) 7.017 6.515 ( -9.952 -6.867 0.000) 12.091 7.811 ( 5.338 -1.057 0.000) 5.442 9.434 ( 6.787 -1.002 0.000) 6.861 9.948 ( 3.107 1.112 0.000) 3.300 10.252 ( -2.748 1.580 0.000) 3.170 10.559 ( -10.209 -0.391 0.000) 10.216 10.598 ( -0.175 0.841 0.000) 0.859 11.222 ( 3.885 0.336 0.000) 3.899 11.598 ( -1.866 0.654 0.000) 1.978 11.683 ( 3.024 -1.107 0.000) 3.220 13.554 ( 4.782 3.783 0.000) 6.097 13.995 ( 0.338 -3.262 0.000) 3.279 22.198 ( -12.809 0.425 0.000) 12.816 22.542 ( -0.289 -0.256 0.000) 0.387 23.652 ( 4.473 0.454 0.000) 4.495 23.890 ( -7.694 1.324 0.000) 7.807 25.785 ( 4.998 4.641 0.000) 6.820 26.045 ( -3.622 0.092 0.000) 3.623 26.546 ( 5.070 -2.708 0.000) 5.748 26.568 ( 3.204 -1.036 0.000) 3.367 ======================= Grid point 51 (33/144) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -1.205 -8.530 0.000) 8.615 1.300 ( -35.923 1.631 0.000) 35.960 1.933 ( 9.056 5.713 0.000) 10.708 2.407 ( 4.879 12.946 0.000) 13.834 2.425 ( -0.820 6.694 0.000) 6.744 2.529 ( -6.001 4.635 0.000) 7.583 3.439 ( 2.853 2.234 0.000) 3.624 3.545 ( 2.027 -2.131 0.000) 2.941 3.801 ( 1.157 4.417 0.000) 4.566 3.911 ( -14.560 0.370 0.000) 14.565 4.144 ( -7.247 -1.916 0.000) 7.496 4.563 ( -1.664 2.970 0.000) 3.405 4.751 ( -3.503 -3.554 0.000) 4.990 5.207 ( -3.215 -0.286 0.000) 3.228 5.468 ( 0.831 -0.042 0.000) 0.832 6.197 ( 4.382 -3.487 0.000) 5.600 6.512 ( -5.912 -18.534 0.000) 19.454 7.903 ( 3.607 -2.063 0.000) 4.155 9.543 ( 4.392 -2.272 0.000) 4.945 9.969 ( 0.774 0.194 0.000) 0.798 10.180 ( -1.743 5.479 0.000) 5.749 10.429 ( -6.238 -0.794 0.000) 6.288 10.583 ( -0.029 1.637 0.000) 1.638 11.267 ( 2.181 0.575 0.000) 2.256 11.563 ( -1.079 1.365 0.000) 1.740 11.738 ( 1.597 -2.191 0.000) 2.711 13.558 ( 2.413 6.123 0.000) 6.582 14.048 ( 0.401 -5.079 0.000) 5.095 22.023 ( -7.662 0.631 0.000) 7.688 22.534 ( -0.353 0.972 0.000) 1.035 23.693 ( 1.690 2.361 0.000) 2.903 23.779 ( -3.653 0.739 0.000) 3.727 25.776 ( 2.584 8.350 0.000) 8.741 26.001 ( -1.805 -0.051 0.000) 1.806 26.625 ( 1.742 -2.016 0.000) 2.665 26.649 ( 2.900 -4.113 0.000) 5.032 ======================= Grid point 52 (34/144) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -0.000 3.106 0.000) 3.106 1.195 ( 0.000 -8.325 0.000) 8.325 1.951 ( -0.000 6.268 0.000) 6.268 2.292 ( -0.000 19.471 0.000) 19.471 2.306 ( -0.000 10.064 0.000) 10.064 2.379 ( -0.000 9.788 0.000) 9.788 3.419 ( -0.000 5.369 0.000) 5.369 3.687 ( 0.000 -13.244 0.000) 13.244 3.729 ( -0.000 5.031 0.000) 5.031 3.805 ( -0.000 0.317 0.000) 0.317 4.037 ( -0.000 0.471 0.000) 0.471 4.512 ( -0.000 3.199 0.000) 3.199 4.838 ( 0.000 -7.263 0.000) 7.263 5.142 ( -0.000 3.880 0.000) 3.880 5.473 ( 0.000 -0.351 0.000) 0.351 6.250 ( 0.000 -1.107 0.000) 1.107 6.727 ( 0.000 -27.735 0.000) 27.735 7.962 ( 0.000 -3.226 0.000) 3.226 9.613 ( 0.000 -3.250 0.000) 3.250 9.983 ( 0.000 -1.356 0.000) 1.356 10.079 ( -0.000 9.375 0.000) 9.375 10.387 ( 0.000 -1.173 0.000) 1.173 10.562 ( -0.000 2.305 0.000) 2.305 11.278 ( -0.000 0.828 0.000) 0.828 11.536 ( -0.000 2.040 0.000) 2.040 11.780 ( 0.000 -3.032 0.000) 3.032 13.507 ( -0.000 6.781 0.000) 6.781 14.108 ( 0.000 -5.113 0.000) 5.113 21.950 ( -0.000 0.988 0.000) 0.988 22.512 ( -0.000 2.124 0.000) 2.124 23.652 ( -0.000 5.455 0.000) 5.455 23.763 ( 0.000 -0.896 0.000) 0.896 25.696 ( -0.000 10.019 0.000) 10.019 25.988 ( 0.000 -0.261 0.000) 0.261 26.665 ( 0.000 -2.757 0.000) 2.757 26.719 ( 0.000 -4.250 0.000) 4.250 ======================= Grid point 61 (35/144) ======================= q-point: ( 0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -1.322 -0.000 0.000) 1.322 1.318 ( -35.735 -0.000 0.000) 35.735 2.001 ( 8.626 0.000 0.000) 8.626 2.503 ( 2.041 0.000 0.000) 2.041 2.529 ( 5.563 0.000 0.000) 5.563 2.589 ( -5.432 -0.000 0.000) 5.432 3.455 ( 0.800 0.000 0.000) 0.800 3.514 ( -1.219 -0.000 0.000) 1.219 3.867 ( -4.418 -0.000 0.000) 4.418 3.940 ( -11.405 -0.000 0.000) 11.405 4.120 ( 2.090 0.000 0.000) 2.090 4.595 ( -3.162 -0.000 0.000) 3.162 4.697 ( -9.621 -0.000 0.000) 9.621 5.212 ( -0.467 -0.000 0.000) 0.467 5.467 ( 1.866 0.000 0.000) 1.866 6.121 ( 5.217 0.000 0.000) 5.217 6.332 ( -8.051 -0.000 0.000) 8.051 7.881 ( 3.615 0.000 0.000) 3.615 9.516 ( 3.901 0.000 0.000) 3.901 9.967 ( -0.492 -0.000 0.000) 0.492 10.246 ( 0.082 0.000 0.000) 0.082 10.420 ( -6.235 -0.000 0.000) 6.235 10.601 ( -0.024 -0.000 0.000) 0.024 11.274 ( 2.151 0.000 0.000) 2.151 11.578 ( -1.025 -0.000 0.000) 1.025 11.712 ( 1.438 0.000 0.000) 1.438 13.638 ( 2.647 0.000 0.000) 2.647 13.979 ( 0.131 0.000 0.000) 0.131 22.030 ( -7.608 -0.000 0.000) 7.608 22.545 ( 0.341 0.000 0.000) 0.341 23.710 ( 2.440 0.000 0.000) 2.440 23.795 ( -4.638 -0.000 0.000) 4.638 25.878 ( 2.991 0.000 0.000) 2.991 26.001 ( -1.878 -0.000 0.000) 1.878 26.595 ( 2.757 0.000 0.000) 2.757 26.602 ( 1.697 0.000 0.000) 1.697 ======================= Grid point 63 (36/144) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.000 1.021 0.000) 1.021 1.024 ( 0.000 -5.255 0.000) 5.255 2.058 ( -0.000 3.013 0.000) 3.013 2.493 ( -0.000 5.385 0.000) 5.385 2.523 ( -0.000 3.473 0.000) 3.473 2.553 ( -0.000 5.425 0.000) 5.425 3.475 ( 0.000 -5.592 0.000) 5.592 3.493 ( -0.000 1.614 0.000) 1.614 3.809 ( -0.000 0.069 0.000) 0.069 3.837 ( -0.000 3.672 0.000) 3.672 4.110 ( -0.000 4.454 0.000) 4.454 4.558 ( -0.000 1.061 0.000) 1.061 4.670 ( 0.000 -6.343 0.000) 6.343 5.203 ( -0.000 1.566 0.000) 1.566 5.480 ( -0.000 0.433 0.000) 0.433 6.231 ( 0.000 -0.481 0.000) 0.481 6.269 ( 0.000 -12.490 0.000) 12.490 7.917 ( 0.000 -1.002 0.000) 1.002 9.557 ( 0.000 -1.538 0.000) 1.538 9.962 ( 0.000 -0.499 0.000) 0.499 10.229 ( -0.000 3.845 0.000) 3.845 10.370 ( 0.000 -0.396 0.000) 0.396 10.597 ( -0.000 0.853 0.000) 0.853 11.290 ( -0.000 0.292 0.000) 0.292 11.566 ( -0.000 0.723 0.000) 0.723 11.731 ( 0.000 -1.296 0.000) 1.296 13.635 ( -0.000 4.195 0.000) 4.195 14.002 ( 0.000 -3.722 0.000) 3.722 21.965 ( -0.000 0.367 0.000) 0.367 22.544 ( -0.000 0.792 0.000) 0.792 23.724 ( -0.000 1.275 0.000) 1.275 23.754 ( -0.000 0.146 0.000) 0.146 25.874 ( -0.000 5.243 0.000) 5.243 25.986 ( 0.000 -0.024 0.000) 0.024 26.622 ( 0.000 -1.097 0.000) 1.097 26.634 ( 0.000 -2.859 0.000) 2.859 ======================= Grid point 125 (37/144) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 0.000 0.000 21.794) 21.794 0.522 ( 0.000 0.000 25.542) 25.542 0.796 ( 0.000 0.000 39.122) 39.122 1.529 ( 0.000 0.000 3.292) 3.292 1.567 ( 0.000 0.000 -3.100) 3.100 2.503 ( 0.000 0.000 -14.318) 14.318 2.818 ( 0.000 0.000 -2.565) 2.565 3.726 ( 0.000 0.000 -10.845) 10.845 3.830 ( 0.000 0.000 -11.844) 11.844 3.917 ( 0.000 0.000 8.748) 8.748 4.119 ( 0.000 0.000 5.120) 5.120 4.498 ( 0.000 0.000 -3.214) 3.214 4.832 ( 0.000 0.000 -6.777) 6.777 5.010 ( 0.000 0.000 24.299) 24.299 5.521 ( 0.000 0.000 -8.653) 8.653 6.284 ( 0.000 0.000 -0.138) 0.138 8.355 ( 0.000 0.000 2.955) 2.955 8.837 ( 0.000 0.000 -5.352) 5.352 9.227 ( 0.000 0.000 7.374) 7.374 10.000 ( 0.000 0.000 -3.753) 3.753 10.118 ( 0.000 0.000 1.077) 1.077 10.349 ( 0.000 0.000 -0.986) 0.986 10.557 ( 0.000 0.000 3.638) 3.638 10.977 ( 0.000 0.000 0.607) 0.607 11.126 ( 0.000 0.000 -1.050) 1.050 11.290 ( 0.000 0.000 -4.395) 4.395 14.187 ( 0.000 0.000 1.610) 1.610 14.401 ( 0.000 0.000 -0.786) 0.786 21.891 ( 0.000 0.000 2.187) 2.187 22.312 ( 0.000 0.000 -2.443) 2.443 23.041 ( 0.000 0.000 0.827) 0.827 23.232 ( 0.000 0.000 -1.231) 1.231 25.203 ( 0.000 0.000 0.724) 0.724 25.422 ( 0.000 0.000 -1.976) 1.976 26.887 ( 0.000 0.000 3.207) 3.207 27.313 ( 0.000 0.000 -1.737) 1.737 ======================= Grid point 126 (38/144) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 11.526 8.534 14.414) 20.334 0.649 ( 9.516 -13.209 16.564) 23.225 1.220 ( 34.509 -3.229 27.037) 43.958 1.629 ( 6.536 -1.584 -1.613) 6.915 1.969 ( 33.659 3.126 -8.491) 34.854 2.464 ( -1.043 3.344 -10.725) 11.282 2.810 ( -2.803 -3.416 -4.117) 6.039 3.704 ( -7.484 8.624 9.884) 15.102 3.755 ( 1.435 -1.130 -16.131) 16.234 3.839 ( -0.209 -0.442 -1.313) 1.401 4.038 ( -2.669 -3.297 13.600) 14.246 4.603 ( 6.838 -3.529 -3.794) 8.579 5.021 ( 3.655 2.940 21.426) 21.934 5.345 ( 26.218 11.527 -20.506) 35.225 5.654 ( 9.652 -10.672 -23.502) 27.557 6.286 ( -0.130 0.299 -1.026) 1.076 8.274 ( -7.684 3.537 2.340) 8.777 8.545 ( -14.798 11.861 3.828) 19.347 9.195 ( -3.032 -2.109 6.380) 7.372 9.968 ( -3.227 1.314 -3.499) 4.938 10.255 ( 11.054 5.400 -5.299) 13.395 10.357 ( 0.441 -0.803 -1.075) 1.413 10.618 ( 7.553 2.091 4.240) 8.910 11.109 ( -4.560 -10.151 -3.383) 11.631 11.136 ( 0.380 -13.566 -7.308) 15.414 11.332 ( 4.297 -0.938 -3.987) 5.936 13.836 ( -28.003 10.471 28.477) 41.288 14.177 ( -2.097 -1.182 1.255) 2.714 21.961 ( 7.989 -0.539 2.550) 8.403 22.875 ( 28.365 21.033 -16.145) 38.828 23.076 ( 6.543 3.319 -0.180) 7.339 23.578 ( 26.465 -18.978 -30.957) 44.932 25.218 ( 1.116 -1.442 0.525) 1.898 25.511 ( -0.047 -14.680 -9.426) 17.446 26.851 ( -3.617 2.599 3.952) 5.954 26.998 ( -21.131 3.020 17.402) 27.541 ======================= Grid point 127 (39/144) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 17.273 -1.862 1.535) 17.441 0.997 ( 15.971 -10.994 7.114) 20.653 1.664 ( 11.314 3.081 0.202) 11.728 1.933 ( 31.513 -6.651 16.008) 35.966 2.335 ( 5.910 4.054 -8.389) 11.033 2.527 ( 24.472 2.692 -4.612) 25.048 2.834 ( 0.678 -6.283 -5.718) 8.522 3.491 ( -11.321 5.300 7.885) 14.779 3.734 ( -6.982 -1.576 -10.116) 12.392 3.808 ( -2.353 2.644 5.582) 6.609 4.090 ( 1.814 -7.435 6.539) 10.066 4.810 ( 15.225 0.922 1.683) 15.346 5.080 ( 8.311 3.024 11.355) 14.393 5.514 ( 11.670 3.391 -7.465) 14.262 5.821 ( 5.545 4.195 -20.740) 21.874 6.255 ( -3.056 0.986 -2.394) 4.006 8.026 ( -13.955 9.033 1.578) 16.698 8.253 ( -10.373 5.486 0.279) 11.738 9.175 ( -2.940 -2.992 5.178) 6.664 9.874 ( -5.529 2.699 -2.878) 6.792 10.336 ( 6.382 4.177 -3.760) 8.504 10.382 ( 1.725 -0.825 -1.680) 2.546 10.736 ( 9.708 2.266 4.653) 11.001 11.088 ( -3.893 -2.962 -0.544) 4.922 11.295 ( -2.308 -14.957 -9.718) 17.985 11.430 ( 6.057 -0.852 -3.034) 6.827 13.479 ( -11.400 2.657 20.824) 23.889 14.151 ( -3.089 -1.823 0.030) 3.587 22.138 ( 12.608 -0.195 3.171) 13.002 22.935 ( 3.923 6.154 -4.763) 8.715 23.151 ( 6.343 2.246 0.003) 6.729 23.986 ( 17.391 8.043 -22.253) 29.365 25.265 ( 2.224 -1.724 0.351) 2.836 25.686 ( 1.199 -14.575 -16.004) 21.680 26.668 ( -10.909 0.727 15.617) 19.064 26.811 ( -6.266 -0.168 5.720) 8.486 ======================= Grid point 128 (40/144) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 13.773 -6.205 -0.158) 15.107 1.360 ( 16.748 -4.860 5.191) 18.195 1.695 ( 0.760 4.461 -4.315) 6.253 2.298 ( -1.333 3.009 -7.140) 7.862 2.538 ( 32.436 -5.212 8.277) 33.879 2.939 ( 17.509 -3.452 -5.697) 18.734 3.019 ( 17.845 -4.513 0.623) 18.418 3.221 ( -15.089 4.317 6.933) 17.157 3.562 ( -13.232 0.450 1.399) 13.314 3.741 ( -1.985 3.023 3.689) 5.166 4.218 ( 1.998 -8.839 1.240) 9.146 5.005 ( 11.932 3.671 9.499) 15.687 5.217 ( 7.878 -0.847 -2.165) 8.214 5.718 ( 17.490 3.121 -5.405) 18.571 5.792 ( 0.166 6.653 -10.222) 12.197 6.167 ( -6.204 1.393 -3.992) 7.508 7.684 ( -14.395 10.100 2.110) 17.711 8.061 ( -8.238 2.778 -1.664) 8.852 9.166 ( -2.623 -3.882 4.220) 6.305 9.740 ( -6.666 3.431 -2.203) 7.814 10.383 ( 3.037 0.884 -2.417) 3.981 10.432 ( 3.981 0.566 -2.587) 4.781 10.870 ( 8.788 1.326 3.898) 9.705 11.059 ( -2.939 -2.330 0.834) 3.842 11.387 ( -2.092 -9.185 -7.311) 11.925 11.531 ( 5.363 -0.314 -2.058) 5.753 13.330 ( -6.174 0.619 13.773) 15.107 14.121 ( -3.022 -1.972 -1.314) 3.840 22.343 ( 12.590 0.935 3.146) 13.011 22.922 ( 0.172 2.045 -2.806) 3.477 23.235 ( 4.692 -1.340 0.912) 4.964 24.074 ( 8.008 10.348 -10.687) 16.894 25.316 ( 1.786 -1.590 0.505) 2.444 25.845 ( 2.568 -9.314 -15.688) 18.425 26.546 ( -5.356 -1.398 10.955) 12.274 26.711 ( -6.123 0.205 4.796) 7.780 ======================= Grid point 129 (41/144) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 8.555 -5.769 -0.110) 10.319 1.458 ( -2.287 8.078 6.104) 10.380 1.809 ( 16.549 -1.545 -0.720) 16.637 2.253 ( -1.603 0.333 -6.360) 6.567 2.905 ( -17.719 2.020 4.762) 18.459 3.046 ( 20.036 -7.020 -4.296) 21.661 3.196 ( 8.932 -3.925 0.895) 9.798 3.330 ( 3.899 4.088 0.817) 5.708 3.424 ( 10.633 -0.383 2.215) 10.868 3.690 ( -2.066 -1.295 6.542) 6.981 4.315 ( -1.104 -6.837 0.818) 6.974 5.144 ( 10.205 3.907 3.786) 11.564 5.305 ( 2.959 -0.816 -3.668) 4.783 5.686 ( -2.674 5.222 -2.972) 6.577 5.980 ( 5.764 3.070 -5.637) 8.627 6.051 ( 3.122 1.169 -2.377) 4.094 7.383 ( -10.315 7.331 3.714) 13.189 7.929 ( -5.426 1.310 -2.639) 6.175 9.175 ( -1.633 -4.144 3.176) 5.470 9.597 ( -5.960 3.558 -1.461) 7.094 10.419 ( 1.793 -0.273 -2.207) 2.856 10.487 ( 3.473 0.751 -2.505) 4.347 10.961 ( 2.047 -0.469 1.044) 2.345 11.065 ( 2.583 -0.459 4.748) 5.424 11.430 ( -1.723 -4.931 -6.414) 8.272 11.603 ( 3.324 0.070 -1.241) 3.549 13.248 ( -3.664 0.076 10.239) 10.875 14.098 ( -2.097 -1.504 -2.397) 3.522 22.505 ( 8.792 1.536 2.393) 9.240 22.902 ( -0.717 0.551 -2.068) 2.257 23.324 ( 3.273 -2.801 1.862) 4.693 24.065 ( 3.528 7.451 -5.753) 10.053 25.354 ( 0.950 -1.216 0.550) 1.639 25.966 ( 2.844 -4.876 -14.190) 15.271 26.502 ( -2.105 -0.486 6.113) 6.484 26.619 ( -5.171 -0.713 6.241) 8.136 ======================= Grid point 130 (42/144) ======================= q-point: ( 0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.548 -1.910 6.541) 6.988 1.348 ( 2.054 4.170 4.340) 6.359 2.057 ( 9.386 1.027 0.422) 9.451 2.277 ( 4.835 -2.657 -2.174) 5.930 2.608 ( -14.739 1.807 0.297) 14.852 3.148 ( -3.257 -0.323 -2.680) 4.230 3.368 ( 2.361 -2.969 -4.080) 5.571 3.425 ( 9.121 -5.082 2.961) 10.853 3.548 ( 5.298 9.976 1.610) 11.409 3.773 ( 4.318 -6.491 2.801) 8.284 4.317 ( -3.196 -1.503 2.742) 4.471 5.210 ( 1.808 1.262 -7.646) 7.958 5.399 ( 7.212 0.015 2.925) 7.783 5.609 ( -1.997 1.583 0.471) 2.591 5.834 ( -7.853 1.668 -1.075) 8.100 6.219 ( 7.220 0.711 -4.014) 8.292 7.216 ( -3.581 2.561 4.647) 6.401 7.860 ( -1.888 0.349 -3.115) 3.659 9.196 ( -0.379 -2.228 2.379) 3.281 9.492 ( -2.632 1.951 -0.846) 3.384 10.443 ( 0.687 -0.219 -2.265) 2.377 10.521 ( 1.315 0.326 -2.224) 2.605 10.970 ( -0.485 -0.539 0.187) 0.749 11.119 ( 2.354 0.158 6.733) 7.134 11.443 ( -0.769 -1.570 -6.621) 6.848 11.637 ( 1.073 0.097 -0.795) 1.339 13.208 ( -1.278 -0.016 8.778) 8.871 14.086 ( -0.738 -0.560 -2.991) 3.131 22.589 ( 3.087 0.745 1.696) 3.600 22.890 ( -0.379 0.080 -1.774) 1.816 23.387 ( 1.250 -1.436 2.433) 3.089 24.044 ( 0.986 2.772 -3.908) 4.891 25.373 ( 0.281 -0.463 0.524) 0.753 26.036 ( 1.382 -1.565 -13.901) 14.057 26.476 ( -0.867 0.518 3.558) 3.699 26.571 ( -1.847 -0.929 7.993) 8.256 ======================= Grid point 137 (43/144) ======================= q-point: ( 0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 13.048 0.000 10.826) 16.954 0.849 ( 23.971 0.000 2.795) 24.133 1.725 ( 5.938 0.000 0.511) 5.960 1.826 ( 39.067 0.000 20.312) 44.032 2.391 ( 6.090 0.000 -9.811) 11.548 2.565 ( 22.210 0.000 -9.952) 24.337 2.758 ( -0.405 -0.000 -6.000) 6.014 3.573 ( -13.070 -0.000 11.071) 17.129 3.721 ( -7.156 -0.000 -9.682) 12.039 3.836 ( 1.746 0.000 -0.002) 1.746 4.008 ( 1.049 0.000 12.385) 12.430 4.814 ( 16.595 0.000 -0.931) 16.621 5.119 ( 6.380 0.000 13.103) 14.573 5.570 ( 6.257 0.000 -7.746) 9.957 5.847 ( 10.053 0.000 -28.076) 29.821 6.266 ( -3.051 -0.000 -2.391) 3.876 8.127 ( -12.679 -0.000 1.213) 12.737 8.321 ( -17.019 -0.000 1.649) 17.098 9.154 ( -1.604 -0.000 4.820) 5.080 9.905 ( -5.440 -0.000 -3.130) 6.276 10.361 ( 0.696 0.000 -0.897) 1.135 10.424 ( 5.627 0.000 -10.202) 11.651 10.806 ( 10.365 0.000 5.385) 11.680 10.952 ( -1.158 -0.000 0.609) 1.308 11.118 ( 1.262 0.000 -2.695) 2.976 11.421 ( 6.754 0.000 -3.054) 7.413 13.515 ( -14.833 -0.000 22.300) 26.782 14.126 ( -3.285 -0.000 0.271) 3.297 22.137 ( 13.523 0.000 3.514) 13.972 22.944 ( -3.822 -0.000 -1.318) 4.043 23.270 ( 2.008 0.000 -1.512) 2.514 24.147 ( 29.637 0.000 -50.386) 58.456 25.271 ( 6.987 0.000 -3.583) 7.852 25.417 ( -0.121 -0.000 -1.789) 1.793 26.676 ( -15.337 -0.000 25.606) 29.847 26.805 ( -4.832 -0.000 2.963) 5.669 ======================= Grid point 138 (44/144) ======================= q-point: ( 0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 16.216 0.854 3.865) 16.692 1.270 ( 24.679 -2.685 -0.265) 24.826 1.771 ( 0.839 2.082 1.801) 2.877 2.366 ( 0.371 2.318 -8.483) 8.802 2.454 ( 32.431 -2.098 12.089) 34.674 2.823 ( 6.348 -4.308 -4.957) 9.134 2.982 ( 22.210 -0.275 -5.223) 22.818 3.326 ( -12.447 3.813 9.537) 16.137 3.558 ( -12.249 -0.337 0.160) 12.254 3.846 ( 0.950 2.944 -0.853) 3.209 4.061 ( 2.421 -3.420 7.818) 8.870 5.051 ( 12.806 0.701 5.316) 13.884 5.210 ( 4.460 0.046 0.536) 4.492 5.760 ( 17.753 1.073 -5.816) 18.712 5.886 ( -2.378 1.870 -13.163) 13.507 6.186 ( -6.270 0.437 -3.831) 7.361 7.863 ( -15.706 5.851 0.427) 16.766 8.071 ( -13.793 -1.227 -1.249) 13.903 9.130 ( -1.323 -0.092 4.645) 4.831 9.798 ( -6.463 1.574 -2.338) 7.051 10.377 ( 0.953 -0.453 -1.035) 1.478 10.483 ( 4.376 2.635 -7.480) 9.058 10.908 ( 5.970 2.526 3.449) 7.343 10.994 ( 0.343 -4.146 2.774) 5.000 11.193 ( 3.043 -6.248 -3.517) 7.789 11.531 ( 6.336 0.072 -2.061) 6.663 13.348 ( -6.566 0.678 14.151) 15.615 14.078 ( -3.491 -1.418 -0.935) 3.882 22.367 ( 14.625 0.902 3.930) 15.170 22.885 ( -4.899 -2.497 -0.510) 5.522 23.287 ( 2.944 2.807 -1.372) 4.294 24.342 ( 7.644 11.144 -24.275) 27.783 25.340 ( 4.959 5.057 -1.351) 7.211 25.573 ( 6.106 -14.768 -12.374) 20.211 26.512 ( -6.595 -1.182 19.362) 20.489 26.713 ( -6.416 0.044 3.107) 7.129 ======================= Grid point 139 (45/144) ======================= q-point: ( 0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 15.011 1.123 -0.740) 15.071 1.622 ( 10.304 5.561 5.623) 12.989 1.769 ( 10.468 -1.274 -1.155) 10.609 2.295 ( -3.085 3.064 -8.918) 9.921 2.922 ( 13.284 -2.501 -2.328) 13.716 2.945 ( -13.666 0.482 5.918) 14.900 3.088 ( 19.018 -6.700 6.244) 21.108 3.356 ( -5.915 0.431 1.355) 6.084 3.404 ( 11.484 1.309 0.933) 11.595 3.827 ( 4.226 7.294 2.278) 8.732 4.132 ( -1.038 -7.504 4.028) 8.579 5.220 ( 8.989 2.757 3.595) 10.066 5.273 ( 3.991 -2.027 -3.775) 5.855 5.776 ( -6.887 2.728 -4.158) 8.495 6.034 ( 5.371 1.956 -5.253) 7.764 6.067 ( 2.168 0.323 -3.638) 4.247 7.539 ( -14.518 7.050 1.146) 16.180 7.903 ( -10.261 -3.341 -2.766) 11.140 9.120 ( -0.405 -0.914 4.445) 4.556 9.675 ( -5.317 3.050 -1.507) 6.312 10.400 ( 0.897 -0.928 -1.230) 1.783 10.520 ( 3.202 1.820 -5.158) 6.338 10.947 ( 0.433 -0.758 0.310) 0.926 11.061 ( 4.942 0.032 5.415) 7.332 11.304 ( 2.022 -5.969 -3.696) 7.307 11.612 ( 4.091 0.596 -1.354) 4.350 13.266 ( -2.695 1.211 9.897) 10.329 14.049 ( -2.675 -2.523 -2.043) 4.207 22.554 ( 10.112 2.861 2.983) 10.924 22.849 ( -3.840 -4.408 -0.269) 5.852 23.314 ( 3.056 0.988 -0.003) 3.212 24.282 ( 1.457 11.126 -11.235) 15.879 25.364 ( 3.250 2.546 0.037) 4.128 25.815 ( 6.946 -9.239 -14.883) 18.845 26.465 ( -1.981 -2.209 12.680) 13.022 26.605 ( -6.852 -0.374 3.828) 7.858 ======================= Grid point 140 (46/144) ======================= q-point: ( 0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 6.426 3.256 -1.111) 7.289 1.556 ( 2.845 11.685 9.522) 15.340 2.067 ( 12.539 -0.311 0.745) 12.565 2.238 ( 1.685 -0.519 -6.213) 6.458 2.651 ( -14.544 1.999 3.363) 15.061 3.090 ( -0.878 -4.174 -6.040) 7.395 3.297 ( 2.423 -2.658 1.076) 3.754 3.385 ( 8.997 1.599 2.319) 9.428 3.618 ( 8.002 -6.759 5.912) 12.028 3.816 ( 8.141 12.535 0.642) 14.960 4.195 ( -2.553 -9.290 2.960) 10.079 5.244 ( -0.579 1.226 -8.049) 8.162 5.415 ( 9.483 1.261 2.735) 9.949 5.644 ( -5.692 1.507 -0.300) 5.895 5.860 ( -11.561 0.769 -1.031) 11.632 6.231 ( 5.402 0.420 -4.230) 6.874 7.282 ( -9.402 3.702 2.797) 10.484 7.812 ( -6.110 -4.460 -3.377) 8.284 9.142 ( 1.365 -1.903 3.700) 4.379 9.574 ( -1.943 4.425 -0.961) 4.927 10.421 ( 0.082 -1.283 -1.428) 1.921 10.541 ( 1.158 1.133 -3.950) 4.270 10.961 ( 1.023 -0.196 0.443) 1.132 11.122 ( 2.024 0.165 6.598) 6.904 11.386 ( 2.039 -3.553 -5.161) 6.589 11.649 ( 1.439 0.866 -0.992) 1.950 13.230 ( 0.257 1.853 8.113) 8.326 14.046 ( -1.324 -2.854 -2.776) 4.196 22.619 ( 1.688 2.075 1.644) 3.140 22.853 ( -1.381 -3.215 -0.865) 3.605 23.363 ( 2.980 -0.644 1.907) 3.596 24.177 ( -1.068 8.484 -6.036) 10.466 25.388 ( 2.769 2.065 0.428) 3.481 25.985 ( 5.475 -3.552 -14.095) 15.533 26.471 ( -1.087 -1.051 5.265) 5.478 26.521 ( -3.984 -2.895 7.744) 9.178 ======================= Grid point 141 (47/144) ======================= q-point: ( 0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.770 3.413 7.029) 7.851 1.516 ( 6.411 13.279 3.407) 15.134 2.031 ( -10.889 -1.271 1.279) 11.037 2.331 ( -1.479 2.186 0.636) 2.715 2.585 ( 13.041 -0.164 -2.841) 13.348 3.101 ( -0.594 -3.875 -0.773) 3.995 3.376 ( 2.207 -1.729 -2.150) 3.533 3.434 ( -1.071 -0.479 0.784) 1.411 3.555 ( -13.243 4.694 0.241) 14.053 3.909 ( 7.716 6.723 1.563) 10.353 4.261 ( 2.324 -6.342 2.963) 7.375 5.205 ( -3.381 0.806 -8.324) 9.020 5.420 ( -7.544 1.925 3.286) 8.451 5.585 ( -1.706 -0.602 1.076) 2.105 5.787 ( 4.074 -2.803 -0.864) 5.020 6.202 ( -9.099 -0.840 -3.729) 9.869 7.170 ( -2.958 -1.632 4.420) 5.564 7.798 ( -2.054 -5.033 -3.123) 6.269 9.201 ( 3.256 -1.426 2.767) 4.504 9.528 ( 2.574 4.617 -0.895) 5.361 10.425 ( -1.550 -1.420 -1.661) 2.679 10.532 ( -0.811 0.972 -3.322) 3.555 10.984 ( 1.887 0.814 0.648) 2.155 11.114 ( -2.781 -0.254 6.964) 7.503 11.451 ( 3.175 -0.793 -6.172) 6.986 11.644 ( -0.773 0.727 -0.958) 1.430 13.233 ( 2.782 2.232 7.886) 8.655 14.065 ( 0.124 -2.413 -2.995) 3.848 22.586 ( -3.718 0.469 1.287) 3.962 22.855 ( -2.511 -2.764 -1.815) 4.152 23.411 ( 2.433 0.597 2.815) 3.769 24.073 ( -2.778 4.865 -3.840) 6.792 25.406 ( 2.392 2.640 0.637) 3.619 26.062 ( 2.122 0.846 -12.929) 13.130 26.449 ( -1.384 -1.963 3.396) 4.159 26.549 ( 1.630 -2.767 7.394) 8.061 ======================= Grid point 142 (48/144) ======================= q-point: (-0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 4.450 -1.128 4.465) 6.404 1.428 ( 1.996 15.409 0.526) 15.546 1.818 ( -15.423 -0.546 3.822) 15.899 2.282 ( 0.393 2.615 -4.074) 4.857 2.865 ( 17.295 -1.445 1.247) 17.400 3.136 ( -8.199 -7.049 0.544) 10.826 3.180 ( -23.454 3.054 3.708) 23.941 3.336 ( -6.306 6.617 -5.846) 10.851 3.430 ( 3.863 0.604 -0.638) 3.962 3.858 ( 1.123 10.476 4.583) 11.489 4.375 ( 3.322 -1.547 -0.456) 3.693 5.076 ( -12.190 -1.799 3.539) 12.820 5.313 ( -2.635 0.172 -3.304) 4.230 5.578 ( -2.717 -4.347 -0.777) 5.185 5.903 ( -5.985 -4.021 -6.000) 9.380 6.019 ( -4.929 -1.697 -0.892) 5.289 7.223 ( 3.408 -7.632 5.187) 9.837 7.850 ( 1.272 -5.569 -2.437) 6.210 9.260 ( 4.252 2.368 2.342) 5.402 9.566 ( 6.245 1.696 -1.271) 6.595 10.399 ( -3.616 -1.579 -1.836) 4.352 10.498 ( -1.797 1.228 -3.022) 3.724 10.970 ( -4.421 0.512 3.235) 5.502 11.077 ( 0.245 0.478 3.661) 3.700 11.501 ( 3.659 1.842 -6.667) 7.825 11.611 ( -2.374 0.674 -1.354) 2.814 13.270 ( 4.575 2.105 9.006) 10.318 14.099 ( 1.410 -1.509 -2.654) 3.363 22.491 ( -7.713 0.185 1.595) 7.879 22.835 ( -4.798 -4.704 -2.391) 7.132 23.416 ( 1.462 4.494 2.601) 5.394 23.989 ( -4.110 0.286 -3.277) 5.265 25.406 ( 1.724 3.599 0.800) 4.070 26.045 ( -0.969 3.024 -10.950) 11.401 26.482 ( 2.118 -2.186 2.512) 3.947 26.614 ( 3.484 -1.577 5.779) 6.930 ======================= Grid point 143 (49/144) ======================= q-point: (-0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -5.507 17.438 -2.958) 18.524 1.447 ( 1.049 3.062 6.310) 7.092 1.611 ( -6.887 -2.185 -3.915) 8.217 2.271 ( -0.446 0.802 -4.390) 4.485 2.634 ( -34.240 2.689 2.738) 34.454 2.945 ( -23.023 -0.935 4.391) 23.457 3.139 ( 6.090 2.410 1.072) 6.637 3.194 ( 4.353 4.162 -1.249) 6.151 3.543 ( 11.063 -0.126 2.468) 11.336 3.802 ( 4.569 7.674 0.110) 8.932 4.363 ( -2.416 3.752 -1.483) 4.703 4.914 ( -11.664 -4.094 12.507) 17.585 5.241 ( -9.470 1.161 -3.844) 10.287 5.576 ( -6.880 -9.209 -6.851) 13.382 5.678 ( -14.288 -3.884 -4.454) 15.462 6.127 ( 6.260 -2.267 -3.933) 7.733 7.437 ( 8.871 -13.020 4.367) 16.349 7.956 ( 3.778 -6.501 -1.666) 7.701 9.287 ( 5.165 6.292 2.707) 8.579 9.678 ( 7.016 -1.551 -1.838) 7.417 10.343 ( -5.755 -2.039 -1.809) 6.368 10.454 ( -1.623 1.624 -2.787) 3.610 10.849 ( -9.439 -0.624 5.093) 10.744 11.103 ( 3.627 1.815 0.696) 4.115 11.521 ( 1.005 2.829 -5.851) 6.577 11.560 ( -0.830 2.745 -4.386) 5.240 13.334 ( 5.699 1.237 11.766) 13.132 14.140 ( 2.309 -0.480 -1.803) 2.969 22.337 ( -10.754 0.404 2.186) 10.981 22.798 ( -7.909 -7.111 -3.035) 11.060 23.364 ( 0.774 8.262 1.997) 8.535 23.932 ( -5.317 -3.310 -4.170) 7.525 25.383 ( 0.733 4.447 0.910) 4.598 25.983 ( -1.551 4.322 -10.461) 11.425 26.551 ( 4.241 -1.054 2.611) 5.090 26.697 ( 4.810 -1.391 5.003) 7.078 ======================= Grid point 144 (50/144) ======================= q-point: (-0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -10.186 19.353 -6.936) 22.943 1.266 ( -6.653 13.670 10.183) 18.298 1.612 ( -5.655 -2.150 -6.665) 9.001 2.024 ( -32.210 0.755 8.140) 33.232 2.277 ( -2.642 -0.716 -2.974) 4.042 2.515 ( -26.511 3.170 4.596) 27.093 3.000 ( -2.024 8.740 -5.930) 10.754 3.412 ( 11.851 -2.033 4.650) 12.892 3.742 ( 9.458 -2.583 6.645) 11.845 3.812 ( 4.036 5.056 -11.136) 12.879 4.258 ( -2.773 6.721 2.451) 7.673 4.762 ( -12.580 -3.252 9.016) 15.815 5.018 ( -13.520 -2.466 6.134) 15.050 5.462 ( -12.800 -1.431 -5.935) 14.181 5.654 ( -3.449 -10.529 -12.723) 16.871 6.226 ( 3.307 -1.703 -3.266) 4.950 7.760 ( 11.076 -15.720 2.686) 19.417 8.105 ( 4.950 -7.858 -0.696) 9.313 9.298 ( 5.753 7.943 3.435) 10.392 9.807 ( 5.646 -2.984 -2.354) 6.806 10.261 ( -7.389 -2.715 -1.407) 7.997 10.414 ( -1.020 1.708 -2.412) 3.127 10.703 ( -9.223 -0.975 5.148) 10.607 11.141 ( 3.456 2.259 -0.374) 4.146 11.457 ( -4.432 1.649 -3.047) 5.625 11.545 ( 4.670 7.757 -11.716) 14.807 13.433 ( 6.992 -1.128 16.908) 18.332 14.180 ( 2.518 0.444 -0.597) 2.626 22.149 ( -11.212 0.840 2.502) 11.519 22.719 ( -13.240 -9.065 -4.014) 16.540 23.276 ( 0.628 9.620 1.406) 9.742 23.874 ( -6.667 -3.184 -6.741) 10.001 25.337 ( -0.188 4.812 0.907) 4.900 25.906 ( -0.930 6.464 -12.051) 13.707 26.646 ( 6.106 -1.397 3.867) 7.361 26.797 ( 5.584 -1.641 5.437) 7.965 ======================= Grid point 145 (51/144) ======================= q-point: (-0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -8.335 19.119 -5.971) 21.694 0.955 ( -14.481 13.917 10.897) 22.850 1.342 ( -18.307 8.107 20.410) 28.591 1.674 ( -9.838 2.089 -1.634) 10.189 1.994 ( -24.364 7.318 4.647) 25.860 2.343 ( -0.838 -7.248 -7.277) 10.305 2.926 ( 2.281 6.911 -4.552) 8.584 3.581 ( 5.851 -2.345 3.952) 7.440 3.801 ( 0.503 2.987 -14.335) 14.652 3.840 ( -0.520 -0.382 -2.016) 2.116 4.158 ( 0.309 6.651 10.034) 12.042 4.653 ( 0.392 0.605 -2.423) 2.528 4.920 ( -5.215 -5.704 19.793) 21.248 5.210 ( -21.591 -2.421 -10.867) 24.293 5.696 ( -2.364 -5.101 -14.140) 15.216 6.272 ( 0.833 -0.940 -1.680) 2.098 8.093 ( 8.596 -14.436 2.355) 16.966 8.276 ( 4.056 -10.629 0.879) 11.411 9.301 ( 4.847 7.740 4.104) 10.013 9.916 ( 3.532 -3.237 -2.910) 5.606 10.167 ( -7.756 -2.879 -0.422) 8.284 10.385 ( -0.485 1.541 -1.930) 2.517 10.588 ( -5.817 -0.924 4.808) 7.604 11.160 ( 1.851 2.392 -0.794) 3.127 11.368 ( -3.455 2.324 -3.993) 5.769 11.524 ( 5.078 11.786 -18.217) 22.284 13.606 ( 9.341 -8.065 24.808) 27.708 14.208 ( 1.783 1.111 0.695) 2.213 21.979 ( -7.836 1.049 2.342) 8.246 22.544 ( -19.901 -7.554 -4.824) 21.826 23.186 ( 0.576 8.749 0.916) 8.815 23.770 ( -6.698 2.771 -10.913) 13.101 25.280 ( -0.442 4.390 0.839) 4.491 25.810 ( -0.188 10.001 -14.875) 17.926 26.770 ( 4.666 -3.961 3.498) 7.050 26.924 ( 7.670 -3.548 8.109) 11.712 ======================= Grid point 146 (52/144) ======================= q-point: (-0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -0.000 4.694 15.308) 16.012 0.621 ( -0.000 7.407 17.919) 19.390 1.040 ( -0.000 17.427 31.969) 36.410 1.559 ( -0.000 2.383 -2.783) 3.663 1.653 ( -0.000 8.279 3.850) 9.130 2.420 ( 0.000 -6.687 -9.490) 11.609 2.887 ( -0.000 5.269 -2.399) 5.790 3.662 ( 0.000 -6.021 6.246) 8.676 3.763 ( -0.000 3.203 -9.756) 10.269 3.823 ( 0.000 -0.722 -12.534) 12.555 4.115 ( -0.000 4.370 13.173) 13.878 4.770 ( -0.000 5.149 -13.603) 14.545 4.847 ( -0.000 1.319 -6.588) 6.719 4.951 ( 0.000 -5.025 24.473) 24.984 5.681 ( -0.000 3.823 -15.784) 16.240 6.282 ( 0.000 -0.252 -0.685) 0.730 8.284 ( 0.000 -7.316 2.583) 7.759 8.477 ( 0.000 -18.546 3.811) 18.934 9.276 ( -0.000 5.252 5.258) 7.432 9.981 ( 0.000 -2.466 -4.016) 4.712 10.104 ( 0.000 -1.188 1.175) 1.670 10.365 ( -0.000 1.329 -1.443) 1.961 10.547 ( 0.000 -0.752 4.225) 4.291 11.149 ( -0.000 2.145 -1.035) 2.381 11.313 ( -0.000 2.051 -4.420) 4.873 11.412 ( -0.000 19.511 -23.226) 30.333 13.891 ( 0.000 -23.379 28.153) 36.595 14.211 ( -0.000 1.193 1.773) 2.137 21.899 ( -0.000 0.760 2.236) 2.361 22.329 ( -0.000 1.488 -2.482) 2.893 23.109 ( -0.000 6.503 0.633) 6.533 23.615 ( -0.000 13.922 -14.962) 20.437 25.235 ( -0.000 3.099 0.780) 3.196 25.678 ( -0.000 14.564 -16.031) 21.658 26.848 ( 0.000 -3.477 2.917) 4.538 27.100 ( 0.000 -11.223 8.071) 13.824 ======================= Grid point 149 (53/144) ======================= q-point: ( 0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 16.105 0.000 -0.990) 16.136 1.669 ( 25.262 0.000 -1.774) 25.325 1.769 ( -1.447 -0.000 6.078) 6.248 2.340 ( -3.777 -0.000 -9.947) 10.640 2.918 ( 8.094 0.000 -3.590) 8.854 2.950 ( -2.693 -0.000 6.747) 7.265 2.975 ( 15.526 0.000 10.141) 18.544 3.363 ( -10.649 -0.000 3.028) 11.071 3.460 ( 18.452 0.000 -1.420) 18.506 3.837 ( -3.069 -0.000 -1.296) 3.331 4.100 ( 2.692 0.000 7.176) 7.665 5.241 ( 1.091 0.000 -5.128) 5.242 5.252 ( 11.703 0.000 4.670) 12.601 5.803 ( -7.917 -0.000 -4.275) 8.997 6.062 ( 16.532 0.000 -4.941) 17.255 6.064 ( -9.538 -0.000 -4.241) 10.438 7.641 ( -16.172 -0.000 -0.405) 16.177 7.839 ( -12.158 -0.000 -2.389) 12.390 9.116 ( -0.421 -0.000 4.758) 4.777 9.710 ( -5.115 -0.000 -1.449) 5.316 10.390 ( 0.838 0.000 -0.957) 1.271 10.545 ( 1.967 0.000 -7.326) 7.585 10.936 ( 0.719 0.000 0.857) 1.118 11.062 ( 5.521 0.000 5.426) 7.741 11.228 ( 4.572 0.000 -1.524) 4.819 11.620 ( 4.380 0.000 -1.389) 4.595 13.282 ( -2.187 -0.000 9.386) 9.638 14.017 ( -2.939 -0.000 -1.849) 3.472 22.599 ( 12.362 0.000 3.429) 12.829 22.783 ( -5.532 -0.000 0.212) 5.536 23.329 ( 1.438 0.000 -0.666) 1.585 24.428 ( -2.203 -0.000 -15.159) 15.318 25.435 ( 1.639 0.000 -1.075) 1.960 25.654 ( 13.512 0.000 -12.355) 18.309 26.438 ( -2.069 -0.000 14.813) 14.956 26.601 ( -7.310 -0.000 2.863) 7.850 ======================= Grid point 150 (54/144) ======================= q-point: ( 0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 9.166 1.828 -4.699) 10.461 1.756 ( 5.026 5.448 10.447) 12.810 2.051 ( 17.775 -0.718 0.201) 17.791 2.251 ( -4.061 1.033 -7.739) 8.800 2.684 ( -13.832 0.866 4.950) 14.716 3.016 ( 1.007 -1.992 -5.230) 5.687 3.268 ( 0.765 -0.280 5.066) 5.131 3.394 ( 18.707 -2.681 4.408) 19.405 3.613 ( 4.513 9.061 2.619) 10.456 3.881 ( 3.253 -11.641 -1.032) 12.131 4.090 ( -1.002 4.136 4.065) 5.885 5.249 ( -0.275 -0.435 -7.145) 7.164 5.443 ( 11.741 0.962 1.886) 11.931 5.667 ( -7.833 0.533 -0.809) 7.893 5.869 ( -14.172 0.172 -0.972) 14.207 6.237 ( 4.235 0.124 -4.304) 6.039 7.365 ( -14.253 3.255 0.583) 14.631 7.705 ( -7.453 -4.117 -3.369) 9.157 9.123 ( 1.380 -0.199 4.864) 5.060 9.646 ( -1.297 1.866 -0.933) 2.457 10.401 ( 0.089 -0.509 -1.004) 1.129 10.559 ( 0.407 0.488 -5.869) 5.903 10.961 ( 2.275 0.102 1.002) 2.488 11.125 ( 1.777 0.097 6.431) 6.673 11.315 ( 4.493 -2.239 -3.052) 5.875 11.666 ( 1.616 0.528 -1.171) 2.064 13.270 ( 1.406 1.359 6.921) 7.191 13.988 ( -1.780 -1.840 -2.494) 3.574 22.675 ( -1.691 2.886 0.954) 3.478 22.773 ( 1.869 -3.645 0.526) 4.130 23.357 ( 2.504 -0.057 1.451) 2.895 24.338 ( -4.518 4.820 -8.657) 10.890 25.454 ( 3.550 3.154 -0.218) 4.754 25.889 ( 10.893 -4.225 -11.912) 16.685 26.435 ( 0.486 -1.426 9.853) 9.968 26.484 ( -7.298 -0.650 3.405) 8.079 ======================= Grid point 151 (55/144) ======================= q-point: ( 0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 1.672 5.026 2.010) 5.666 1.799 ( 8.976 11.265 4.975) 15.239 2.006 ( -12.889 -1.093 3.441) 13.386 2.371 ( 4.686 1.541 0.075) 4.933 2.596 ( 9.707 0.920 -3.689) 10.425 3.022 ( -1.716 -3.092 -2.411) 4.280 3.343 ( 4.572 -0.623 1.356) 4.809 3.493 ( -1.421 5.083 -0.338) 5.288 3.582 ( -6.803 -0.890 3.531) 7.717 4.053 ( 0.530 -1.026 5.307) 5.432 4.077 ( 10.245 -3.298 -2.511) 11.051 5.233 ( -1.710 1.286 -8.992) 9.243 5.475 ( -10.663 3.016 1.936) 11.249 5.585 ( -3.303 0.663 1.759) 3.801 5.714 ( 0.928 -3.950 -0.117) 4.060 6.186 ( -10.486 -0.610 -3.569) 11.094 7.150 ( -9.859 -0.257 3.049) 10.323 7.676 ( -2.863 -5.439 -3.563) 7.105 9.171 ( 3.959 -0.917 4.319) 5.930 9.631 ( 3.189 3.964 -1.054) 5.195 10.399 ( -1.423 -0.861 -1.066) 1.975 10.550 ( -0.816 0.600 -5.087) 5.187 11.003 ( 3.241 0.885 1.211) 3.572 11.108 ( -3.582 -0.248 7.378) 8.205 11.417 ( 5.193 -1.908 -4.655) 7.230 11.664 ( -0.725 0.909 -1.298) 1.742 13.293 ( 4.048 2.888 6.102) 7.872 13.998 ( -0.460 -3.251 -2.778) 4.301 22.605 ( -3.975 1.141 0.623) 4.182 22.791 ( -3.923 -2.767 -1.393) 4.999 23.415 ( 4.412 0.008 3.187) 5.443 24.200 ( -5.379 5.589 -5.117) 9.293 25.482 ( 4.464 4.084 0.556) 6.076 26.066 ( 7.086 -0.611 -11.333) 13.380 26.395 ( -4.911 -2.715 3.718) 6.731 26.480 ( 1.910 -2.879 6.752) 7.584 ======================= Grid point 152 (56/144) ======================= q-point: (-0.55 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 3.719 5.214 4.841) 8.029 1.716 ( -9.215 3.514 1.402) 9.961 1.865 ( 1.708 10.664 5.534) 12.135 2.347 ( 0.070 3.138 -2.654) 4.110 2.849 ( 16.345 -0.104 -2.310) 16.508 3.012 ( -5.686 -3.392 3.701) 7.585 3.222 ( -24.778 0.646 1.506) 24.832 3.424 ( 3.193 0.333 -3.136) 4.488 3.497 ( 1.891 6.003 -2.647) 6.828 4.050 ( 1.523 5.427 5.201) 7.669 4.280 ( 6.837 -5.151 -4.227) 9.547 5.084 ( -14.340 2.613 2.472) 14.784 5.313 ( -3.878 -0.472 -2.754) 4.780 5.508 ( -5.946 -2.253 0.612) 6.388 5.811 ( -5.938 -4.379 -6.299) 9.701 5.983 ( -7.357 -1.535 0.469) 7.530 7.064 ( -5.324 -6.864 5.342) 10.198 7.720 ( 0.603 -5.807 -3.048) 6.586 9.265 ( 6.074 -0.945 3.346) 6.998 9.658 ( 6.214 5.383 -1.408) 8.341 10.370 ( -3.450 -0.998 -1.094) 3.755 10.523 ( -1.483 0.930 -4.766) 5.078 10.984 ( -6.370 0.754 5.762) 8.622 11.084 ( 2.578 0.177 2.589) 3.658 11.514 ( 4.972 -0.504 -5.344) 7.317 11.629 ( -2.171 0.977 -1.622) 2.880 13.335 ( 5.401 3.702 6.577) 9.281 14.039 ( 0.725 -3.751 -2.665) 4.658 22.511 ( -6.445 1.586 0.661) 6.670 22.732 ( -7.363 -4.572 -1.885) 8.869 23.483 ( 4.684 1.724 2.956) 5.801 24.052 ( -6.070 4.481 -3.171) 8.184 25.504 ( 4.341 5.327 1.008) 6.945 26.108 ( 0.338 3.034 -7.832) 8.406 26.411 ( 1.651 -4.461 1.335) 4.940 26.554 ( 2.859 -3.517 4.417) 6.329 ======================= Grid point 153 (57/144) ======================= q-point: (-0.45 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 7.380 1.504 -1.242) 7.634 1.509 ( -11.108 3.136 1.402) 11.627 1.758 ( 3.345 17.707 4.209) 18.505 2.324 ( 0.262 3.496 -2.933) 4.571 2.655 ( -35.203 0.285 -1.106) 35.221 2.920 ( -13.277 -1.827 9.914) 16.670 3.136 ( 14.677 0.228 2.025) 14.818 3.360 ( -2.668 8.335 -6.810) 11.089 3.564 ( 8.734 1.747 -1.762) 9.079 4.003 ( 3.067 9.533 0.668) 10.036 4.360 ( -2.510 -3.716 -4.265) 6.189 4.857 ( -11.094 -0.807 14.298) 18.115 5.258 ( -8.766 0.247 -6.493) 10.911 5.405 ( -10.966 -5.755 -3.596) 12.896 5.588 ( -14.730 -4.622 -3.606) 15.854 6.071 ( 6.351 -2.927 -2.926) 7.580 7.133 ( -0.384 -14.760 6.257) 16.036 7.814 ( 2.991 -6.145 -2.413) 7.248 9.373 ( 7.033 1.129 2.518) 7.555 9.712 ( 7.084 4.689 -1.596) 8.643 10.308 ( -5.564 -1.077 -0.969) 5.749 10.485 ( -1.657 1.195 -4.538) 4.977 10.844 ( -9.480 0.123 6.790) 11.661 11.136 ( 4.121 1.180 0.837) 4.368 11.561 ( -1.223 1.608 -3.540) 4.075 11.600 ( 2.543 0.576 -5.209) 5.825 13.385 ( 5.598 3.445 8.370) 10.643 14.097 ( 1.559 -3.433 -2.146) 4.338 22.359 ( -9.980 1.570 1.222) 10.176 22.664 ( -7.663 -5.192 -2.089) 9.488 23.517 ( 3.709 5.157 1.882) 6.625 23.918 ( -5.999 1.759 -2.258) 6.646 25.503 ( 3.304 6.603 1.244) 7.487 26.057 ( -1.792 2.962 -5.063) 6.134 26.506 ( 4.330 -3.061 -0.920) 5.382 26.643 ( 3.488 -3.524 3.122) 5.859 ======================= Grid point 154 (58/144) ======================= q-point: (-0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -7.124 13.040 -3.005) 15.160 1.546 ( -1.683 1.326 -6.081) 6.447 1.612 ( 5.076 14.946 4.011) 16.286 2.028 ( -32.415 1.743 2.935) 32.594 2.294 ( -5.031 2.427 -0.509) 5.609 2.639 ( -18.168 6.236 9.140) 21.272 3.191 ( -2.090 8.719 -6.032) 10.807 3.389 ( 12.131 -0.241 2.323) 12.353 3.699 ( 8.398 -1.070 4.471) 9.574 3.944 ( -0.285 6.424 -11.929) 13.552 4.338 ( -1.390 0.383 1.994) 2.461 4.707 ( -9.896 -1.000 15.129) 18.106 4.972 ( -18.733 -1.989 1.044) 18.867 5.416 ( -6.563 -10.060 -9.358) 15.226 5.445 ( -5.790 -1.053 -4.781) 7.582 6.182 ( 3.695 -2.380 -4.163) 6.054 7.358 ( 3.603 -21.252 5.327) 22.204 7.943 ( 4.165 -6.843 -1.812) 8.213 9.458 ( 7.510 5.156 2.086) 9.346 9.782 ( 5.759 1.794 -1.754) 6.282 10.217 ( -7.212 -1.389 -0.463) 7.359 10.446 ( -1.678 1.086 -4.069) 4.534 10.694 ( -8.372 0.208 6.760) 10.762 11.184 ( 3.611 1.687 -0.034) 3.986 11.498 ( -3.180 2.044 -3.126) 4.905 11.644 ( 3.709 2.057 -8.974) 9.925 13.442 ( 5.064 1.974 11.763) 12.958 14.158 ( 1.822 -2.611 -1.290) 3.435 22.171 ( -10.854 1.204 1.922) 11.089 22.585 ( -8.409 -3.811 -2.541) 9.575 23.485 ( 1.717 8.872 1.057) 9.098 23.831 ( -4.335 -0.939 -2.411) 5.048 25.468 ( 1.778 7.411 1.319) 7.735 25.999 ( -1.341 2.957 -4.877) 5.859 26.606 ( 4.478 -2.324 -1.363) 5.226 26.740 ( 3.812 -3.563 2.745) 5.896 ======================= Grid point 155 (59/144) ======================= q-point: (-0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -6.911 20.267 -9.207) 23.308 1.190 ( -24.840 9.100 4.561) 26.845 1.589 ( 4.501 14.206 10.559) 18.264 1.718 ( -5.581 2.497 -0.174) 6.116 2.208 ( -3.957 -3.095 -4.537) 6.769 2.234 ( -17.735 12.873 9.661) 23.950 3.093 ( 1.376 8.389 -5.875) 10.334 3.561 ( 8.283 -0.227 1.856) 8.492 3.818 ( 1.171 -1.571 2.637) 3.286 3.862 ( -2.298 1.820 -15.446) 15.722 4.266 ( -4.803 2.573 7.678) 9.415 4.651 ( 5.623 0.064 2.862) 6.309 4.807 ( -7.007 -4.264 13.602) 15.884 5.198 ( -18.338 0.258 -8.763) 20.326 5.529 ( 0.501 -8.504 -8.252) 11.860 6.244 ( 1.362 -1.746 -3.275) 3.953 7.671 ( 4.124 -23.898 3.661) 24.526 8.085 ( 3.272 -7.771 -1.026) 8.494 9.497 ( 6.301 9.084 1.598) 11.170 9.854 ( 3.114 -1.560 -2.065) 4.049 10.117 ( -6.684 -1.879 0.601) 6.969 10.411 ( -1.309 0.666 -3.173) 3.497 10.582 ( -4.718 0.563 6.203) 7.814 11.211 ( 2.141 2.168 -0.432) 3.077 11.424 ( -2.468 2.777 -3.980) 5.445 11.671 ( 3.034 3.233 -13.322) 14.040 13.510 ( 3.909 -1.323 16.948) 17.443 14.206 ( 1.319 -1.491 -0.281) 2.010 22.003 ( -7.735 1.191 2.295) 8.156 22.472 ( -8.281 -0.596 -2.838) 8.774 23.396 ( 0.416 10.059 0.809) 10.100 23.786 ( -2.462 -0.381 -3.714) 4.473 25.406 ( 0.484 7.327 1.248) 7.448 25.949 ( -0.530 3.874 -6.608) 7.678 26.697 ( 3.143 -2.956 -0.866) 4.401 26.841 ( 3.451 -4.246 3.153) 6.315 ======================= Grid point 156 (60/144) ======================= q-point: (-0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.000 25.607 -5.465) 26.184 0.773 ( -0.000 6.137 8.758) 10.694 1.454 ( -0.000 20.264 25.098) 32.257 1.627 ( -0.000 3.976 -5.507) 6.793 1.903 ( -0.000 14.181 7.428) 16.009 2.249 ( 0.000 -8.206 -7.378) 11.035 3.026 ( -0.000 7.547 -3.956) 8.521 3.633 ( -0.000 0.993 2.207) 2.420 3.793 ( 0.000 -2.231 -15.771) 15.928 3.840 ( -0.000 3.282 -4.179) 5.314 4.209 ( -0.000 2.539 11.464) 11.741 4.808 ( 0.000 -6.302 22.038) 22.921 4.813 ( -0.000 1.187 -11.076) 11.139 4.904 ( -0.000 2.766 -4.393) 5.191 5.617 ( 0.000 -7.253 -9.174) 11.694 6.269 ( 0.000 -1.104 -2.129) 2.398 7.962 ( 0.000 -22.025 2.803) 22.202 8.201 ( 0.000 -8.807 0.029) 8.807 9.448 ( -0.000 10.087 1.790) 10.244 9.910 ( 0.000 -3.527 -2.782) 4.492 10.072 ( 0.000 -1.675 1.463) 2.224 10.393 ( -0.000 0.860 -2.529) 2.671 10.538 ( -0.000 0.208 5.611) 5.615 11.203 ( -0.000 2.575 -0.574) 2.638 11.370 ( -0.000 3.055 -4.475) 5.419 11.656 ( -0.000 5.501 -18.280) 19.090 13.591 ( 0.000 -6.769 22.663) 23.652 14.227 ( 0.000 -0.194 0.549) 0.582 21.921 ( -0.000 1.275 2.365) 2.687 22.373 ( -0.000 2.500 -2.586) 3.597 23.293 ( -0.000 9.858 0.754) 9.887 23.755 ( -0.000 2.066 -6.070) 6.411 25.335 ( -0.000 6.213 1.080) 6.306 25.893 ( -0.000 6.085 -10.289) 11.954 26.762 ( 0.000 -3.902 0.474) 3.931 26.930 ( 0.000 -5.779 4.441) 7.288 ======================= Grid point 161 (61/144) ======================= q-point: ( 0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 2.913 0.000 -1.044) 3.094 1.943 ( 12.204 0.000 6.896) 14.018 1.980 ( -17.148 -0.000 3.683) 17.539 2.390 ( 7.647 0.000 -1.231) 7.745 2.609 ( 8.109 0.000 -3.388) 8.788 2.985 ( -1.320 -0.000 -3.621) 3.854 3.349 ( 6.856 0.000 5.440) 8.752 3.507 ( -5.863 -0.000 1.935) 6.174 3.659 ( -6.095 -0.000 -0.062) 6.096 3.878 ( 7.856 0.000 4.443) 9.025 4.145 ( 6.148 0.000 -1.549) 6.340 5.247 ( 0.246 0.000 -8.305) 8.309 5.518 ( -14.011 -0.000 -0.800) 14.034 5.624 ( -12.726 -0.000 4.210) 13.404 5.631 ( 10.136 0.000 -0.724) 10.162 6.179 ( -10.980 -0.000 -3.551) 11.540 7.150 ( -13.759 -0.000 2.427) 13.971 7.609 ( -1.816 -0.000 -3.909) 4.310 9.162 ( 3.810 0.000 5.078) 6.349 9.676 ( 3.485 0.000 -1.094) 3.652 10.390 ( -1.221 -0.000 -0.926) 1.532 10.556 ( -0.856 -0.000 -5.829) 5.891 11.015 ( 3.988 0.000 1.312) 4.198 11.105 ( -4.221 -0.000 7.699) 8.780 11.392 ( 6.129 0.000 -3.862) 7.244 11.675 ( -0.740 -0.000 -1.417) 1.599 13.330 ( 4.641 0.000 5.157) 6.938 13.957 ( -0.789 -0.000 -2.600) 2.717 22.622 ( -4.061 -0.000 0.187) 4.065 22.756 ( -4.171 -0.000 -1.051) 4.302 23.415 ( 4.858 0.000 3.346) 5.899 24.266 ( -6.872 -0.000 -5.876) 9.042 25.539 ( 4.828 0.000 0.173) 4.831 26.050 ( 10.885 0.000 -9.412) 14.390 26.362 ( -7.150 -0.000 3.362) 7.901 26.447 ( 1.849 0.000 6.242) 6.510 ======================= Grid point 162 (62/144) ======================= q-point: ( 0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 3.843 4.148 3.061) 6.430 1.693 ( -17.019 -1.998 7.619) 18.754 2.094 ( 10.015 6.416 2.122) 12.082 2.401 ( -0.576 1.551 -2.796) 3.249 2.853 ( 15.088 0.281 -4.522) 15.754 2.978 ( -1.911 -0.520 1.225) 2.329 3.230 ( -23.355 0.408 3.565) 23.629 3.433 ( 2.915 0.521 1.372) 3.264 3.595 ( 2.526 2.781 -1.823) 4.176 4.014 ( 4.212 -4.861 5.631) 8.549 4.268 ( 7.729 1.819 -7.651) 11.026 5.173 ( -15.794 4.851 3.028) 16.797 5.279 ( -4.283 -2.818 -4.371) 6.737 5.478 ( -8.051 -0.653 0.916) 8.129 5.733 ( -5.402 -2.350 -6.185) 8.541 5.959 ( -9.211 -0.582 1.231) 9.311 6.953 ( -11.849 -2.909 5.297) 13.301 7.628 ( 1.947 -2.362 -4.070) 5.093 9.247 ( 6.270 -0.486 4.667) 7.832 9.746 ( 6.337 2.258 -1.573) 6.908 10.358 ( -2.853 -0.164 -0.806) 2.969 10.536 ( -1.462 0.304 -5.874) 6.061 10.998 ( -8.012 0.418 7.786) 11.180 11.086 ( 4.418 0.058 1.502) 4.666 11.495 ( 5.763 -0.753 -4.039) 7.077 11.647 ( -2.190 0.527 -1.888) 2.939 13.407 ( 6.104 2.295 4.551) 7.952 13.964 ( 0.110 -2.394 -2.450) 3.427 22.553 ( -4.299 2.057 -0.179) 4.769 22.648 ( -9.422 -3.012 -1.352) 9.984 23.502 ( 5.662 0.305 3.319) 6.571 24.133 ( -7.736 2.286 -3.734) 8.889 25.608 ( 5.830 3.339 0.832) 6.769 26.181 ( 3.381 3.840 -5.551) 7.549 26.297 ( -0.345 -5.555 1.133) 5.680 26.492 ( 2.542 -1.698 3.351) 4.536 ======================= Grid point 163 (63/144) ======================= q-point: (-0.55 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -9.245 -1.156 7.760) 12.125 1.590 ( 4.175 3.768 2.611) 6.201 2.119 ( 5.610 13.227 -0.614) 14.381 2.388 ( 1.220 1.701 -2.484) 3.248 2.664 ( -33.529 0.128 -0.907) 33.542 2.893 ( -8.168 0.413 8.111) 11.519 3.164 ( 13.499 1.916 1.360) 13.702 3.474 ( 1.691 1.524 -2.809) 3.616 3.634 ( 6.654 4.904 -4.931) 9.625 4.122 ( 5.321 -1.522 7.066) 8.975 4.282 ( -5.639 0.160 -13.037) 14.205 4.882 ( -11.370 2.764 14.849) 18.905 5.246 ( -7.825 -1.187 -10.117) 12.845 5.337 ( -13.404 -1.148 -1.619) 13.550 5.486 ( -15.000 -4.469 -3.387) 16.014 6.008 ( 5.902 -2.680 -0.584) 6.508 6.852 ( -8.723 -10.151 7.295) 15.243 7.709 ( 3.937 -3.465 -3.960) 6.572 9.367 ( 7.424 -0.805 3.793) 8.376 9.820 ( 6.814 4.089 -1.666) 8.120 10.299 ( -4.485 0.184 -0.635) 4.533 10.503 ( -2.026 0.513 -5.849) 6.212 10.850 ( -9.261 0.365 8.104) 12.311 11.155 ( 4.463 0.653 0.955) 4.611 11.584 ( 3.203 -0.118 -4.372) 5.421 11.601 ( -1.474 0.385 -2.676) 3.079 13.470 ( 5.866 3.987 5.125) 8.750 14.008 ( 0.861 -4.200 -2.127) 4.786 22.398 ( -11.039 1.925 0.367) 11.212 22.574 ( -4.676 -3.241 -1.455) 5.872 23.581 ( 4.944 1.302 2.127) 5.537 23.978 ( -7.694 2.900 -2.204) 8.512 25.649 ( 5.385 6.268 1.267) 8.360 26.120 ( -2.903 2.935 -0.107) 4.129 26.423 ( 5.697 -4.486 -3.463) 8.036 26.563 ( 2.781 -3.328 1.569) 4.612 ======================= Grid point 164 (64/144) ======================= q-point: (-0.45 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -6.495 -3.442 5.726) 9.318 1.633 ( 6.813 6.958 -3.462) 10.336 1.912 ( -22.688 7.147 1.529) 23.836 2.176 ( -10.184 12.276 -0.225) 15.951 2.375 ( -0.394 4.375 -0.866) 4.477 2.729 ( -10.307 2.392 9.561) 14.261 3.327 ( 5.706 2.911 -0.256) 6.411 3.436 ( 3.506 5.173 -4.231) 7.547 3.703 ( 5.857 1.754 -0.974) 6.192 4.063 ( -10.198 4.440 -8.423) 13.952 4.281 ( 3.383 -5.107 4.228) 7.443 4.730 ( -6.749 2.649 15.278) 16.911 4.930 ( -21.898 -1.956 -3.517) 22.265 5.243 ( -5.404 -5.131 -7.844) 10.819 5.419 ( -3.154 -1.927 -4.589) 5.893 6.125 ( 4.250 -2.890 -3.867) 6.432 6.904 ( -4.196 -19.343 8.187) 21.419 7.821 ( 4.498 -4.447 -3.748) 7.352 9.494 ( 7.099 -0.623 2.788) 7.652 9.875 ( 6.009 4.954 -1.319) 7.899 10.209 ( -6.001 0.850 -0.316) 6.069 10.459 ( -2.856 0.269 -5.021) 5.783 10.708 ( -7.141 0.878 7.757) 10.580 11.212 ( 3.691 1.023 0.342) 3.845 11.539 ( -2.566 1.675 -3.248) 4.465 11.655 ( 3.043 -0.540 -5.901) 6.661 13.511 ( 4.590 4.149 6.949) 9.304 14.075 ( 1.199 -4.762 -1.646) 5.179 22.196 ( -11.411 1.000 1.540) 11.557 22.535 ( -3.509 -1.226 -2.083) 4.261 23.624 ( 3.191 3.740 0.856) 4.990 23.838 ( -5.877 1.663 -1.234) 6.231 25.644 ( 3.695 8.437 1.458) 9.325 26.051 ( -2.100 2.129 0.283) 3.004 26.548 ( 4.647 -3.049 -3.498) 6.567 26.650 ( 2.704 -4.540 0.531) 5.311 ======================= Grid point 165 (65/144) ======================= q-point: (-0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -20.877 2.288 -2.145) 21.111 1.394 ( -12.873 5.111 7.958) 15.974 1.726 ( 4.940 3.664 -7.328) 9.568 1.992 ( 3.760 18.503 1.521) 18.942 2.264 ( -3.638 7.887 0.078) 8.686 2.490 ( -11.469 9.857 9.678) 17.954 3.273 ( 0.655 8.040 -5.928) 10.010 3.550 ( 8.157 -1.220 -1.237) 8.340 3.778 ( 1.080 -1.662 -0.100) 1.984 3.881 ( -5.789 0.858 -3.821) 6.989 4.269 ( -10.305 -1.613 7.243) 12.699 4.664 ( 4.800 0.805 8.750) 10.012 4.746 ( -4.580 -2.052 1.893) 5.364 5.171 ( -11.371 -2.866 -7.856) 14.115 5.407 ( 0.117 -2.254 -7.009) 7.363 6.200 ( 1.718 -2.252 -4.825) 5.595 7.119 ( -0.356 -26.196 7.159) 27.159 7.940 ( 3.249 -5.641 -3.239) 7.271 9.602 ( 5.687 0.241 1.601) 5.913 9.905 ( 4.480 5.695 -1.285) 7.360 10.095 ( -6.667 0.395 0.688) 6.714 10.412 ( -2.681 -0.382 -3.003) 4.043 10.610 ( -3.286 1.725 6.235) 7.256 11.249 ( 2.231 1.360 -0.002) 2.612 11.481 ( -1.821 2.377 -4.053) 5.039 11.699 ( 1.818 -0.165 -8.322) 8.520 13.531 ( 2.700 2.907 10.026) 10.783 14.142 ( 0.912 -4.326 -1.052) 4.544 22.028 ( -7.461 1.081 2.333) 7.892 22.483 ( -2.996 1.135 -2.604) 4.129 23.588 ( 0.147 7.309 0.386) 7.321 23.773 ( -1.760 -0.545 -1.253) 2.228 25.589 ( 1.592 9.465 1.519) 9.718 26.006 ( -0.922 1.907 -0.412) 2.158 26.637 ( 2.591 -2.718 -3.037) 4.829 26.742 ( 2.067 -5.050 0.084) 5.457 ======================= Grid point 166 (66/144) ======================= q-point: (-0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.000 4.092 4.130) 5.814 1.229 ( -0.000 15.605 -1.430) 15.671 1.725 ( -0.000 4.954 -7.546) 9.027 1.860 ( -0.000 16.291 10.306) 19.278 2.165 ( -0.000 3.913 -1.650) 4.246 2.218 ( -0.000 14.362 8.550) 16.715 3.198 ( -0.000 8.178 -5.479) 9.843 3.674 ( -0.000 2.817 2.909) 4.050 3.713 ( 0.000 -5.508 -15.704) 16.642 3.885 ( -0.000 0.844 3.121) 3.233 4.188 ( 0.000 -3.668 9.572) 10.251 4.696 ( 0.000 -3.461 19.489) 19.794 4.834 ( 0.000 -0.474 -9.437) 9.449 4.983 ( -0.000 4.340 -6.170) 7.544 5.459 ( 0.000 -6.018 -7.241) 9.415 6.235 ( 0.000 -1.942 -4.024) 4.468 7.416 ( 0.000 -27.807 5.234) 28.295 8.035 ( 0.000 -6.796 -2.214) 7.148 9.637 ( -0.000 4.594 0.397) 4.611 9.886 ( -0.000 3.691 -1.705) 4.066 10.036 ( 0.000 -1.609 1.894) 2.486 10.394 ( 0.000 -0.572 -2.163) 2.237 10.563 ( -0.000 1.945 5.541) 5.873 11.251 ( -0.000 1.801 -0.111) 1.804 11.436 ( -0.000 2.930 -4.525) 5.391 11.713 ( -0.000 0.623 -11.347) 11.364 13.535 ( -0.000 0.640 13.906) 13.921 14.191 ( 0.000 -3.189 -0.506) 3.229 21.951 ( -0.000 1.382 2.534) 2.887 22.430 ( -0.000 2.718 -2.723) 3.847 23.500 ( -0.000 8.846 0.560) 8.864 23.767 ( 0.000 -0.324 -2.160) 2.184 25.500 ( -0.000 9.063 1.460) 9.180 25.977 ( -0.000 2.398 -2.536) 3.490 26.689 ( 0.000 -2.989 -2.379) 3.820 26.816 ( 0.000 -5.235 0.802) 5.296 ======================= Grid point 173 (67/144) ======================= q-point: ( 0.36 -0.64 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -13.422 -0.000 12.980) 18.672 1.636 ( 8.011 0.000 0.482) 8.025 2.276 ( 8.219 0.000 -0.710) 8.250 2.390 ( -3.413 -0.000 -4.073) 5.314 2.661 ( -31.445 -0.000 0.912) 31.458 2.915 ( -6.448 -0.000 5.642) 8.568 3.192 ( 13.381 0.000 1.639) 13.481 3.479 ( 2.458 0.000 -1.273) 2.768 3.705 ( 8.644 0.000 -2.956) 9.136 4.055 ( 3.030 0.000 3.097) 4.332 4.314 ( -4.550 -0.000 -11.807) 12.654 4.927 ( -12.675 -0.000 15.862) 20.304 5.227 ( -8.502 -0.000 -12.665) 15.254 5.331 ( -8.967 -0.000 -1.313) 9.062 5.428 ( -18.218 -0.000 -3.651) 18.580 5.975 ( 5.181 0.000 1.145) 5.306 6.739 ( -11.735 -0.000 7.426) 13.887 7.671 ( 4.416 0.000 -4.800) 6.523 9.357 ( 7.402 0.000 4.532) 8.679 9.865 ( 6.364 0.000 -1.656) 6.576 10.304 ( -3.673 -0.000 -0.628) 3.726 10.509 ( -2.217 -0.000 -6.285) 6.665 10.855 ( -9.143 -0.000 8.559) 12.524 11.162 ( 4.584 0.000 0.984) 4.688 11.576 ( 4.532 0.000 -3.782) 5.903 11.610 ( -2.663 -0.000 -2.566) 3.699 13.522 ( 6.198 0.000 3.719) 7.228 13.954 ( 0.394 0.000 -1.965) 2.005 22.425 ( -13.547 -0.000 -0.077) 13.547 22.534 ( -1.396 -0.000 -1.135) 1.799 23.592 ( 5.096 0.000 2.300) 5.591 24.013 ( -8.326 -0.000 -2.371) 8.657 25.726 ( 6.076 0.000 1.029) 6.162 26.164 ( -4.753 -0.000 4.350) 6.443 26.354 ( 7.836 0.000 -6.567) 10.224 26.524 ( 2.581 0.000 0.849) 2.717 ======================= Grid point 175 (68/144) ======================= q-point: (-0.55 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -6.275 -1.735 14.316) 15.727 1.753 ( 7.777 3.337 -4.215) 9.454 1.984 ( -37.217 1.237 3.084) 37.365 2.379 ( 4.458 4.374 -1.834) 6.510 2.443 ( 1.441 1.698 -1.877) 2.913 2.781 ( -7.472 2.361 8.483) 11.548 3.369 ( 8.279 1.445 0.456) 8.416 3.502 ( 0.347 0.295 -2.339) 2.383 3.803 ( 5.919 6.660 -3.473) 9.563 4.074 ( -9.735 -5.078 -7.662) 13.389 4.201 ( 0.186 0.182 4.968) 4.974 4.784 ( -5.833 1.656 13.833) 15.103 4.889 ( -24.469 -1.489 -8.184) 25.844 5.204 ( -5.325 0.615 -4.534) 7.020 5.365 ( 0.301 -2.456 -6.130) 6.610 6.067 ( 4.574 -2.022 -1.491) 5.219 6.603 ( -9.253 -7.489 9.059) 14.959 7.756 ( 4.696 -1.575 -5.474) 7.382 9.476 ( 6.607 -0.605 4.027) 7.761 9.943 ( 4.254 1.343 -0.684) 4.513 10.241 ( -3.332 1.352 -0.925) 3.713 10.461 ( -3.623 -0.005 -5.193) 6.331 10.724 ( -6.365 0.451 7.953) 10.197 11.228 ( 3.704 0.396 0.587) 3.771 11.565 ( -2.385 0.639 -3.317) 4.135 11.639 ( 2.883 -0.605 -4.123) 5.067 13.596 ( 4.743 2.904 3.903) 6.794 13.980 ( 0.624 -3.176 -1.532) 3.581 22.211 ( -12.006 0.382 1.354) 12.088 22.521 ( -0.769 -0.246 -1.987) 2.144 23.662 ( 3.775 0.530 1.041) 3.952 23.878 ( -7.110 1.276 -1.238) 7.329 25.792 ( 4.663 4.246 1.026) 6.389 26.093 ( -2.759 1.536 4.302) 5.337 26.480 ( 5.553 -2.663 -5.345) 8.155 26.574 ( 2.155 -1.946 -0.522) 2.951 ======================= Grid point 176 (69/144) ======================= q-point: (-0.45 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -12.996 -1.212 3.443) 13.499 1.422 ( -20.917 0.069 15.170) 25.839 1.829 ( 5.333 4.353 -8.904) 11.254 2.332 ( 1.432 11.791 -4.586) 12.732 2.448 ( 2.377 6.617 0.286) 7.037 2.642 ( -5.500 4.868 9.424) 11.948 3.411 ( 1.474 3.821 -2.919) 5.029 3.509 ( 0.200 -1.860 -3.525) 3.991 3.788 ( 1.100 3.633 -1.739) 4.176 3.920 ( -6.056 2.023 2.486) 6.852 4.227 ( -6.517 -1.790 7.763) 10.293 4.648 ( -3.451 -4.436 -7.361) 9.261 4.699 ( -5.068 -0.349 10.136) 11.338 5.140 ( -2.857 0.622 -6.436) 7.069 5.387 ( -0.048 -0.634 -7.315) 7.342 6.152 ( 2.562 -2.171 -5.255) 6.237 6.625 ( -4.445 -17.900 10.752) 21.349 7.846 ( 3.132 -3.062 -5.634) 7.136 9.576 ( 4.226 -1.516 3.216) 5.523 9.980 ( 2.217 0.874 0.952) 2.566 10.162 ( -2.646 4.748 -1.626) 5.674 10.402 ( -3.390 -0.414 -2.367) 4.156 10.644 ( -2.542 1.280 5.712) 6.381 11.270 ( 2.196 0.709 0.372) 2.337 11.522 ( -1.540 1.349 -4.115) 4.596 11.682 ( 1.413 -0.995 -5.137) 5.420 13.615 ( 2.504 4.272 5.229) 7.201 14.036 ( 0.576 -5.043 -1.245) 5.227 22.047 ( -7.214 0.650 2.381) 7.624 22.507 ( -0.658 0.948 -2.636) 2.878 23.693 ( 1.368 2.381 0.110) 2.748 23.774 ( -3.391 0.813 -0.503) 3.523 25.784 ( 2.341 7.680 1.106) 8.104 26.044 ( -1.180 1.813 3.688) 4.276 26.580 ( 2.871 -2.750 -4.314) 5.866 26.635 ( 1.381 -4.218 -1.317) 4.630 ======================= Grid point 177 (70/144) ======================= q-point: (-0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.000 2.518 2.186) 3.334 1.345 ( 0.000 -1.547 13.345) 13.434 1.830 ( -0.000 4.605 -10.143) 11.139 2.189 ( -0.000 15.224 -5.194) 16.086 2.384 ( -0.000 11.136 3.225) 11.593 2.489 ( -0.000 10.466 9.156) 13.906 3.366 ( -0.000 7.201 -4.677) 8.587 3.564 ( 0.000 -7.669 -9.645) 12.322 3.749 ( -0.000 4.017 2.223) 4.591 3.888 ( 0.000 -0.225 6.891) 6.895 4.126 ( 0.000 -0.409 7.958) 7.969 4.659 ( 0.000 -0.462 13.022) 13.031 4.744 ( 0.000 -7.958 -8.889) 11.931 5.077 ( -0.000 4.066 -6.140) 7.365 5.390 ( 0.000 -0.821 -7.852) 7.894 6.192 ( 0.000 -1.927 -5.869) 6.177 6.830 ( 0.000 -25.196 9.533) 26.939 7.914 ( 0.000 -4.487 -4.830) 6.593 9.634 ( 0.000 -2.215 2.105) 3.056 10.006 ( 0.000 -1.152 2.339) 2.607 10.055 ( -0.000 9.008 -2.350) 9.309 10.379 ( 0.000 -0.728 -1.178) 1.385 10.607 ( -0.000 1.917 4.744) 5.117 11.280 ( -0.000 0.991 0.290) 1.033 11.490 ( -0.000 2.035 -4.551) 4.985 11.705 ( 0.000 -1.012 -6.708) 6.784 13.590 ( -0.000 3.946 7.479) 8.456 14.097 ( 0.000 -5.237 -1.073) 5.345 21.977 ( -0.000 1.050 2.691) 2.888 22.483 ( -0.000 2.074 -2.850) 3.525 23.653 ( -0.000 5.276 0.124) 5.277 23.756 ( 0.000 -0.493 -0.704) 0.859 25.708 ( -0.000 9.636 1.386) 9.735 26.016 ( -0.000 1.622 2.266) 2.787 26.630 ( 0.000 -2.563 -3.396) 4.255 26.701 ( 0.000 -5.398 -1.546) 5.615 ======================= Grid point 186 (71/144) ======================= q-point: ( 0.45 -0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -9.077 -0.000 8.500) 12.436 1.424 ( -24.814 -0.000 16.393) 29.740 1.878 ( 4.712 0.000 -10.262) 11.292 2.474 ( 1.674 0.000 -2.686) 3.165 2.499 ( 4.694 0.000 -3.122) 5.638 2.703 ( -3.913 -0.000 9.632) 10.397 3.434 ( -1.078 -0.000 -2.122) 2.380 3.496 ( -0.459 -0.000 -1.812) 1.869 3.895 ( -5.465 -0.000 -3.401) 6.437 3.909 ( -0.730 -0.000 3.423) 3.500 4.207 ( 1.106 0.000 7.836) 7.914 4.572 ( -11.615 -0.000 -11.036) 16.021 4.703 ( -4.904 -0.000 10.070) 11.200 5.159 ( -1.296 -0.000 -5.149) 5.310 5.375 ( 1.557 0.000 -7.915) 8.066 6.121 ( 3.576 0.000 -3.805) 5.222 6.426 ( -6.848 -0.000 11.212) 13.138 7.813 ( 3.080 0.000 -6.751) 7.421 9.558 ( 3.821 0.000 4.059) 5.574 9.984 ( 0.659 0.000 1.612) 1.741 10.222 ( -0.608 -0.000 -2.393) 2.469 10.397 ( -3.563 -0.000 -2.142) 4.157 10.659 ( -2.344 -0.000 5.509) 5.987 11.278 ( 2.168 0.000 0.531) 2.232 11.536 ( -1.471 -0.000 -4.136) 4.390 11.669 ( 1.342 0.000 -4.061) 4.277 13.674 ( 2.627 0.000 3.365) 4.269 13.968 ( 0.309 0.000 -1.086) 1.129 22.054 ( -7.122 -0.000 2.401) 7.516 22.518 ( 0.022 0.000 -2.666) 2.666 23.712 ( 2.040 0.000 0.189) 2.048 23.789 ( -4.298 -0.000 -0.509) 4.328 25.872 ( 2.249 0.000 0.411) 2.286 26.072 ( -0.951 -0.000 6.058) 6.133 26.535 ( 3.002 0.000 -5.507) 6.272 26.591 ( 1.260 0.000 -1.442) 1.915 ======================= Grid point 188 (72/144) ======================= q-point: (-0.45 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.000 0.872 1.490) 1.726 1.298 ( 0.000 -1.466 24.392) 24.436 1.906 ( -0.000 2.017 -12.438) 12.601 2.448 ( -0.000 7.452 -3.860) 8.392 2.530 ( -0.000 2.361 -2.358) 3.337 2.649 ( -0.000 4.020 9.793) 10.586 3.429 ( 0.000 -3.881 -4.261) 5.763 3.479 ( -0.000 2.770 -1.741) 3.271 3.839 ( -0.000 3.565 0.294) 3.577 3.883 ( 0.000 -0.141 7.265) 7.267 4.186 ( -0.000 4.526 7.119) 8.436 4.543 ( 0.000 -8.470 -11.597) 14.361 4.658 ( -0.000 0.119 9.495) 9.495 5.142 ( -0.000 1.679 -5.890) 6.125 5.389 ( -0.000 0.137 -8.087) 8.088 6.161 ( 0.000 -0.816 -7.075) 7.122 6.422 ( 0.000 -10.819 13.558) 17.345 7.847 ( 0.000 -1.602 -6.892) 7.076 9.595 ( 0.000 -1.054 3.764) 3.909 9.989 ( 0.000 -0.419 2.623) 2.656 10.199 ( -0.000 3.685 -2.973) 4.735 10.367 ( 0.000 -0.282 -0.714) 0.768 10.637 ( -0.000 0.753 4.358) 4.422 11.295 ( -0.000 0.367 0.569) 0.677 11.520 ( -0.000 0.722 -4.559) 4.615 11.684 ( 0.000 -0.678 -4.424) 4.476 13.677 ( -0.000 3.163 3.856) 4.987 13.992 ( 0.000 -3.628 -1.008) 3.765 21.993 ( -0.000 0.390 2.784) 2.811 22.514 ( -0.000 0.773 -2.926) 3.026 23.723 ( -0.000 1.256 -0.135) 1.263 23.752 ( -0.000 0.199 -0.244) 0.314 25.867 ( -0.000 4.117 0.429) 4.139 26.055 ( -0.000 1.779 5.740) 6.010 26.575 ( 0.000 -2.509 -5.145) 5.724 26.611 ( 0.000 -1.945 -1.597) 2.517 ======================= Grid point 250 (73/144) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 0.000 22.123) 22.123 0.973 ( 0.000 0.000 18.672) 18.672 1.485 ( 0.000 0.000 -5.029) 5.029 1.522 ( 0.000 0.000 33.784) 33.784 1.669 ( 0.000 0.000 12.402) 12.402 2.155 ( 0.000 0.000 -19.833) 19.833 2.726 ( 0.000 0.000 -7.184) 7.184 3.186 ( 0.000 0.000 -30.235) 30.235 3.942 ( 0.000 0.000 9.978) 9.978 4.053 ( 0.000 0.000 5.024) 5.024 4.323 ( 0.000 0.000 14.570) 14.570 4.407 ( 0.000 0.000 -5.843) 5.843 4.652 ( 0.000 0.000 -10.959) 10.959 5.287 ( 0.000 0.000 -14.446) 14.446 5.472 ( 0.000 0.000 21.737) 21.737 6.251 ( 0.000 0.000 -3.787) 3.787 8.431 ( 0.000 0.000 4.560) 4.560 8.728 ( 0.000 0.000 -5.388) 5.388 9.391 ( 0.000 0.000 8.886) 8.886 9.895 ( 0.000 0.000 -6.670) 6.670 10.153 ( 0.000 0.000 2.466) 2.466 10.320 ( 0.000 0.000 -1.976) 1.976 10.660 ( 0.000 0.000 6.600) 6.600 10.995 ( 0.000 0.000 1.195) 1.195 11.097 ( 0.000 0.000 -1.754) 1.754 11.167 ( 0.000 0.000 -7.791) 7.791 14.230 ( 0.000 0.000 2.633) 2.633 14.378 ( 0.000 0.000 -1.616) 1.616 21.953 ( 0.000 0.000 4.001) 4.001 22.244 ( 0.000 0.000 -4.320) 4.320 23.065 ( 0.000 0.000 1.621) 1.621 23.198 ( 0.000 0.000 -2.129) 2.129 25.224 ( 0.000 0.000 1.483) 1.483 25.371 ( 0.000 0.000 -2.940) 2.940 26.972 ( 0.000 0.000 5.115) 5.115 27.262 ( 0.000 0.000 -3.381) 3.381 ======================= Grid point 251 (74/144) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.137 12.105 21.472) 24.650 1.037 ( 2.950 -9.563 20.541) 22.850 1.553 ( 8.175 2.052 -2.396) 8.763 1.712 ( 23.784 -2.129 14.225) 27.795 2.001 ( 23.361 -4.701 12.301) 26.817 2.155 ( 3.890 1.432 -15.993) 16.521 2.665 ( -6.892 -3.842 -11.360) 13.831 3.305 ( 10.347 -1.688 -22.735) 25.036 3.912 ( -6.365 7.822 9.665) 13.968 3.970 ( 0.086 -0.479 8.686) 8.700 4.313 ( -1.120 -1.015 13.844) 13.927 4.514 ( 9.682 -3.309 -4.285) 11.093 4.912 ( 24.682 0.338 -18.891) 31.083 5.311 ( -0.521 -4.275 -14.264) 14.900 5.460 ( 0.425 2.046 19.141) 19.255 6.233 ( -1.945 0.738 -4.737) 5.174 8.333 ( -9.045 4.071 3.452) 10.502 8.542 ( -13.263 9.107 -2.559) 16.291 9.357 ( -3.555 -0.948 9.270) 9.973 9.868 ( -2.671 1.006 -6.439) 7.043 10.209 ( 5.546 1.195 0.087) 5.674 10.327 ( 0.598 -0.367 -1.909) 2.033 10.727 ( 7.913 1.235 6.718) 10.453 11.039 ( -0.596 -8.811 -1.171) 8.908 11.093 ( -1.215 -1.200 -1.670) 2.389 11.221 ( 5.541 -1.053 -7.073) 9.047 14.153 ( -16.120 5.801 7.330) 18.634 14.211 ( -4.912 -0.814 2.019) 5.373 22.035 ( 9.441 -0.299 4.917) 10.649 22.539 ( 28.669 5.982 -14.230) 32.561 23.092 ( 2.071 -1.914 1.568) 3.226 23.291 ( 4.365 -12.843 -6.431) 15.012 25.238 ( 0.654 -1.629 1.457) 2.282 25.399 ( -0.057 -5.118 -4.056) 6.531 26.936 ( -2.948 2.152 4.860) 6.078 27.145 ( -9.727 3.912 1.217) 10.555 ======================= Grid point 252 (75/144) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 12.250 7.972 12.577) 19.282 1.228 ( 6.725 -11.391 15.181) 20.136 1.633 ( 5.759 6.903 -4.672) 10.131 2.106 ( 4.884 1.942 -12.390) 13.459 2.209 ( 27.502 -1.481 5.484) 28.083 2.492 ( 19.784 -2.839 2.264) 20.115 2.716 ( 10.074 -9.345 -2.151) 13.908 3.476 ( 6.853 -1.340 -12.676) 14.472 3.699 ( -10.238 6.235 10.119) 15.687 3.919 ( -7.039 -0.376 4.532) 8.380 4.308 ( -1.400 -1.776 14.189) 14.368 4.804 ( 21.429 -1.458 -0.684) 21.490 5.234 ( 9.906 2.087 -7.598) 12.657 5.360 ( 9.067 0.411 -14.970) 17.506 5.474 ( 4.249 1.433 4.795) 6.565 6.167 ( -4.840 1.498 -6.539) 8.272 8.067 ( -14.667 8.210 2.512) 16.995 8.237 ( -12.517 6.015 -1.887) 14.015 9.314 ( -3.584 -1.773 8.414) 9.316 9.790 ( -4.803 2.167 -5.614) 7.700 10.276 ( 4.748 1.608 -1.663) 5.282 10.346 ( 1.033 -0.661 -2.040) 2.380 10.850 ( 8.966 2.074 6.539) 11.289 11.074 ( -2.357 -2.751 -0.844) 3.720 11.159 ( 1.625 -9.037 -3.855) 9.959 11.344 ( 7.646 -0.960 -5.527) 9.484 13.834 ( -14.754 3.261 13.763) 20.439 14.146 ( -5.065 -1.137 -0.657) 5.233 22.230 ( 13.844 0.666 6.185) 15.178 22.786 ( 12.515 8.548 -9.872) 18.088 23.168 ( 3.794 -3.019 1.892) 5.205 23.584 ( 13.174 -8.777 -16.072) 22.558 25.280 ( 1.643 -2.527 1.263) 3.268 25.477 ( 0.633 -8.548 -6.830) 10.959 26.832 ( -5.554 4.030 5.198) 8.608 26.947 ( -9.022 2.228 4.701) 10.414 ======================= Grid point 253 (76/144) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 14.974 -1.020 4.736) 15.738 1.498 ( 12.739 -9.472 8.672) 18.089 1.594 ( 2.491 10.002 -7.015) 12.468 2.120 ( -1.183 -1.113 -9.930) 10.062 2.627 ( 20.768 -0.693 0.635) 20.790 2.824 ( 21.401 -2.848 -5.527) 22.286 3.123 ( 21.977 -7.300 9.410) 24.996 3.383 ( -14.626 4.890 8.153) 17.444 3.554 ( -6.993 -0.168 -0.841) 7.046 3.814 ( -2.263 1.208 1.737) 3.098 4.318 ( -0.198 -3.231 9.584) 10.116 5.114 ( 7.265 -1.896 -5.322) 9.203 5.236 ( 4.934 3.728 7.901) 10.033 5.544 ( 9.839 4.009 -10.201) 14.729 5.616 ( 17.182 1.373 -5.335) 18.043 6.050 ( -7.127 1.606 -7.771) 10.666 7.743 ( -13.808 7.643 3.782) 16.229 8.009 ( -10.045 2.862 -3.577) 11.040 9.280 ( -3.173 -2.150 6.942) 7.930 9.675 ( -5.713 2.993 -4.446) 7.834 10.331 ( 3.762 1.004 -2.210) 4.477 10.378 ( 2.199 -0.701 -2.636) 3.504 10.957 ( 4.860 -0.160 4.347) 6.523 11.081 ( 1.063 -1.767 1.080) 2.328 11.268 ( 1.306 -5.912 -3.511) 6.999 11.470 ( 6.750 -0.245 -4.110) 7.907 13.615 ( -9.759 1.143 13.639) 16.810 14.078 ( -4.783 -1.325 -3.115) 5.860 22.433 ( 12.372 2.156 5.802) 13.834 22.839 ( 4.019 4.390 -5.473) 8.085 23.274 ( 4.168 -4.579 3.305) 7.018 23.815 ( 9.567 0.273 -14.134) 17.069 25.334 ( 1.516 -2.292 1.341) 3.058 25.594 ( 2.037 -8.447 -9.702) 13.024 26.700 ( -5.130 3.187 5.760) 8.345 26.812 ( -6.204 0.824 3.913) 7.380 ======================= Grid point 254 (77/144) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 9.739 -4.872 3.180) 11.344 1.536 ( 3.655 8.485 -0.151) 9.240 1.834 ( 17.118 -5.655 3.885) 18.442 2.112 ( -0.935 -2.515 -6.877) 7.382 2.919 ( 8.895 -4.098 -4.265) 10.682 3.044 ( -15.628 5.099 6.327) 17.615 3.167 ( 16.558 -0.956 -3.984) 17.057 3.377 ( -9.731 1.679 0.631) 9.895 3.510 ( 17.632 -0.347 8.416) 19.541 3.812 ( 0.211 -1.026 4.236) 4.364 4.368 ( 0.441 -4.396 5.309) 6.907 5.071 ( -3.500 2.751 -11.000) 11.867 5.357 ( 7.335 0.295 8.628) 11.329 5.640 ( 5.075 2.953 -0.953) 5.948 5.845 ( 6.458 3.083 -7.554) 10.405 5.963 ( 4.444 -0.071 -6.325) 7.731 7.482 ( -9.782 4.827 5.960) 12.430 7.853 ( -6.717 1.011 -4.921) 8.388 9.261 ( -2.110 -2.308 5.225) 6.089 9.553 ( -4.940 3.158 -3.112) 6.638 10.373 ( 2.241 0.190 -2.017) 3.021 10.427 ( 2.849 -0.252 -3.218) 4.305 10.996 ( -0.416 -1.544 2.419) 2.900 11.157 ( 5.416 -1.133 2.673) 6.145 11.321 ( -0.225 -2.372 -2.486) 3.443 11.560 ( 4.254 0.164 -3.164) 5.304 13.484 ( -5.755 0.279 12.522) 13.784 14.025 ( -3.276 -1.068 -4.989) 6.063 22.571 ( 7.737 2.314 4.174) 9.090 22.844 ( 1.156 1.949 -3.726) 4.361 23.388 ( 3.554 -4.235 4.733) 7.278 23.908 ( 4.772 2.718 -9.755) 11.194 25.374 ( 0.793 -1.605 1.599) 2.400 25.706 ( 2.235 -5.406 -11.393) 12.807 26.608 ( -2.983 1.773 5.130) 6.193 26.725 ( -3.886 0.006 3.541) 5.257 ======================= Grid point 255 (78/144) ======================= q-point: ( 0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 3.466 -3.564 3.094) 5.855 1.522 ( 2.373 4.219 7.498) 8.925 2.026 ( 2.030 0.406 -0.680) 2.179 2.282 ( 16.842 -6.504 0.830) 18.073 2.651 ( -19.829 5.404 4.489) 21.037 3.047 ( -2.085 -1.910 -7.065) 7.610 3.287 ( 1.689 -0.065 -3.737) 4.101 3.395 ( 6.983 -1.207 -4.096) 8.185 3.674 ( 6.935 6.097 8.427) 12.501 3.834 ( -1.180 -4.250 2.895) 5.276 4.399 ( -0.517 -1.636 5.801) 6.049 5.017 ( -0.694 0.824 -11.458) 11.509 5.463 ( 5.741 0.077 3.481) 6.714 5.622 ( -3.365 0.922 0.352) 3.507 5.814 ( -0.937 1.294 -0.258) 1.618 6.111 ( 6.477 0.368 -6.573) 9.235 7.338 ( -3.527 1.570 7.328) 8.283 7.773 ( -2.397 0.155 -5.623) 6.114 9.260 ( -0.626 -1.331 3.846) 4.117 9.465 ( -2.116 1.691 -1.996) 3.364 10.398 ( 0.832 -0.026 -1.871) 2.048 10.464 ( 1.230 -0.036 -3.274) 3.498 10.999 ( -0.444 -0.688 2.584) 2.711 11.250 ( 4.198 -1.006 3.197) 5.371 11.314 ( -2.091 -0.069 -2.752) 3.456 11.603 ( 1.390 0.134 -2.696) 3.037 13.421 ( -1.942 0.033 11.859) 12.017 13.997 ( -1.151 -0.407 -5.987) 6.110 22.636 ( 2.551 0.952 2.958) 4.021 22.841 ( 0.203 0.548 -3.054) 3.109 23.463 ( 1.430 -1.733 5.354) 5.806 23.932 ( 1.395 1.346 -7.288) 7.542 25.393 ( 0.222 -0.577 1.758) 1.863 25.772 ( 0.937 -1.766 -12.207) 12.370 26.563 ( -1.030 0.614 4.932) 5.076 26.686 ( -1.251 -0.191 3.409) 3.636 ======================= Grid point 262 (79/144) ======================= q-point: ( 0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 6.030 0.000 17.480) 18.491 1.031 ( 11.253 0.000 14.615) 18.445 1.718 ( 8.028 0.000 -1.933) 8.257 2.123 ( -0.090 -0.000 -16.974) 16.974 2.197 ( 33.248 0.000 9.430) 34.559 2.481 ( 28.884 0.000 8.731) 30.175 2.585 ( 1.333 0.000 -11.038) 11.118 3.458 ( 8.526 0.000 -14.168) 16.535 3.791 ( -13.288 -0.000 9.681) 16.441 3.906 ( -6.782 -0.000 4.566) 8.176 4.297 ( 0.024 0.000 16.176) 16.176 4.782 ( 21.310 0.000 -1.560) 21.367 5.282 ( 0.357 0.000 -8.732) 8.740 5.324 ( 22.183 0.000 -22.727) 31.759 5.492 ( 3.524 0.000 10.995) 11.546 6.183 ( -4.931 -0.000 -6.108) 7.850 8.159 ( -14.590 -0.000 1.931) 14.718 8.311 ( -18.492 -0.000 -2.191) 18.622 9.299 ( -2.819 -0.000 9.206) 9.628 9.815 ( -4.512 -0.000 -5.962) 7.477 10.297 ( 4.325 0.000 -3.009) 5.269 10.337 ( 0.785 0.000 -1.528) 1.718 10.918 ( 12.160 0.000 6.205) 13.651 10.970 ( -1.086 -0.000 1.178) 1.602 11.073 ( 0.008 0.000 -1.963) 1.963 11.334 ( 8.472 0.000 -5.677) 10.198 13.873 ( -17.810 -0.000 13.007) 22.054 14.130 ( -5.316 -0.000 -0.098) 5.317 22.240 ( 15.119 0.000 6.955) 16.642 22.876 ( 3.206 0.000 -7.083) 7.775 23.230 ( 1.946 0.000 -2.318) 3.027 23.399 ( 30.274 0.000 -23.149) 38.110 25.255 ( 2.964 0.000 0.634) 3.031 25.372 ( 0.261 0.000 -2.576) 2.589 26.881 ( -5.230 -0.000 4.414) 6.844 26.970 ( -12.428 -0.000 6.716) 14.127 ======================= Grid point 263 (80/144) ======================= q-point: ( 0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 11.078 5.017 10.982) 16.386 1.326 ( 18.090 -5.674 6.603) 20.076 1.772 ( 2.757 4.903 -3.182) 6.463 2.108 ( -1.429 0.048 -15.620) 15.686 2.655 ( 18.476 3.623 1.951) 18.929 2.759 ( 23.129 -4.238 -0.134) 23.515 2.967 ( 26.301 -4.815 7.121) 27.670 3.494 ( -11.384 4.380 3.747) 12.760 3.550 ( -8.473 -0.728 1.872) 8.708 3.809 ( -3.163 -1.461 -2.086) 4.061 4.298 ( 0.234 0.976 14.825) 14.859 5.061 ( 8.853 -2.059 -4.368) 10.085 5.298 ( 3.158 1.636 5.823) 6.824 5.596 ( 11.644 0.998 -13.892) 18.154 5.637 ( 16.077 0.512 -4.394) 16.675 6.074 ( -7.923 0.572 -7.439) 10.883 7.878 ( -16.533 4.387 1.132) 17.143 8.029 ( -15.608 -0.562 -2.935) 15.891 9.262 ( -1.845 -0.008 8.307) 8.509 9.727 ( -5.160 1.470 -4.904) 7.269 10.348 ( 1.821 0.494 -2.108) 2.829 10.365 ( 3.082 -0.472 -3.559) 4.732 10.956 ( 0.652 -0.006 1.856) 1.967 11.054 ( 2.839 -0.660 1.104) 3.117 11.158 ( 7.380 -3.321 1.788) 8.288 11.469 ( 7.772 0.082 -4.098) 8.787 13.634 ( -11.279 0.496 13.271) 17.424 14.046 ( -5.411 -1.095 -2.364) 6.005 22.480 ( 14.332 1.645 7.298) 16.167 22.865 ( -2.668 -0.969 -1.820) 3.371 23.259 ( 4.144 1.581 -0.957) 4.538 23.824 ( 18.407 0.384 -24.634) 30.754 25.321 ( 4.683 1.234 -0.313) 4.853 25.425 ( 2.989 -6.364 -4.468) 8.330 26.762 ( -7.306 2.551 6.177) 9.901 26.806 ( -8.241 -1.283 6.067) 10.314 ======================= Grid point 264 (81/144) ======================= q-point: ( 0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 11.500 2.120 5.910) 13.103 1.704 ( 19.889 -3.330 2.777) 20.356 1.750 ( 5.619 7.042 -2.246) 9.285 2.081 ( -1.818 -0.449 -11.403) 11.556 2.871 ( 11.328 0.103 -0.069) 11.329 3.101 ( -4.826 0.288 7.379) 8.822 3.211 ( 4.997 3.534 1.846) 6.393 3.390 ( -0.901 -1.498 4.070) 4.430 3.430 ( 12.271 -2.629 2.667) 12.830 3.841 ( 2.775 -0.457 -1.548) 3.210 4.285 ( -1.293 -1.081 11.327) 11.452 5.102 ( -2.874 -0.116 -10.803) 11.180 5.371 ( 6.855 0.859 8.719) 11.124 5.696 ( 2.581 1.939 -2.955) 4.376 5.901 ( 7.099 2.092 -7.752) 10.717 5.957 ( 2.755 -0.548 -7.316) 7.836 7.575 ( -14.200 4.135 2.562) 15.010 7.827 ( -11.563 -2.851 -4.610) 12.771 9.240 ( -0.725 0.139 7.310) 7.347 9.626 ( -4.109 3.008 -3.605) 6.239 10.370 ( 1.195 -0.319 -1.595) 2.019 10.420 ( 2.893 -0.352 -4.293) 5.189 10.970 ( 0.430 -0.841 1.796) 2.029 11.124 ( 4.309 -1.836 -0.789) 4.750 11.280 ( 4.133 -1.203 3.168) 5.344 11.569 ( 4.881 0.592 -3.049) 5.785 13.492 ( -5.944 0.415 11.928) 13.333 13.986 ( -3.995 -2.062 -4.312) 6.230 22.633 ( 7.585 3.327 4.724) 9.535 22.837 ( -2.675 -2.355 -1.082) 3.724 23.334 ( 5.369 -0.865 2.675) 6.060 23.994 ( 7.506 4.525 -16.546) 18.724 25.369 ( 3.402 1.315 0.637) 3.702 25.582 ( 6.619 -6.064 -8.784) 12.559 26.639 ( -5.215 1.205 5.722) 7.835 26.704 ( -6.183 -1.642 4.928) 8.075 ======================= Grid point 265 (82/144) ======================= q-point: ( 0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 8.621 1.232 4.286) 9.707 1.711 ( 4.485 11.090 3.654) 12.508 2.031 ( 3.187 0.140 -2.853) 4.279 2.150 ( 17.801 -5.374 -1.921) 18.694 2.761 ( -19.421 4.546 7.061) 21.159 2.984 ( -0.382 -2.428 -3.500) 4.276 3.304 ( 1.060 1.284 -0.916) 1.900 3.390 ( 7.673 1.704 -2.361) 8.207 3.735 ( 6.963 -5.134 5.524) 10.264 3.844 ( 4.053 7.127 1.938) 8.425 4.303 ( -1.241 -6.058 8.188) 10.261 5.040 ( -2.760 1.136 -12.214) 12.573 5.475 ( 6.525 0.845 3.451) 7.430 5.642 ( -5.705 0.826 -0.198) 5.768 5.836 ( -3.739 0.729 -0.834) 3.900 6.117 ( 5.699 0.214 -6.941) 8.984 7.360 ( -8.599 0.892 4.936) 9.955 7.721 ( -6.483 -4.490 -5.657) 9.706 9.241 ( 1.001 -0.061 5.920) 6.004 9.540 ( -1.403 4.248 -2.571) 5.160 10.389 ( 0.316 -0.658 -1.542) 1.706 10.457 ( 0.926 -0.511 -4.044) 4.180 10.991 ( 1.580 -0.081 2.376) 2.854 11.220 ( 4.812 -1.743 -1.212) 5.259 11.315 ( -0.288 0.176 2.729) 2.750 11.613 ( 1.540 0.745 -2.660) 3.162 13.428 ( -1.555 0.575 11.051) 11.175 13.963 ( -1.869 -2.434 -5.545) 6.338 22.663 ( 0.128 1.559 2.667) 3.092 22.825 ( -1.947 -1.798 -1.948) 3.290 23.432 ( 4.831 -1.020 5.352) 7.281 24.010 ( 1.870 5.177 -10.398) 11.765 25.406 ( 3.104 1.726 1.492) 3.852 25.733 ( 6.085 -2.037 -11.040) 12.769 26.563 ( -3.652 -0.424 4.708) 5.974 26.651 ( -3.142 -2.654 4.322) 5.967 ======================= Grid point 266 (83/144) ======================= q-point: ( 0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 3.743 2.576 4.997) 6.754 1.628 ( 0.092 11.923 5.578) 13.164 2.018 ( -2.468 -0.005 0.380) 2.497 2.416 ( -15.449 5.762 3.793) 16.920 2.540 ( 20.873 -4.750 1.062) 21.433 3.023 ( 2.892 -3.510 -6.889) 8.255 3.318 ( 0.664 2.397 -3.098) 3.973 3.408 ( -4.385 0.740 -3.554) 5.693 3.635 ( -11.836 1.386 7.398) 14.026 3.934 ( 7.097 4.989 0.253) 8.679 4.357 ( 0.156 -5.259 6.966) 8.730 5.007 ( -0.988 -0.151 -11.517) 11.560 5.476 ( -5.921 1.162 2.577) 6.561 5.607 ( 1.898 -0.345 0.453) 1.982 5.781 ( -2.757 -1.791 1.097) 3.466 6.102 ( -7.357 -0.506 -6.131) 9.590 7.287 ( -1.925 -2.973 7.006) 7.850 7.711 ( -1.448 -5.236 -5.594) 7.798 9.274 ( 3.003 0.177 4.395) 5.326 9.499 ( 2.263 4.289 -2.102) 5.285 10.389 ( -1.316 -0.725 -1.607) 2.200 10.459 ( -1.253 -0.410 -3.694) 3.923 11.019 ( 2.422 1.120 2.714) 3.806 11.265 ( -3.805 0.374 7.329) 8.267 11.315 ( 3.932 -0.097 -6.471) 7.573 11.608 ( -1.269 0.520 -2.819) 3.134 13.427 ( 2.207 0.634 10.960) 11.198 13.977 ( 0.364 -2.203 -5.905) 6.313 22.623 ( -4.059 -0.256 2.350) 4.697 22.806 ( -3.312 -2.423 -3.008) 5.088 23.496 ( 2.787 1.126 5.763) 6.500 23.963 ( -1.289 3.858 -7.075) 8.161 25.430 ( 2.814 2.802 1.997) 4.445 25.813 ( 3.826 2.050 -11.669) 12.450 26.534 ( -1.603 -2.124 4.769) 5.461 26.655 ( -0.423 -2.937 3.112) 4.300 ======================= Grid point 267 (84/144) ======================= q-point: (-0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -1.254 7.836 1.956) 8.173 1.470 ( -4.750 7.146 2.800) 9.026 1.921 ( -9.617 2.405 6.251) 11.719 2.196 ( -2.736 5.231 -3.990) 7.125 2.909 ( 17.088 -5.203 2.556) 18.044 3.021 ( -12.844 1.959 -7.028) 14.772 3.225 ( -8.395 4.795 -4.298) 10.580 3.335 ( 4.588 -1.831 2.399) 5.491 3.459 ( -10.188 -2.484 8.007) 13.194 3.922 ( 0.120 7.218 0.650) 7.248 4.402 ( -0.196 -1.826 4.032) 4.431 5.012 ( 0.763 -2.234 -10.091) 10.363 5.358 ( -7.127 0.281 7.520) 10.364 5.582 ( -7.426 -2.239 1.676) 7.935 5.770 ( -7.880 -3.904 -7.159) 11.340 5.960 ( -4.946 -0.359 -5.001) 7.042 7.356 ( 3.796 -6.945 7.785) 11.102 7.778 ( 2.279 -5.715 -4.807) 7.808 9.322 ( 4.333 2.448 3.732) 6.220 9.529 ( 5.516 1.826 -2.417) 6.293 10.361 ( -3.136 -0.798 -1.660) 3.637 10.430 ( -2.356 0.015 -3.498) 4.217 11.034 ( 0.842 2.006 3.244) 3.906 11.175 ( -5.467 0.538 5.028) 7.447 11.368 ( 3.348 1.841 -5.462) 6.666 11.564 ( -3.501 0.474 -3.396) 4.900 13.483 ( 5.245 0.225 11.621) 12.752 14.020 ( 2.338 -1.645 -5.354) 6.069 22.537 ( -7.493 -0.919 2.994) 8.121 22.771 ( -5.388 -4.212 -3.861) 7.853 23.493 ( 0.741 4.714 5.084) 6.973 23.895 ( -3.362 1.636 -6.053) 7.115 25.434 ( 2.171 4.005 2.204) 5.061 25.817 ( 1.663 5.073 -11.197) 12.404 26.557 ( 0.849 -3.145 4.568) 5.611 26.695 ( 1.631 -2.820 2.225) 3.945 ======================= Grid point 268 (85/144) ======================= q-point: (-0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -10.059 15.819 -0.847) 18.766 1.423 ( -1.612 -4.465 -5.747) 7.454 1.704 ( -7.525 9.133 9.699) 15.301 2.155 ( -0.334 2.384 -6.692) 7.112 2.645 ( -26.373 0.184 -0.609) 26.381 2.921 ( -14.258 6.731 -6.875) 17.201 3.207 ( -5.813 1.074 7.228) 9.338 3.317 ( 5.485 -2.153 9.931) 11.548 3.548 ( 11.703 -1.450 -0.763) 11.817 3.829 ( -1.136 4.304 1.388) 4.663 4.386 ( -0.892 1.806 4.376) 4.817 5.090 ( 3.200 -4.340 -8.601) 10.151 5.195 ( -15.291 0.612 10.860) 18.765 5.439 ( -11.630 -5.161 -4.873) 13.625 5.575 ( -16.047 -2.533 -4.914) 16.973 6.010 ( 5.442 -1.904 -7.875) 9.760 7.550 ( 8.138 -10.665 6.611) 14.956 7.903 ( 4.895 -6.768 -3.721) 9.144 9.360 ( 5.254 4.756 4.415) 8.350 9.625 ( 6.452 -0.848 -3.399) 7.342 10.308 ( -4.643 -1.092 -1.355) 4.958 10.391 ( -2.016 0.430 -3.293) 3.885 10.968 ( -7.003 0.852 6.335) 9.482 11.123 ( 0.839 1.960 1.168) 2.431 11.379 ( 2.034 4.186 -6.200) 7.753 11.484 ( -5.284 1.105 -4.294) 6.898 13.591 ( 7.663 -0.995 12.892) 15.031 14.084 ( 3.733 -1.031 -3.956) 5.536 22.400 ( -10.591 -0.850 4.119) 11.396 22.716 ( -8.478 -5.898 -5.022) 11.484 23.425 ( -0.337 8.031 4.219) 9.078 23.818 ( -4.851 0.765 -6.981) 8.535 25.413 ( 1.124 5.000 2.218) 5.584 25.766 ( 0.558 7.494 -10.497) 12.910 26.625 ( 2.868 -3.875 4.430) 6.547 26.768 ( 3.457 -3.196 1.868) 5.064 ======================= Grid point 269 (86/144) ======================= q-point: (-0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -12.005 13.228 1.653) 17.939 1.448 ( -5.278 -0.052 -1.788) 5.573 1.520 ( -0.312 6.274 5.178) 8.141 2.060 ( -13.136 -1.640 -3.926) 13.808 2.243 ( -19.653 1.424 0.478) 19.711 2.614 ( -13.915 8.237 1.590) 16.248 2.920 ( -11.623 8.960 1.307) 14.734 3.486 ( 0.797 -1.152 -4.939) 5.134 3.629 ( 4.227 1.079 2.890) 5.232 3.905 ( 8.700 -1.726 6.076) 10.751 4.365 ( 1.752 2.790 8.300) 8.930 4.831 ( -22.452 1.034 0.976) 22.497 5.192 ( -3.096 -2.588 1.544) 4.320 5.297 ( -13.012 -4.236 -14.385) 19.854 5.416 ( -3.974 -3.978 1.017) 5.715 6.120 ( 4.380 -2.783 -7.576) 9.182 7.833 ( 10.430 -13.456 4.421) 17.589 8.077 ( 6.256 -8.623 -2.268) 10.893 9.390 ( 5.269 5.393 5.646) 9.419 9.739 ( 5.312 -2.035 -4.498) 7.252 10.241 ( -5.257 -1.537 -0.309) 5.485 10.359 ( -1.252 0.528 -2.980) 3.275 10.831 ( -8.387 0.125 7.512) 11.260 11.129 ( 2.433 2.584 -0.859) 3.652 11.344 ( 1.164 7.168 -7.470) 10.418 11.374 ( -6.110 1.863 -5.292) 8.295 13.755 ( 9.720 -3.661 14.099) 17.512 14.157 ( 4.131 -0.507 -1.898) 4.575 22.221 ( -11.679 -0.067 4.811) 12.632 22.611 ( -13.188 -6.476 -6.531) 16.079 23.323 ( -0.346 9.443 3.379) 10.035 23.712 ( -5.606 3.657 -8.845) 11.092 25.366 ( 0.111 5.427 2.103) 5.821 25.680 ( 0.309 9.506 -9.907) 13.733 26.730 ( 4.078 -5.116 4.559) 7.974 26.876 ( 4.869 -4.321 2.002) 6.810 ======================= Grid point 270 (87/144) ======================= q-point: (-0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 1.929 1.464 15.320) 15.510 1.213 ( -15.078 6.082 13.684) 21.250 1.519 ( -1.889 -0.576 -4.515) 4.928 1.791 ( -11.226 5.900 14.487) 19.254 2.068 ( -4.513 -2.317 -15.420) 16.233 2.215 ( -21.582 10.694 14.776) 28.257 2.796 ( 5.508 7.528 -9.529) 13.335 3.363 ( -9.135 3.232 -20.614) 22.777 3.751 ( 4.576 -4.705 10.834) 12.666 3.987 ( -0.133 0.920 8.573) 8.623 4.370 ( 2.479 3.747 9.106) 10.154 4.564 ( -7.013 0.788 -2.705) 7.557 4.913 ( -20.935 0.728 -15.220) 25.893 5.335 ( 2.174 -4.506 7.866) 9.322 5.414 ( -1.519 -1.520 -3.588) 4.182 6.200 ( 1.975 -2.368 -6.021) 6.765 8.147 ( 8.861 -13.884 3.014) 16.744 8.282 ( 5.391 -12.013 -0.486) 13.176 9.411 ( 3.739 4.487 6.719) 8.903 9.830 ( 2.993 -2.209 -5.591) 6.715 10.175 ( -4.747 -1.641 1.399) 5.214 10.339 ( -0.635 0.543 -2.676) 2.804 10.713 ( -5.622 0.133 7.655) 9.498 11.137 ( 1.840 2.683 -1.600) 3.626 11.253 ( -3.103 5.040 -7.244) 9.354 11.274 ( -0.833 7.378 -7.393) 10.478 13.982 ( 9.819 -8.535 12.861) 18.294 14.221 ( 3.148 -0.146 0.425) 3.180 22.047 ( -8.490 0.833 4.523) 9.655 22.424 ( -16.008 -3.364 -6.862) 17.739 23.220 ( -0.026 8.866 2.607) 9.241 23.560 ( -4.119 9.627 -9.457) 14.109 25.307 ( -0.239 4.881 1.947) 5.261 25.578 ( 0.243 10.211 -8.798) 13.481 26.850 ( 2.901 -5.552 4.473) 7.697 27.019 ( 5.260 -6.785 1.579) 8.729 ======================= Grid point 271 (88/144) ======================= q-point: (-0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.000 -5.992 22.725) 23.502 0.970 ( 0.000 -0.104 15.604) 15.604 1.478 ( -0.000 0.208 -5.156) 5.160 1.669 ( -0.000 11.915 30.489) 32.734 1.808 ( -0.000 11.362 12.619) 16.980 2.099 ( 0.000 -4.974 -20.357) 20.955 2.802 ( -0.000 5.987 -6.839) 9.089 3.226 ( -0.000 3.372 -28.903) 29.099 3.859 ( 0.000 -9.133 11.124) 14.393 3.952 ( -0.000 0.971 10.036) 10.083 4.353 ( -0.000 3.768 8.455) 9.257 4.536 ( -0.000 4.101 -6.571) 7.746 4.666 ( -0.000 1.297 -11.059) 11.135 5.371 ( -0.000 4.542 -16.082) 16.711 5.418 ( 0.000 -4.798 22.018) 22.534 6.236 ( 0.000 -1.517 -4.612) 4.855 8.343 ( 0.000 -8.255 3.340) 8.905 8.500 ( 0.000 -16.822 -0.788) 16.840 9.408 ( -0.000 2.274 7.722) 8.050 9.876 ( 0.000 -1.700 -6.450) 6.670 10.142 ( 0.000 -0.939 2.645) 2.806 10.327 ( -0.000 0.563 -2.399) 2.465 10.662 ( -0.000 0.289 7.187) 7.193 11.120 ( -0.000 3.638 -1.760) 4.042 11.165 ( -0.000 10.310 -5.388) 11.633 11.189 ( -0.000 1.962 -7.881) 8.122 14.186 ( 0.000 -9.175 6.163) 11.053 14.262 ( 0.000 -2.780 2.875) 3.999 21.962 ( -0.000 0.881 4.086) 4.180 22.259 ( -0.000 1.386 -4.393) 4.606 23.136 ( -0.000 6.706 2.097) 7.026 23.397 ( -0.000 13.262 -7.761) 15.366 25.260 ( -0.000 3.382 1.744) 3.806 25.476 ( -0.000 8.779 -6.649) 11.013 26.926 ( 0.000 -4.118 4.727) 6.269 27.156 ( 0.000 -8.207 -0.627) 8.231 ======================= Grid point 274 (89/144) ======================= q-point: ( 0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 9.676 0.000 7.580) 12.291 1.650 ( 23.618 0.000 0.465) 23.623 1.843 ( 3.951 0.000 0.427) 3.974 2.083 ( -1.967 -0.000 -15.251) 15.377 2.892 ( 10.849 0.000 1.961) 11.025 3.096 ( 5.175 0.000 6.668) 8.440 3.219 ( 3.283 0.000 12.568) 12.990 3.407 ( -9.244 -0.000 1.023) 9.300 3.409 ( 17.398 0.000 -2.565) 17.586 3.793 ( 0.628 0.000 -3.378) 3.436 4.301 ( -1.556 -0.000 12.620) 12.715 5.091 ( -1.193 -0.000 -9.930) 10.002 5.383 ( 5.964 0.000 8.243) 10.175 5.717 ( 1.687 0.000 -3.494) 3.879 5.931 ( 17.175 0.000 -7.741) 18.839 5.943 ( -7.597 -0.000 -7.791) 10.881 7.637 ( -16.116 -0.000 0.210) 16.118 7.777 ( -13.547 -0.000 -3.670) 14.036 9.246 ( -0.363 -0.000 7.960) 7.969 9.661 ( -3.827 -0.000 -3.684) 5.312 10.366 ( 0.858 0.000 -1.307) 1.564 10.416 ( 2.736 0.000 -5.054) 5.746 10.961 ( 1.085 0.000 1.599) 1.932 11.099 ( 3.859 0.000 -1.891) 4.298 11.269 ( 5.964 0.000 5.701) 8.251 11.577 ( 5.120 0.000 -3.013) 5.940 13.498 ( -5.868 -0.000 11.337) 12.765 13.960 ( -4.285 -0.000 -3.927) 5.812 22.687 ( 9.030 0.000 4.990) 10.317 22.790 ( -4.773 -0.000 0.459) 4.795 23.329 ( 4.635 0.000 1.414) 4.846 24.053 ( 8.415 0.000 -20.747) 22.389 25.412 ( 2.644 0.000 -1.041) 2.842 25.483 ( 10.885 0.000 -5.376) 12.140 26.664 ( -6.228 -0.000 7.728) 9.926 26.671 ( -7.202 -0.000 3.825) 8.154 ======================= Grid point 275 (90/144) ======================= q-point: ( 0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 8.570 0.731 4.229) 9.585 1.910 ( 6.918 5.870 3.474) 9.716 2.028 ( 9.129 -0.509 -4.553) 10.214 2.069 ( 12.768 -2.012 -6.731) 14.573 2.832 ( -19.480 1.818 9.182) 21.612 2.968 ( -1.345 0.477 0.829) 1.650 3.333 ( 2.255 1.226 1.342) 2.896 3.453 ( 11.450 1.732 -0.179) 11.582 3.671 ( 9.991 2.357 3.569) 10.868 3.844 ( 3.367 -7.421 -2.053) 8.403 4.243 ( -3.973 0.825 10.966) 11.692 5.056 ( -2.619 0.258 -12.038) 12.322 5.491 ( 7.362 0.462 3.023) 7.972 5.654 ( -7.486 0.273 -0.585) 7.514 5.846 ( -5.384 0.208 -0.956) 5.472 6.121 ( 5.163 0.075 -7.127) 8.801 7.388 ( -12.507 1.449 1.769) 12.715 7.619 ( -8.380 -3.721 -5.012) 10.450 9.250 ( 1.354 0.512 7.557) 7.694 9.611 ( -0.869 1.884 -2.770) 3.461 10.377 ( 0.143 -0.361 -1.258) 1.317 10.447 ( 0.842 -0.326 -4.903) 4.986 10.992 ( 2.786 0.136 2.113) 3.499 11.186 ( 5.828 -1.108 -2.614) 6.483 11.319 ( 0.361 0.174 5.722) 5.736 11.628 ( 1.577 0.479 -2.686) 3.151 13.441 ( -1.043 0.492 9.649) 9.718 13.914 ( -2.345 -1.553 -4.942) 5.686 22.699 ( -3.460 1.580 1.462) 4.075 22.779 ( -0.473 -1.957 -0.107) 2.016 23.420 ( 6.047 -0.232 5.350) 8.078 24.108 ( 1.307 2.884 -13.826) 14.184 25.456 ( 4.516 2.191 0.561) 5.051 25.684 ( 11.075 -1.983 -8.465) 14.080 26.555 ( -6.311 -0.130 4.245) 7.607 26.596 ( -3.956 -1.872 5.294) 6.869 ======================= Grid point 276 (91/144) ======================= q-point: ( 0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 6.145 1.701 5.008) 8.107 1.877 ( -0.622 8.814 -0.996) 8.892 2.041 ( 1.086 2.384 3.603) 4.455 2.451 ( 19.250 -2.816 2.773) 19.652 2.526 ( -11.522 3.668 1.303) 12.162 2.950 ( 0.964 -2.398 -4.182) 4.916 3.380 ( 4.160 3.415 0.923) 5.461 3.467 ( -3.585 4.655 -2.442) 6.363 3.658 ( -9.547 0.126 4.876) 10.721 4.002 ( 7.419 -0.982 -4.261) 8.612 4.223 ( -0.111 -4.696 10.851) 11.824 5.013 ( -1.669 0.728 -12.842) 12.971 5.503 ( -7.474 1.103 1.239) 7.655 5.606 ( 3.290 0.112 -0.474) 3.326 5.742 ( -7.270 -1.670 3.562) 8.266 6.091 ( -8.172 -0.438 -5.758) 10.006 7.230 ( -7.027 -1.840 4.904) 8.764 7.582 ( -2.936 -5.796 -5.706) 8.647 9.283 ( 3.645 0.661 6.576) 7.547 9.596 ( 2.737 3.790 -2.601) 5.350 10.374 ( -1.267 -0.580 -1.240) 1.865 10.449 ( -0.943 -0.404 -4.561) 4.675 11.042 ( 3.771 0.898 2.632) 4.686 11.269 ( -2.376 0.039 8.030) 8.375 11.308 ( 3.969 -0.481 -5.683) 6.949 11.622 ( -1.340 0.711 -2.998) 3.360 13.447 ( 2.613 1.089 8.905) 9.344 13.917 ( -0.302 -2.828 -5.336) 6.047 22.624 ( -4.683 0.317 1.292) 4.868 22.752 ( -5.059 -2.201 -2.379) 6.008 23.512 ( 5.138 0.474 6.567) 8.351 24.059 ( -2.202 4.074 -8.826) 9.967 25.505 ( 5.273 3.729 1.972) 6.753 25.852 ( 8.724 1.391 -9.998) 13.342 26.479 ( -4.628 -2.673 4.523) 7.001 26.580 ( -1.506 -3.281 3.155) 4.794 ======================= Grid point 277 (92/144) ======================= q-point: (-0.55 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.593 4.973 6.197) 7.968 1.736 ( -4.623 9.226 0.207) 10.322 1.989 ( -1.300 6.205 6.307) 8.942 2.314 ( -4.580 5.155 -0.599) 6.921 2.811 ( 14.864 -3.658 -0.826) 15.330 3.015 ( -1.351 -1.463 -2.573) 3.254 3.310 ( -8.343 -0.224 2.674) 8.764 3.361 ( -0.926 6.141 -3.342) 7.053 3.454 ( -8.365 2.564 3.032) 9.260 4.059 ( 1.404 4.162 -6.206) 7.604 4.301 ( 1.088 -6.287 7.965) 10.205 4.987 ( -1.179 -0.064 -10.827) 10.891 5.366 ( -8.060 0.362 6.154) 10.147 5.547 ( -9.348 -1.172 3.857) 10.180 5.684 ( -9.616 -3.908 -6.281) 12.133 5.950 ( -5.061 -0.552 -3.787) 6.345 7.199 ( -2.906 -7.098 7.820) 10.954 7.634 ( 0.695 -6.849 -5.473) 8.794 9.352 ( 5.721 0.846 5.162) 7.752 9.617 ( 5.647 5.015 -2.762) 8.042 10.345 ( -3.013 -0.546 -1.130) 3.264 10.428 ( -1.901 -0.152 -4.339) 4.740 11.079 ( 1.482 2.074 3.667) 4.466 11.180 ( -5.497 -0.049 6.452) 8.477 11.395 ( 5.077 0.622 -5.807) 7.738 11.577 ( -3.148 0.712 -3.644) 4.868 13.497 ( 4.929 1.098 9.188) 10.484 13.961 ( 1.443 -3.467 -5.126) 6.355 22.531 ( -6.698 0.395 1.467) 6.869 22.683 ( -7.160 -3.834 -2.935) 8.635 23.567 ( 3.447 2.236 5.459) 6.832 23.963 ( -4.104 3.906 -5.711) 8.045 25.540 ( 4.968 5.507 2.731) 7.904 25.927 ( 5.002 5.156 -9.649) 12.029 26.472 ( -1.193 -4.747 4.137) 6.409 26.613 ( 0.235 -4.435 1.411) 4.660 ======================= Grid point 278 (93/144) ======================= q-point: (-0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -2.840 4.259 0.125) 5.121 1.523 ( -5.800 14.450 -0.296) 15.573 1.888 ( -0.897 9.024 7.614) 11.841 2.235 ( -0.944 5.056 -5.720) 7.692 2.642 ( -26.507 0.216 0.902) 26.523 3.089 ( -9.629 7.354 -2.153) 12.306 3.213 ( 12.645 -3.212 6.718) 14.675 3.269 ( -5.988 2.141 4.809) 7.973 3.507 ( 11.401 -1.677 -3.336) 11.997 3.970 ( -4.074 6.846 -4.660) 9.229 4.368 ( 0.553 -3.416 4.764) 5.888 4.997 ( 0.825 -3.397 -8.693) 9.370 5.215 ( -13.643 0.697 10.509) 17.235 5.346 ( -16.216 -3.263 -2.046) 16.667 5.507 ( -13.015 -3.849 -3.765) 14.085 5.973 ( 3.583 -1.517 -7.105) 8.100 7.289 ( 0.701 -13.043 8.936) 15.826 7.742 ( 2.842 -7.676 -4.861) 9.520 9.440 ( 6.754 2.137 3.991) 8.131 9.668 ( 6.870 4.605 -2.856) 8.750 10.289 ( -4.588 -0.526 -0.676) 4.667 10.396 ( -1.941 0.113 -4.169) 4.600 10.992 ( -7.908 1.336 7.705) 11.121 11.160 ( 2.225 1.432 1.583) 3.083 11.446 ( 2.952 2.219 -6.360) 7.355 11.510 ( -3.710 1.101 -4.611) 6.020 13.580 ( 6.116 0.111 10.386) 12.053 14.033 ( 2.633 -3.549 -4.319) 6.179 22.396 ( -9.485 0.382 2.482) 9.812 22.607 ( -7.723 -4.201 -3.525) 9.471 23.573 ( 1.983 5.134 3.711) 6.638 23.854 ( -4.654 2.623 -4.109) 6.740 25.544 ( 3.774 7.018 3.005) 8.516 25.918 ( 2.361 6.843 -8.318) 11.027 26.531 ( 1.571 -5.007 2.961) 6.025 26.678 ( 1.520 -5.021 0.364) 5.258 ======================= Grid point 279 (94/144) ======================= q-point: (-0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -8.919 17.877 -3.526) 20.288 1.410 ( 1.919 2.833 -6.346) 7.209 1.744 ( -6.868 9.769 6.441) 13.568 2.063 ( -14.456 2.527 -0.454) 14.682 2.291 ( -11.800 3.683 2.685) 12.649 2.810 ( -11.589 8.953 3.724) 15.110 3.087 ( -7.710 7.012 -1.257) 10.497 3.444 ( 6.663 -2.263 0.898) 7.094 3.683 ( 4.950 1.114 -2.650) 5.724 3.880 ( 4.272 1.230 3.810) 5.855 4.403 ( 2.371 0.440 4.261) 4.896 4.850 ( -23.864 0.521 1.361) 23.908 5.095 ( 2.913 -5.744 1.107) 6.534 5.199 ( -12.921 -5.084 -6.371) 15.277 5.350 ( -8.285 -1.597 -0.972) 8.493 6.056 ( 3.273 -3.012 -8.670) 9.744 7.492 ( 3.522 -17.906 7.809) 19.850 7.886 ( 3.958 -8.797 -3.964) 10.429 9.514 ( 6.756 4.754 3.418) 8.940 9.734 ( 5.780 2.432 -3.093) 6.992 10.214 ( -5.383 -0.833 0.454) 5.466 10.367 ( -1.473 0.176 -3.856) 4.131 10.847 ( -7.798 1.186 8.466) 11.571 11.182 ( 2.700 2.221 -0.302) 3.509 11.412 ( -4.121 1.923 -5.239) 6.938 11.466 ( 1.441 3.970 -7.922) 8.978 13.691 ( 6.385 -2.052 12.156) 13.883 14.116 ( 2.989 -3.270 -2.979) 5.338 22.227 ( -10.314 0.554 3.698) 10.971 22.515 ( -8.585 -2.819 -4.441) 10.068 23.520 ( 0.586 8.223 2.607) 8.647 23.765 ( -3.576 1.724 -4.100) 5.707 25.510 ( 2.096 7.951 3.022) 8.761 25.867 ( 1.302 7.894 -7.859) 11.215 26.620 ( 2.636 -5.150 2.450) 6.283 26.767 ( 2.346 -5.677 -0.028) 6.143 ======================= Grid point 280 (95/144) ======================= q-point: (-0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -1.030 19.104 0.755) 19.146 1.308 ( -18.770 4.660 6.336) 20.352 1.522 ( -2.470 0.928 -8.078) 8.498 1.921 ( 0.192 2.916 3.844) 4.829 2.089 ( -4.799 8.294 1.291) 9.669 2.478 ( -16.439 12.414 14.082) 24.953 2.963 ( 3.166 7.863 -7.739) 11.478 3.421 ( -7.154 1.741 -16.309) 17.894 3.724 ( 4.636 1.530 7.552) 8.992 3.996 ( 3.386 -0.390 9.024) 9.646 4.442 ( 3.923 2.236 7.239) 8.531 4.555 ( -9.222 -0.944 -4.117) 10.144 4.944 ( -18.217 1.605 -12.923) 22.393 5.200 ( 0.986 -6.876 13.611) 15.281 5.331 ( -0.843 -5.588 -6.992) 8.990 6.134 ( 1.805 -3.613 -8.046) 9.003 7.766 ( 4.005 -20.678 5.626) 21.801 8.050 ( 3.327 -10.139 -2.589) 10.981 9.545 ( 4.684 7.142 3.244) 9.136 9.795 ( 3.124 -0.271 -3.738) 4.879 10.144 ( -4.355 -1.265 2.172) 5.028 10.347 ( -0.787 0.164 -3.432) 3.525 10.730 ( -4.742 1.306 8.617) 9.922 11.197 ( 2.384 2.698 -1.287) 3.824 11.317 ( -4.031 2.774 -6.227) 7.919 11.435 ( 0.984 5.777 -9.527) 11.185 13.827 ( 5.174 -5.579 13.629) 15.610 14.192 ( 2.196 -2.687 -1.332) 3.717 22.069 ( -7.462 1.166 4.305) 8.694 22.393 ( -7.829 0.067 -4.937) 9.256 23.427 ( 0.009 9.583 2.386) 9.875 23.694 ( -2.036 3.549 -5.327) 6.717 25.446 ( 0.652 7.949 2.841) 8.466 25.791 ( 0.656 9.207 -8.462) 12.522 26.721 ( 2.161 -6.023 2.784) 6.978 26.873 ( 2.274 -6.815 0.031) 7.185 ======================= Grid point 281 (96/144) ======================= q-point: (-0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.000 13.754 11.761) 18.097 0.975 ( -0.000 0.621 10.702) 10.720 1.502 ( -0.000 1.912 -7.088) 7.341 1.945 ( -0.000 2.356 6.110) 6.548 1.996 ( -0.000 6.790 0.517) 6.810 2.103 ( -0.000 15.243 13.031) 20.054 2.942 ( -0.000 6.683 -5.543) 8.683 3.307 ( -0.000 3.634 -24.785) 25.050 3.762 ( 0.000 -0.768 9.963) 9.993 3.984 ( -0.000 1.963 9.990) 10.181 4.453 ( -0.000 3.460 11.121) 11.646 4.551 ( 0.000 -0.597 -12.452) 12.467 4.708 ( -0.000 2.617 -11.299) 11.598 5.284 ( 0.000 -7.194 22.234) 23.369 5.381 ( 0.000 -3.707 -14.153) 14.630 6.185 ( 0.000 -3.131 -6.690) 7.387 8.030 ( 0.000 -20.328 3.826) 20.685 8.194 ( 0.000 -11.222 -0.884) 11.257 9.507 ( -0.000 6.863 4.207) 8.050 9.834 ( 0.000 -1.816 -4.853) 5.181 10.118 ( 0.000 -1.244 3.087) 3.328 10.338 ( -0.000 0.317 -3.133) 3.149 10.676 ( -0.000 1.131 8.322) 8.398 11.191 ( -0.000 3.254 -0.437) 3.283 11.244 ( -0.000 2.945 -8.077) 8.597 11.372 ( -0.000 7.697 -10.056) 12.664 13.958 ( 0.000 -9.291 13.510) 16.396 14.236 ( 0.000 -1.732 0.096) 1.735 21.988 ( -0.000 1.480 4.313) 4.560 22.300 ( -0.000 2.329 -4.589) 5.146 23.322 ( -0.000 9.812 2.401) 10.102 23.620 ( -0.000 6.875 -6.976) 9.794 25.370 ( -0.000 6.808 2.470) 7.242 25.692 ( -0.000 10.271 -9.199) 13.788 26.808 ( 0.000 -6.422 3.580) 7.352 26.976 ( 0.000 -8.053 0.265) 8.057 ======================= Grid point 286 (97/144) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 6.811 0.000 3.997) 7.897 1.963 ( -6.666 -0.000 -5.985) 8.959 2.085 ( 8.156 0.000 6.931) 10.703 2.418 ( 20.874 0.000 0.482) 20.880 2.568 ( -12.187 -0.000 3.246) 12.612 2.927 ( -0.618 -0.000 -2.104) 2.192 3.436 ( 6.675 0.000 2.485) 7.122 3.526 ( -5.577 -0.000 -0.523) 5.601 3.677 ( -8.088 -0.000 2.511) 8.469 3.920 ( 8.946 0.000 -1.835) 9.133 4.197 ( -0.589 -0.000 8.576) 8.596 5.025 ( -1.528 -0.000 -13.599) 13.684 5.516 ( -8.965 -0.000 0.565) 8.983 5.608 ( 5.752 0.000 -1.568) 5.962 5.721 ( -10.254 -0.000 5.509) 11.640 6.086 ( -8.530 -0.000 -5.611) 10.210 7.212 ( -9.775 -0.000 3.708) 10.454 7.510 ( -2.557 -0.000 -5.725) 6.270 9.292 ( 3.584 0.000 7.547) 8.355 9.639 ( 2.920 0.000 -2.742) 4.006 10.367 ( -1.086 -0.000 -1.156) 1.586 10.445 ( -0.753 -0.000 -4.917) 4.974 11.053 ( 4.244 0.000 2.494) 4.923 11.268 ( -0.491 -0.000 6.759) 6.777 11.301 ( 2.588 0.000 -3.505) 4.357 11.631 ( -1.410 -0.000 -3.089) 3.395 13.462 ( 2.905 0.000 7.722) 8.250 13.882 ( -0.621 -0.000 -4.918) 4.957 22.630 ( -4.726 -0.000 0.664) 4.772 22.726 ( -5.630 -0.000 -1.940) 5.955 23.517 ( 5.766 0.000 6.956) 9.035 24.107 ( -2.871 -0.000 -9.834) 10.245 25.554 ( 6.043 0.000 1.611) 6.255 25.867 ( 11.710 0.000 -8.755) 14.620 26.444 ( -6.565 -0.000 4.520) 7.970 26.541 ( -1.870 -0.000 3.061) 3.587 ======================= Grid point 287 (98/144) ======================= q-point: ( 0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 4.312 1.918 4.847) 6.765 1.818 ( -9.653 0.888 2.624) 10.043 2.155 ( 4.332 5.697 4.089) 8.243 2.392 ( -5.096 1.795 2.260) 5.856 2.758 ( 14.625 -1.230 -3.463) 15.080 2.990 ( 6.032 -0.609 -0.073) 6.063 3.310 ( -16.097 0.109 3.339) 16.440 3.485 ( 0.039 4.963 3.438) 6.037 3.529 ( -5.029 2.588 -3.620) 6.715 4.030 ( 0.571 -5.009 -8.394) 9.792 4.232 ( 3.667 -0.026 8.617) 9.365 5.000 ( -1.275 0.808 -13.707) 13.790 5.370 ( -9.023 -0.002 6.043) 10.860 5.529 ( -12.424 -0.437 5.228) 13.487 5.617 ( -9.751 -1.879 -5.353) 11.281 5.940 ( -4.995 -0.259 -3.146) 5.909 7.084 ( -7.885 -3.013 7.430) 11.246 7.521 ( 1.210 -3.047 -6.449) 7.235 9.366 ( 5.802 0.402 6.913) 9.034 9.699 ( 5.744 2.128 -3.198) 6.910 10.340 ( -2.492 -0.069 -0.935) 2.663 10.426 ( -1.593 -0.077 -4.827) 5.084 11.117 ( 3.469 1.230 2.987) 4.740 11.174 ( -7.145 -0.402 7.928) 10.680 11.398 ( 5.973 -0.088 -5.142) 7.882 11.590 ( -3.151 0.397 -3.883) 5.016 13.523 ( 5.016 0.956 6.775) 8.484 13.894 ( 0.779 -2.080 -4.505) 5.023 22.551 ( -5.143 1.214 0.020) 5.284 22.614 ( -8.536 -2.372 -1.890) 9.058 23.596 ( 4.256 0.576 6.020) 7.395 24.030 ( -5.026 1.836 -6.475) 8.400 25.642 ( 6.674 3.141 2.829) 7.900 26.026 ( 9.115 3.393 -8.748) 13.082 26.369 ( -4.322 -3.840 4.763) 7.490 26.534 ( -0.491 -2.222 0.786) 2.408 ======================= Grid point 288 (99/144) ======================= q-point: (-0.55 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -3.252 6.204 4.349) 8.245 1.684 ( -4.507 1.694 4.813) 6.808 2.119 ( 2.119 10.846 0.891) 11.086 2.339 ( 0.797 3.422 -2.768) 4.473 2.665 ( -24.077 1.457 3.187) 24.331 3.103 ( -1.564 -3.669 11.759) 12.417 3.206 ( 7.843 2.915 2.098) 8.626 3.408 ( -2.256 6.674 -3.395) 7.821 3.496 ( 7.262 2.040 -8.003) 10.998 4.032 ( -5.496 -2.869 -12.666) 14.102 4.296 ( 3.592 -1.153 9.939) 10.631 4.959 ( -3.569 -0.391 -11.141) 11.705 5.221 ( -10.465 0.033 11.323) 15.418 5.302 ( -18.732 -0.708 -1.208) 18.784 5.416 ( -11.822 -4.371 -2.527) 12.855 5.947 ( 2.393 -0.865 -5.750) 6.288 7.036 ( -5.761 -9.359 10.549) 15.234 7.599 ( 2.779 -5.120 -6.963) 9.079 9.466 ( 6.985 0.677 5.814) 9.114 9.771 ( 6.972 3.936 -3.291) 8.656 10.287 ( -3.931 0.243 -0.448) 3.964 10.397 ( -1.852 0.014 -4.646) 5.001 11.019 ( -8.568 1.017 8.581) 12.168 11.183 ( 3.351 0.753 1.886) 3.918 11.478 ( 3.902 0.717 -5.688) 6.935 11.528 ( -3.535 0.622 -4.671) 5.891 13.596 ( 5.475 1.262 7.086) 9.044 13.948 ( 1.754 -3.838 -3.944) 5.776 22.412 ( -9.737 0.990 1.044) 9.843 22.535 ( -5.263 -2.553 -2.384) 6.316 23.641 ( 2.889 1.641 3.914) 5.134 23.917 ( -5.734 2.613 -3.917) 7.420 25.694 ( 5.791 6.251 3.466) 9.199 26.066 ( 3.482 7.102 -5.648) 9.719 26.405 ( 0.953 -6.815 1.898) 7.138 26.571 ( 0.582 -4.335 -0.701) 4.430 ======================= Grid point 289 (100/144) ======================= q-point: (-0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -7.191 5.424 1.417) 9.118 1.596 ( -0.453 7.699 -1.629) 7.882 1.944 ( -13.853 9.736 2.153) 17.068 2.188 ( -10.017 8.823 -0.741) 13.370 2.387 ( -2.038 3.864 5.449) 6.984 2.947 ( -10.805 3.363 10.163) 15.210 3.254 ( -4.234 8.886 -6.798) 11.963 3.402 ( 8.974 -1.103 0.921) 9.089 3.652 ( 8.482 -2.201 -2.914) 9.234 3.950 ( -2.498 2.504 -4.120) 5.429 4.380 ( 4.621 -2.149 5.422) 7.441 4.821 ( -21.351 -3.694 -4.095) 22.052 5.027 ( -2.861 0.864 0.186) 2.994 5.103 ( -10.618 -3.311 4.746) 12.093 5.316 ( -7.095 -2.343 -3.746) 8.358 5.998 ( 1.763 -2.212 -9.021) 9.454 7.108 ( -2.522 -16.586 11.614) 20.405 7.714 ( 3.216 -6.986 -7.027) 10.418 9.568 ( 6.630 1.027 4.540) 8.101 9.833 ( 6.656 5.275 -2.960) 8.994 10.209 ( -5.083 0.444 0.547) 5.131 10.368 ( -1.668 0.003 -4.241) 4.557 10.875 ( -7.404 1.252 9.035) 11.748 11.222 ( 2.954 1.507 0.454) 3.348 11.450 ( -3.663 1.521 -5.433) 6.727 11.523 ( 2.112 1.463 -6.762) 7.234 13.672 ( 4.833 0.214 8.518) 9.796 14.026 ( 2.071 -4.743 -3.254) 6.114 22.241 ( -9.886 0.625 2.991) 10.348 22.477 ( -4.473 -0.938 -3.668) 5.860 23.651 ( 1.562 3.725 1.906) 4.466 23.804 ( -4.559 2.100 -2.238) 5.496 25.693 ( 3.870 8.520 3.630) 10.037 26.024 ( 1.309 6.945 -3.629) 7.945 26.506 ( 2.565 -5.696 -0.145) 6.249 26.641 ( 1.131 -5.795 -1.407) 6.070 ======================= Grid point 290 (101/144) ======================= q-point: (-0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -13.723 5.453 0.671) 14.782 1.521 ( -1.843 12.823 -0.236) 12.957 1.576 ( -8.916 5.372 -2.235) 10.647 2.007 ( -4.330 7.975 -3.214) 9.627 2.325 ( 4.113 10.456 8.836) 14.294 2.708 ( -11.736 8.567 11.668) 18.635 3.133 ( 1.466 8.098 -8.277) 11.672 3.431 ( -5.124 -0.627 -10.198) 11.430 3.768 ( 4.398 1.201 4.342) 6.296 3.980 ( 6.787 -0.104 7.901) 10.416 4.448 ( -5.167 -1.059 10.149) 11.438 4.545 ( -4.621 -1.181 -8.830) 10.036 4.942 ( -12.167 -1.857 -9.793) 15.729 5.071 ( 0.899 -4.433 12.119) 12.935 5.239 ( -3.740 -2.116 -6.711) 7.969 6.053 ( 1.055 -3.727 -10.068) 10.788 7.299 ( 0.018 -21.853 10.353) 24.181 7.846 ( 2.481 -8.722 -6.248) 11.012 9.648 ( 4.665 1.805 2.958) 5.811 9.863 ( 4.358 6.305 -2.939) 8.209 10.125 ( -4.630 -0.305 2.449) 5.247 10.346 ( -1.031 -0.123 -3.646) 3.791 10.763 ( -4.258 1.667 9.103) 10.187 11.248 ( 2.564 1.990 -0.473) 3.279 11.372 ( -3.375 2.227 -6.322) 7.505 11.524 ( 0.937 2.762 -8.303) 8.800 13.747 ( 3.207 -1.979 10.567) 11.218 14.109 ( 1.508 -4.864 -2.419) 5.638 22.095 ( -6.596 1.134 4.305) 7.957 22.410 ( -3.583 1.160 -4.643) 5.978 23.604 ( -0.181 6.581 1.318) 6.714 23.739 ( -1.556 1.169 -2.186) 2.927 25.639 ( 1.690 9.696 3.601) 10.480 25.965 ( 0.706 7.110 -4.044) 8.210 26.600 ( 1.762 -5.252 -0.170) 5.542 26.727 ( 1.040 -6.750 -1.557) 7.005 ======================= Grid point 291 (102/144) ======================= q-point: (-0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -0.000 1.309 7.324) 7.440 1.239 ( -0.000 21.769 3.421) 22.036 1.552 ( -0.000 2.565 -9.586) 9.923 1.895 ( -0.000 1.943 -9.933) 10.121 2.289 ( -0.000 12.621 16.463) 20.744 2.426 ( -0.000 14.249 12.202) 18.760 3.088 ( -0.000 7.012 -6.040) 9.255 3.360 ( -0.000 1.056 -18.200) 18.231 3.784 ( -0.000 2.141 8.195) 8.470 4.031 ( -0.000 2.165 10.054) 10.284 4.395 ( 0.000 -5.989 9.038) 10.842 4.600 ( -0.000 1.920 -11.389) 11.549 4.774 ( -0.000 3.363 -11.049) 11.549 5.134 ( 0.000 -6.149 20.648) 21.544 5.262 ( 0.000 -5.819 -12.294) 13.602 6.106 ( 0.000 -4.130 -9.233) 10.114 7.550 ( 0.000 -23.606 7.912) 24.897 7.969 ( 0.000 -9.915 -4.523) 10.898 9.657 ( -0.000 4.886 1.707) 5.176 9.838 ( -0.000 3.879 -3.011) 4.911 10.092 ( 0.000 -1.112 3.639) 3.806 10.340 ( 0.000 -0.124 -3.374) 3.376 10.709 ( -0.000 1.799 8.983) 9.162 11.253 ( -0.000 2.410 0.492) 2.460 11.308 ( -0.000 2.854 -8.252) 8.732 11.495 ( -0.000 4.086 -9.545) 10.382 13.810 ( 0.000 -4.528 12.475) 13.271 14.171 ( 0.000 -4.224 -1.631) 4.528 22.022 ( -0.000 1.605 4.610) 4.882 22.354 ( -0.000 2.530 -4.846) 5.467 23.522 ( -0.000 8.211 1.765) 8.398 23.710 ( -0.000 2.221 -3.392) 4.054 25.547 ( -0.000 9.529 3.368) 10.106 25.890 ( -0.000 8.090 -6.021) 10.085 26.674 ( 0.000 -5.774 1.002) 5.860 26.812 ( 0.000 -7.317 -1.144) 7.405 ======================= Grid point 298 (103/144) ======================= q-point: ( 0.36 -0.64 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 2.556 0.000 1.670) 3.053 1.660 ( -9.311 -0.000 8.561) 12.649 2.264 ( 5.174 0.000 -0.242) 5.180 2.357 ( -1.093 -0.000 0.510) 1.206 2.682 ( -23.441 -0.000 3.941) 23.770 3.065 ( -0.318 -0.000 9.001) 9.007 3.240 ( 9.859 0.000 2.760) 10.238 3.451 ( -0.227 -0.000 -1.635) 1.651 3.589 ( 4.580 0.000 -8.954) 10.057 3.943 ( -6.782 -0.000 -12.848) 14.528 4.300 ( 4.069 0.000 8.498) 9.422 4.959 ( -6.636 -0.000 -13.160) 14.739 5.221 ( -9.309 -0.000 10.802) 14.260 5.315 ( -12.355 -0.000 2.808) 12.670 5.343 ( -17.344 -0.000 -4.519) 17.923 5.938 ( 1.986 0.000 -5.053) 5.429 6.930 ( -8.315 -0.000 11.120) 13.885 7.542 ( 2.919 0.000 -8.024) 8.539 9.473 ( 6.931 0.000 6.762) 9.683 9.814 ( 6.803 0.000 -3.449) 7.627 10.292 ( -3.452 -0.000 -0.499) 3.488 10.398 ( -1.818 -0.000 -4.756) 5.092 11.031 ( -8.893 -0.000 8.905) 12.585 11.192 ( 3.858 0.000 1.940) 4.319 11.483 ( 4.414 0.000 -5.099) 6.744 11.536 ( -3.721 -0.000 -4.823) 6.091 13.616 ( 5.470 0.000 5.370) 7.666 13.899 ( 1.290 0.000 -3.477) 3.708 22.427 ( -11.218 -0.000 0.300) 11.222 22.504 ( -2.914 -0.000 -1.793) 3.422 23.657 ( 2.968 0.000 4.156) 5.107 23.947 ( -6.166 -0.000 -4.162) 7.439 25.770 ( 6.467 0.000 3.588) 7.396 26.200 ( 8.529 0.000 -8.742) 12.214 26.271 ( -3.808 -0.000 5.959) 7.072 26.520 ( 0.324 0.000 -1.307) 1.346 ======================= Grid point 300 (104/144) ======================= q-point: (-0.55 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -10.420 2.554 6.074) 12.329 1.672 ( -0.483 0.910 -3.709) 3.850 2.153 ( -18.552 8.647 12.710) 24.093 2.356 ( -4.670 3.624 0.237) 5.916 2.395 ( 3.433 -2.109 -0.372) 4.046 2.987 ( -6.955 1.033 11.216) 13.238 3.384 ( 4.087 1.665 0.660) 4.462 3.436 ( -0.695 2.812 -4.773) 5.583 3.670 ( 8.946 5.834 -8.866) 13.881 3.895 ( -1.510 -7.461 -10.322) 12.825 4.357 ( 3.541 0.313 9.506) 10.149 4.738 ( -20.380 -2.771 -5.165) 21.207 5.061 ( -10.897 -0.763 4.609) 11.856 5.108 ( -5.239 5.462 1.883) 7.799 5.235 ( -4.591 -5.050 -4.366) 8.102 5.965 ( 0.711 -0.817 -8.594) 8.662 6.844 ( -6.227 -6.875 14.068) 16.851 7.605 ( 2.883 -2.778 -9.553) 10.358 9.581 ( 6.329 0.271 6.274) 8.916 9.912 ( 6.405 1.795 -2.716) 7.184 10.227 ( -4.139 0.762 -0.191) 4.213 10.368 ( -1.802 -0.021 -4.268) 4.633 10.895 ( -7.236 0.517 9.248) 11.754 11.245 ( 3.138 0.581 0.955) 3.331 11.473 ( -3.564 0.586 -5.606) 6.669 11.538 ( 2.518 0.219 -5.586) 6.131 13.691 ( 4.437 1.051 5.259) 6.961 13.937 ( 1.429 -2.828 -2.718) 4.175 22.251 ( -9.883 0.261 2.653) 10.236 22.467 ( -2.172 -0.194 -3.441) 4.074 23.693 ( 1.916 0.698 2.043) 2.886 23.843 ( -5.500 1.156 -2.187) 6.031 25.838 ( 4.603 4.061 3.892) 7.268 26.174 ( 0.155 6.900 1.788) 7.130 26.369 ( 3.916 -6.827 -4.031) 8.843 26.544 ( 0.857 -2.556 -2.390) 3.602 ======================= Grid point 301 (105/144) ======================= q-point: (-0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -18.442 1.490 2.347) 18.650 1.633 ( -1.120 2.564 -10.099) 10.480 1.809 ( -8.135 10.471 19.660) 23.713 2.251 ( -0.417 11.822 -3.541) 12.347 2.460 ( 3.645 1.344 3.061) 4.946 2.848 ( -6.524 4.790 10.578) 13.319 3.305 ( -0.679 7.061 -8.433) 11.020 3.410 ( -4.723 -0.726 -6.386) 7.976 3.770 ( 7.352 0.766 0.949) 7.452 3.994 ( 5.969 -0.469 2.981) 6.689 4.422 ( -3.132 -1.308 11.208) 11.710 4.459 ( -10.775 -5.567 -7.513) 14.266 4.912 ( -7.808 -0.698 -2.096) 8.115 5.036 ( -0.167 1.265 6.607) 6.729 5.213 ( -3.081 -1.253 -8.767) 9.377 5.985 ( -0.051 -2.403 -11.388) 11.639 6.889 ( -2.640 -14.885 14.892) 21.220 7.689 ( 1.920 -5.500 -10.001) 11.574 9.663 ( 3.971 0.252 5.397) 6.705 9.981 ( 5.576 3.379 -1.820) 6.769 10.141 ( -4.752 1.797 0.437) 5.099 10.343 ( -1.235 -0.142 -3.522) 3.735 10.794 ( -3.981 1.109 9.189) 10.075 11.281 ( 2.549 1.141 0.380) 2.819 11.409 ( -3.009 1.255 -6.587) 7.350 11.561 ( 1.040 0.842 -6.521) 6.657 13.737 ( 2.527 0.763 6.484) 7.001 14.000 ( 1.053 -4.770 -2.372) 5.430 22.115 ( -6.020 0.696 4.371) 7.472 22.433 ( -1.529 0.889 -4.690) 5.012 23.700 ( 0.526 2.307 0.569) 2.434 23.760 ( -2.680 1.062 -0.930) 3.029 25.832 ( 2.242 7.342 3.884) 8.604 26.107 ( 0.295 6.393 1.384) 6.547 26.486 ( 2.197 -5.731 -3.809) 7.223 26.597 ( 0.661 -4.714 -2.555) 5.402 ======================= Grid point 302 (106/144) ======================= q-point: (-0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.000 1.273 5.427) 5.574 1.605 ( -0.000 2.200 -12.058) 12.257 1.623 ( -0.000 13.695 12.633) 18.632 2.092 ( -0.000 14.649 -5.231) 15.555 2.477 ( -0.000 4.254 8.289) 9.317 2.691 ( -0.000 10.162 10.822) 14.846 3.245 ( -0.000 7.630 -7.927) 11.002 3.354 ( 0.000 -1.349 -11.168) 11.249 3.825 ( -0.000 1.197 5.516) 5.644 4.068 ( -0.000 1.204 11.199) 11.264 4.290 ( 0.000 -2.956 4.998) 5.807 4.549 ( 0.000 -6.514 -6.744) 9.376 4.834 ( -0.000 1.664 -6.562) 6.770 5.044 ( 0.000 -1.873 13.405) 13.535 5.188 ( 0.000 -0.844 -12.092) 12.121 6.019 ( 0.000 -3.712 -11.542) 12.124 7.063 ( 0.000 -20.537 13.224) 24.426 7.777 ( 0.000 -7.665 -8.774) 11.650 9.695 ( -0.000 0.246 3.949) 3.956 9.989 ( -0.000 7.805 -4.297) 8.910 10.071 ( 0.000 -0.749 4.145) 4.212 10.335 ( 0.000 -0.248 -3.187) 3.197 10.747 ( -0.000 1.599 9.081) 9.221 11.294 ( -0.000 1.500 1.309) 1.991 11.361 ( -0.000 2.001 -8.354) 8.590 11.556 ( -0.000 1.696 -7.610) 7.797 13.757 ( 0.000 -0.667 8.486) 8.512 14.065 ( 0.000 -5.386 -2.273) 5.846 22.053 ( -0.000 1.221 4.885) 5.035 22.403 ( -0.000 1.930 -5.084) 5.438 23.660 ( -0.000 4.646 0.676) 4.695 23.737 ( -0.000 0.576 -1.230) 1.358 25.758 ( -0.000 9.450 3.821) 10.193 26.042 ( -0.000 6.368 -0.616) 6.398 26.561 ( 0.000 -5.039 -2.457) 5.606 26.663 ( 0.000 -6.375 -2.352) 6.795 ======================= Grid point 311 (107/144) ======================= q-point: ( 0.45 -0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -19.488 -0.000 2.557) 19.655 1.660 ( -1.537 -0.000 -11.039) 11.145 1.945 ( -7.922 -0.000 31.159) 32.151 2.413 ( 1.492 0.000 -2.985) 3.338 2.425 ( 3.315 0.000 -3.833) 5.067 2.905 ( -4.303 -0.000 9.990) 10.877 3.370 ( -5.315 -0.000 -4.405) 6.903 3.422 ( -1.152 -0.000 -7.113) 7.206 3.833 ( 3.279 0.000 -2.538) 4.147 3.928 ( 12.004 0.000 -3.885) 12.617 4.394 ( -18.297 -0.000 -2.457) 18.461 4.403 ( 2.019 0.000 11.559) 11.735 4.904 ( -7.239 -0.000 2.650) 7.708 5.073 ( -3.527 -0.000 3.804) 5.188 5.187 ( 0.898 0.000 -10.901) 10.938 5.958 ( -0.617 -0.000 -11.751) 11.768 6.720 ( -3.742 -0.000 16.792) 17.204 7.627 ( 1.707 0.000 -11.652) 11.777 9.666 ( 3.772 0.000 6.549) 7.558 10.011 ( 4.698 0.000 -0.054) 4.698 10.169 ( -3.584 -0.000 -1.796) 4.009 10.342 ( -1.306 -0.000 -3.424) 3.664 10.807 ( -3.888 -0.000 9.177) 9.967 11.294 ( 2.534 0.000 0.716) 2.633 11.423 ( -2.898 -0.000 -6.688) 7.289 11.569 ( 1.110 0.000 -5.697) 5.804 13.754 ( 2.469 0.000 4.355) 5.007 13.938 ( 0.792 0.000 -1.873) 2.034 22.122 ( -5.821 -0.000 4.403) 7.299 22.443 ( -0.905 -0.000 -4.733) 4.818 23.719 ( 0.968 0.000 0.588) 1.133 23.775 ( -3.358 -0.000 -0.888) 3.473 25.915 ( 2.120 0.000 4.085) 4.602 26.209 ( -0.340 -0.000 7.326) 7.334 26.389 ( 2.914 0.000 -8.892) 9.357 26.546 ( 0.847 0.000 -3.185) 3.296 ======================= Grid point 313 (108/144) ======================= q-point: (-0.45 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.000 0.519 4.582) 4.611 1.639 ( -0.000 0.883 -13.739) 13.768 1.854 ( -0.000 7.085 29.064) 29.915 2.369 ( -0.000 8.682 -3.600) 9.399 2.480 ( 0.000 -2.732 -1.330) 3.038 2.846 ( -0.000 3.886 9.643) 10.396 3.321 ( 0.000 -1.170 -6.380) 6.486 3.389 ( -0.000 4.535 -8.650) 9.767 3.853 ( -0.000 2.016 1.265) 2.380 4.083 ( -0.000 0.290 12.557) 12.561 4.218 ( 0.000 -5.025 -11.835) 12.858 4.429 ( 0.000 -1.978 9.365) 9.571 4.844 ( 0.000 -0.139 1.315) 1.322 5.041 ( -0.000 0.565 3.241) 3.290 5.193 ( -0.000 0.511 -11.357) 11.369 5.960 ( 0.000 -1.545 -12.995) 13.087 6.736 ( 0.000 -8.547 17.130) 19.144 7.658 ( 0.000 -3.040 -11.901) 12.283 9.697 ( -0.000 0.040 6.279) 6.279 10.060 ( 0.000 -0.263 4.449) 4.457 10.113 ( -0.000 3.178 -5.645) 6.478 10.331 ( 0.000 -0.110 -2.992) 2.994 10.772 ( -0.000 0.629 9.012) 9.034 11.317 ( -0.000 0.583 1.836) 1.927 11.390 ( -0.000 0.714 -8.393) 8.424 11.575 ( -0.000 0.348 -6.049) 6.059 13.768 ( -0.000 1.039 4.866) 4.975 13.964 ( 0.000 -3.251 -1.810) 3.720 22.072 ( -0.000 0.454 5.048) 5.068 22.432 ( -0.000 0.719 -5.226) 5.275 23.722 ( -0.000 1.157 0.069) 1.159 23.745 ( -0.000 0.353 -0.431) 0.557 25.911 ( -0.000 3.899 4.050) 5.622 26.173 ( -0.000 5.384 5.150) 7.450 26.445 ( 0.000 -5.175 -6.861) 8.594 26.565 ( 0.000 -2.274 -3.119) 3.860 ======================= Grid point 375 (109/144) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 0.000 8.883) 8.883 1.301 ( 0.000 0.000 22.255) 22.255 1.375 ( 0.000 0.000 -6.040) 6.040 1.737 ( 0.000 0.000 -21.552) 21.552 2.046 ( 0.000 0.000 24.766) 24.766 2.114 ( 0.000 0.000 24.994) 24.994 2.511 ( 0.000 0.000 -15.156) 15.156 2.592 ( 0.000 0.000 -29.462) 29.462 4.154 ( 0.000 0.000 5.670) 5.670 4.166 ( 0.000 0.000 12.323) 12.323 4.279 ( 0.000 0.000 -6.769) 6.769 4.416 ( 0.000 0.000 -12.623) 12.623 4.640 ( 0.000 0.000 16.827) 16.827 4.974 ( 0.000 0.000 -16.752) 16.752 5.853 ( 0.000 0.000 16.551) 16.551 6.117 ( 0.000 0.000 -10.062) 10.062 8.527 ( 0.000 0.000 4.965) 4.965 8.626 ( 0.000 0.000 -5.064) 5.064 9.570 ( 0.000 0.000 9.075) 9.075 9.744 ( 0.000 0.000 -8.400) 8.400 10.211 ( 0.000 0.000 3.191) 3.191 10.272 ( 0.000 0.000 -2.853) 2.853 10.813 ( 0.000 0.000 8.730) 8.730 10.994 ( 0.000 0.000 -9.332) 9.332 11.023 ( 0.000 0.000 1.693) 1.693 11.060 ( 0.000 0.000 -1.944) 1.944 14.285 ( 0.000 0.000 2.841) 2.841 14.338 ( 0.000 0.000 -2.392) 2.392 22.044 ( 0.000 0.000 5.106) 5.106 22.148 ( 0.000 0.000 -5.248) 5.248 23.104 ( 0.000 0.000 2.244) 2.244 23.151 ( 0.000 0.000 -2.471) 2.471 25.261 ( 0.000 0.000 2.254) 2.254 25.313 ( 0.000 0.000 -2.870) 2.870 27.079 ( 0.000 0.000 5.487) 5.487 27.181 ( 0.000 0.000 -4.746) 4.746 ======================= Grid point 376 (110/144) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -0.590 11.368 18.876) 22.043 1.395 ( 7.513 -6.571 15.521) 18.453 1.453 ( 7.944 4.460 -7.497) 11.799 1.737 ( 2.628 -0.062 -19.728) 19.903 1.972 ( 4.857 -3.341 16.009) 17.060 2.333 ( -5.900 -1.598 -15.199) 16.382 2.475 ( 21.994 -6.315 18.988) 29.734 2.888 ( 19.552 -3.082 -20.177) 28.264 4.071 ( -6.392 4.459 6.268) 10.001 4.116 ( -6.379 0.749 3.649) 7.387 4.425 ( 17.796 0.505 1.769) 17.891 4.577 ( 16.691 -1.164 -8.427) 18.734 4.669 ( 2.257 -3.107 11.363) 11.995 4.990 ( -0.597 -3.019 -16.985) 17.261 5.821 ( -2.381 2.022 16.157) 16.456 6.085 ( -2.932 1.436 -10.397) 10.898 8.405 ( -10.635 5.022 3.704) 12.330 8.478 ( -11.945 6.518 -3.598) 14.075 9.544 ( -2.798 0.050 9.385) 9.793 9.720 ( -2.417 0.651 -8.355) 8.722 10.235 ( 2.641 0.471 2.190) 3.463 10.283 ( 1.219 0.057 -2.461) 2.747 10.878 ( 7.225 0.543 8.418) 11.107 11.034 ( 1.075 -1.960 -3.035) 3.770 11.048 ( 1.014 -2.111 -1.911) 3.022 11.080 ( 3.520 -3.151 -4.449) 6.489 14.228 ( -7.395 1.765 1.780) 7.809 14.241 ( -8.152 0.815 0.496) 8.207 22.153 ( 12.357 0.110 7.003) 14.204 22.313 ( 18.043 1.270 -9.364) 20.368 23.135 ( 1.195 -4.014 2.692) 4.979 23.198 ( 1.532 -6.808 -3.735) 7.915 25.275 ( 0.384 -1.970 2.310) 3.060 25.329 ( 0.133 -2.786 -3.129) 4.192 27.035 ( -3.591 2.448 4.857) 6.517 27.117 ( -5.282 3.003 -3.218) 6.876 ======================= Grid point 377 (111/144) ======================= q-point: ( 0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 4.843 11.979 18.349) 22.442 1.432 ( 2.950 11.540 -14.876) 19.056 1.553 ( 2.047 -8.948 15.925) 18.381 1.844 ( 3.199 -5.196 -13.316) 14.647 2.270 ( 24.486 -1.242 3.373) 24.748 2.390 ( 11.447 -2.680 -8.521) 14.520 2.921 ( 22.379 -7.363 16.166) 28.573 3.219 ( 16.100 -3.780 -13.685) 21.466 3.874 ( -11.627 4.440 7.033) 14.295 3.959 ( -11.167 1.089 -1.096) 11.274 4.623 ( 0.233 0.550 17.143) 17.154 4.831 ( 20.297 -2.657 3.861) 20.831 4.977 ( 20.575 -0.243 -15.619) 25.833 5.016 ( 7.633 -1.564 -13.700) 15.760 5.742 ( -3.658 3.008 14.449) 15.205 5.995 ( -5.542 2.330 -10.861) 12.414 8.123 ( -14.712 6.966 3.110) 16.573 8.186 ( -13.925 6.086 -3.072) 15.505 9.489 ( -3.807 -0.029 8.942) 9.719 9.656 ( -4.100 1.328 -7.763) 8.879 10.272 ( 2.629 0.650 0.999) 2.886 10.304 ( 1.431 0.040 -2.047) 2.498 10.976 ( 4.810 0.522 5.596) 7.398 11.049 ( -0.430 -1.730 -2.047) 2.715 11.137 ( 5.002 -5.268 1.720) 7.465 11.223 ( 8.842 -1.758 -6.158) 10.918 14.029 ( -11.645 1.745 6.598) 13.498 14.116 ( -8.013 0.094 -2.647) 8.439 22.380 ( 15.536 2.359 8.857) 18.038 22.576 ( 16.353 5.402 -10.737) 20.295 23.229 ( 3.301 -6.768 4.456) 8.750 23.352 ( 5.985 -9.765 -8.308) 14.149 25.316 ( 1.037 -3.367 2.366) 4.244 25.376 ( 0.591 -4.957 -3.858) 6.309 26.923 ( -5.547 3.767 3.941) 7.778 26.977 ( -6.819 3.535 -1.095) 7.759 ======================= Grid point 378 (112/144) ======================= q-point: ( 0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 11.951 5.060 11.630) 17.426 1.388 ( 6.866 9.312 -12.960) 17.373 1.699 ( 5.281 -8.755 11.130) 15.113 1.919 ( 0.291 -5.497 -10.670) 12.007 2.643 ( 19.965 0.024 2.309) 20.098 2.720 ( 22.989 -0.799 -4.930) 23.525 3.310 ( 14.779 -3.777 8.175) 17.307 3.429 ( 3.106 0.178 -3.573) 4.738 3.636 ( -11.156 0.747 8.444) 14.011 3.780 ( -6.694 -0.947 -5.035) 8.429 4.578 ( -2.648 1.442 15.731) 16.017 4.897 ( -4.052 1.685 -15.200) 15.821 5.321 ( 25.481 -0.384 2.130) 25.572 5.399 ( 21.867 -0.409 -5.685) 22.597 5.658 ( -1.926 2.656 9.216) 9.783 5.867 ( -6.932 2.081 -10.490) 12.744 7.829 ( -12.969 5.117 4.777) 14.737 7.925 ( -11.743 3.465 -4.777) 13.143 9.426 ( -3.814 0.073 7.528) 8.439 9.566 ( -4.641 1.920 -6.443) 8.169 10.310 ( 2.819 0.362 0.140) 2.845 10.332 ( 2.019 -0.199 -1.899) 2.779 11.029 ( 0.748 -2.118 2.900) 3.668 11.076 ( 1.044 -2.543 -1.733) 3.250 11.275 ( 6.578 -1.717 3.813) 7.795 11.374 ( 7.932 -0.372 -5.357) 9.579 13.844 ( -9.381 0.638 9.424) 13.313 13.992 ( -7.180 -0.357 -5.747) 9.204 22.565 ( 11.180 3.833 7.340) 13.913 22.712 ( 8.258 5.021 -7.197) 12.050 23.374 ( 5.101 -6.727 7.025) 10.982 23.556 ( 7.693 -5.815 -11.394) 14.927 25.373 ( 1.250 -3.478 2.764) 4.615 25.450 ( 1.334 -5.512 -5.259) 7.734 26.795 ( -5.120 3.259 3.826) 7.175 26.842 ( -5.555 2.487 -0.689) 6.125 ======================= Grid point 379 (113/144) ======================= q-point: ( 0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 10.488 -1.202 6.907) 12.616 1.455 ( 9.147 4.112 -6.891) 12.168 1.925 ( 11.808 -7.214 4.330) 14.499 2.005 ( 4.252 -5.236 -4.192) 7.942 2.902 ( 9.484 0.275 2.928) 9.929 3.010 ( 8.753 3.886 -6.743) 11.712 3.224 ( -9.361 2.082 6.781) 11.745 3.335 ( -9.596 2.414 -4.180) 10.742 3.696 ( 10.332 -1.750 8.755) 13.655 3.821 ( 4.208 -1.707 -3.309) 5.619 4.542 ( -0.710 -0.463 11.962) 11.992 4.810 ( -2.942 1.959 -14.313) 14.743 5.543 ( -0.001 1.292 8.978) 9.071 5.669 ( 9.441 0.803 4.070) 10.312 5.698 ( 6.379 2.428 -6.832) 9.657 5.812 ( 9.133 -0.863 -8.471) 12.486 7.609 ( -8.990 2.508 6.723) 11.503 7.740 ( -7.985 1.232 -6.351) 10.276 9.371 ( -2.827 0.012 5.644) 6.313 9.475 ( -3.792 2.002 -4.719) 6.376 10.351 ( 2.351 0.032 -0.047) 2.352 10.372 ( 2.412 -0.267 -2.100) 3.209 11.053 ( -0.324 -2.182 3.370) 4.028 11.126 ( 1.197 -2.738 -3.770) 4.811 11.373 ( 4.563 0.326 5.440) 7.108 11.479 ( 5.049 0.342 -4.899) 7.044 13.716 ( -5.944 0.064 10.643) 12.190 13.899 ( -4.788 -0.472 -7.808) 9.171 22.663 ( 5.864 2.949 4.931) 8.209 22.760 ( 3.498 2.879 -4.702) 6.529 23.515 ( 4.412 -4.319 8.137) 10.214 23.702 ( 5.146 -1.914 -10.442) 11.797 25.423 ( 0.855 -2.455 3.609) 4.448 25.525 ( 1.379 -3.910 -6.972) 8.112 26.700 ( -3.140 1.778 3.890) 5.306 26.750 ( -3.367 1.174 -0.873) 3.671 ======================= Grid point 380 (114/144) ======================= q-point: ( 0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 3.587 -1.517 5.016) 6.350 1.544 ( 3.902 0.796 -3.948) 5.607 2.117 ( 5.666 -2.275 8.241) 10.256 2.252 ( 14.240 -6.182 -4.267) 16.100 2.764 ( -14.946 5.504 6.204) 17.093 2.897 ( -6.835 2.197 -7.466) 10.358 3.249 ( 3.077 -0.118 0.643) 3.146 3.307 ( 4.039 -0.418 -4.392) 5.981 3.814 ( 4.800 2.468 5.085) 7.415 3.866 ( -0.363 -1.225 -0.222) 1.297 4.554 ( 0.361 -0.957 9.856) 9.909 4.778 ( -0.238 0.052 -12.276) 12.279 5.534 ( 0.889 0.543 3.613) 3.761 5.599 ( -3.880 0.828 -2.651) 4.772 5.855 ( 5.410 0.293 4.524) 7.058 5.974 ( 5.993 0.047 -6.941) 9.171 7.492 ( -3.289 0.649 7.971) 8.647 7.644 ( -2.896 0.172 -7.272) 7.830 9.340 ( -1.015 -0.121 4.035) 4.162 9.413 ( -1.530 0.995 -3.233) 3.712 10.379 ( 0.968 -0.045 0.151) 0.981 10.405 ( 1.106 -0.108 -2.348) 2.598 11.066 ( -0.173 -0.883 4.154) 4.250 11.162 ( 0.414 -1.215 -5.550) 5.697 11.418 ( 1.591 0.415 6.520) 6.724 11.530 ( 1.679 0.241 -4.722) 5.017 13.652 ( -2.040 -0.035 11.119) 11.304 13.850 ( -1.669 -0.206 -8.832) 8.990 22.701 ( 1.776 1.050 3.588) 4.139 22.774 ( 0.949 0.913 -3.623) 3.855 23.597 ( 1.676 -1.444 7.995) 8.296 23.768 ( 1.708 -0.310 -8.912) 9.079 25.450 ( 0.281 -0.853 4.233) 4.327 25.570 ( 0.547 -1.332 -8.070) 8.197 26.655 ( -1.013 0.512 3.994) 4.153 26.708 ( -1.067 0.265 -1.022) 1.501 ======================= Grid point 387 (115/144) ======================= q-point: ( 0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 2.371 0.000 20.312) 20.450 1.356 ( 2.939 0.000 16.428) 16.689 1.617 ( 5.011 0.000 -9.064) 10.357 1.741 ( 0.482 0.000 -20.480) 20.485 2.255 ( 26.934 0.000 2.328) 27.035 2.368 ( 12.792 0.000 -9.319) 15.826 2.828 ( 23.460 0.000 19.462) 30.482 3.172 ( 17.093 0.000 -15.385) 22.997 3.935 ( -13.241 -0.000 4.750) 14.067 3.972 ( -11.792 -0.000 1.174) 11.850 4.631 ( -0.152 -0.000 17.258) 17.258 4.789 ( 21.165 0.000 3.014) 21.378 4.971 ( 26.192 0.000 -12.842) 29.171 4.994 ( 6.342 0.000 -16.360) 17.546 5.776 ( -4.300 -0.000 14.185) 14.822 6.021 ( -5.936 -0.000 -10.347) 11.929 8.203 ( -16.511 -0.000 2.463) 16.694 8.257 ( -17.806 -0.000 -2.952) 18.049 9.492 ( -3.392 -0.000 9.811) 10.381 9.673 ( -3.746 -0.000 -8.315) 9.120 10.279 ( 2.323 0.000 0.595) 2.398 10.304 ( 1.228 0.000 -1.644) 2.052 10.997 ( -0.993 -0.000 1.598) 1.881 11.027 ( 1.077 0.000 -0.108) 1.082 11.063 ( 10.217 0.000 5.608) 11.655 11.204 ( 10.537 0.000 -7.227) 12.777 14.048 ( -13.175 -0.000 5.481) 14.269 14.114 ( -8.630 -0.000 -1.728) 8.801 22.412 ( 17.459 0.000 10.454) 20.349 22.651 ( 17.443 0.000 -13.381) 21.984 23.184 ( 8.867 0.000 -2.548) 9.226 23.187 ( 2.934 0.000 -1.726) 3.404 25.280 ( 1.696 0.000 1.729) 2.422 25.321 ( 0.878 0.000 -2.404) 2.559 26.966 ( -6.238 -0.000 3.837) 7.324 27.017 ( -8.396 -0.000 -0.840) 8.438 ======================= Grid point 388 (116/144) ======================= q-point: ( 0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 7.440 9.249 15.446) 19.481 1.522 ( 7.676 -7.557 12.491) 16.494 1.610 ( 4.479 9.223 -12.914) 16.489 1.797 ( 0.823 -5.772 -15.077) 16.165 2.661 ( 21.256 1.144 1.513) 21.341 2.716 ( 27.575 0.105 -3.417) 27.786 3.207 ( 20.231 -3.925 12.882) 24.303 3.414 ( 9.924 -1.056 -7.766) 12.646 3.671 ( -17.221 1.564 6.014) 18.308 3.762 ( -12.202 -0.577 -3.202) 12.628 4.611 ( -1.854 1.241 16.103) 16.257 4.900 ( -1.555 -0.705 -12.089) 12.209 5.323 ( 25.417 0.380 -0.494) 25.424 5.385 ( 23.262 -0.629 -7.052) 24.315 5.701 ( -3.244 1.103 9.178) 9.797 5.900 ( -8.150 0.850 -9.920) 12.867 7.911 ( -16.913 2.395 2.239) 17.228 7.966 ( -16.599 0.569 -3.177) 16.910 9.439 ( -2.748 0.598 9.059) 9.486 9.605 ( -3.811 1.167 -7.461) 8.459 10.315 ( 2.318 0.129 -0.434) 2.362 10.326 ( 1.449 -0.275 -1.262) 1.941 10.993 ( -0.047 -1.009 1.906) 2.157 11.032 ( 0.455 -1.247 -1.996) 2.397 11.252 ( 10.311 -0.459 6.107) 11.993 11.372 ( 9.440 0.034 -5.684) 11.019 13.849 ( -10.754 0.010 8.516) 13.718 13.978 ( -8.128 -0.581 -4.761) 9.438 22.643 ( 11.598 2.707 8.754) 14.780 22.794 ( 3.835 2.007 -5.744) 7.192 23.276 ( 7.693 -1.895 3.599) 8.702 23.439 ( 15.223 -4.118 -13.687) 20.881 25.328 ( 3.453 -0.719 1.021) 3.672 25.361 ( 2.594 -2.539 -2.316) 4.306 26.847 ( -7.077 1.429 3.071) 7.846 26.875 ( -8.032 0.608 0.658) 8.081 ======================= Grid point 389 (117/144) ======================= q-point: ( 0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 9.165 5.416 11.519) 15.685 1.613 ( 7.547 8.787 -11.173) 16.094 1.774 ( 14.572 -6.154 4.784) 16.526 1.894 ( 4.725 -5.073 -7.369) 10.117 2.941 ( 13.828 3.145 6.492) 15.597 3.086 ( 18.579 3.348 -6.974) 20.125 3.288 ( -16.540 3.433 6.098) 17.959 3.382 ( -10.975 1.631 -3.128) 11.528 3.600 ( 13.344 -6.036 10.005) 17.737 3.764 ( 6.262 -4.244 -6.212) 9.788 4.551 ( -3.063 1.454 14.853) 15.235 4.847 ( -4.022 1.169 -14.515) 15.107 5.561 ( 0.791 0.446 10.039) 10.080 5.686 ( 13.052 0.677 2.182) 13.251 5.745 ( -0.304 1.738 -7.938) 8.132 5.795 ( 9.874 -0.745 -8.196) 12.854 7.641 ( -13.588 0.954 4.025) 14.204 7.731 ( -12.722 -1.490 -4.938) 13.728 9.392 ( -1.526 1.490 7.699) 7.989 9.531 ( -2.717 2.541 -6.049) 7.101 10.348 ( 1.653 -0.239 -0.395) 1.716 10.361 ( 2.019 -0.663 -1.769) 2.766 11.014 ( 1.011 -1.384 2.637) 3.145 11.072 ( 2.111 -2.093 -3.166) 4.343 11.384 ( 5.946 0.603 5.920) 8.413 11.492 ( 5.730 0.673 -4.782) 7.494 13.710 ( -6.705 -0.463 9.817) 11.898 13.876 ( -5.633 -1.334 -6.943) 9.040 22.727 ( 3.408 2.863 4.440) 6.287 22.800 ( -0.399 0.682 -2.800) 2.909 23.443 ( 8.797 -2.247 8.674) 12.557 23.677 ( 10.356 -0.559 -14.624) 17.928 25.394 ( 3.865 -0.324 1.992) 4.360 25.455 ( 4.955 -2.663 -4.440) 7.167 26.726 ( -5.895 0.786 3.226) 6.766 26.758 ( -6.107 -0.275 0.343) 6.122 ======================= Grid point 390 (118/144) ======================= q-point: ( 0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 7.632 3.040 8.098) 11.535 1.642 ( 5.691 6.748 -8.243) 12.078 2.055 ( 9.097 -3.087 3.609) 10.262 2.115 ( 17.968 -5.938 -2.265) 19.059 2.890 ( -16.017 5.948 5.421) 17.925 2.956 ( -10.400 3.399 -0.927) 10.980 3.274 ( 4.788 2.420 -0.615) 5.400 3.316 ( 5.960 1.640 -4.039) 7.384 3.827 ( 5.326 -2.831 3.522) 6.984 3.865 ( 3.004 0.582 -0.293) 3.073 4.513 ( -1.352 -1.939 12.583) 12.803 4.778 ( -2.418 0.278 -13.829) 14.042 5.548 ( 0.201 0.703 3.809) 3.879 5.616 ( -5.730 0.684 -2.658) 6.354 5.860 ( 4.746 0.204 3.810) 6.089 5.974 ( 6.063 -0.009 -7.070) 9.313 7.471 ( -7.719 -1.923 6.193) 10.081 7.598 ( -6.999 -3.776 -6.517) 10.281 9.362 ( 0.306 1.989 6.067) 6.392 9.470 ( -0.583 3.513 -4.598) 5.816 10.371 ( 0.542 -0.595 -0.016) 0.805 10.393 ( 0.731 -0.848 -2.246) 2.509 11.051 ( 2.133 -0.528 3.665) 4.273 11.135 ( 3.021 -1.293 -4.758) 5.783 11.432 ( 1.244 0.880 6.343) 6.524 11.542 ( 1.576 0.789 -4.603) 4.929 13.643 ( -2.463 -0.669 10.350) 10.660 13.827 ( -2.406 -1.697 -8.190) 8.703 22.720 ( -1.385 0.675 3.001) 3.373 22.778 ( -2.113 -0.427 -2.771) 3.511 23.578 ( 5.833 -0.327 9.304) 10.986 23.788 ( 4.737 1.834 -11.512) 12.582 25.454 ( 3.910 1.077 3.589) 5.416 25.556 ( 5.144 -0.170 -6.894) 8.604 26.648 ( -3.831 -0.946 3.510) 5.281 26.689 ( -3.671 -1.715 -0.332) 4.066 ======================= Grid point 391 (119/144) ======================= q-point: ( 0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 3.275 4.884 5.149) 7.816 1.628 ( 0.795 7.153 -4.451) 8.462 2.148 ( -1.374 1.067 10.958) 11.096 2.348 ( -3.334 2.116 -7.944) 8.872 2.681 ( 5.940 -1.451 9.218) 11.062 2.859 ( 2.805 -1.125 -8.937) 9.434 3.282 ( -1.067 3.107 0.249) 3.294 3.329 ( -2.598 1.960 -3.847) 5.039 3.790 ( -6.559 -0.032 7.307) 9.819 3.901 ( 0.899 1.805 -3.718) 4.230 4.534 ( -0.179 -2.664 10.684) 11.013 4.766 ( -0.448 -1.056 -12.394) 12.447 5.528 ( -2.414 0.042 2.807) 3.703 5.584 ( 1.845 -0.600 -2.497) 3.162 5.848 ( -6.033 -0.328 5.358) 8.076 5.972 ( -5.974 -0.158 -6.734) 9.004 7.435 ( -1.184 -4.317 7.727) 8.930 7.583 ( -1.044 -5.094 -7.157) 8.847 9.364 ( 2.594 2.024 4.491) 5.568 9.444 ( 2.257 3.477 -3.483) 5.414 10.373 ( -1.252 -0.596 0.125) 1.392 10.397 ( -1.300 -0.723 -2.328) 2.763 11.087 ( 2.499 1.029 4.179) 4.977 11.185 ( 2.445 0.821 -5.678) 6.236 11.416 ( -2.227 0.191 6.821) 7.178 11.532 ( -1.841 0.382 -4.875) 5.225 13.643 ( 1.484 -0.752 10.532) 10.663 13.833 ( 0.823 -1.688 -8.546) 8.750 22.677 ( -4.206 -1.146 3.075) 5.335 22.741 ( -3.953 -1.900 -3.363) 5.527 23.634 ( 2.257 1.889 8.099) 8.617 23.804 ( 0.686 2.795 -8.710) 9.174 25.492 ( 3.440 2.989 4.515) 6.415 25.616 ( 3.990 2.856 -8.103) 9.472 26.623 ( -1.668 -2.461 3.863) 4.874 26.674 ( -1.368 -2.790 -1.033) 3.275 ======================= Grid point 392 (120/144) ======================= q-point: (-0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -4.196 9.470 2.555) 10.669 1.488 ( -7.589 7.730 -1.103) 10.889 2.044 ( -6.426 3.566 5.568) 9.220 2.129 ( -7.901 6.529 -3.267) 10.758 2.917 ( -5.186 -1.918 -2.020) 5.886 2.922 ( 5.419 -0.777 -1.767) 5.753 3.211 ( 0.394 1.101 2.950) 3.173 3.292 ( 5.805 -1.247 -4.109) 7.221 3.682 ( -7.784 -1.865 11.320) 13.864 3.863 ( -3.089 1.888 -6.484) 7.426 4.544 ( -0.779 -0.831 9.962) 10.027 4.773 ( 0.265 -1.398 -12.688) 12.767 5.507 ( -2.015 -1.970 6.481) 7.067 5.624 ( -1.796 -3.129 -4.901) 6.085 5.676 ( -15.317 0.189 5.480) 16.269 5.829 ( -8.121 0.692 -7.896) 11.348 7.515 ( 3.777 -6.331 7.978) 10.862 7.662 ( 3.231 -5.939 -6.785) 9.578 9.399 ( 4.488 2.371 3.928) 6.418 9.472 ( 4.854 2.104 -3.350) 6.262 10.345 ( -2.760 -0.477 0.188) 2.807 10.370 ( -2.529 -0.375 -2.316) 3.450 11.103 ( 1.604 2.400 3.852) 4.814 11.184 ( -0.418 2.569 -3.782) 4.591 11.370 ( -2.970 -0.003 5.069) 5.875 11.478 ( -4.306 0.213 -5.150) 6.716 13.704 ( 4.809 -1.040 10.423) 11.526 13.887 ( 3.623 -1.583 -8.030) 8.951 22.606 ( -6.968 -2.260 3.965) 8.330 22.689 ( -6.191 -3.411 -4.308) 8.278 23.613 ( -0.508 4.446 6.977) 8.289 23.759 ( -2.047 3.305 -7.460) 8.412 25.500 ( 2.603 4.699 4.639) 7.098 25.624 ( 2.604 5.342 -8.050) 10.006 26.645 ( 0.441 -3.474 3.973) 5.296 26.701 ( 0.657 -3.425 -1.493) 3.793 ======================= Grid point 393 (121/144) ======================= q-point: (-0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -11.264 10.559 4.054) 15.963 1.300 ( -7.661 2.326 -6.430) 10.269 1.883 ( -4.193 7.770 7.929) 11.867 2.023 ( -1.238 4.164 -6.624) 7.922 2.662 ( -19.695 1.715 3.194) 20.026 2.771 ( -15.338 4.559 -7.240) 17.563 3.335 ( -0.293 -0.766 5.391) 5.453 3.414 ( 0.369 -0.889 -1.860) 2.094 3.635 ( 5.002 -0.831 9.815) 11.047 3.799 ( 1.274 1.051 -5.227) 5.482 4.550 ( 0.933 -1.313 12.020) 12.127 4.829 ( 3.121 -4.021 -15.108) 15.943 5.336 ( -24.515 0.645 2.710) 24.673 5.394 ( -18.031 -0.983 -2.847) 18.280 5.598 ( -0.425 -2.644 9.549) 9.917 5.821 ( 4.149 -1.924 -11.086) 11.992 7.685 ( 7.237 -8.565 6.805) 13.117 7.810 ( 6.149 -7.330 -5.656) 11.115 9.453 ( 5.430 2.662 4.886) 7.775 9.547 ( 5.833 0.610 -4.461) 7.369 10.300 ( -3.337 -0.550 0.660) 3.445 10.332 ( -2.393 -0.187 -2.478) 3.450 11.077 ( -2.368 2.356 4.349) 5.484 11.132 ( -1.314 2.648 -0.996) 3.120 11.319 ( -2.102 2.160 0.823) 3.124 11.389 ( -5.878 1.015 -4.959) 7.757 13.818 ( 7.311 -1.799 9.872) 12.416 13.980 ( 5.634 -1.612 -6.644) 8.859 22.495 ( -10.126 -2.557 5.423) 11.768 22.608 ( -9.338 -4.326 -5.772) 11.799 23.530 ( -1.853 7.128 6.363) 9.733 23.670 ( -3.546 4.748 -7.616) 9.650 25.476 ( 1.501 6.020 4.286) 7.541 25.589 ( 1.454 7.267 -7.299) 10.402 26.711 ( 2.405 -4.562 3.942) 6.492 26.769 ( 2.582 -4.341 -1.675) 5.321 ======================= Grid point 394 (122/144) ======================= q-point: (-0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -6.437 2.598 12.375) 14.189 1.234 ( -1.730 -4.735 -14.318) 15.180 1.734 ( -5.844 7.384 11.136) 14.584 1.929 ( -7.434 2.761 -8.486) 11.615 2.320 ( -17.116 4.051 7.181) 18.998 2.500 ( -6.678 7.552 -9.798) 14.058 3.084 ( -18.909 6.898 11.523) 23.193 3.303 ( -12.817 3.498 -10.374) 16.857 3.796 ( 10.138 -2.252 9.351) 13.975 3.935 ( 10.713 -1.171 -3.494) 11.329 4.595 ( 0.102 -2.255 14.886) 15.056 4.870 ( -14.565 -0.186 -0.568) 14.577 4.962 ( -13.029 -1.175 -12.384) 18.014 5.053 ( -15.002 2.050 -9.301) 17.770 5.658 ( 1.868 -4.625 14.887) 15.701 5.927 ( 4.267 -3.860 -11.906) 13.223 7.926 ( 9.355 -11.177 4.827) 15.354 8.015 ( 7.882 -9.599 -3.954) 13.035 9.511 ( 4.927 2.395 6.364) 8.397 9.634 ( 4.961 -0.211 -5.919) 7.726 10.255 ( -3.067 -0.836 1.691) 3.600 10.301 ( -1.731 -0.252 -2.802) 3.303 10.984 ( -5.946 1.113 7.418) 9.572 11.095 ( -0.414 2.446 -3.267) 4.102 11.252 ( -1.409 5.063 -1.922) 5.595 11.273 ( -5.777 2.656 -3.949) 7.485 13.975 ( 8.605 -3.222 8.363) 12.425 14.097 ( 6.344 -1.854 -4.368) 7.923 22.335 ( -12.293 -1.578 6.531) 14.009 22.473 ( -12.867 -3.744 -7.233) 15.228 23.412 ( -1.665 9.106 5.661) 10.851 23.545 ( -3.524 7.706 -7.771) 11.497 25.423 ( 0.509 6.559 3.798) 7.596 25.521 ( 0.708 8.230 -6.331) 10.407 26.817 ( 3.609 -5.846 3.945) 7.923 26.876 ( 3.896 -5.663 -1.747) 7.092 ======================= Grid point 395 (123/144) ======================= q-point: (-0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 5.966 -6.478 19.441) 21.342 1.313 ( 1.700 -6.376 -12.506) 14.140 1.487 ( -17.585 2.138 10.524) 20.605 1.733 ( -12.509 -0.388 -14.687) 19.295 2.115 ( 2.833 9.690 17.226) 19.967 2.437 ( 6.501 7.861 -9.118) 13.682 2.669 ( -18.384 10.342 11.161) 23.865 2.996 ( -17.642 6.184 -17.305) 25.475 3.963 ( 5.884 -4.088 9.897) 12.219 4.095 ( 7.630 -0.659 -0.909) 7.712 4.425 ( -17.237 0.602 4.019) 17.709 4.617 ( -19.148 2.336 -12.766) 23.131 4.732 ( 0.974 1.648 14.355) 14.482 5.053 ( 2.615 1.155 -16.923) 17.162 5.741 ( 1.575 -5.214 16.939) 17.793 6.026 ( 2.496 -3.993 -11.669) 12.583 8.207 ( 8.195 -12.977 2.898) 15.619 8.257 ( 6.884 -12.348 -1.993) 14.277 9.555 ( 2.973 1.559 7.595) 8.304 9.703 ( 2.751 -0.624 -7.158) 7.694 10.219 ( -2.426 -0.897 2.871) 3.864 10.281 ( -1.149 -0.221 -3.135) 3.347 10.882 ( -4.864 0.981 9.119) 10.382 11.056 ( -1.858 1.715 -7.685) 8.091 11.160 ( -2.229 4.793 -1.207) 5.422 11.176 ( -0.719 6.085 -2.589) 6.652 14.150 ( 6.979 -4.900 5.191) 9.983 14.213 ( 4.903 -2.137 -1.513) 5.558 22.154 ( -9.863 0.329 6.147) 11.626 22.285 ( -12.308 -0.817 -6.986) 14.176 23.291 ( -0.752 9.435 4.575) 10.513 23.402 ( -1.961 10.232 -6.675) 12.373 25.359 ( 0.034 5.846 3.331) 6.728 25.443 ( 0.263 7.587 -5.285) 9.250 26.938 ( 2.829 -6.205 4.223) 8.021 27.006 ( 3.502 -6.771 -2.384) 7.988 ======================= Grid point 396 (124/144) ======================= q-point: (-0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 -6.664 23.154) 24.094 1.211 ( 0.000 -1.833 9.220) 9.400 1.362 ( 0.000 -0.860 -6.533) 6.589 1.665 ( 0.000 -5.789 -22.724) 23.450 2.162 ( -0.000 9.844 22.615) 24.665 2.215 ( -0.000 8.562 23.716) 25.214 2.595 ( -0.000 7.014 -14.633) 16.227 2.665 ( -0.000 6.352 -27.487) 28.211 4.064 ( 0.000 -5.519 9.773) 11.223 4.177 ( -0.000 1.006 12.354) 12.395 4.257 ( 0.000 -1.342 -9.858) 9.949 4.427 ( -0.000 1.117 -12.708) 12.757 4.711 ( -0.000 4.255 15.813) 16.376 5.042 ( -0.000 4.233 -17.067) 17.584 5.807 ( 0.000 -4.129 17.106) 17.597 6.085 ( 0.000 -2.964 -10.850) 11.247 8.409 ( 0.000 -10.292 3.201) 10.779 8.466 ( 0.000 -13.114 -2.439) 13.338 9.570 ( -0.000 0.402 8.401) 8.411 9.733 ( 0.000 -0.813 -7.929) 7.971 10.204 ( 0.000 -0.568 3.458) 3.504 10.271 ( 0.000 -0.064 -3.212) 3.213 10.825 ( -0.000 1.149 9.168) 9.239 11.014 ( -0.000 1.703 -9.566) 9.717 11.096 ( -0.000 5.033 -0.262) 5.040 11.109 ( -0.000 4.813 -1.457) 5.028 14.260 ( 0.000 -3.217 2.417) 4.024 14.289 ( 0.000 -3.398 -0.288) 3.411 22.056 ( -0.000 1.052 5.207) 5.312 22.162 ( -0.000 1.232 -5.344) 5.484 23.192 ( -0.000 7.706 3.557) 8.488 23.276 ( -0.000 9.837 -5.000) 11.035 25.305 ( -0.000 4.079 2.819) 4.959 25.373 ( -0.000 5.537 -4.156) 6.923 27.024 ( 0.000 -4.896 4.876) 6.910 27.110 ( 0.000 -6.091 -3.634) 7.093 ======================= Grid point 399 (125/144) ======================= q-point: ( 0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 4.665 0.000 14.309) 15.050 1.695 ( 17.413 0.000 3.701) 17.802 1.765 ( 1.226 0.000 -16.159) 16.206 1.791 ( 10.226 0.000 -4.715) 11.260 2.992 ( 16.467 0.000 7.331) 18.025 3.130 ( 21.927 0.000 -4.580) 22.401 3.340 ( -17.689 -0.000 2.878) 17.921 3.397 ( -11.455 -0.000 -2.005) 11.629 3.515 ( 14.153 0.000 10.697) 17.741 3.693 ( 5.572 0.000 -6.940) 8.900 4.576 ( -3.736 -0.000 14.603) 15.073 4.857 ( -3.477 -0.000 -13.436) 13.878 5.566 ( 1.307 0.000 9.924) 10.010 5.694 ( 13.289 0.000 1.312) 13.354 5.767 ( -6.810 -0.000 -9.460) 11.656 5.783 ( 14.963 0.000 -6.553) 16.335 7.655 ( -15.615 -0.000 1.742) 15.712 7.706 ( -14.730 -0.000 -3.249) 15.084 9.412 ( -1.075 -0.000 8.373) 8.442 9.561 ( -2.330 -0.000 -6.439) 6.847 10.345 ( 1.181 0.000 -0.593) 1.321 10.352 ( 1.994 0.000 -1.550) 2.526 10.999 ( 1.663 0.000 2.209) 2.765 11.047 ( 2.542 0.000 -2.702) 3.710 11.392 ( 6.443 0.000 6.125) 8.890 11.500 ( 5.988 0.000 -4.740) 7.637 13.704 ( -6.908 -0.000 9.232) 11.531 13.859 ( -5.928 -0.000 -6.418) 8.737 22.770 ( 2.456 0.000 2.841) 3.755 22.796 ( -2.723 -0.000 -0.128) 2.726 23.419 ( 10.552 0.000 8.466) 13.529 23.672 ( 13.226 0.000 -16.738) 21.332 25.401 ( 4.449 0.000 -0.008) 4.449 25.417 ( 7.168 0.000 -1.820) 7.395 26.737 ( -7.236 -0.000 2.397) 7.623 26.750 ( -7.233 -0.000 1.429) 7.373 ======================= Grid point 400 (126/144) ======================= q-point: ( 0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 5.910 1.427 10.648) 12.261 1.763 ( 2.357 3.361 -12.604) 13.256 2.004 ( 13.295 -1.385 1.160) 13.417 2.024 ( 20.489 -2.178 -1.150) 20.636 2.997 ( -18.817 3.072 6.165) 20.038 3.026 ( -11.401 2.413 3.046) 12.045 3.333 ( 6.741 2.248 -0.233) 7.110 3.383 ( 10.822 3.593 -5.052) 12.472 3.751 ( 8.910 -2.559 3.890) 10.053 3.809 ( 4.386 -4.718 -1.965) 6.735 4.498 ( -4.575 0.295 14.328) 15.044 4.789 ( -4.165 0.421 -14.570) 15.159 5.560 ( 0.168 0.295 3.761) 3.776 5.627 ( -6.743 0.258 -2.562) 7.218 5.863 ( 4.261 0.067 3.404) 5.454 5.974 ( 6.105 -0.006 -7.148) 9.400 7.438 ( -10.828 -0.736 3.388) 11.370 7.520 ( -9.495 -2.595 -4.759) 10.933 9.403 ( 0.812 1.246 7.462) 7.609 9.532 ( -0.075 1.723 -5.361) 5.631 10.360 ( 0.324 -0.356 -0.208) 0.524 10.377 ( 0.665 -0.486 -2.115) 2.270 11.043 ( 3.531 -0.181 3.024) 4.652 11.112 ( 4.629 -0.670 -3.853) 6.059 11.449 ( 1.039 0.512 6.331) 6.436 11.557 ( 1.450 0.491 -4.540) 4.791 13.630 ( -2.534 -0.360 9.135) 9.487 13.793 ( -2.797 -1.055 -7.257) 7.849 22.732 ( -4.097 0.395 1.750) 4.472 22.764 ( -3.148 -0.591 -1.374) 3.485 23.577 ( 8.197 0.096 10.554) 13.364 23.825 ( 6.459 1.138 -14.050) 15.505 25.483 ( 6.303 1.141 2.334) 6.817 25.554 ( 8.792 -0.143 -4.932) 10.082 26.628 ( -6.193 -0.629 2.785) 6.819 26.653 ( -5.493 -1.190 0.572) 5.650 ======================= Grid point 401 (127/144) ======================= q-point: ( 0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 5.497 2.034 7.315) 9.373 1.761 ( 1.763 4.032 -7.985) 9.118 2.184 ( 6.191 2.192 8.704) 10.904 2.350 ( 12.417 -0.977 -7.674) 14.630 2.704 ( -7.898 2.549 9.991) 12.988 2.859 ( -2.313 1.020 -5.652) 6.191 3.377 ( 1.972 5.183 -0.104) 5.546 3.406 ( -1.449 5.250 -2.967) 6.202 3.780 ( -6.255 -1.356 6.846) 9.372 3.906 ( 0.629 -2.156 -5.600) 6.034 4.466 ( -0.585 -2.780 13.411) 13.709 4.742 ( -1.451 -0.867 -14.203) 14.303 5.533 ( -4.005 0.320 1.883) 4.437 5.575 ( 0.596 -0.231 -2.146) 2.239 5.842 ( -6.585 -0.276 6.025) 8.930 5.968 ( -6.166 -0.197 -6.521) 8.977 7.338 ( -4.689 -3.841 5.930) 8.479 7.461 ( -3.401 -5.340 -6.325) 8.949 9.415 ( 3.115 2.235 6.378) 7.441 9.525 ( 2.685 3.292 -4.628) 6.282 10.359 ( -1.116 -0.552 -0.004) 1.245 10.381 ( -1.011 -0.677 -2.289) 2.592 11.106 ( 4.155 0.628 3.856) 5.703 11.195 ( 4.720 0.158 -5.138) 6.979 11.424 ( -3.038 0.467 7.043) 7.684 11.543 ( -2.162 0.584 -5.021) 5.498 13.626 ( 1.202 -0.659 8.907) 9.012 13.790 ( 0.205 -1.985 -7.477) 7.738 22.657 ( -5.350 -0.655 2.016) 5.755 22.702 ( -5.580 -1.509 -2.532) 6.311 23.670 ( 4.303 1.317 9.263) 10.298 23.867 ( 1.561 2.521 -10.233) 10.654 25.566 ( 6.647 3.392 4.344) 8.635 25.681 ( 8.155 2.753 -7.264) 11.263 26.561 ( -4.254 -2.858 3.452) 6.179 26.604 ( -3.376 -3.142 -0.672) 4.660 ======================= Grid point 402 (128/144) ======================= q-point: (-0.55 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -0.241 6.121 5.096) 7.968 1.704 ( -2.171 8.002 -3.404) 8.963 2.128 ( -4.017 5.691 7.961) 10.579 2.270 ( -8.121 6.477 -5.126) 11.584 2.844 ( 10.896 -2.643 4.347) 12.025 2.945 ( 7.848 0.616 -4.643) 9.139 3.278 ( -4.508 4.732 -1.312) 6.666 3.299 ( -1.839 2.420 -2.717) 4.077 3.649 ( -9.608 -1.051 12.389) 15.713 3.883 ( -4.134 -0.528 -10.788) 11.565 4.504 ( 0.336 -2.550 11.542) 11.825 4.745 ( -0.449 -1.332 -12.684) 12.761 5.469 ( -5.334 -1.392 4.353) 7.024 5.560 ( -6.360 -2.621 -5.007) 8.508 5.683 ( -11.954 0.207 7.959) 14.363 5.839 ( -7.012 0.213 -7.153) 10.019 7.358 ( -0.788 -7.480 8.030) 11.002 7.509 ( 0.365 -7.505 -7.126) 10.355 9.457 ( 5.360 2.763 5.163) 7.938 9.549 ( 5.283 4.198 -4.093) 7.892 10.335 ( -2.514 -0.404 0.241) 2.558 10.360 ( -2.143 -0.463 -2.414) 3.261 11.151 ( 2.792 1.947 3.951) 5.215 11.232 ( 0.071 1.785 -3.269) 3.725 11.371 ( -1.962 0.016 5.065) 5.432 11.486 ( -4.012 0.421 -5.513) 6.831 13.678 ( 3.887 -1.177 8.837) 9.725 13.838 ( 2.581 -2.683 -7.246) 8.146 22.569 ( -6.893 -1.163 2.351) 7.375 22.623 ( -7.010 -2.664 -2.984) 8.071 23.692 ( 1.357 2.806 6.981) 7.645 23.834 ( -1.371 3.334 -7.090) 7.954 25.618 ( 5.783 5.902 5.263) 9.797 25.749 ( 6.171 6.022 -8.003) 11.764 26.554 ( -1.802 -4.817 3.773) 6.378 26.609 ( -1.318 -4.794 -1.651) 5.238 ======================= Grid point 403 (129/144) ======================= q-point: (-0.45 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -7.442 10.369 2.455) 12.997 1.502 ( -6.581 14.803 -1.822) 16.302 2.015 ( -3.277 5.173 5.241) 8.060 2.118 ( -3.261 5.454 -5.641) 8.497 2.725 ( -15.639 4.349 7.605) 17.925 2.916 ( -8.159 8.479 -10.750) 15.939 3.313 ( 8.188 -0.992 4.876) 9.582 3.398 ( 2.716 -0.481 -2.756) 3.899 3.565 ( 2.068 -5.124 13.399) 14.494 3.817 ( -2.618 -0.223 -10.667) 10.986 4.520 ( -0.387 -1.335 10.163) 10.258 4.754 ( -0.361 -2.532 -13.006) 13.255 5.327 ( -20.153 -1.811 0.841) 20.251 5.358 ( -15.639 -2.144 -0.950) 15.814 5.557 ( -3.556 -1.043 11.185) 11.783 5.792 ( 0.444 -0.728 -11.029) 11.062 7.466 ( 1.735 -11.213 8.685) 14.289 7.623 ( 2.451 -9.447 -7.072) 12.053 9.523 ( 6.557 3.303 4.227) 8.471 9.602 ( 6.621 4.190 -3.726) 8.676 10.290 ( -3.318 -0.283 0.903) 3.450 10.327 ( -2.329 -0.238 -2.778) 3.633 11.128 ( -3.884 2.314 5.446) 7.078 11.185 ( -0.858 2.165 -0.004) 2.329 11.360 ( 0.617 1.607 -1.146) 2.067 11.412 ( -4.111 0.941 -4.899) 6.465 13.773 ( 5.502 -2.175 8.860) 10.654 13.925 ( 4.117 -3.271 -6.574) 8.418 22.456 ( -8.785 -1.201 3.540) 9.548 22.531 ( -8.115 -2.811 -3.989) 9.469 23.660 ( -0.269 4.714 4.959) 6.848 23.761 ( -2.619 3.775 -5.116) 6.877 25.625 ( 4.272 7.744 5.348) 10.336 25.755 ( 4.150 8.127 -7.666) 11.918 26.600 ( 0.341 -5.752 3.603) 6.795 26.659 ( 0.404 -5.738 -2.158) 6.144 ======================= Grid point 404 (130/144) ======================= q-point: (-0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -6.976 15.257 2.620) 16.979 1.283 ( -2.249 9.200 -6.392) 11.426 1.858 ( -11.798 4.829 5.776) 13.995 1.981 ( -9.485 3.097 -6.326) 11.814 2.454 ( -7.052 7.994 11.999) 16.051 2.698 ( -2.800 10.330 -11.382) 15.624 3.199 ( -14.211 3.932 8.701) 17.121 3.360 ( -8.326 1.867 -7.314) 11.239 3.766 ( 10.853 -1.796 8.180) 13.708 3.900 ( 10.675 -2.133 -3.467) 11.425 4.537 ( -0.441 -2.586 10.284) 10.613 4.787 ( -4.315 -5.844 -12.290) 14.277 4.972 ( -19.144 1.306 2.465) 19.346 5.096 ( -15.923 1.535 -7.683) 17.747 5.557 ( -0.836 -4.448 15.257) 15.914 5.841 ( 1.954 -3.827 -12.912) 13.608 7.649 ( 3.595 -14.447 7.672) 16.748 7.786 ( 3.758 -11.407 -6.109) 13.475 9.588 ( 6.099 4.106 3.904) 8.325 9.665 ( 5.824 3.278 -3.795) 7.685 10.240 ( -3.250 -0.498 2.135) 3.920 10.295 ( -1.831 -0.255 -3.332) 3.810 11.017 ( -5.913 1.846 8.369) 10.412 11.150 ( -0.856 2.544 -4.037) 4.848 11.325 ( -2.933 2.289 -2.110) 4.277 11.348 ( -0.274 3.601 -3.914) 5.326 13.898 ( 5.944 -3.703 8.641) 11.123 14.035 ( 4.544 -3.823 -5.383) 8.015 22.314 ( -9.630 -0.428 4.956) 10.839 22.417 ( -9.003 -1.605 -5.274) 10.557 23.587 ( -0.841 6.865 4.080) 8.029 23.676 ( -2.313 4.625 -4.687) 6.979 25.590 ( 2.489 8.859 5.141) 10.541 25.714 ( 2.478 9.431 -7.241) 12.146 26.683 ( 1.649 -6.540 3.443) 7.572 26.743 ( 1.585 -6.645 -2.326) 7.217 ======================= Grid point 405 (131/144) ======================= q-point: (-0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 4.725 9.421 10.684) 15.008 1.252 ( 5.445 1.764 -11.821) 13.134 1.528 ( -21.620 2.990 8.913) 23.576 1.741 ( -15.665 1.970 -12.039) 19.854 2.357 ( 7.939 11.974 16.538) 21.907 2.638 ( 6.940 10.092 -7.333) 14.276 2.877 ( -15.339 8.527 7.880) 19.237 3.125 ( -14.404 5.427 -13.727) 20.625 3.919 ( 6.913 -0.298 10.821) 12.844 4.090 ( 9.821 -0.203 -3.316) 10.367 4.444 ( -14.401 0.929 4.737) 15.189 4.647 ( -14.380 -0.566 -10.072) 17.565 4.744 ( -4.147 0.496 9.835) 10.685 5.020 ( 2.244 -3.480 -14.673) 15.246 5.611 ( 0.005 -6.553 17.727) 18.899 5.922 ( 1.515 -5.447 -13.393) 14.538 7.880 ( 3.780 -16.889 5.650) 18.206 7.981 ( 3.518 -13.296 -4.368) 14.430 9.622 ( 3.639 4.482 4.368) 7.240 9.712 ( 3.240 1.858 -4.562) 5.896 10.201 ( -2.246 -0.765 3.494) 4.224 10.275 ( -1.055 -0.301 -3.796) 3.951 10.915 ( -3.890 1.974 9.874) 10.795 11.104 ( -1.346 2.518 -8.492) 8.959 11.251 ( -1.739 3.739 0.369) 4.140 11.300 ( -0.091 5.060 -4.439) 6.731 14.035 ( 4.540 -5.527 7.691) 10.503 14.145 ( 3.370 -4.186 -3.704) 6.527 22.169 ( -7.316 1.010 5.621) 9.281 22.284 ( -7.442 0.655 -5.886) 9.511 23.492 ( -0.574 8.558 4.154) 9.530 23.587 ( -1.299 6.676 -5.277) 8.608 25.520 ( 0.912 9.025 4.793) 10.259 25.636 ( 1.042 10.049 -6.957) 12.267 26.787 ( 1.677 -7.481 3.532) 8.441 26.848 ( 1.696 -7.715 -2.364) 8.245 ======================= Grid point 406 (132/144) ======================= q-point: (-0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.000 3.025 19.719) 19.949 1.176 ( 0.000 -1.221 9.482) 9.560 1.350 ( 0.000 -0.132 -8.247) 8.248 1.557 ( 0.000 -2.347 -21.824) 21.950 2.420 ( -0.000 13.241 18.855) 23.040 2.435 ( -0.000 10.954 20.769) 23.480 2.768 ( -0.000 8.247 -12.658) 15.107 2.835 ( -0.000 8.772 -22.789) 24.419 3.987 ( 0.000 -1.342 12.391) 12.463 4.209 ( -0.000 2.006 12.474) 12.635 4.248 ( -0.000 0.602 -14.075) 14.088 4.464 ( -0.000 2.296 -12.983) 13.185 4.755 ( 0.000 -0.597 15.722) 15.733 5.076 ( 0.000 -1.694 -16.309) 16.397 5.687 ( 0.000 -6.779 18.253) 19.472 5.994 ( 0.000 -5.280 -12.712) 13.765 8.104 ( 0.000 -17.341 3.512) 17.693 8.163 ( 0.000 -14.149 -2.326) 14.339 9.608 ( -0.000 3.429 5.755) 6.699 9.725 ( -0.000 0.521 -5.917) 5.940 10.189 ( 0.000 -0.745 3.998) 4.066 10.268 ( 0.000 -0.215 -3.857) 3.863 10.860 ( -0.000 2.013 10.040) 10.240 11.062 ( -0.000 2.636 -10.053) 10.393 11.194 ( -0.000 4.369 0.957) 4.473 11.239 ( -0.000 5.956 -4.010) 7.180 14.143 ( 0.000 -6.468 6.023) 8.839 14.219 ( 0.000 -3.855 -2.079) 4.380 22.087 ( -0.000 1.766 5.479) 5.757 22.198 ( -0.000 2.069 -5.602) 5.972 23.389 ( -0.000 9.616 4.341) 10.550 23.491 ( -0.000 8.981 -5.918) 10.755 25.435 ( -0.000 7.927 4.190) 8.967 25.538 ( -0.000 9.470 -6.394) 11.427 26.885 ( 0.000 -7.597 3.888) 8.534 26.951 ( 0.000 -8.190 -2.530) 8.572 ======================= Grid point 411 (133/144) ======================= q-point: ( 0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 5.375 0.000 8.126) 9.743 1.799 ( 0.727 0.000 -9.347) 9.375 2.213 ( 10.436 0.000 6.259) 12.169 2.337 ( 17.018 0.000 -6.113) 18.083 2.739 ( -11.502 -0.000 9.713) 15.055 2.877 ( -4.904 -0.000 -4.031) 6.348 3.455 ( 3.596 0.000 0.588) 3.643 3.489 ( -1.613 -0.000 -2.603) 3.062 3.756 ( -4.929 -0.000 4.815) 6.890 3.849 ( 1.873 0.000 -4.414) 4.795 4.436 ( -1.872 -0.000 14.272) 14.394 4.734 ( -2.369 -0.000 -15.355) 15.537 5.537 ( -4.694 -0.000 1.547) 4.942 5.573 ( 0.324 0.000 -1.895) 1.923 5.838 ( -6.861 -0.000 6.276) 9.298 5.965 ( -6.343 -0.000 -6.429) 9.032 7.295 ( -6.249 -0.000 4.643) 7.785 7.396 ( -3.920 -0.000 -5.582) 6.821 9.441 ( 3.121 0.000 7.127) 7.780 9.563 ( 2.759 0.000 -5.020) 5.728 10.353 ( -0.929 -0.000 -0.081) 0.933 10.373 ( -0.782 -0.000 -2.275) 2.405 11.113 ( 4.754 0.000 3.616) 5.973 11.195 ( 5.580 0.000 -4.719) 7.308 11.430 ( -3.410 -0.000 7.117) 7.891 11.551 ( -2.344 -0.000 -5.085) 5.599 13.619 ( 1.181 0.000 7.898) 7.986 13.765 ( -0.026 -0.000 -6.761) 6.761 22.650 ( -5.574 -0.000 1.417) 5.751 22.685 ( -6.092 -0.000 -2.037) 6.424 23.685 ( 4.830 0.000 9.870) 10.989 23.896 ( 1.647 0.000 -11.072) 11.193 25.609 ( 8.022 0.000 3.996) 8.962 25.714 ( 10.286 0.000 -6.596) 12.220 26.525 ( -5.688 -0.000 3.349) 6.601 26.565 ( -4.284 -0.000 -0.561) 4.321 ======================= Grid point 412 (134/144) ======================= q-point: ( 0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 2.521 1.067 5.441) 6.091 1.788 ( -1.706 1.131 -4.239) 4.707 2.260 ( -1.026 4.389 6.400) 7.828 2.384 ( -6.024 3.253 -4.793) 8.357 2.807 ( 14.929 -0.881 8.051) 16.985 2.953 ( 12.938 0.206 -4.662) 13.754 3.350 ( -10.338 2.371 1.537) 10.717 3.409 ( -6.002 4.596 -4.901) 9.009 3.639 ( -8.863 0.282 9.012) 12.643 3.833 ( -5.558 -3.232 -10.307) 12.148 4.456 ( 2.371 -1.426 12.721) 13.019 4.721 ( 0.007 -0.702 -14.019) 14.037 5.450 ( -7.620 -0.406 3.136) 8.250 5.520 ( -9.319 -0.982 -4.167) 10.256 5.683 ( -10.620 -0.079 8.708) 13.734 5.840 ( -6.294 -0.036 -6.777) 9.249 7.234 ( -3.652 -3.293 7.646) 9.091 7.383 ( -0.538 -3.410 -7.351) 8.121 9.503 ( 5.358 1.253 6.606) 8.598 9.619 ( 5.306 1.826 -4.980) 7.503 10.330 ( -2.022 -0.082 0.160) 2.030 10.354 ( -1.678 -0.157 -2.392) 2.926 11.182 ( 3.800 0.763 3.738) 5.384 11.257 ( 0.382 0.568 -2.703) 2.788 11.371 ( -1.778 0.003 5.371) 5.658 11.494 ( -4.129 0.243 -5.831) 7.149 13.661 ( 3.506 -0.393 6.918) 7.766 13.790 ( 1.966 -1.431 -6.011) 6.484 22.557 ( -6.232 -0.011 0.690) 6.270 22.579 ( -7.394 -1.314 -1.509) 7.660 23.732 ( 1.792 0.933 7.600) 7.864 23.887 ( -1.523 1.351 -7.781) 8.043 25.725 ( 7.998 3.195 5.529) 10.234 25.859 ( 9.200 3.332 -7.871) 12.557 26.460 ( -3.931 -3.034 4.131) 6.460 26.522 ( -2.655 -2.599 -1.980) 4.210 ======================= Grid point 413 (135/144) ======================= q-point: (-0.55 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -5.004 5.570 4.372) 8.671 1.708 ( -5.446 3.760 -2.101) 6.944 2.164 ( -1.174 8.498 3.767) 9.370 2.258 ( -2.713 6.523 -5.141) 8.737 2.837 ( -10.870 5.429 13.195) 17.937 3.110 ( -0.526 9.013 -12.188) 15.168 3.283 ( 7.526 -2.299 5.287) 9.480 3.373 ( 10.552 -3.070 -4.447) 11.855 3.482 ( -9.287 -0.477 12.303) 15.422 3.764 ( -6.414 -4.568 -14.551) 16.545 4.503 ( 1.603 -0.195 10.899) 11.018 4.724 ( -1.027 -0.450 -11.583) 11.637 5.276 ( -16.604 -2.229 0.307) 16.756 5.305 ( -16.201 -2.616 -2.247) 16.564 5.548 ( -6.104 -0.110 12.895) 14.268 5.785 ( -1.741 -0.105 -10.456) 10.601 7.247 ( -2.287 -8.194 10.425) 13.455 7.440 ( 0.683 -6.801 -9.023) 11.320 9.584 ( 6.743 2.208 5.885) 9.218 9.691 ( 6.858 3.344 -4.803) 9.016 10.289 ( -2.925 0.152 0.829) 3.044 10.324 ( -2.033 -0.022 -2.748) 3.419 11.171 ( -5.483 1.613 6.106) 8.363 11.221 ( 0.364 1.093 1.101) 1.593 11.388 ( 2.193 0.906 -2.309) 3.311 11.426 ( -3.367 0.386 -5.031) 6.066 13.735 ( 4.470 -1.208 6.666) 8.116 13.855 ( 3.078 -2.908 -5.434) 6.889 22.441 ( -8.034 -0.254 1.912) 8.262 22.485 ( -6.419 -1.509 -2.502) 7.052 23.730 ( 0.079 1.990 4.903) 5.293 23.828 ( -2.966 2.300 -4.874) 6.151 25.788 ( 6.380 6.733 6.039) 11.068 25.926 ( 6.334 7.381 -7.586) 12.335 26.469 ( -1.173 -6.107 3.813) 7.294 26.536 ( -0.849 -5.171 -2.727) 5.907 ======================= Grid point 414 (136/144) ======================= q-point: (-0.45 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -8.325 8.492 3.370) 12.360 1.529 ( -7.392 8.499 -4.677) 12.197 2.007 ( -7.735 10.707 4.354) 13.908 2.110 ( -6.092 9.265 -5.568) 12.408 2.621 ( -3.661 6.457 15.495) 17.181 2.918 ( -3.329 9.835 -12.730) 16.428 3.266 ( -11.922 2.620 7.411) 14.281 3.386 ( -4.484 0.653 -3.740) 5.875 3.673 ( 14.475 -6.398 5.995) 16.923 3.833 ( 9.153 -5.084 -8.162) 13.275 4.508 ( -0.474 0.312 8.146) 8.166 4.692 ( -4.653 -2.119 -9.320) 10.630 4.987 ( -18.109 -0.107 3.041) 18.363 5.101 ( -12.786 -1.286 -6.686) 14.486 5.480 ( -4.049 -2.574 15.459) 16.187 5.773 ( -1.082 -2.327 -13.506) 13.747 7.339 ( -0.574 -13.358 11.384) 17.560 7.548 ( 1.421 -10.117 -9.600) 14.019 9.665 ( 6.422 2.994 5.013) 8.680 9.759 ( 6.623 4.620 -4.412) 9.202 10.236 ( -3.291 0.139 2.152) 3.934 10.292 ( -1.832 -0.018 -3.438) 3.895 11.056 ( -5.892 1.597 8.930) 10.817 11.199 ( -0.992 1.982 -4.298) 4.836 11.365 ( -1.951 1.483 -1.243) 2.748 11.408 ( 1.059 1.995 -4.519) 5.052 13.827 ( 4.319 -2.656 6.994) 8.639 13.945 ( 3.247 -4.189 -4.997) 7.284 22.312 ( -7.917 0.089 4.063) 8.899 22.396 ( -6.000 -0.474 -4.363) 7.434 23.697 ( -0.540 3.385 2.704) 4.366 23.753 ( -2.681 2.754 -2.805) 4.758 25.788 ( 4.132 9.053 5.876) 11.557 25.915 ( 3.732 9.232 -6.620) 11.957 26.539 ( 0.612 -6.963 2.844) 7.546 26.598 ( 0.363 -6.624 -2.799) 7.200 ======================= Grid point 415 (137/144) ======================= q-point: (-0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -6.167 6.925 5.198) 10.630 1.366 ( -0.995 6.177 -8.559) 10.602 1.693 ( -12.386 14.139 8.092) 20.464 1.868 ( -9.809 11.044 -9.016) 17.306 2.585 ( 7.682 8.278 15.069) 18.831 2.841 ( 4.498 8.443 -6.563) 11.601 3.024 ( -11.748 5.325 5.344) 13.962 3.219 ( -11.251 3.244 -10.810) 15.936 3.913 ( 8.615 -1.619 9.059) 12.606 4.062 ( 12.154 -2.766 -2.962) 12.812 4.454 ( -9.248 -0.098 3.691) 9.958 4.609 ( -6.141 -1.548 -2.919) 6.973 4.755 ( -10.088 0.228 2.077) 10.303 4.962 ( -3.192 -0.996 -12.329) 12.774 5.476 ( -1.966 -5.734 17.915) 18.912 5.805 ( -0.148 -5.186 -14.898) 15.775 7.507 ( 0.667 -17.223 10.338) 20.099 7.697 ( 1.540 -12.784 -8.712) 15.547 9.716 ( 4.026 3.725 3.822) 6.686 9.794 ( 4.009 5.438 -3.901) 7.801 10.189 ( -2.373 -0.345 3.833) 4.521 10.269 ( -1.075 -0.200 -4.121) 4.264 10.959 ( -3.520 1.972 10.389) 11.144 11.157 ( -1.148 2.309 -8.931) 9.296 11.319 ( -1.087 2.589 1.625) 3.245 11.389 ( 0.246 3.313 -5.249) 6.212 13.926 ( 2.974 -4.440 7.419) 9.143 14.042 ( 2.290 -5.113 -4.480) 7.173 22.193 ( -5.506 1.173 5.526) 7.889 22.306 ( -4.452 1.179 -5.676) 7.309 23.640 ( -0.654 5.197 2.294) 5.719 23.690 ( -1.153 3.268 -2.613) 4.340 25.732 ( 1.864 10.247 5.694) 11.871 25.855 ( 1.742 10.092 -6.463) 12.110 26.628 ( 0.858 -7.293 2.545) 7.772 26.683 ( 0.667 -7.521 -2.700) 8.019 ======================= Grid point 416 (138/144) ======================= q-point: (-0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 -0.058 9.297) 9.297 1.356 ( -0.000 0.575 -10.054) 10.071 1.379 ( -0.000 17.905 10.532) 20.773 1.633 ( -0.000 10.200 -14.359) 17.613 2.643 ( -0.000 7.608 17.137) 18.750 2.695 ( -0.000 11.860 14.945) 19.079 2.925 ( -0.000 6.268 -11.074) 12.724 3.011 ( -0.000 7.214 -16.962) 18.433 3.988 ( -0.000 0.541 12.188) 12.200 4.256 ( 0.000 -0.985 -14.453) 14.487 4.261 ( -0.000 2.720 12.882) 13.166 4.525 ( -0.000 3.324 -13.466) 13.870 4.703 ( 0.000 -3.218 13.824) 14.194 4.991 ( 0.000 -4.905 -14.646) 15.445 5.533 ( 0.000 -7.205 18.985) 20.306 5.868 ( 0.000 -6.204 -14.710) 15.965 7.711 ( 0.000 -18.811 8.033) 20.454 7.858 ( 0.000 -14.133 -6.632) 15.611 9.705 ( -0.000 4.686 3.061) 5.597 9.772 ( -0.000 4.250 -3.548) 5.536 10.174 ( 0.000 -0.640 4.514) 4.559 10.263 ( 0.000 -0.276 -4.308) 4.317 10.907 ( -0.000 2.234 10.735) 10.965 11.120 ( -0.000 2.640 -10.476) 10.804 11.277 ( -0.000 3.366 2.231) 4.038 11.350 ( -0.000 4.293 -5.305) 6.824 14.008 ( 0.000 -5.799 7.585) 9.548 14.119 ( 0.000 -5.303 -3.906) 6.586 22.127 ( -0.000 1.917 5.835) 6.142 22.245 ( -0.000 2.248 -5.940) 6.351 23.570 ( -0.000 6.887 3.084) 7.546 23.639 ( -0.000 4.833 -3.699) 6.086 25.634 ( -0.000 10.331 5.434) 11.673 25.758 ( -0.000 10.559 -6.856) 12.590 26.717 ( 0.000 -7.762 2.912) 8.290 26.774 ( 0.000 -8.114 -2.590) 8.517 ======================= Grid point 423 (139/144) ======================= q-point: ( 0.36 -0.64 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -2.749 -0.000 2.227) 3.538 1.729 ( -6.541 -0.000 -0.257) 6.546 2.279 ( 1.011 0.000 1.951) 2.197 2.335 ( -1.797 -0.000 -3.015) 3.510 2.911 ( -8.917 -0.000 17.861) 19.963 3.227 ( 15.038 0.000 4.455) 15.684 3.279 ( 8.478 0.000 0.649) 8.503 3.284 ( -6.973 -0.000 -15.250) 16.769 3.508 ( -9.169 -0.000 4.029) 10.015 3.684 ( -9.377 -0.000 -12.253) 15.429 4.504 ( 3.798 0.000 11.034) 11.670 4.722 ( -0.146 -0.000 -11.137) 11.138 5.252 ( -15.414 -0.000 -0.452) 15.420 5.269 ( -17.998 -0.000 -2.470) 18.166 5.547 ( -6.688 -0.000 13.475) 15.043 5.784 ( -2.241 -0.000 -10.205) 10.448 7.154 ( -3.801 -0.000 11.149) 11.780 7.363 ( 0.151 0.000 -9.924) 9.925 9.609 ( 6.692 0.000 6.664) 9.444 9.728 ( 6.821 0.000 -5.274) 8.622 10.292 ( -2.678 -0.000 0.697) 2.767 10.324 ( -1.884 -0.000 -2.652) 3.253 11.190 ( -6.700 -0.000 6.393) 9.261 11.232 ( 1.544 0.000 1.535) 2.177 11.398 ( 3.021 0.000 -2.634) 4.008 11.430 ( -3.524 -0.000 -5.172) 6.258 13.723 ( 4.209 0.000 5.272) 6.746 13.820 ( 2.672 0.000 -4.517) 5.249 22.440 ( -8.220 -0.000 1.069) 8.289 22.468 ( -5.286 -0.000 -1.727) 5.561 23.751 ( 0.032 0.000 5.145) 5.145 23.854 ( -3.186 -0.000 -5.119) 6.029 25.871 ( 7.326 0.000 6.595) 9.857 26.024 ( 8.200 0.000 -8.658) 11.925 26.385 ( -2.748 -0.000 5.302) 5.972 26.473 ( -1.439 -0.000 -3.490) 3.775 ======================= Grid point 425 (140/144) ======================= q-point: (-0.55 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -12.155 2.560 2.075) 12.594 1.605 ( -8.978 0.479 -3.004) 9.479 2.261 ( 1.084 9.442 1.407) 9.608 2.304 ( -0.141 5.939 -3.080) 6.691 2.697 ( -9.376 0.670 23.228) 25.058 3.089 ( -6.769 4.789 -10.223) 13.163 3.322 ( -10.932 2.855 1.956) 11.466 3.396 ( -3.210 0.426 -1.303) 3.490 3.559 ( 16.472 -2.521 -0.430) 16.669 3.673 ( 8.764 -8.175 -10.689) 16.059 4.548 ( 2.053 2.433 9.089) 9.630 4.677 ( -6.198 -0.385 -3.305) 7.035 4.986 ( -15.121 0.884 -1.667) 15.238 5.047 ( -10.859 -3.175 -6.528) 13.062 5.446 ( -6.157 -0.679 15.923) 17.086 5.743 ( -3.209 -0.643 -13.538) 13.928 7.126 ( -2.912 -5.558 14.032) 15.371 7.387 ( 0.215 -4.170 -12.272) 12.963 9.711 ( 6.455 1.166 6.614) 9.315 9.832 ( 6.945 1.783 -5.321) 8.929 10.242 ( -3.265 0.281 1.771) 3.725 10.293 ( -1.868 0.064 -3.270) 3.766 11.081 ( -5.960 0.622 9.210) 10.987 11.230 ( -1.040 0.763 -4.386) 4.571 11.387 ( -1.454 0.534 -0.939) 1.811 11.435 ( 1.790 0.603 -4.464) 4.848 13.791 ( 3.667 -0.728 4.694) 6.001 13.874 ( 2.554 -2.043 -3.684) 4.926 22.314 ( -7.108 0.090 3.662) 7.996 22.391 ( -4.375 -0.078 -4.012) 5.936 23.740 ( -0.582 0.866 2.675) 2.871 23.794 ( -3.196 1.013 -2.704) 4.307 25.946 ( 4.953 4.654 6.844) 9.646 26.095 ( 4.888 6.638 -7.581) 11.200 26.392 ( -0.302 -5.869 4.430) 7.360 26.480 ( -0.066 -3.524 -4.047) 5.367 ======================= Grid point 426 (141/144) ======================= q-point: (-0.45 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -13.849 1.622 5.469) 14.978 1.445 ( -7.594 1.702 -8.531) 11.547 2.075 ( -3.256 18.893 7.302) 20.515 2.177 ( -1.634 14.673 -4.192) 15.347 2.668 ( 2.994 -1.251 17.411) 17.711 2.988 ( 0.476 5.047 -6.032) 7.880 3.120 ( -8.486 3.991 -0.610) 9.398 3.262 ( -9.233 0.785 -8.388) 12.498 3.832 ( 11.174 -4.423 5.134) 13.068 3.955 ( 12.176 -7.375 -6.218) 15.534 4.461 ( -9.124 1.499 7.412) 11.850 4.609 ( -0.750 0.858 0.816) 1.402 4.769 ( -10.182 1.207 0.115) 10.254 4.959 ( -3.667 -0.088 -11.875) 12.429 5.379 ( -3.984 -3.078 17.378) 18.093 5.713 ( -2.238 -3.083 -15.765) 16.219 7.186 ( -1.153 -11.633 14.725) 18.801 7.461 ( 0.386 -8.497 -12.929) 15.476 9.781 ( 4.110 2.254 6.299) 7.852 9.902 ( 4.980 3.868 -5.601) 8.435 10.187 ( -2.902 0.130 3.644) 4.660 10.266 ( -1.260 -0.048 -4.139) 4.327 10.994 ( -3.391 1.196 10.647) 11.238 11.197 ( -1.188 1.365 -9.207) 9.384 11.362 ( -0.579 1.424 2.428) 2.873 11.442 ( 0.595 1.617 -5.250) 5.525 13.854 ( 2.231 -2.107 5.220) 6.055 13.941 ( 1.675 -3.895 -3.624) 5.577 22.215 ( -4.441 0.756 5.587) 7.177 22.328 ( -2.850 0.821 -5.729) 6.452 23.716 ( -0.566 1.983 1.058) 2.318 23.739 ( -1.686 1.494 -1.175) 2.540 25.935 ( 2.348 8.001 6.343) 10.476 26.062 ( 2.038 9.047 -5.520) 10.793 26.472 ( 0.631 -7.363 2.183) 7.706 26.536 ( 0.369 -5.813 -3.511) 6.801 ======================= Grid point 427 (142/144) ======================= q-point: (-0.36 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -0.000 0.429 8.911) 8.921 1.370 ( -0.000 0.692 -11.334) 11.355 1.820 ( -0.000 21.699 8.045) 23.142 1.968 ( -0.000 18.933 -7.108) 20.224 2.732 ( -0.000 0.127 15.931) 15.932 2.909 ( -0.000 7.877 11.174) 13.672 3.035 ( -0.000 3.999 -13.489) 14.070 3.131 ( -0.000 3.927 -11.292) 11.956 3.967 ( 0.000 -3.078 8.836) 9.357 4.171 ( 0.000 -6.991 -11.308) 13.294 4.319 ( -0.000 2.542 13.881) 14.112 4.599 ( -0.000 3.332 -13.945) 14.338 4.658 ( 0.000 -0.461 12.620) 12.629 4.928 ( 0.000 -0.362 -13.881) 13.886 5.394 ( 0.000 -5.386 18.629) 19.392 5.742 ( 0.000 -5.206 -16.165) 16.983 7.328 ( 0.000 -15.999 13.209) 20.747 7.575 ( 0.000 -11.697 -11.542) 16.433 9.786 ( -0.000 3.096 5.153) 6.011 9.892 ( -0.000 5.744 -5.327) 7.834 10.163 ( 0.000 -0.411 4.895) 4.913 10.257 ( 0.000 -0.212 -4.516) 4.521 10.950 ( -0.000 1.713 11.090) 11.222 11.169 ( -0.000 1.898 -10.723) 10.889 11.337 ( -0.000 2.216 3.184) 3.879 11.423 ( -0.000 2.591 -5.569) 6.142 13.904 ( 0.000 -3.667 6.262) 7.257 14.004 ( 0.000 -5.046 -3.939) 6.401 22.164 ( -0.000 1.460 6.163) 6.334 22.289 ( -0.000 1.713 -6.252) 6.482 23.680 ( -0.000 3.498 1.309) 3.735 23.709 ( -0.000 2.021 -1.499) 2.516 25.857 ( -0.000 9.862 5.958) 11.522 25.977 ( -0.000 9.733 -5.492) 11.176 26.557 ( 0.000 -7.309 1.798) 7.527 26.609 ( 0.000 -7.105 -2.977) 7.703 ======================= Grid point 436 (143/144) ======================= q-point: ( 0.45 -0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -15.262 -0.000 5.370) 16.179 1.461 ( -8.490 -0.000 -8.767) 12.204 2.356 ( 1.165 0.000 -0.306) 1.205 2.366 ( 2.323 0.000 -1.821) 2.951 2.579 ( -3.229 -0.000 29.561) 29.737 3.045 ( -1.629 -0.000 -4.422) 4.712 3.180 ( -8.294 -0.000 -9.284) 12.450 3.261 ( -8.272 -0.000 -6.401) 10.459 3.800 ( 10.077 0.000 -0.682) 10.100 3.822 ( 14.311 0.000 -3.594) 14.756 4.492 ( -12.385 -0.000 9.423) 15.562 4.616 ( 3.060 0.000 5.342) 6.156 4.790 ( -10.200 -0.000 -3.381) 10.745 4.954 ( -0.620 -0.000 -12.287) 12.303 5.347 ( -4.961 -0.000 17.129) 17.833 5.680 ( -3.365 -0.000 -15.966) 16.317 7.054 ( -1.854 -0.000 16.560) 16.663 7.364 ( -0.051 -0.000 -14.718) 14.718 9.806 ( 4.180 0.000 7.380) 8.481 9.944 ( 5.438 0.000 -6.082) 8.159 10.190 ( -3.262 -0.000 3.251) 4.605 10.266 ( -1.386 -0.000 -4.078) 4.307 11.007 ( -3.361 -0.000 10.723) 11.237 11.212 ( -1.246 -0.000 -9.321) 9.404 11.378 ( -0.360 -0.000 2.689) 2.713 11.459 ( 0.751 0.000 -5.088) 5.143 13.834 ( 2.057 0.000 3.588) 4.136 13.895 ( 1.440 0.000 -2.590) 2.964 22.223 ( -4.087 -0.000 5.625) 6.953 22.338 ( -2.340 -0.000 -5.772) 6.228 23.735 ( -0.483 -0.000 0.969) 1.083 23.756 ( -2.010 -0.000 -1.068) 2.276 26.032 ( 2.352 0.000 7.534) 7.893 26.203 ( 2.653 0.000 -9.464) 9.829 26.349 ( 0.068 0.000 6.619) 6.619 26.465 ( 0.454 0.000 -5.008) 5.029 ======================= Grid point 438 (144/144) ======================= q-point: (-0.45 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -0.000 0.230 8.620) 8.623 1.382 ( -0.000 0.295 -11.992) 11.996 2.258 ( -0.000 17.413 6.944) 18.747 2.315 ( -0.000 10.358 -1.998) 10.549 2.634 ( 0.000 -8.767 21.194) 22.936 3.025 ( -0.000 2.776 8.502) 8.944 3.096 ( -0.000 1.603 -20.962) 21.023 3.183 ( -0.000 1.063 -7.535) 7.609 3.896 ( 0.000 -1.880 3.293) 3.791 4.001 ( 0.000 -6.702 -7.997) 10.434 4.360 ( -0.000 1.080 15.000) 15.039 4.654 ( -0.000 1.456 -14.065) 14.140 4.677 ( -0.000 1.234 13.767) 13.822 4.948 ( -0.000 1.105 -13.327) 13.373 5.313 ( 0.000 -1.965 17.623) 17.733 5.661 ( 0.000 -2.108 -16.853) 16.984 7.074 ( 0.000 -6.605 16.779) 18.032 7.390 ( 0.000 -4.784 -14.982) 15.728 9.835 ( -0.000 1.243 7.463) 7.565 9.983 ( -0.000 2.331 -7.294) 7.657 10.157 ( 0.000 -0.140 5.098) 5.100 10.254 ( 0.000 -0.078 -4.582) 4.583 10.976 ( -0.000 0.639 11.212) 11.230 11.198 ( -0.000 0.686 -10.821) 10.843 11.371 ( -0.000 0.834 3.647) 3.741 11.460 ( -0.000 0.859 -5.342) 5.410 13.856 ( 0.000 -0.943 3.883) 3.996 13.920 ( 0.000 -2.392 -2.667) 3.582 22.186 ( -0.000 0.543 6.359) 6.382 22.315 ( -0.000 0.638 -6.438) 6.470 23.726 ( -0.000 0.922 0.392) 1.002 23.736 ( -0.000 0.612 -0.516) 0.801 26.024 ( -0.000 4.733 7.149) 8.574 26.170 ( -0.000 7.827 -6.253) 10.018 26.400 ( 0.000 -6.962 3.291) 7.701 26.489 ( 0.000 -3.459 -4.557) 5.721 =================== 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 3/30492 10.0 181.576 112.536 139.709 0.000 0.000 -0.000 3/30492 20.0 81.536 36.565 58.493 0.000 0.000 0.000 3/30492 30.0 48.721 20.288 32.674 0.000 0.000 0.000 3/30492 40.0 33.486 13.432 21.541 0.000 0.000 0.000 3/30492 50.0 25.099 9.824 15.786 0.000 0.000 0.000 3/30492 60.0 19.935 7.669 12.386 0.000 0.000 0.000 3/30492 70.0 16.487 6.264 10.169 0.000 0.000 0.000 3/30492 80.0 14.040 5.285 8.618 0.000 0.000 0.000 3/30492 90.0 12.221 4.569 7.477 0.000 0.000 0.000 3/30492 100.0 10.819 4.024 6.604 0.000 0.000 0.000 3/30492 110.0 9.709 3.598 5.917 0.000 0.000 0.000 3/30492 120.0 8.808 3.255 5.363 0.000 0.000 0.000 3/30492 130.0 8.063 2.973 4.907 0.000 0.000 0.000 3/30492 140.0 7.438 2.739 4.526 0.000 0.000 0.000 3/30492 150.0 6.906 2.542 4.204 0.000 0.000 0.000 3/30492 160.0 6.449 2.373 3.927 0.000 0.000 0.000 3/30492 170.0 6.050 2.227 3.688 0.000 0.000 0.000 3/30492 180.0 5.701 2.100 3.478 0.000 0.000 0.000 3/30492 190.0 5.392 1.988 3.294 0.000 0.000 0.000 3/30492 200.0 5.117 1.890 3.130 0.000 0.000 0.000 3/30492 210.0 4.870 1.802 2.983 0.000 0.000 0.000 3/30492 220.0 4.648 1.724 2.852 0.000 0.000 0.000 3/30492 230.0 4.446 1.653 2.733 0.000 0.000 0.000 3/30492 240.0 4.262 1.589 2.624 0.000 0.000 0.000 3/30492 250.0 4.094 1.530 2.525 0.000 0.000 0.000 3/30492 260.0 3.940 1.477 2.434 0.000 0.000 0.000 3/30492 270.0 3.798 1.428 2.351 0.000 0.000 0.000 3/30492 280.0 3.666 1.383 2.273 0.000 0.000 0.000 3/30492 290.0 3.544 1.341 2.201 0.000 0.000 0.000 3/30492 300.0 3.430 1.302 2.134 0.000 0.000 0.000 3/30492 310.0 3.323 1.265 2.072 0.000 0.000 0.000 3/30492 320.0 3.223 1.231 2.013 0.000 0.000 0.000 3/30492 330.0 3.130 1.199 1.958 0.000 0.000 0.000 3/30492 340.0 3.042 1.169 1.906 0.000 0.000 0.000 3/30492 350.0 2.959 1.140 1.857 0.000 0.000 0.000 3/30492 360.0 2.881 1.113 1.811 0.000 0.000 0.000 3/30492 370.0 2.806 1.088 1.767 0.000 0.000 0.000 3/30492 380.0 2.736 1.063 1.726 0.000 0.000 0.000 3/30492 390.0 2.669 1.040 1.686 0.000 0.000 0.000 3/30492 400.0 2.606 1.018 1.648 0.000 0.000 0.000 3/30492 410.0 2.546 0.997 1.612 0.000 0.000 0.000 3/30492 420.0 2.488 0.977 1.578 0.000 0.000 0.000 3/30492 430.0 2.433 0.958 1.545 0.000 0.000 0.000 3/30492 440.0 2.380 0.939 1.513 0.000 0.000 0.000 3/30492 450.0 2.330 0.921 1.483 0.000 0.000 0.000 3/30492 460.0 2.282 0.904 1.454 0.000 0.000 0.000 3/30492 470.0 2.236 0.888 1.427 0.000 0.000 0.000 3/30492 480.0 2.191 0.872 1.400 0.000 0.000 0.000 3/30492 490.0 2.149 0.857 1.374 0.000 0.000 0.000 3/30492 500.0 2.108 0.842 1.349 0.000 0.000 0.000 3/30492 510.0 2.069 0.828 1.325 0.000 0.000 0.000 3/30492 520.0 2.031 0.814 1.302 0.000 0.000 0.000 3/30492 530.0 1.994 0.800 1.280 0.000 0.000 0.000 3/30492 540.0 1.959 0.788 1.258 0.000 0.000 0.000 3/30492 550.0 1.925 0.775 1.238 0.000 0.000 0.000 3/30492 560.0 1.892 0.763 1.218 0.000 0.000 0.000 3/30492 570.0 1.860 0.751 1.198 0.000 0.000 0.000 3/30492 580.0 1.830 0.740 1.179 0.000 0.000 0.000 3/30492 590.0 1.800 0.729 1.161 0.000 0.000 0.000 3/30492 600.0 1.771 0.718 1.143 0.000 0.000 0.000 3/30492 610.0 1.743 0.708 1.126 0.000 0.000 0.000 3/30492 620.0 1.716 0.698 1.109 0.000 0.000 0.000 3/30492 630.0 1.690 0.688 1.093 0.000 0.000 0.000 3/30492 640.0 1.665 0.679 1.078 0.000 0.000 0.000 3/30492 650.0 1.640 0.669 1.062 0.000 0.000 0.000 3/30492 660.0 1.616 0.660 1.047 0.000 0.000 0.000 3/30492 670.0 1.593 0.651 1.033 0.000 0.000 0.000 3/30492 680.0 1.571 0.643 1.019 0.000 0.000 0.000 3/30492 690.0 1.549 0.634 1.005 0.000 0.000 0.000 3/30492 700.0 1.527 0.626 0.992 0.000 0.000 0.000 3/30492 710.0 1.507 0.618 0.979 0.000 0.000 0.000 3/30492 720.0 1.486 0.611 0.966 0.000 0.000 0.000 3/30492 730.0 1.467 0.603 0.954 0.000 0.000 0.000 3/30492 740.0 1.448 0.596 0.942 0.000 0.000 0.000 3/30492 750.0 1.429 0.589 0.930 0.000 0.000 0.000 3/30492 760.0 1.411 0.581 0.919 0.000 0.000 -0.000 3/30492 770.0 1.393 0.575 0.908 0.000 0.000 -0.000 3/30492 780.0 1.376 0.568 0.897 0.000 0.000 -0.000 3/30492 790.0 1.359 0.561 0.886 0.000 0.000 -0.000 3/30492 800.0 1.342 0.555 0.876 0.000 0.000 -0.000 3/30492 810.0 1.326 0.549 0.866 0.000 0.000 -0.000 3/30492 820.0 1.311 0.543 0.856 0.000 0.000 -0.000 3/30492 830.0 1.295 0.537 0.846 0.000 0.000 -0.000 3/30492 840.0 1.280 0.531 0.837 0.000 0.000 -0.000 3/30492 850.0 1.266 0.525 0.827 0.000 0.000 -0.000 3/30492 860.0 1.251 0.519 0.818 0.000 0.000 -0.000 3/30492 870.0 1.238 0.514 0.809 0.000 0.000 -0.000 3/30492 880.0 1.224 0.508 0.801 0.000 0.000 -0.000 3/30492 890.0 1.210 0.503 0.792 0.000 0.000 -0.000 3/30492 900.0 1.197 0.498 0.784 0.000 0.000 -0.000 3/30492 910.0 1.185 0.493 0.776 0.000 0.000 -0.000 3/30492 920.0 1.172 0.488 0.768 0.000 0.000 -0.000 3/30492 930.0 1.160 0.483 0.760 0.000 0.000 -0.000 3/30492 940.0 1.148 0.478 0.752 0.000 0.000 -0.000 3/30492 950.0 1.136 0.474 0.745 0.000 0.000 -0.000 3/30492 960.0 1.124 0.469 0.737 0.000 0.000 -0.000 3/30492 970.0 1.113 0.464 0.730 0.000 0.000 -0.000 3/30492 980.0 1.102 0.460 0.723 0.000 0.000 -0.000 3/30492 990.0 1.091 0.456 0.716 0.000 0.000 -0.000 3/30492 1000.0 1.081 0.451 0.709 0.000 0.000 -0.000 3/30492 Thermal conductivity related properties were written into "kappa-m11117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:29:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|