----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:32:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.673796329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.769812690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.242344329999999 Atomic positions (fractional): *1 Ca 0.06721476294646 0.31951545133763 0.50000000000000 40.078 2 Ca 0.43278523705354 0.81951545133763 0.50000000000000 40.078 3 Ca 0.56721476294646 0.18048454866237 0.50000000000000 40.078 4 Ca 0.93278523705354 0.68048454866237 0.50000000000000 40.078 *5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 *7 O 0.13791961716668 0.80577653726075 0.00000000000000 15.999 *8 O 0.22781420477245 0.04428251504498 0.50000000000000 15.999 9 O 0.27218579522755 0.54428251504498 0.50000000000000 15.999 10 O 0.36208038283332 0.30577653726075 0.00000000000000 15.999 11 O 0.63791961716668 0.69422346273925 0.00000000000000 15.999 12 O 0.72781420477245 0.45571748495502 0.50000000000000 15.999 13 O 0.77218579522755 0.95571748495502 0.50000000000000 15.999 14 O 0.86208038283332 0.19422346273925 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.673796329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.769812690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.242344329999999 Atomic positions (fractional): *1 Ca 0.06721476294646 0.31951545133763 0.50000000000000 40.078 > 1 2 Ca 0.43278523705354 0.81951545133763 0.50000000000000 40.078 > 2 3 Ca 0.56721476294646 0.18048454866237 0.50000000000000 40.078 > 3 4 Ca 0.93278523705354 0.68048454866237 0.50000000000000 40.078 > 4 *5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 5 6 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 6 *7 O 0.13791961716668 0.80577653726075 0.00000000000000 15.999 > 7 *8 O 0.22781420477245 0.04428251504498 0.50000000000000 15.999 > 8 9 O 0.27218579522755 0.54428251504498 0.50000000000000 15.999 > 9 10 O 0.36208038283332 0.30577653726075 0.00000000000000 15.999 > 10 11 O 0.63791961716668 0.69422346273925 0.00000000000000 15.999 > 11 12 O 0.72781420477245 0.45571748495502 0.50000000000000 15.999 > 12 13 O 0.77218579522755 0.95571748495502 0.50000000000000 15.999 > 13 14 O 0.86208038283332 0.19422346273925 0.00000000000000 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.347592659999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.769812690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.969377319999996 Atomic positions (fractional): *1 Ca 0.03360738147323 0.31951545133763 0.12500000000000 40.078 > 1 2 Ca 0.53360738147323 0.31951545133763 0.12500000000000 40.078 > 1 3 Ca 0.03360738147323 0.31951545133763 0.37500000000000 40.078 > 1 4 Ca 0.53360738147323 0.31951545133763 0.37500000000000 40.078 > 1 5 Ca 0.03360738147323 0.31951545133763 0.62500000000000 40.078 > 1 6 Ca 0.53360738147323 0.31951545133763 0.62500000000000 40.078 > 1 7 Ca 0.03360738147323 0.31951545133763 0.87500000000000 40.078 > 1 8 Ca 0.53360738147323 0.31951545133763 0.87500000000000 40.078 > 1 9 Ca 0.21639261852677 0.81951545133763 0.12500000000000 40.078 > 2 10 Ca 0.71639261852677 0.81951545133763 0.12500000000000 40.078 > 2 11 Ca 0.21639261852677 0.81951545133763 0.37500000000000 40.078 > 2 12 Ca 0.71639261852677 0.81951545133763 0.37500000000000 40.078 > 2 13 Ca 0.21639261852677 0.81951545133763 0.62500000000000 40.078 > 2 14 Ca 0.71639261852677 0.81951545133763 0.62500000000000 40.078 > 2 15 Ca 0.21639261852677 0.81951545133763 0.87500000000000 40.078 > 2 16 Ca 0.71639261852677 0.81951545133763 0.87500000000000 40.078 > 2 17 Ca 0.28360738147323 0.18048454866237 0.12500000000000 40.078 > 3 18 Ca 0.78360738147323 0.18048454866237 0.12500000000000 40.078 > 3 19 Ca 0.28360738147323 0.18048454866237 0.37500000000000 40.078 > 3 20 Ca 0.78360738147323 0.18048454866237 0.37500000000000 40.078 > 3 21 Ca 0.28360738147323 0.18048454866237 0.62500000000000 40.078 > 3 22 Ca 0.78360738147323 0.18048454866237 0.62500000000000 40.078 > 3 23 Ca 0.28360738147323 0.18048454866237 0.87500000000000 40.078 > 3 24 Ca 0.78360738147323 0.18048454866237 0.87500000000000 40.078 > 3 25 Ca 0.46639261852677 0.68048454866237 0.12500000000000 40.078 > 4 26 Ca 0.96639261852677 0.68048454866237 0.12500000000000 40.078 > 4 27 Ca 0.46639261852677 0.68048454866237 0.37500000000000 40.078 > 4 28 Ca 0.96639261852677 0.68048454866237 0.37500000000000 40.078 > 4 29 Ca 0.46639261852677 0.68048454866237 0.62500000000000 40.078 > 4 30 Ca 0.96639261852677 0.68048454866237 0.62500000000000 40.078 > 4 31 Ca 0.46639261852677 0.68048454866237 0.87500000000000 40.078 > 4 32 Ca 0.96639261852677 0.68048454866237 0.87500000000000 40.078 > 4 *33 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 5 34 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 5 35 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 5 36 Hf 0.50000000000000 0.00000000000000 0.25000000000000 178.490 > 5 37 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 5 38 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 5 39 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 5 40 Hf 0.50000000000000 0.00000000000000 0.75000000000000 178.490 > 5 41 Hf 0.25000000000000 0.50000000000000 0.00000000000000 178.490 > 6 42 Hf 0.75000000000000 0.50000000000000 0.00000000000000 178.490 > 6 43 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 6 44 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 6 45 Hf 0.25000000000000 0.50000000000000 0.50000000000000 178.490 > 6 46 Hf 0.75000000000000 0.50000000000000 0.50000000000000 178.490 > 6 47 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 6 48 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 6 *49 O 0.06895980858334 0.80577653726075 0.00000000000000 15.999 > 7 50 O 0.56895980858334 0.80577653726075 0.00000000000000 15.999 > 7 51 O 0.06895980858334 0.80577653726075 0.25000000000000 15.999 > 7 52 O 0.56895980858334 0.80577653726075 0.25000000000000 15.999 > 7 53 O 0.06895980858334 0.80577653726075 0.50000000000000 15.999 > 7 54 O 0.56895980858334 0.80577653726075 0.50000000000000 15.999 > 7 55 O 0.06895980858334 0.80577653726075 0.75000000000000 15.999 > 7 56 O 0.56895980858334 0.80577653726075 0.75000000000000 15.999 > 7 *57 O 0.11390710238623 0.04428251504498 0.12500000000000 15.999 > 8 58 O 0.61390710238623 0.04428251504498 0.12500000000000 15.999 > 8 59 O 0.11390710238623 0.04428251504498 0.37500000000000 15.999 > 8 60 O 0.61390710238623 0.04428251504498 0.37500000000000 15.999 > 8 61 O 0.11390710238623 0.04428251504498 0.62500000000000 15.999 > 8 62 O 0.61390710238623 0.04428251504498 0.62500000000000 15.999 > 8 63 O 0.11390710238623 0.04428251504498 0.87500000000000 15.999 > 8 64 O 0.61390710238623 0.04428251504498 0.87500000000000 15.999 > 8 65 O 0.13609289761377 0.54428251504498 0.12500000000000 15.999 > 9 66 O 0.63609289761377 0.54428251504498 0.12500000000000 15.999 > 9 67 O 0.13609289761377 0.54428251504498 0.37500000000000 15.999 > 9 68 O 0.63609289761377 0.54428251504498 0.37500000000000 15.999 > 9 69 O 0.13609289761377 0.54428251504498 0.62500000000000 15.999 > 9 70 O 0.63609289761377 0.54428251504498 0.62500000000000 15.999 > 9 71 O 0.13609289761377 0.54428251504498 0.87500000000000 15.999 > 9 72 O 0.63609289761377 0.54428251504498 0.87500000000000 15.999 > 9 73 O 0.18104019141666 0.30577653726075 0.00000000000000 15.999 > 10 74 O 0.68104019141666 0.30577653726075 0.00000000000000 15.999 > 10 75 O 0.18104019141666 0.30577653726075 0.25000000000000 15.999 > 10 76 O 0.68104019141666 0.30577653726075 0.25000000000000 15.999 > 10 77 O 0.18104019141666 0.30577653726075 0.50000000000000 15.999 > 10 78 O 0.68104019141666 0.30577653726075 0.50000000000000 15.999 > 10 79 O 0.18104019141666 0.30577653726075 0.75000000000000 15.999 > 10 80 O 0.68104019141666 0.30577653726075 0.75000000000000 15.999 > 10 81 O 0.31895980858334 0.69422346273925 0.00000000000000 15.999 > 11 82 O 0.81895980858334 0.69422346273925 0.00000000000000 15.999 > 11 83 O 0.31895980858334 0.69422346273925 0.25000000000000 15.999 > 11 84 O 0.81895980858334 0.69422346273925 0.25000000000000 15.999 > 11 85 O 0.31895980858334 0.69422346273925 0.50000000000000 15.999 > 11 86 O 0.81895980858334 0.69422346273925 0.50000000000000 15.999 > 11 87 O 0.31895980858334 0.69422346273925 0.75000000000000 15.999 > 11 88 O 0.81895980858334 0.69422346273925 0.75000000000000 15.999 > 11 89 O 0.36390710238622 0.45571748495502 0.12500000000000 15.999 > 12 90 O 0.86390710238623 0.45571748495502 0.12500000000000 15.999 > 12 91 O 0.36390710238622 0.45571748495502 0.37500000000000 15.999 > 12 92 O 0.86390710238623 0.45571748495502 0.37500000000000 15.999 > 12 93 O 0.36390710238622 0.45571748495502 0.62500000000000 15.999 > 12 94 O 0.86390710238623 0.45571748495502 0.62500000000000 15.999 > 12 95 O 0.36390710238622 0.45571748495502 0.87500000000000 15.999 > 12 96 O 0.86390710238623 0.45571748495502 0.87500000000000 15.999 > 12 97 O 0.38609289761378 0.95571748495502 0.12500000000000 15.999 > 13 98 O 0.88609289761377 0.95571748495502 0.12500000000000 15.999 > 13 99 O 0.38609289761378 0.95571748495502 0.37500000000000 15.999 > 13 100 O 0.88609289761377 0.95571748495502 0.37500000000000 15.999 > 13 101 O 0.38609289761378 0.95571748495502 0.62500000000000 15.999 > 13 102 O 0.88609289761377 0.95571748495502 0.62500000000000 15.999 > 13 103 O 0.38609289761378 0.95571748495502 0.87500000000000 15.999 > 13 104 O 0.88609289761377 0.95571748495502 0.87500000000000 15.999 > 13 105 O 0.43104019141666 0.19422346273925 0.00000000000000 15.999 > 14 106 O 0.93104019141666 0.19422346273925 0.00000000000000 15.999 > 14 107 O 0.43104019141666 0.19422346273925 0.25000000000000 15.999 > 14 108 O 0.93104019141666 0.19422346273925 0.25000000000000 15.999 > 14 109 O 0.43104019141666 0.19422346273925 0.50000000000000 15.999 > 14 110 O 0.93104019141666 0.19422346273925 0.50000000000000 15.999 > 14 111 O 0.43104019141666 0.19422346273925 0.75000000000000 15.999 > 14 112 O 0.93104019141666 0.19422346273925 0.75000000000000 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9256995 0.0000000 0.0000000 0.0000000 3.9564707 0.0000000 0.0000000 0.0000000 4.2829965 -------------------------- Born effective charges -------------------------- 1 Ca 2.7238773 0.1679555 0.0000000 0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 2 Ca 2.7238773 -0.1679555 0.0000000 -0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 3 Ca 2.7238773 -0.1679555 0.0000000 -0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 4 Ca 2.7238773 0.1679555 0.0000000 0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 5 Hf 3.7105048 -0.3357241 0.0000000 -0.4574630 4.8091748 0.0000000 0.0000000 0.0000000 6.0109840 6 Hf 3.7105048 0.3357241 0.0000000 0.4574630 4.8091748 0.0000000 0.0000000 0.0000000 6.0109840 7 O -2.1580089 0.3047883 0.0000000 0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 8 O -2.4211209 -0.3553163 0.0000000 -0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 9 O -2.4211209 0.3553163 0.0000000 0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 10 O -2.1580089 -0.3047883 0.0000000 -0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 11 O -2.1580089 -0.3047883 0.0000000 -0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 12 O -2.4211209 0.3553163 0.0000000 0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 13 O -2.4211209 -0.3553163 0.0000000 -0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 14 O -2.1580089 0.3047883 0.0000000 0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1007 Number of blocks in projector: 1007 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: 249 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 145 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 145 Use standard eigh solver. Tree of FC basis block matrices: - (1007, 987), data: False |-- (145, 145), data: True |-- (145, 145), data: True |-- (156, 152), data: True |-- (156, 152), data: True |-- (156, 152), data: True |-- (249, 241), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.046 Solver_block: 200 / 240 - Time: 1.054 Solver_block: 240 / 240 - Time: 0.488 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.608 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1007 Number of blocks in projector: 1007 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: 249 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 145 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 145 Use standard eigh solver. Tree of FC basis block matrices: - (1007, 987), data: False |-- (145, 145), data: True |-- (145, 145), data: True |-- (156, 152), data: True |-- (156, 152), data: True |-- (156, 152), data: True |-- (249, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:32:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:32:47]------------------------- 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 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.673796329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.769812690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.242344329999999 Atomic positions (fractional): 1 Ca 0.06721476294646 0.31951545133763 0.50000000000000 40.078 2 Ca 0.43278523705354 0.81951545133763 0.50000000000000 40.078 3 Ca 0.56721476294646 0.18048454866237 0.50000000000000 40.078 4 Ca 0.93278523705354 0.68048454866237 0.50000000000000 40.078 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 7 O 0.13791961716668 0.80577653726075 0.00000000000000 15.999 8 O 0.22781420477245 0.04428251504498 0.50000000000000 15.999 9 O 0.27218579522755 0.54428251504498 0.50000000000000 15.999 10 O 0.36208038283332 0.30577653726075 0.00000000000000 15.999 11 O 0.63791961716668 0.69422346273925 0.00000000000000 15.999 12 O 0.72781420477245 0.45571748495502 0.50000000000000 15.999 13 O 0.77218579522755 0.95571748495502 0.50000000000000 15.999 14 O 0.86208038283332 0.19422346273925 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.347592659999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.769812690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.969377319999996 Atomic positions (fractional): 1 Ca 0.03360738147323 0.31951545133763 0.12500000000000 40.078 > 1 2 Ca 0.53360738147323 0.31951545133763 0.12500000000000 40.078 > 1 3 Ca 0.03360738147323 0.31951545133763 0.37500000000000 40.078 > 1 4 Ca 0.53360738147323 0.31951545133763 0.37500000000000 40.078 > 1 5 Ca 0.03360738147323 0.31951545133763 0.62500000000000 40.078 > 1 6 Ca 0.53360738147323 0.31951545133763 0.62500000000000 40.078 > 1 7 Ca 0.03360738147323 0.31951545133763 0.87500000000000 40.078 > 1 8 Ca 0.53360738147323 0.31951545133763 0.87500000000000 40.078 > 1 9 Ca 0.21639261852677 0.81951545133763 0.12500000000000 40.078 > 9 10 Ca 0.71639261852677 0.81951545133763 0.12500000000000 40.078 > 9 11 Ca 0.21639261852677 0.81951545133763 0.37500000000000 40.078 > 9 12 Ca 0.71639261852677 0.81951545133763 0.37500000000000 40.078 > 9 13 Ca 0.21639261852677 0.81951545133763 0.62500000000000 40.078 > 9 14 Ca 0.71639261852677 0.81951545133763 0.62500000000000 40.078 > 9 15 Ca 0.21639261852677 0.81951545133763 0.87500000000000 40.078 > 9 16 Ca 0.71639261852677 0.81951545133763 0.87500000000000 40.078 > 9 17 Ca 0.28360738147323 0.18048454866237 0.12500000000000 40.078 > 17 18 Ca 0.78360738147323 0.18048454866237 0.12500000000000 40.078 > 17 19 Ca 0.28360738147323 0.18048454866237 0.37500000000000 40.078 > 17 20 Ca 0.78360738147323 0.18048454866237 0.37500000000000 40.078 > 17 21 Ca 0.28360738147323 0.18048454866237 0.62500000000000 40.078 > 17 22 Ca 0.78360738147323 0.18048454866237 0.62500000000000 40.078 > 17 23 Ca 0.28360738147323 0.18048454866237 0.87500000000000 40.078 > 17 24 Ca 0.78360738147323 0.18048454866237 0.87500000000000 40.078 > 17 25 Ca 0.46639261852677 0.68048454866237 0.12500000000000 40.078 > 25 26 Ca 0.96639261852677 0.68048454866237 0.12500000000000 40.078 > 25 27 Ca 0.46639261852677 0.68048454866237 0.37500000000000 40.078 > 25 28 Ca 0.96639261852677 0.68048454866237 0.37500000000000 40.078 > 25 29 Ca 0.46639261852677 0.68048454866237 0.62500000000000 40.078 > 25 30 Ca 0.96639261852677 0.68048454866237 0.62500000000000 40.078 > 25 31 Ca 0.46639261852677 0.68048454866237 0.87500000000000 40.078 > 25 32 Ca 0.96639261852677 0.68048454866237 0.87500000000000 40.078 > 25 33 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 33 34 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 33 35 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 33 36 Hf 0.50000000000000 0.00000000000000 0.25000000000000 178.490 > 33 37 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 33 38 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 33 39 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 33 40 Hf 0.50000000000000 0.00000000000000 0.75000000000000 178.490 > 33 41 Hf 0.25000000000000 0.50000000000000 0.00000000000000 178.490 > 41 42 Hf 0.75000000000000 0.50000000000000 0.00000000000000 178.490 > 41 43 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 41 44 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 41 45 Hf 0.25000000000000 0.50000000000000 0.50000000000000 178.490 > 41 46 Hf 0.75000000000000 0.50000000000000 0.50000000000000 178.490 > 41 47 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 41 48 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 41 49 O 0.06895980858334 0.80577653726075 0.00000000000000 15.999 > 49 50 O 0.56895980858334 0.80577653726075 0.00000000000000 15.999 > 49 51 O 0.06895980858334 0.80577653726075 0.25000000000000 15.999 > 49 52 O 0.56895980858334 0.80577653726075 0.25000000000000 15.999 > 49 53 O 0.06895980858334 0.80577653726075 0.50000000000000 15.999 > 49 54 O 0.56895980858334 0.80577653726075 0.50000000000000 15.999 > 49 55 O 0.06895980858334 0.80577653726075 0.75000000000000 15.999 > 49 56 O 0.56895980858334 0.80577653726075 0.75000000000000 15.999 > 49 57 O 0.11390710238623 0.04428251504498 0.12500000000000 15.999 > 57 58 O 0.61390710238623 0.04428251504498 0.12500000000000 15.999 > 57 59 O 0.11390710238623 0.04428251504498 0.37500000000000 15.999 > 57 60 O 0.61390710238623 0.04428251504498 0.37500000000000 15.999 > 57 61 O 0.11390710238623 0.04428251504498 0.62500000000000 15.999 > 57 62 O 0.61390710238623 0.04428251504498 0.62500000000000 15.999 > 57 63 O 0.11390710238623 0.04428251504498 0.87500000000000 15.999 > 57 64 O 0.61390710238623 0.04428251504498 0.87500000000000 15.999 > 57 65 O 0.13609289761377 0.54428251504498 0.12500000000000 15.999 > 65 66 O 0.63609289761377 0.54428251504498 0.12500000000000 15.999 > 65 67 O 0.13609289761377 0.54428251504498 0.37500000000000 15.999 > 65 68 O 0.63609289761377 0.54428251504498 0.37500000000000 15.999 > 65 69 O 0.13609289761377 0.54428251504498 0.62500000000000 15.999 > 65 70 O 0.63609289761377 0.54428251504498 0.62500000000000 15.999 > 65 71 O 0.13609289761377 0.54428251504498 0.87500000000000 15.999 > 65 72 O 0.63609289761377 0.54428251504498 0.87500000000000 15.999 > 65 73 O 0.18104019141666 0.30577653726075 0.00000000000000 15.999 > 73 74 O 0.68104019141666 0.30577653726075 0.00000000000000 15.999 > 73 75 O 0.18104019141666 0.30577653726075 0.25000000000000 15.999 > 73 76 O 0.68104019141666 0.30577653726075 0.25000000000000 15.999 > 73 77 O 0.18104019141666 0.30577653726075 0.50000000000000 15.999 > 73 78 O 0.68104019141666 0.30577653726075 0.50000000000000 15.999 > 73 79 O 0.18104019141666 0.30577653726075 0.75000000000000 15.999 > 73 80 O 0.68104019141666 0.30577653726075 0.75000000000000 15.999 > 73 81 O 0.31895980858334 0.69422346273925 0.00000000000000 15.999 > 81 82 O 0.81895980858334 0.69422346273925 0.00000000000000 15.999 > 81 83 O 0.31895980858334 0.69422346273925 0.25000000000000 15.999 > 81 84 O 0.81895980858334 0.69422346273925 0.25000000000000 15.999 > 81 85 O 0.31895980858334 0.69422346273925 0.50000000000000 15.999 > 81 86 O 0.81895980858334 0.69422346273925 0.50000000000000 15.999 > 81 87 O 0.31895980858334 0.69422346273925 0.75000000000000 15.999 > 81 88 O 0.81895980858334 0.69422346273925 0.75000000000000 15.999 > 81 89 O 0.36390710238622 0.45571748495502 0.12500000000000 15.999 > 89 90 O 0.86390710238623 0.45571748495502 0.12500000000000 15.999 > 89 91 O 0.36390710238622 0.45571748495502 0.37500000000000 15.999 > 89 92 O 0.86390710238623 0.45571748495502 0.37500000000000 15.999 > 89 93 O 0.36390710238622 0.45571748495502 0.62500000000000 15.999 > 89 94 O 0.86390710238623 0.45571748495502 0.62500000000000 15.999 > 89 95 O 0.36390710238622 0.45571748495502 0.87500000000000 15.999 > 89 96 O 0.86390710238623 0.45571748495502 0.87500000000000 15.999 > 89 97 O 0.38609289761378 0.95571748495502 0.12500000000000 15.999 > 97 98 O 0.88609289761377 0.95571748495502 0.12500000000000 15.999 > 97 99 O 0.38609289761378 0.95571748495502 0.37500000000000 15.999 > 97 100 O 0.88609289761377 0.95571748495502 0.37500000000000 15.999 > 97 101 O 0.38609289761378 0.95571748495502 0.62500000000000 15.999 > 97 102 O 0.88609289761377 0.95571748495502 0.62500000000000 15.999 > 97 103 O 0.38609289761378 0.95571748495502 0.87500000000000 15.999 > 97 104 O 0.88609289761377 0.95571748495502 0.87500000000000 15.999 > 97 105 O 0.43104019141666 0.19422346273925 0.00000000000000 15.999 > 105 106 O 0.93104019141666 0.19422346273925 0.00000000000000 15.999 > 105 107 O 0.43104019141666 0.19422346273925 0.25000000000000 15.999 > 105 108 O 0.93104019141666 0.19422346273925 0.25000000000000 15.999 > 105 109 O 0.43104019141666 0.19422346273925 0.50000000000000 15.999 > 105 110 O 0.93104019141666 0.19422346273925 0.50000000000000 15.999 > 105 111 O 0.43104019141666 0.19422346273925 0.75000000000000 15.999 > 105 112 O 0.93104019141666 0.19422346273925 0.75000000000000 15.999 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9256995 0.0000000 0.0000000 0.0000000 3.9564707 0.0000000 0.0000000 0.0000000 4.2829965 -------------------------- Born effective charges -------------------------- 1 Ca 2.7238773 0.1679555 0.0000000 0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 2 Ca 2.7238773 -0.1679555 0.0000000 -0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 3 Ca 2.7238773 -0.1679555 0.0000000 -0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 4 Ca 2.7238773 0.1679555 0.0000000 0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 5 Hf 3.7105048 -0.3357241 0.0000000 -0.4574630 4.8091748 0.0000000 0.0000000 0.0000000 6.0109840 6 Hf 3.7105048 0.3357241 0.0000000 0.4574630 4.8091748 0.0000000 0.0000000 0.0000000 6.0109840 7 O -2.1580089 0.3047883 0.0000000 0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 8 O -2.4211209 -0.3553163 0.0000000 -0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 9 O -2.4211209 0.3553163 0.0000000 0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 10 O -2.1580089 -0.3047883 0.0000000 -0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 11 O -2.1580089 -0.3047883 0.0000000 -0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 12 O -2.4211209 0.3553163 0.0000000 0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 13 O -2.4211209 -0.3553163 0.0000000 -0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 14 O -2.1580089 0.3047883 0.0000000 0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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: 0.00000011 (xzz) 0.00000011 (xzz) 0.00000011 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xy) -0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:33:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:33:00]------------------------- 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 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.673796329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.769812690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.242344329999999 Atomic positions (fractional): 1 Ca 0.06721476294646 0.31951545133763 0.50000000000000 40.078 2 Ca 0.43278523705354 0.81951545133763 0.50000000000000 40.078 3 Ca 0.56721476294646 0.18048454866237 0.50000000000000 40.078 4 Ca 0.93278523705354 0.68048454866237 0.50000000000000 40.078 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 7 O 0.13791961716668 0.80577653726075 0.00000000000000 15.999 8 O 0.22781420477245 0.04428251504498 0.50000000000000 15.999 9 O 0.27218579522755 0.54428251504498 0.50000000000000 15.999 10 O 0.36208038283332 0.30577653726075 0.00000000000000 15.999 11 O 0.63791961716668 0.69422346273925 0.00000000000000 15.999 12 O 0.72781420477245 0.45571748495502 0.50000000000000 15.999 13 O 0.77218579522755 0.95571748495502 0.50000000000000 15.999 14 O 0.86208038283332 0.19422346273925 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.347592659999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.769812690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.969377319999996 Atomic positions (fractional): 1 Ca 0.03360738147323 0.31951545133763 0.12500000000000 40.078 > 1 2 Ca 0.53360738147323 0.31951545133763 0.12500000000000 40.078 > 1 3 Ca 0.03360738147323 0.31951545133763 0.37500000000000 40.078 > 1 4 Ca 0.53360738147323 0.31951545133763 0.37500000000000 40.078 > 1 5 Ca 0.03360738147323 0.31951545133763 0.62500000000000 40.078 > 1 6 Ca 0.53360738147323 0.31951545133763 0.62500000000000 40.078 > 1 7 Ca 0.03360738147323 0.31951545133763 0.87500000000000 40.078 > 1 8 Ca 0.53360738147323 0.31951545133763 0.87500000000000 40.078 > 1 9 Ca 0.21639261852677 0.81951545133763 0.12500000000000 40.078 > 9 10 Ca 0.71639261852677 0.81951545133763 0.12500000000000 40.078 > 9 11 Ca 0.21639261852677 0.81951545133763 0.37500000000000 40.078 > 9 12 Ca 0.71639261852677 0.81951545133763 0.37500000000000 40.078 > 9 13 Ca 0.21639261852677 0.81951545133763 0.62500000000000 40.078 > 9 14 Ca 0.71639261852677 0.81951545133763 0.62500000000000 40.078 > 9 15 Ca 0.21639261852677 0.81951545133763 0.87500000000000 40.078 > 9 16 Ca 0.71639261852677 0.81951545133763 0.87500000000000 40.078 > 9 17 Ca 0.28360738147323 0.18048454866237 0.12500000000000 40.078 > 17 18 Ca 0.78360738147323 0.18048454866237 0.12500000000000 40.078 > 17 19 Ca 0.28360738147323 0.18048454866237 0.37500000000000 40.078 > 17 20 Ca 0.78360738147323 0.18048454866237 0.37500000000000 40.078 > 17 21 Ca 0.28360738147323 0.18048454866237 0.62500000000000 40.078 > 17 22 Ca 0.78360738147323 0.18048454866237 0.62500000000000 40.078 > 17 23 Ca 0.28360738147323 0.18048454866237 0.87500000000000 40.078 > 17 24 Ca 0.78360738147323 0.18048454866237 0.87500000000000 40.078 > 17 25 Ca 0.46639261852677 0.68048454866237 0.12500000000000 40.078 > 25 26 Ca 0.96639261852677 0.68048454866237 0.12500000000000 40.078 > 25 27 Ca 0.46639261852677 0.68048454866237 0.37500000000000 40.078 > 25 28 Ca 0.96639261852677 0.68048454866237 0.37500000000000 40.078 > 25 29 Ca 0.46639261852677 0.68048454866237 0.62500000000000 40.078 > 25 30 Ca 0.96639261852677 0.68048454866237 0.62500000000000 40.078 > 25 31 Ca 0.46639261852677 0.68048454866237 0.87500000000000 40.078 > 25 32 Ca 0.96639261852677 0.68048454866237 0.87500000000000 40.078 > 25 33 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 33 34 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 33 35 Hf 0.00000000000000 0.00000000000000 0.25000000000000 178.490 > 33 36 Hf 0.50000000000000 0.00000000000000 0.25000000000000 178.490 > 33 37 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 33 38 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 33 39 Hf 0.00000000000000 0.00000000000000 0.75000000000000 178.490 > 33 40 Hf 0.50000000000000 0.00000000000000 0.75000000000000 178.490 > 33 41 Hf 0.25000000000000 0.50000000000000 0.00000000000000 178.490 > 41 42 Hf 0.75000000000000 0.50000000000000 0.00000000000000 178.490 > 41 43 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 41 44 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 41 45 Hf 0.25000000000000 0.50000000000000 0.50000000000000 178.490 > 41 46 Hf 0.75000000000000 0.50000000000000 0.50000000000000 178.490 > 41 47 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 41 48 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 41 49 O 0.06895980858334 0.80577653726075 0.00000000000000 15.999 > 49 50 O 0.56895980858334 0.80577653726075 0.00000000000000 15.999 > 49 51 O 0.06895980858334 0.80577653726075 0.25000000000000 15.999 > 49 52 O 0.56895980858334 0.80577653726075 0.25000000000000 15.999 > 49 53 O 0.06895980858334 0.80577653726075 0.50000000000000 15.999 > 49 54 O 0.56895980858334 0.80577653726075 0.50000000000000 15.999 > 49 55 O 0.06895980858334 0.80577653726075 0.75000000000000 15.999 > 49 56 O 0.56895980858334 0.80577653726075 0.75000000000000 15.999 > 49 57 O 0.11390710238623 0.04428251504498 0.12500000000000 15.999 > 57 58 O 0.61390710238623 0.04428251504498 0.12500000000000 15.999 > 57 59 O 0.11390710238623 0.04428251504498 0.37500000000000 15.999 > 57 60 O 0.61390710238623 0.04428251504498 0.37500000000000 15.999 > 57 61 O 0.11390710238623 0.04428251504498 0.62500000000000 15.999 > 57 62 O 0.61390710238623 0.04428251504498 0.62500000000000 15.999 > 57 63 O 0.11390710238623 0.04428251504498 0.87500000000000 15.999 > 57 64 O 0.61390710238623 0.04428251504498 0.87500000000000 15.999 > 57 65 O 0.13609289761377 0.54428251504498 0.12500000000000 15.999 > 65 66 O 0.63609289761377 0.54428251504498 0.12500000000000 15.999 > 65 67 O 0.13609289761377 0.54428251504498 0.37500000000000 15.999 > 65 68 O 0.63609289761377 0.54428251504498 0.37500000000000 15.999 > 65 69 O 0.13609289761377 0.54428251504498 0.62500000000000 15.999 > 65 70 O 0.63609289761377 0.54428251504498 0.62500000000000 15.999 > 65 71 O 0.13609289761377 0.54428251504498 0.87500000000000 15.999 > 65 72 O 0.63609289761377 0.54428251504498 0.87500000000000 15.999 > 65 73 O 0.18104019141666 0.30577653726075 0.00000000000000 15.999 > 73 74 O 0.68104019141666 0.30577653726075 0.00000000000000 15.999 > 73 75 O 0.18104019141666 0.30577653726075 0.25000000000000 15.999 > 73 76 O 0.68104019141666 0.30577653726075 0.25000000000000 15.999 > 73 77 O 0.18104019141666 0.30577653726075 0.50000000000000 15.999 > 73 78 O 0.68104019141666 0.30577653726075 0.50000000000000 15.999 > 73 79 O 0.18104019141666 0.30577653726075 0.75000000000000 15.999 > 73 80 O 0.68104019141666 0.30577653726075 0.75000000000000 15.999 > 73 81 O 0.31895980858334 0.69422346273925 0.00000000000000 15.999 > 81 82 O 0.81895980858334 0.69422346273925 0.00000000000000 15.999 > 81 83 O 0.31895980858334 0.69422346273925 0.25000000000000 15.999 > 81 84 O 0.81895980858334 0.69422346273925 0.25000000000000 15.999 > 81 85 O 0.31895980858334 0.69422346273925 0.50000000000000 15.999 > 81 86 O 0.81895980858334 0.69422346273925 0.50000000000000 15.999 > 81 87 O 0.31895980858334 0.69422346273925 0.75000000000000 15.999 > 81 88 O 0.81895980858334 0.69422346273925 0.75000000000000 15.999 > 81 89 O 0.36390710238622 0.45571748495502 0.12500000000000 15.999 > 89 90 O 0.86390710238623 0.45571748495502 0.12500000000000 15.999 > 89 91 O 0.36390710238622 0.45571748495502 0.37500000000000 15.999 > 89 92 O 0.86390710238623 0.45571748495502 0.37500000000000 15.999 > 89 93 O 0.36390710238622 0.45571748495502 0.62500000000000 15.999 > 89 94 O 0.86390710238623 0.45571748495502 0.62500000000000 15.999 > 89 95 O 0.36390710238622 0.45571748495502 0.87500000000000 15.999 > 89 96 O 0.86390710238623 0.45571748495502 0.87500000000000 15.999 > 89 97 O 0.38609289761378 0.95571748495502 0.12500000000000 15.999 > 97 98 O 0.88609289761377 0.95571748495502 0.12500000000000 15.999 > 97 99 O 0.38609289761378 0.95571748495502 0.37500000000000 15.999 > 97 100 O 0.88609289761377 0.95571748495502 0.37500000000000 15.999 > 97 101 O 0.38609289761378 0.95571748495502 0.62500000000000 15.999 > 97 102 O 0.88609289761377 0.95571748495502 0.62500000000000 15.999 > 97 103 O 0.38609289761378 0.95571748495502 0.87500000000000 15.999 > 97 104 O 0.88609289761377 0.95571748495502 0.87500000000000 15.999 > 97 105 O 0.43104019141666 0.19422346273925 0.00000000000000 15.999 > 105 106 O 0.93104019141666 0.19422346273925 0.00000000000000 15.999 > 105 107 O 0.43104019141666 0.19422346273925 0.25000000000000 15.999 > 105 108 O 0.93104019141666 0.19422346273925 0.25000000000000 15.999 > 105 109 O 0.43104019141666 0.19422346273925 0.50000000000000 15.999 > 105 110 O 0.93104019141666 0.19422346273925 0.50000000000000 15.999 > 105 111 O 0.43104019141666 0.19422346273925 0.75000000000000 15.999 > 105 112 O 0.93104019141666 0.19422346273925 0.75000000000000 15.999 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9256995 0.0000000 0.0000000 0.0000000 3.9564707 0.0000000 0.0000000 0.0000000 4.2829965 -------------------------- Born effective charges -------------------------- 1 Ca 2.7238773 0.1679555 0.0000000 0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 2 Ca 2.7238773 -0.1679555 0.0000000 -0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 3 Ca 2.7238773 -0.1679555 0.0000000 -0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 4 Ca 2.7238773 0.1679555 0.0000000 0.3728590 2.2888863 0.0000000 0.0000000 0.0000000 2.2026705 5 Hf 3.7105048 -0.3357241 0.0000000 -0.4574630 4.8091748 0.0000000 0.0000000 0.0000000 6.0109840 6 Hf 3.7105048 0.3357241 0.0000000 0.4574630 4.8091748 0.0000000 0.0000000 0.0000000 6.0109840 7 O -2.1580089 0.3047883 0.0000000 0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 8 O -2.4211209 -0.3553163 0.0000000 -0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 9 O -2.4211209 0.3553163 0.0000000 0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 10 O -2.1580089 -0.3047883 0.0000000 -0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 11 O -2.1580089 -0.3047883 0.0000000 -0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 12 O -2.4211209 0.3553163 0.0000000 0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 13 O -2.4211209 -0.3553163 0.0000000 -0.2944386 -1.8942844 0.0000000 0.0000000 0.0000000 -3.0498145 14 O -2.1580089 0.3047883 0.0000000 0.4291283 -2.7991894 0.0000000 0.0000000 0.0000000 -2.1583480 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000011 (xzz) 0.00000011 (xzz) 0.00000011 (xzz) 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 ... [ 9 5 15 ] 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: 0.74, Number of G-points: 303, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 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 2.322 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.385 ( 0.000 0.000 0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.889 ( 0.000 0.000 0.000) 0.000 9.483 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.464 ( 0.000 0.000 0.000) 0.000 10.726 ( 0.000 0.000 0.000) 0.000 10.925 ( 0.000 0.000 0.000) 0.000 11.060 ( 0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.321 ( 0.000 0.000 0.000) 0.000 11.475 ( 0.000 0.000 0.000) 0.000 11.753 ( 0.000 0.000 0.000) 0.000 12.710 ( 0.000 0.000 0.000) 0.000 12.898 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 0.000) 0.000 13.710 ( 0.000 0.000 0.000) 0.000 14.347 ( 0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 15.373 ( 0.000 0.000 0.000) 0.000 17.037 ( 0.000 0.000 0.000) 0.000 17.329 ( 0.000 0.000 0.000) 0.000 19.068 ( 0.000 0.000 0.000) 0.000 19.682 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 28.294 0.000 0.000) 28.294 0.725 ( 36.471 0.000 0.000) 36.471 1.267 ( 62.701 0.000 0.000) 62.701 2.313 ( -0.898 0.000 0.000) 0.898 2.714 ( 4.267 0.000 0.000) 4.267 3.471 ( -11.310 0.000 0.000) 11.310 3.886 ( 3.541 0.000 0.000) 3.541 4.051 ( -17.667 0.000 0.000) 17.667 4.386 ( 4.037 0.000 0.000) 4.037 5.198 ( 30.611 0.000 0.000) 30.611 5.485 ( -5.297 0.000 0.000) 5.297 5.579 ( -2.930 0.000 0.000) 2.930 5.979 ( -15.593 0.000 0.000) 15.593 5.993 ( -10.425 0.000 0.000) 10.425 6.748 ( -14.620 0.000 0.000) 14.620 7.363 ( 20.107 0.000 0.000) 20.107 8.164 ( 5.987 0.000 0.000) 5.987 8.308 ( -5.695 0.000 0.000) 5.695 8.423 ( 0.341 0.000 0.000) 0.341 8.559 ( -5.467 0.000 0.000) 5.467 8.842 ( -4.651 0.000 0.000) 4.651 10.026 ( -6.539 0.000 0.000) 6.539 10.155 ( 16.976 0.000 0.000) 16.976 10.758 ( 3.022 0.000 0.000) 3.022 10.960 ( 3.423 0.000 0.000) 3.423 10.962 ( -10.050 0.000 0.000) 10.050 11.254 ( -5.129 0.000 0.000) 5.129 11.308 ( -1.364 0.000 0.000) 1.364 11.469 ( -0.644 0.000 0.000) 0.644 11.874 ( 12.443 0.000 0.000) 12.443 12.032 ( 4.253 0.000 0.000) 4.253 12.912 ( 1.374 0.000 0.000) 1.374 12.982 ( 0.668 0.000 0.000) 0.668 13.607 ( -10.274 0.000 0.000) 10.274 14.107 ( -17.877 0.000 0.000) 17.877 15.229 ( 22.140 0.000 0.000) 22.140 15.241 ( -12.658 0.000 0.000) 12.658 17.068 ( 3.141 0.000 0.000) 3.141 17.357 ( 2.272 0.000 0.000) 2.272 18.343 ( -8.655 0.000 0.000) 8.655 19.124 ( 4.985 0.000 0.000) 4.985 19.665 ( -1.656 0.000 0.000) 1.656 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 25.223 0.000 0.000) 25.223 1.414 ( 33.289 0.000 0.000) 33.289 2.284 ( -2.276 0.000 0.000) 2.276 2.381 ( 47.102 0.000 0.000) 47.102 2.800 ( 3.994 0.000 0.000) 3.994 3.271 ( -7.882 0.000 0.000) 7.882 3.783 ( -5.968 0.000 0.000) 5.968 3.995 ( 7.654 0.000 0.000) 7.654 4.501 ( 7.499 0.000 0.000) 7.499 5.337 ( -9.759 0.000 0.000) 9.759 5.467 ( -12.135 0.000 0.000) 12.135 5.484 ( -6.812 0.000 0.000) 6.812 5.741 ( -14.509 0.000 0.000) 14.509 6.018 ( 28.740 0.000 0.000) 28.740 6.377 ( -21.982 0.000 0.000) 21.982 7.740 ( 15.181 0.000 0.000) 15.181 8.232 ( -0.609 0.000 0.000) 0.609 8.274 ( 5.289 0.000 0.000) 5.289 8.433 ( -6.552 0.000 0.000) 6.552 8.461 ( 3.347 0.000 0.000) 3.347 8.717 ( -7.757 0.000 0.000) 7.757 9.821 ( -14.214 0.000 0.000) 14.214 10.505 ( 13.978 0.000 0.000) 13.978 10.692 ( -16.161 0.000 0.000) 16.161 10.834 ( 4.467 0.000 0.000) 4.467 11.051 ( 5.593 0.000 0.000) 5.593 11.163 ( -0.609 0.000 0.000) 0.609 11.269 ( -2.654 0.000 0.000) 2.654 11.449 ( -1.408 0.000 0.000) 1.408 12.151 ( 7.750 0.000 0.000) 7.750 12.205 ( 19.268 0.000 0.000) 19.268 12.947 ( 2.059 0.000 0.000) 2.059 12.999 ( 0.991 0.000 0.000) 0.991 13.332 ( -16.730 0.000 0.000) 16.730 13.767 ( -15.692 0.000 0.000) 15.692 14.923 ( -18.759 0.000 0.000) 18.759 15.699 ( 24.877 0.000 0.000) 24.877 17.155 ( 5.621 0.000 0.000) 5.621 17.377 ( -1.202 0.000 0.000) 1.202 18.131 ( -12.354 0.000 0.000) 12.354 19.233 ( 5.670 0.000 0.000) 5.670 19.622 ( -2.667 0.000 0.000) 2.667 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 20.095 0.000 0.000) 20.095 1.997 ( 25.091 0.000 0.000) 25.091 2.218 ( -4.641 0.000 0.000) 4.641 2.834 ( -3.266 0.000 0.000) 3.266 2.883 ( 5.751 0.000 0.000) 5.751 3.198 ( 2.712 0.000 0.000) 2.712 4.050 ( 31.395 0.000 0.000) 31.395 4.190 ( 12.286 0.000 0.000) 12.286 4.674 ( 9.974 0.000 0.000) 9.974 5.103 ( -14.042 0.000 0.000) 14.042 5.184 ( -11.821 0.000 0.000) 11.821 5.317 ( -9.913 0.000 0.000) 9.913 5.427 ( -17.922 0.000 0.000) 17.922 5.935 ( -22.117 0.000 0.000) 22.117 6.666 ( 34.043 0.000 0.000) 34.043 7.925 ( 6.240 0.000 0.000) 6.240 8.147 ( -7.985 0.000 0.000) 7.985 8.332 ( -3.136 0.000 0.000) 3.136 8.464 ( -5.666 0.000 0.000) 5.666 8.546 ( 19.727 0.000 0.000) 19.727 8.555 ( -8.392 0.000 0.000) 8.392 9.519 ( -14.476 0.000 0.000) 14.476 10.381 ( -14.281 0.000 0.000) 14.281 10.528 ( -9.474 0.000 0.000) 9.474 10.928 ( 5.019 0.000 0.000) 5.019 11.166 ( 5.823 0.000 0.000) 5.823 11.205 ( -3.775 0.000 0.000) 3.775 11.385 ( 21.184 0.000 0.000) 21.184 11.412 ( -2.381 0.000 0.000) 2.381 12.330 ( 10.421 0.000 0.000) 10.421 12.491 ( 4.414 0.000 0.000) 4.414 12.987 ( 1.847 0.000 0.000) 1.847 13.012 ( -13.806 0.000 0.000) 13.806 13.017 ( 0.762 0.000 0.000) 0.762 13.556 ( -2.874 0.000 0.000) 2.874 14.533 ( -20.650 0.000 0.000) 20.650 16.186 ( 24.538 0.000 0.000) 24.538 17.284 ( -3.545 0.000 0.000) 3.545 17.284 ( 2.373 0.000 0.000) 2.373 17.879 ( -12.866 0.000 0.000) 12.866 19.337 ( 4.926 0.000 0.000) 4.926 19.564 ( -3.125 0.000 0.000) 3.125 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 13.943 0.000 0.000) 13.943 2.092 ( -8.486 0.000 0.000) 8.486 2.369 ( 13.832 0.000 0.000) 13.832 2.618 ( -12.962 0.000 0.000) 12.962 3.063 ( 11.615 0.000 0.000) 11.615 3.230 ( -3.070 0.000 0.000) 3.070 4.470 ( 16.019 0.000 0.000) 16.019 4.652 ( 24.131 0.000 0.000) 24.131 4.797 ( -16.753 0.000 0.000) 16.753 4.884 ( 11.270 0.000 0.000) 11.270 5.047 ( -19.770 0.000 0.000) 19.770 5.107 ( -11.319 0.000 0.000) 11.319 5.147 ( 11.219 0.000 0.000) 11.219 5.516 ( -21.302 0.000 0.000) 21.302 7.318 ( 32.037 0.000 0.000) 32.037 7.871 ( -22.040 0.000 0.000) 22.040 8.058 ( 8.005 0.000 0.000) 8.005 8.253 ( -12.183 0.000 0.000) 12.183 8.321 ( 2.049 0.000 0.000) 2.049 8.406 ( -6.347 0.000 0.000) 6.347 8.948 ( 19.762 0.000 0.000) 19.762 9.273 ( -12.953 0.000 0.000) 12.953 10.202 ( -2.185 0.000 0.000) 2.185 10.302 ( -10.676 0.000 0.000) 10.676 11.027 ( 5.056 0.000 0.000) 5.056 11.122 ( -4.615 0.000 0.000) 4.615 11.272 ( 4.868 0.000 0.000) 4.868 11.354 ( -3.579 0.000 0.000) 3.579 11.849 ( 24.366 0.000 0.000) 24.366 12.295 ( -19.792 0.000 0.000) 19.792 12.552 ( 12.082 0.000 0.000) 12.082 12.789 ( -11.470 0.000 0.000) 11.470 13.016 ( 1.004 0.000 0.000) 1.004 13.025 ( 0.009 0.000 0.000) 0.009 13.724 ( 17.548 0.000 0.000) 17.548 14.121 ( -21.301 0.000 0.000) 21.301 16.647 ( 22.169 0.000 0.000) 22.169 17.034 ( -16.753 0.000 0.000) 16.753 17.446 ( 9.086 0.000 0.000) 9.086 17.642 ( -11.066 0.000 0.000) 11.066 19.426 ( 4.102 0.000 0.000) 4.102 19.500 ( -3.505 0.000 0.000) 3.505 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 35.339 0.000) 35.339 0.774 ( 0.000 36.192 0.000) 36.192 1.105 ( 0.000 52.475 0.000) 52.475 2.232 ( 0.000 -8.936 0.000) 8.936 2.571 ( 0.000 -20.023 0.000) 20.023 3.455 ( 0.000 -13.076 0.000) 13.076 3.884 ( 0.000 3.121 0.000) 3.121 4.281 ( 0.000 -5.937 0.000) 5.937 4.604 ( 0.000 22.204 0.000) 22.204 4.719 ( 0.000 3.955 0.000) 3.955 5.546 ( 0.000 0.659 0.000) 0.659 5.600 ( 0.000 -0.506 0.000) 0.506 5.846 ( 0.000 -23.344 0.000) 23.344 6.408 ( 0.000 -28.614 0.000) 28.614 6.904 ( 0.000 19.326 0.000) 19.326 7.306 ( 0.000 12.818 0.000) 12.818 8.353 ( 0.000 -2.867 0.000) 2.867 8.362 ( 0.000 -5.079 0.000) 5.079 8.644 ( 0.000 2.510 0.000) 2.510 8.863 ( 0.000 -2.440 0.000) 2.440 9.649 ( 0.000 14.408 0.000) 14.408 9.680 ( 0.000 2.021 0.000) 2.021 10.005 ( 0.000 -4.683 0.000) 4.683 10.617 ( 0.000 11.954 0.000) 11.954 10.746 ( 0.000 1.820 0.000) 1.820 10.906 ( 0.000 -1.833 0.000) 1.833 11.104 ( 0.000 -16.910 0.000) 16.910 11.258 ( 0.000 -4.965 0.000) 4.965 11.340 ( 0.000 1.672 0.000) 1.672 11.463 ( 0.000 -1.157 0.000) 1.157 12.792 ( 0.000 7.873 0.000) 7.873 12.905 ( 0.000 0.658 0.000) 0.658 12.967 ( 0.000 -0.726 0.000) 0.726 13.656 ( 0.000 -10.913 0.000) 10.913 13.804 ( 0.000 6.081 0.000) 6.081 14.306 ( 0.000 -4.002 0.000) 4.002 15.529 ( 0.000 13.866 0.000) 13.866 16.724 ( 0.000 -20.310 0.000) 20.310 17.629 ( 0.000 19.096 0.000) 19.096 18.746 ( 0.000 -16.052 0.000) 16.052 19.301 ( 0.000 10.546 0.000) 10.546 19.663 ( 0.000 -1.906 0.000) 1.906 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 15.018 27.910 0.000) 31.694 0.956 ( 22.298 22.279 0.000) 31.521 1.691 ( 45.943 33.275 0.000) 56.727 2.229 ( -0.338 -8.356 0.000) 8.363 2.585 ( 2.125 -17.515 0.000) 17.644 3.388 ( -5.400 -6.171 0.000) 8.200 3.919 ( 3.655 3.232 0.000) 4.879 4.174 ( -20.655 14.833 0.000) 25.430 4.322 ( 4.074 -5.916 0.000) 7.183 5.206 ( 26.439 3.330 0.000) 26.648 5.495 ( -4.994 0.966 0.000) 5.086 5.571 ( -3.137 -0.748 0.000) 3.225 5.605 ( -16.014 -22.002 0.000) 27.213 6.363 ( -16.921 -8.578 0.000) 18.971 6.849 ( 0.643 16.049 0.000) 16.061 7.263 ( 1.757 6.119 0.000) 6.366 8.232 ( -8.711 -2.985 0.000) 9.208 8.332 ( 0.469 -5.686 0.000) 5.706 8.587 ( -5.393 2.614 0.000) 5.993 8.815 ( -4.729 -2.537 0.000) 5.366 8.938 ( -14.443 40.578 0.000) 43.072 9.943 ( 4.602 -3.079 0.000) 5.537 10.285 ( 7.024 5.916 0.000) 9.183 10.777 ( 2.988 1.780 0.000) 3.478 10.811 ( 0.374 -11.335 0.000) 11.341 10.939 ( 3.253 -1.947 0.000) 3.792 11.139 ( -1.937 -9.169 0.000) 9.372 11.328 ( -1.181 1.812 0.000) 2.163 11.384 ( 20.077 -16.944 0.000) 26.271 11.457 ( -0.661 -1.176 0.000) 1.349 12.552 ( -7.065 22.310 0.000) 23.402 12.919 ( 1.310 0.595 0.000) 1.439 12.975 ( 0.738 -0.658 0.000) 0.989 13.670 ( -12.430 1.088 0.000) 12.478 13.881 ( -1.012 -13.193 0.000) 13.232 14.594 ( 19.670 -24.847 0.000) 31.690 15.532 ( 3.314 15.586 0.000) 15.934 16.746 ( 3.287 -20.540 0.000) 20.801 17.631 ( -0.091 17.969 0.000) 17.970 18.512 ( -17.236 -1.493 0.000) 17.301 19.256 ( 0.036 10.809 0.000) 10.809 19.652 ( -1.504 -1.749 0.000) 2.306 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 18.638 16.353 0.000) 24.795 1.474 ( 28.070 7.825 0.000) 29.140 2.215 ( -1.290 -6.782 0.000) 6.903 2.588 ( 37.594 13.277 0.000) 39.870 2.662 ( 7.872 -11.169 0.000) 13.665 3.298 ( -3.343 3.162 0.000) 4.602 3.854 ( -9.916 9.896 0.000) 14.009 4.030 ( 7.768 3.459 0.000) 8.503 4.437 ( 7.578 -5.798 0.000) 9.542 5.203 ( -18.029 -21.574 0.000) 28.116 5.356 ( -9.238 1.646 0.000) 9.384 5.472 ( -6.974 -1.105 0.000) 7.061 5.759 ( 17.373 -6.133 0.000) 18.424 5.991 ( -14.220 5.216 0.000) 15.147 6.722 ( -7.272 22.577 0.000) 23.719 7.519 ( 18.502 -9.874 0.000) 20.971 8.101 ( -3.735 -4.615 0.000) 5.937 8.384 ( 2.529 -7.079 0.000) 7.517 8.460 ( -6.723 2.583 0.000) 7.202 8.690 ( -7.684 -2.580 0.000) 8.106 8.820 ( -2.275 33.252 0.000) 33.329 9.855 ( -12.092 2.714 0.000) 12.393 10.392 ( -1.371 -7.670 0.000) 7.792 10.681 ( -8.733 -6.486 0.000) 10.878 10.852 ( 4.442 1.743 0.000) 4.772 11.024 ( 5.067 -2.405 0.000) 5.609 11.152 ( 8.182 2.205 0.000) 8.474 11.295 ( -2.140 2.270 0.000) 3.120 11.437 ( -1.419 -1.211 0.000) 1.865 11.813 ( 20.941 -16.259 0.000) 26.512 12.566 ( 6.008 18.841 0.000) 19.775 12.952 ( 1.966 0.442 0.000) 2.015 12.994 ( 1.100 -0.486 0.000) 1.203 13.369 ( -17.170 1.038 0.000) 17.201 13.728 ( -10.980 -1.049 0.000) 11.030 14.673 ( -9.472 -21.583 0.000) 23.570 15.780 ( 20.571 9.649 0.000) 22.721 16.861 ( 7.922 -19.613 0.000) 21.153 17.603 ( -3.438 14.701 0.000) 15.098 18.195 ( -15.279 1.783 0.000) 15.383 19.299 ( 3.403 5.849 0.000) 6.767 19.609 ( -2.632 -1.513 0.000) 3.036 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 16.110 8.074 0.000) 18.020 1.998 ( 24.310 1.834 0.000) 24.379 2.172 ( -3.321 -4.507 0.000) 5.598 2.763 ( 3.598 -9.645 0.000) 10.294 3.009 ( 2.599 12.332 0.000) 12.603 3.259 ( -0.176 5.645 0.000) 5.647 3.972 ( 20.635 -3.590 0.000) 20.945 4.225 ( 12.117 3.432 0.000) 12.593 4.610 ( 9.674 -5.647 0.000) 11.202 4.851 ( -16.878 -24.310 0.000) 29.594 5.137 ( -12.787 2.861 0.000) 13.103 5.303 ( -10.029 -1.371 0.000) 10.122 5.641 ( -10.883 12.840 0.000) 16.831 5.966 ( -5.904 1.018 0.000) 5.991 6.872 ( 23.045 17.941 0.000) 29.206 7.834 ( 11.616 -4.971 0.000) 12.635 8.100 ( 2.762 -6.398 0.000) 6.969 8.352 ( -3.738 1.889 0.000) 4.188 8.387 ( -2.896 -7.050 0.000) 7.622 8.532 ( -7.975 -2.133 0.000) 8.255 8.751 ( -4.760 17.855 0.000) 18.479 9.566 ( -15.909 2.968 0.000) 16.184 10.225 ( -9.858 -9.919 0.000) 13.985 10.507 ( -9.964 -5.251 0.000) 11.263 10.945 ( 4.886 1.623 0.000) 5.149 11.117 ( 3.575 -3.105 0.000) 4.735 11.253 ( -1.493 2.984 0.000) 3.336 11.400 ( -2.327 -1.183 0.000) 2.611 11.479 ( 22.162 8.715 0.000) 23.814 12.178 ( 16.007 -10.197 0.000) 18.979 12.665 ( -0.454 11.899 0.000) 11.908 12.990 ( 1.753 0.263 0.000) 1.773 13.014 ( 0.875 -0.277 0.000) 0.918 13.045 ( -14.319 2.226 0.000) 14.492 13.559 ( -2.942 1.427 0.000) 3.270 14.386 ( -17.558 -13.897 0.000) 22.392 16.230 ( 23.916 5.283 0.000) 24.493 17.028 ( 7.916 -14.767 0.000) 16.755 17.487 ( -7.703 10.507 0.000) 13.028 17.903 ( -14.543 0.651 0.000) 14.557 19.371 ( 3.662 2.965 0.000) 4.712 19.555 ( -2.829 -1.065 0.000) 3.023 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 11.339 2.377 0.000) 11.585 2.076 ( -6.708 -1.584 0.000) 6.893 2.395 ( 16.245 2.579 0.000) 16.448 2.664 ( -11.584 2.456 0.000) 11.842 3.104 ( 8.913 4.926 0.000) 10.183 3.245 ( -3.424 2.629 0.000) 4.317 4.331 ( 13.094 -21.829 0.000) 25.455 4.496 ( 14.999 2.423 0.000) 15.193 4.565 ( -12.548 -27.316 0.000) 30.060 4.745 ( -3.596 -3.934 0.000) 5.330 4.927 ( -0.765 3.084 0.000) 3.177 5.092 ( -11.107 -1.414 0.000) 11.196 5.578 ( 5.544 21.674 0.000) 22.372 5.774 ( -11.588 15.893 0.000) 19.669 7.427 ( 30.242 10.428 0.000) 31.990 7.909 ( -10.515 3.449 0.000) 11.067 8.105 ( -0.368 2.972 0.000) 2.994 8.210 ( -10.343 -3.632 0.000) 10.962 8.326 ( 1.200 0.513 0.000) 1.305 8.395 ( -5.596 -1.020 0.000) 5.689 8.840 ( 15.636 -8.079 0.000) 17.600 9.219 ( -19.970 -6.421 0.000) 20.977 10.155 ( 3.300 -2.035 0.000) 3.877 10.302 ( -10.124 -1.295 0.000) 10.206 11.039 ( 4.641 1.132 0.000) 4.777 11.118 ( -3.010 -0.465 0.000) 3.046 11.276 ( 3.371 0.481 0.000) 3.405 11.345 ( -3.291 -0.886 0.000) 3.409 11.936 ( 23.275 7.824 0.000) 24.555 12.324 ( -10.853 1.319 0.000) 10.932 12.585 ( 5.636 3.865 0.000) 6.834 12.805 ( -12.182 1.184 0.000) 12.239 13.017 ( 0.913 0.092 0.000) 0.918 13.024 ( 0.108 -0.082 0.000) 0.136 13.688 ( 14.420 -2.724 0.000) 14.675 14.026 ( -18.584 -8.702 0.000) 20.520 16.684 ( 21.743 3.790 0.000) 22.071 17.034 ( -11.232 -1.187 0.000) 11.294 17.429 ( 5.751 -0.214 0.000) 5.755 17.632 ( -12.835 -1.450 0.000) 12.917 19.439 ( 3.271 1.141 0.000) 3.464 19.499 ( -2.934 -0.165 0.000) 2.939 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.000 31.771 0.000) 31.771 1.450 ( 0.000 29.155 0.000) 29.155 1.947 ( 0.000 -19.101 0.000) 19.101 1.981 ( 0.000 -3.911 0.000) 3.911 2.214 ( 0.000 22.472 0.000) 22.472 2.978 ( 0.000 -33.050 0.000) 33.050 3.980 ( 0.000 6.237 0.000) 6.237 4.131 ( 0.000 -8.008 0.000) 8.008 4.933 ( 0.000 16.722 0.000) 16.722 5.152 ( 0.000 29.503 0.000) 29.503 5.358 ( 0.000 -22.952 0.000) 22.952 5.564 ( 0.000 1.020 0.000) 1.020 5.585 ( 0.000 -0.933 0.000) 0.933 5.788 ( 0.000 -31.298 0.000) 31.298 7.263 ( 0.000 14.357 0.000) 14.357 7.434 ( 0.000 -1.158 0.000) 1.158 8.271 ( 0.000 -2.324 0.000) 2.324 8.286 ( 0.000 -2.984 0.000) 2.984 8.712 ( 0.000 3.975 0.000) 3.975 8.796 ( 0.000 -3.934 0.000) 3.934 9.737 ( 0.000 3.440 0.000) 3.440 9.809 ( 0.000 -2.495 0.000) 2.495 10.155 ( 0.000 21.974 0.000) 21.974 10.660 ( 0.000 -24.853 0.000) 24.853 10.796 ( 0.000 2.870 0.000) 2.870 10.856 ( 0.000 -2.861 0.000) 2.861 10.878 ( 0.000 12.601 0.000) 12.601 11.108 ( 0.000 -9.521 0.000) 9.521 11.383 ( 0.000 2.358 0.000) 2.358 11.430 ( 0.000 -2.060 0.000) 2.060 12.924 ( 0.000 1.100 0.000) 1.100 12.947 ( 0.000 -1.143 0.000) 1.143 13.021 ( 0.000 14.060 0.000) 14.060 13.344 ( 0.000 -16.760 0.000) 16.760 13.996 ( 0.000 10.217 0.000) 10.217 14.185 ( 0.000 -7.805 0.000) 7.805 15.881 ( 0.000 19.419 0.000) 19.419 16.298 ( 0.000 -20.924 0.000) 20.924 18.021 ( 0.000 18.935 0.000) 18.935 18.399 ( 0.000 -17.808 0.000) 17.808 19.483 ( 0.000 7.272 0.000) 7.272 19.601 ( 0.000 -4.286 0.000) 4.286 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 8.416 28.638 0.000) 29.849 1.512 ( 6.012 26.065 0.000) 26.750 1.964 ( 1.669 -17.625 0.000) 17.704 2.065 ( 5.763 -23.521 0.000) 24.217 2.469 ( 24.938 32.613 0.000) 41.055 3.091 ( 10.127 -23.992 0.000) 26.042 4.018 ( 3.914 6.378 0.000) 7.483 4.171 ( 4.089 -8.058 0.000) 9.036 4.583 ( -22.058 23.375 0.000) 32.140 5.089 ( -19.764 -24.921 0.000) 31.807 5.444 ( 16.711 17.833 0.000) 24.440 5.521 ( -4.335 1.420 0.000) 4.561 5.550 ( -3.658 -1.298 0.000) 3.882 5.915 ( 5.767 -25.831 0.000) 26.467 7.222 ( -3.406 15.176 0.000) 15.554 7.385 ( -4.453 0.480 0.000) 4.478 8.167 ( -7.951 -1.704 0.000) 8.131 8.207 ( -3.249 -5.141 0.000) 6.082 8.658 ( -5.191 4.142 0.000) 6.641 8.745 ( -4.936 -4.096 0.000) 6.414 9.608 ( -7.065 24.089 0.000) 25.103 9.891 ( 4.535 -4.843 0.000) 6.634 10.348 ( 7.291 3.909 0.000) 8.273 10.563 ( -7.626 -14.379 0.000) 16.276 10.826 ( 2.947 2.851 0.000) 4.101 10.887 ( 3.020 -2.923 0.000) 4.203 11.028 ( 10.892 1.714 0.000) 11.026 11.150 ( 9.730 -8.390 0.000) 12.848 11.374 ( -0.897 2.476 0.000) 2.633 11.422 ( -0.729 -2.117 0.000) 2.238 12.935 ( 1.139 0.996 0.000) 1.513 12.957 ( 0.920 -1.035 0.000) 1.385 12.963 ( -2.878 19.327 0.000) 19.540 13.368 ( -1.466 -20.215 0.000) 20.268 13.969 ( -3.036 11.605 0.000) 11.995 14.230 ( 2.650 -13.970 0.000) 14.220 15.901 ( 3.469 19.736 0.000) 20.038 16.320 ( 3.180 -20.866 0.000) 21.107 17.997 ( -2.748 17.293 0.000) 17.510 18.322 ( -7.420 -13.903 0.000) 15.759 19.456 ( -1.899 8.034 0.000) 8.256 19.586 ( -1.518 -4.760 0.000) 4.996 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 8.788 18.827 0.000) 20.777 1.763 ( 17.197 19.535 0.000) 26.026 2.004 ( 2.110 -13.749 0.000) 13.910 2.217 ( 10.377 -23.352 0.000) 25.554 3.009 ( 25.103 19.092 0.000) 31.538 3.291 ( 8.197 -6.783 0.000) 10.640 4.135 ( 7.935 6.590 0.000) 10.315 4.194 ( -16.187 21.871 0.000) 27.209 4.289 ( 7.837 -8.011 0.000) 11.207 4.696 ( -19.407 -25.999 0.000) 32.444 5.397 ( -8.264 2.214 0.000) 8.556 5.440 ( -7.460 -1.925 0.000) 7.705 5.737 ( 12.118 5.163 0.000) 13.172 5.924 ( -3.135 -10.080 0.000) 10.556 7.151 ( -1.135 17.914 0.000) 17.950 7.404 ( 8.430 -6.147 0.000) 10.434 8.056 ( -3.109 2.248 0.000) 3.837 8.199 ( 0.939 -9.778 0.000) 9.823 8.531 ( -7.103 4.144 0.000) 8.223 8.619 ( -7.462 -4.142 0.000) 8.534 9.467 ( -9.431 27.809 0.000) 29.365 9.852 ( -9.938 -7.231 0.000) 12.290 10.278 ( -9.765 -0.724 0.000) 9.792 10.428 ( -6.397 -13.723 0.000) 15.141 10.901 ( 4.425 2.887 0.000) 5.283 10.964 ( 4.566 -3.169 0.000) 5.558 11.289 ( 18.359 9.653 0.000) 20.743 11.349 ( -1.647 2.755 0.000) 3.210 11.401 ( -1.470 -2.229 0.000) 2.670 11.518 ( 22.478 -12.656 0.000) 25.796 12.943 ( 0.072 17.601 0.000) 17.601 12.965 ( 1.712 0.738 0.000) 1.864 12.980 ( 1.381 -0.765 0.000) 1.579 13.255 ( -9.064 -11.833 0.000) 14.906 13.850 ( -8.815 12.782 0.000) 15.527 14.206 ( -5.998 -21.320 0.000) 22.147 16.070 ( 14.058 17.328 0.000) 22.313 16.454 ( 10.583 -19.652 0.000) 22.320 17.899 ( -7.521 13.481 0.000) 15.437 18.126 ( -12.163 -7.992 0.000) 14.554 19.434 ( -0.174 6.555 0.000) 6.558 19.549 ( -1.961 -4.416 0.000) 4.832 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 7.971 10.701 0.000) 13.344 2.036 ( 0.866 -8.598 0.000) 8.641 2.136 ( 19.706 12.126 0.000) 23.138 2.459 ( 12.934 -17.647 0.000) 21.879 3.290 ( 3.094 11.678 0.000) 12.081 3.374 ( 0.691 3.192 0.000) 3.266 4.004 ( -3.808 7.988 0.000) 8.849 4.326 ( 11.460 6.249 0.000) 13.053 4.338 ( -17.119 -23.276 0.000) 28.893 4.470 ( 10.329 -7.407 0.000) 12.711 5.203 ( -11.282 3.236 0.000) 11.737 5.263 ( -10.432 -2.531 0.000) 10.735 5.842 ( 1.403 7.044 0.000) 7.182 5.948 ( 4.800 -3.108 0.000) 5.718 7.294 ( 16.118 21.287 0.000) 26.701 7.677 ( 17.965 -14.153 0.000) 22.870 8.027 ( -0.321 3.770 0.000) 3.783 8.199 ( -1.377 -10.375 0.000) 10.466 8.405 ( -5.200 3.173 0.000) 6.092 8.474 ( -6.809 -3.323 0.000) 7.577 9.164 ( -21.325 20.369 0.000) 29.489 9.509 ( -23.774 -11.050 0.000) 26.216 10.142 ( -2.290 4.077 0.000) 4.676 10.324 ( -4.345 -10.956 0.000) 11.786 10.990 ( 4.511 2.731 0.000) 5.273 11.052 ( 3.966 -3.171 0.000) 5.078 11.313 ( -1.773 2.818 0.000) 3.329 11.365 ( -2.135 -2.182 0.000) 3.053 11.702 ( 22.463 12.153 0.000) 25.539 11.951 ( 20.988 -11.809 0.000) 24.082 12.903 ( -6.133 10.134 0.000) 11.845 12.997 ( 1.497 0.433 0.000) 1.559 13.006 ( 1.162 -0.442 0.000) 1.243 13.045 ( -11.738 -3.314 0.000) 12.197 13.684 ( -5.887 11.961 0.000) 13.331 14.024 ( -11.163 -19.317 0.000) 22.310 16.417 ( 19.984 12.451 0.000) 23.546 16.710 ( 14.577 -15.558 0.000) 21.320 17.702 ( -12.244 9.740 0.000) 15.646 17.859 ( -14.739 -5.125 0.000) 15.604 19.444 ( 0.944 3.824 0.000) 3.939 19.515 ( -1.506 -2.879 0.000) 3.249 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 5.074 3.391 0.000) 6.103 2.029 ( -1.759 -2.905 0.000) 3.396 2.482 ( 14.030 6.070 0.000) 15.287 2.623 ( 1.026 -6.258 0.000) 6.341 3.298 ( 1.941 11.932 0.000) 12.089 3.357 ( -2.115 6.263 0.000) 6.610 3.951 ( -1.254 -11.997 0.000) 12.062 4.046 ( -11.334 -20.441 0.000) 23.373 4.564 ( 11.758 4.103 0.000) 12.454 4.656 ( 5.893 -4.603 0.000) 7.478 4.992 ( -7.455 3.132 0.000) 8.087 5.051 ( -10.158 -2.534 0.000) 10.469 5.922 ( 5.527 10.768 0.000) 12.104 5.992 ( -0.750 4.075 0.000) 4.144 7.717 ( 23.993 16.581 0.000) 29.165 8.004 ( 4.873 2.995 0.000) 5.720 8.026 ( 4.197 -7.899 0.000) 8.945 8.143 ( -4.776 -5.465 0.000) 7.258 8.343 ( -0.981 1.089 0.000) 1.465 8.369 ( -3.578 -1.401 0.000) 3.843 8.780 ( -9.298 5.505 0.000) 10.805 9.005 ( -24.693 -13.113 0.000) 27.959 10.166 ( 3.408 2.839 0.000) 4.435 10.243 ( -4.103 -3.984 0.000) 5.719 11.069 ( 3.241 1.649 0.000) 3.636 11.101 ( 0.487 -1.287 0.000) 1.376 11.293 ( 0.165 1.184 0.000) 1.195 11.321 ( -2.212 -1.385 0.000) 2.610 12.127 ( 19.482 9.639 0.000) 21.737 12.287 ( 9.287 -5.229 0.000) 10.658 12.711 ( -8.324 6.928 0.000) 10.830 12.807 ( -12.452 -1.899 0.000) 12.596 13.019 ( 0.671 0.144 0.000) 0.686 13.022 ( 0.364 -0.137 0.000) 0.389 13.670 ( 4.129 2.493 0.000) 4.823 13.812 ( -9.665 -10.447 0.000) 14.232 16.800 ( 17.370 7.127 0.000) 18.775 16.950 ( 5.786 -6.636 0.000) 8.804 17.477 ( -6.837 4.485 0.000) 8.177 17.574 ( -13.174 -4.181 0.000) 13.821 19.465 ( 1.184 1.327 0.000) 1.779 19.489 ( -1.218 -0.871 0.000) 1.497 ======================= Grid point 45 (16/120) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 0.000 29.922) 29.922 0.792 ( 0.000 0.000 37.697) 37.697 1.469 ( 0.000 0.000 69.735) 69.735 2.584 ( 0.000 0.000 23.426) 23.426 2.690 ( 0.000 0.000 2.701) 2.701 3.420 ( 0.000 0.000 -9.448) 9.448 4.425 ( 0.000 0.000 8.936) 8.936 4.452 ( 0.000 0.000 -0.600) 0.600 4.611 ( 0.000 0.000 25.583) 25.583 4.991 ( 0.000 0.000 32.994) 32.994 5.704 ( 0.000 0.000 15.365) 15.365 5.733 ( 0.000 0.000 11.893) 11.893 6.068 ( 0.000 0.000 -3.442) 3.442 6.165 ( 0.000 0.000 -2.011) 2.011 6.863 ( 0.000 0.000 -1.222) 1.222 6.969 ( 0.000 0.000 -0.779) 0.779 8.070 ( 0.000 0.000 -1.759) 1.759 8.383 ( 0.000 0.000 -0.098) 0.098 8.398 ( 0.000 0.000 -1.841) 1.841 9.087 ( 0.000 0.000 39.592) 39.592 9.453 ( 0.000 0.000 -3.153) 3.153 10.024 ( 0.000 0.000 -6.054) 6.054 10.107 ( 0.000 0.000 -27.760) 27.760 10.765 ( 0.000 0.000 2.352) 2.352 11.021 ( 0.000 0.000 -3.044) 3.044 11.041 ( 0.000 0.000 11.634) 11.634 11.269 ( 0.000 0.000 -3.564) 3.564 11.414 ( 0.000 0.000 2.598) 2.598 11.537 ( 0.000 0.000 15.770) 15.770 11.611 ( 0.000 0.000 -12.435) 12.435 12.760 ( 0.000 0.000 6.554) 6.554 12.962 ( 0.000 0.000 4.761) 4.761 12.980 ( 0.000 0.000 0.224) 0.224 13.669 ( 0.000 0.000 -4.128) 4.128 14.275 ( 0.000 0.000 -6.963) 6.963 14.931 ( 0.000 0.000 -1.617) 1.617 15.357 ( 0.000 0.000 -1.567) 1.567 16.972 ( 0.000 0.000 -6.214) 6.214 17.281 ( 0.000 0.000 -4.700) 4.700 18.096 ( 0.000 0.000 -4.999) 4.999 19.033 ( 0.000 0.000 -3.208) 3.208 19.626 ( 0.000 0.000 -5.101) 5.101 ======================= Grid point 46 (17/120) ======================= q-point: ( 0.11 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 23.191 0.000 26.589) 35.282 1.171 ( 33.503 0.000 23.367) 40.847 1.728 ( 29.916 0.000 51.406) 59.477 2.551 ( -1.820 0.000 18.697) 18.786 2.769 ( 5.895 0.000 7.977) 9.919 3.340 ( -6.822 0.000 -7.413) 10.074 4.037 ( -18.970 0.000 2.657) 19.155 4.467 ( -7.651 0.000 33.965) 34.816 4.673 ( 6.398 0.000 19.885) 20.889 5.303 ( 25.277 0.000 15.840) 29.830 5.652 ( -5.220 0.000 15.306) 16.172 5.695 ( -4.139 0.000 10.531) 11.315 5.937 ( -14.541 0.000 -1.672) 14.636 5.970 ( -8.913 0.000 -1.661) 9.066 6.741 ( -12.053 0.000 0.888) 12.086 7.288 ( 23.011 0.000 -3.612) 23.293 8.135 ( 5.426 0.000 -2.233) 5.868 8.302 ( -6.230 0.000 -0.392) 6.243 8.391 ( -0.504 0.000 -2.023) 2.085 9.022 ( -6.008 0.000 38.598) 39.063 9.490 ( -0.157 0.000 14.695) 14.696 9.966 ( -6.122 0.000 -5.688) 8.356 10.172 ( 7.891 0.000 -12.972) 15.184 10.769 ( -1.584 0.000 -1.375) 2.098 10.953 ( -4.650 0.000 1.091) 4.776 11.073 ( 2.674 0.000 11.280) 11.592 11.200 ( -11.658 0.000 9.441) 15.001 11.258 ( -3.540 0.000 -0.934) 3.661 11.556 ( 0.238 0.000 10.154) 10.157 11.721 ( 11.086 0.000 -13.411) 17.399 12.502 ( -17.448 0.000 23.817) 29.524 12.785 ( -0.589 0.000 -3.484) 3.534 13.002 ( 2.066 0.000 1.356) 2.471 13.567 ( -10.031 0.000 -3.960) 10.785 14.060 ( -16.520 0.000 -4.581) 17.143 15.189 ( 20.906 0.000 -3.826) 21.253 15.247 ( -11.380 0.000 -0.449) 11.389 17.001 ( 2.932 0.000 -6.429) 7.065 17.305 ( 1.843 0.000 -5.031) 5.358 18.142 ( -1.644 0.000 -12.764) 12.869 19.074 ( 3.958 0.000 -4.141) 5.729 19.608 ( -1.737 0.000 -5.172) 5.456 ======================= Grid point 47 (18/120) ======================= q-point: ( 0.22 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 26.791 0.000 14.044) 30.249 1.641 ( 18.962 0.000 38.125) 42.581 2.500 ( 37.495 0.000 14.677) 40.265 2.532 ( -0.111 0.000 19.889) 19.889 2.872 ( 4.111 0.000 9.179) 10.057 3.217 ( -5.071 0.000 -3.220) 6.007 3.773 ( -3.821 0.000 1.941) 4.286 4.422 ( 2.847 0.000 33.590) 33.710 4.795 ( 7.119 0.000 24.515) 25.527 5.459 ( -13.475 0.000 1.581) 13.568 5.498 ( -10.427 0.000 12.130) 15.996 5.575 ( -7.741 0.000 9.682) 12.396 5.759 ( -12.522 0.000 2.842) 12.840 6.052 ( 29.174 0.000 4.415) 29.506 6.425 ( -19.039 0.000 5.438) 19.801 7.696 ( 16.321 0.000 -3.684) 16.732 8.200 ( -0.706 0.000 -2.819) 2.906 8.247 ( 3.484 0.000 -1.253) 3.703 8.403 ( 2.157 0.000 -1.603) 2.688 8.890 ( -6.653 0.000 36.159) 36.766 9.377 ( -9.874 0.000 42.308) 43.445 9.775 ( -13.218 0.000 -4.384) 13.927 10.374 ( 8.209 0.000 -14.631) 16.777 10.599 ( -14.026 0.000 -6.984) 15.669 10.953 ( 3.654 0.000 8.668) 9.406 11.079 ( 1.994 0.000 2.197) 2.966 11.146 ( 4.606 0.000 9.997) 11.007 11.220 ( -0.742 0.000 -3.373) 3.454 11.547 ( -0.867 0.000 9.289) 9.329 12.010 ( 16.889 0.000 -16.511) 23.619 12.384 ( 1.632 0.000 11.965) 12.075 12.780 ( -0.342 0.000 -7.665) 7.672 13.028 ( -1.948 0.000 0.693) 2.068 13.323 ( -12.265 0.000 -0.519) 12.276 13.744 ( -14.091 0.000 -2.133) 14.252 14.951 ( -17.674 0.000 1.579) 17.745 15.640 ( 24.216 0.000 -5.587) 24.852 17.083 ( 5.276 0.000 -6.993) 8.760 17.316 ( -1.603 0.000 -5.779) 5.997 18.009 ( -10.426 0.000 -11.151) 15.266 19.167 ( 5.055 0.000 -5.804) 7.697 19.562 ( -2.854 0.000 -5.412) 6.118 ======================= Grid point 48 (19/120) ======================= q-point: ( 0.33 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 15.548 0.000 35.194) 38.475 2.035 ( 19.196 0.000 5.316) 19.919 2.544 ( 0.906 0.000 26.592) 26.607 2.841 ( -4.124 0.000 2.357) 4.750 2.945 ( 4.776 0.000 6.936) 8.421 3.173 ( 3.469 0.000 -0.822) 3.565 4.063 ( 28.950 0.000 2.381) 29.048 4.561 ( 10.913 0.000 31.958) 33.770 4.968 ( 10.653 0.000 25.603) 27.730 5.171 ( -12.250 0.000 -0.019) 12.250 5.262 ( -13.117 0.000 10.001) 16.495 5.402 ( -10.311 0.000 10.321) 14.589 5.459 ( -17.941 0.000 4.066) 18.396 6.044 ( -19.053 0.000 11.415) 22.210 6.682 ( 32.790 0.000 1.994) 32.851 7.897 ( 6.513 0.000 -2.602) 7.013 8.107 ( -8.373 0.000 -3.524) 9.085 8.410 ( -3.870 0.000 -0.449) 3.896 8.470 ( 16.364 0.000 -2.460) 16.547 8.772 ( -5.285 0.000 33.125) 33.544 9.175 ( -9.163 0.000 46.553) 47.446 9.501 ( -12.492 0.000 -0.900) 12.524 10.313 ( -13.641 0.000 -5.791) 14.819 10.371 ( -7.160 0.000 -14.060) 15.778 11.037 ( 4.375 0.000 9.173) 10.163 11.171 ( 0.856 0.000 -2.668) 2.802 11.245 ( 5.255 0.000 8.439) 9.941 11.333 ( 13.606 0.000 0.841) 13.632 11.546 ( 3.324 0.000 8.393) 9.027 12.309 ( 11.441 0.000 -16.678) 20.225 12.479 ( 6.987 0.000 10.130) 12.306 12.769 ( -0.720 0.000 -15.397) 15.414 12.815 ( -16.641 0.000 -8.430) 18.654 13.153 ( -9.248 0.000 3.412) 9.857 13.614 ( 3.760 0.000 4.630) 5.964 14.585 ( -19.286 0.000 3.474) 19.597 16.118 ( 24.211 0.000 -6.517) 25.073 17.204 ( 7.074 0.000 -7.731) 10.480 17.217 ( -8.915 0.000 -6.403) 10.976 17.778 ( -12.319 0.000 -9.879) 15.791 19.263 ( 4.726 0.000 -6.671) 8.175 19.500 ( -3.406 0.000 -5.836) 6.758 ======================= Grid point 49 (20/120) ======================= q-point: ( 0.44 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 9.533 0.000 28.852) 30.386 2.284 ( 5.845 0.000 8.563) 10.368 2.543 ( 0.043 0.000 24.057) 24.057 2.648 ( -10.204 0.000 4.972) 11.351 3.104 ( 10.170 0.000 4.226) 11.013 3.232 ( -1.013 0.000 1.295) 1.644 4.603 ( 23.668 0.000 -0.125) 23.668 4.796 ( 10.603 0.000 25.480) 27.599 5.004 ( -12.756 0.000 10.650) 16.617 5.040 ( -21.546 0.000 5.104) 22.143 5.050 ( 3.907 0.000 7.515) 8.470 5.217 ( -10.250 0.000 10.850) 14.926 5.274 ( 18.794 0.000 18.942) 26.684 5.670 ( -19.873 0.000 16.253) 25.673 7.309 ( 30.796 0.000 -0.538) 30.800 7.837 ( -20.914 0.000 -3.000) 21.128 8.032 ( 8.026 0.000 -2.168) 8.314 8.227 ( -11.920 0.000 -1.350) 11.997 8.719 ( 4.890 0.000 12.014) 12.971 8.721 ( 0.492 0.000 29.913) 29.917 9.112 ( 5.647 0.000 28.557) 29.111 9.303 ( -9.790 0.000 6.469) 11.735 10.130 ( -3.229 0.000 -6.282) 7.063 10.196 ( -8.341 0.000 -9.391) 12.560 11.113 ( 3.222 0.000 7.063) 7.763 11.160 ( -1.538 0.000 2.394) 2.845 11.342 ( 4.514 0.000 7.581) 8.824 11.413 ( -2.274 0.000 6.678) 7.055 11.853 ( 22.625 0.000 0.267) 22.627 12.276 ( -17.458 0.000 -1.923) 17.564 12.618 ( 5.244 0.000 5.280) 7.442 12.628 ( 0.823 0.000 -17.810) 17.829 12.770 ( 2.607 0.000 -19.172) 19.349 12.929 ( -11.667 0.000 -2.314) 11.894 13.842 ( 16.738 0.000 7.823) 18.476 14.204 ( -19.388 0.000 5.740) 20.220 16.575 ( 22.085 0.000 -6.899) 23.137 16.963 ( -16.890 0.000 -6.831) 18.219 17.359 ( 8.753 0.000 -8.477) 12.185 17.549 ( -10.753 0.000 -9.161) 14.126 19.351 ( 4.241 0.000 -6.756) 7.976 19.430 ( -3.797 0.000 -6.362) 7.409 ======================= Grid point 54 (21/120) ======================= q-point: ( 0.00 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.000 19.680 23.901) 30.961 0.943 ( 0.000 27.066 18.187) 32.609 1.893 ( 0.000 30.533 53.467) 61.571 2.464 ( 0.000 -11.931 19.500) 22.860 2.570 ( 0.000 -13.310 3.074) 13.661 3.348 ( 0.000 -7.804 -4.535) 9.026 4.352 ( 0.000 -9.456 33.408) 34.721 4.504 ( 0.000 4.863 4.887) 6.895 4.642 ( 0.000 19.626 6.337) 20.624 4.902 ( 0.000 -6.954 28.405) 29.244 5.712 ( 0.000 0.438 15.044) 15.050 5.722 ( 0.000 -1.290 11.176) 11.250 5.809 ( 0.000 -20.942 -2.759) 21.123 6.419 ( 0.000 -26.584 2.240) 26.678 6.615 ( 0.000 27.740 -12.679) 30.500 7.244 ( 0.000 10.265 -4.166) 11.078 8.260 ( 0.000 4.326 -5.215) 6.776 8.340 ( 0.000 -4.675 -1.740) 4.988 8.509 ( 0.000 17.425 -7.044) 18.795 9.111 ( 0.000 1.596 37.899) 37.932 9.616 ( 0.000 13.583 -3.162) 13.946 9.858 ( 0.000 -4.975 -14.203) 15.049 10.346 ( 0.000 13.684 -17.608) 22.300 10.569 ( 0.000 -28.366 22.026) 35.913 10.818 ( 0.000 -5.299 1.814) 5.601 11.034 ( 0.000 -0.440 11.766) 11.774 11.082 ( 0.000 -17.436 -3.453) 17.775 11.296 ( 0.000 -10.639 9.661) 14.371 11.445 ( 0.000 2.803 3.657) 4.607 11.619 ( 0.000 -0.808 6.543) 6.592 12.779 ( 0.000 1.164 3.280) 3.480 12.853 ( 0.000 -5.643 -1.302) 5.791 13.031 ( 0.000 7.286 8.087) 10.885 13.750 ( 0.000 6.903 -5.141) 8.607 14.209 ( 0.000 -34.280 28.588) 44.636 14.236 ( 0.000 -3.772 -6.743) 7.726 15.512 ( 0.000 13.532 -1.631) 13.630 16.675 ( 0.000 -19.657 -4.723) 20.216 17.561 ( 0.000 18.012 -6.547) 19.165 18.403 ( 0.000 3.233 -23.257) 23.481 19.150 ( 0.000 11.603 -7.054) 13.579 19.603 ( 0.000 -2.340 -5.477) 5.956 ======================= Grid point 55 (22/120) ======================= q-point: ( 0.11 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 19.307 9.396 21.132) 30.126 1.385 ( 27.596 18.771 19.632) 38.721 2.098 ( 22.283 26.593 39.955) 52.916 2.429 ( -1.277 -12.526 14.133) 18.928 2.657 ( 6.069 -11.257 10.974) 16.851 3.297 ( -4.045 -4.328 -4.299) 7.319 4.185 ( -19.945 13.912 1.132) 24.344 4.352 ( 0.737 -4.234 33.915) 34.186 4.672 ( 2.940 -0.652 26.281) 26.453 5.269 ( 24.038 -0.781 10.472) 26.231 5.576 ( -14.590 -20.336 -0.846) 25.043 5.666 ( -5.035 0.822 15.227) 16.059 5.709 ( -3.406 -1.300 11.101) 11.684 6.258 ( -13.756 1.351 -4.333) 14.486 6.792 ( 6.990 8.135 -2.567) 11.029 7.217 ( 2.987 1.896 -3.244) 4.800 8.203 ( -5.239 -1.189 -2.060) 5.753 8.294 ( -0.993 -5.509 -1.736) 5.861 8.576 ( 4.167 21.439 -6.857) 22.891 9.051 ( -5.687 2.431 37.819) 38.322 9.596 ( -6.121 9.562 18.351) 21.579 9.867 ( 2.503 -5.512 -7.830) 9.898 10.299 ( -1.601 7.819 -7.508) 10.958 10.673 ( 4.959 -19.363 1.672) 20.057 10.762 ( -4.154 -1.467 -4.138) 6.044 11.054 ( 1.780 -2.273 10.090) 10.495 11.091 ( 1.276 -11.683 -3.435) 12.244 11.259 ( -2.536 -0.823 10.581) 10.912 11.496 ( 4.088 -2.187 4.996) 6.816 11.657 ( 5.525 -3.019 3.441) 7.175 12.623 ( -12.274 7.757 5.749) 15.616 12.783 ( -0.581 -0.214 -3.342) 3.399 13.050 ( 2.281 5.468 6.117) 8.516 13.631 ( -11.680 4.733 -4.573) 13.407 13.950 ( -11.052 -8.319 1.757) 13.944 14.661 ( 16.658 -28.381 4.700) 33.242 15.511 ( 2.686 15.432 -2.002) 15.792 16.701 ( 3.262 -19.923 -4.492) 20.682 17.561 ( -0.288 16.896 -6.689) 18.174 18.292 ( -9.769 3.119 -17.209) 20.033 19.170 ( 2.124 8.984 -6.265) 11.157 19.588 ( -1.518 -2.171 -5.667) 6.256 ======================= Grid point 56 (23/120) ======================= q-point: ( 0.22 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 24.676 2.071 15.713) 29.328 1.816 ( 17.457 13.097 30.163) 37.231 2.438 ( 2.261 -9.862 16.242) 19.136 2.686 ( 28.798 11.747 12.348) 33.463 2.764 ( 5.914 -7.571 13.163) 16.296 3.236 ( -1.841 1.722 -3.787) 4.549 3.872 ( -8.913 10.705 2.474) 14.148 4.417 ( 6.184 1.561 32.732) 33.348 4.763 ( 6.398 -2.984 27.149) 28.052 5.196 ( -17.930 -21.348 0.383) 27.881 5.522 ( -9.579 1.627 13.719) 16.811 5.577 ( -4.904 -1.078 10.762) 11.875 5.783 ( 7.501 -1.238 2.461) 7.991 6.025 ( -1.861 1.730 6.509) 6.987 6.719 ( -6.286 20.456 0.301) 21.402 7.482 ( 18.462 -11.510 -3.260) 21.999 8.092 ( -3.840 -4.408 -0.826) 5.904 8.326 ( 1.658 -7.121 -2.494) 7.725 8.633 ( 1.370 21.867 -4.205) 22.309 8.918 ( -7.191 2.620 36.053) 36.856 9.406 ( -11.301 3.511 40.771) 42.454 9.803 ( -10.331 2.278 -4.709) 11.580 10.314 ( -0.942 -5.042 -9.928) 11.174 10.543 ( -10.780 -6.531 -8.499) 15.202 10.848 ( 7.918 -4.147 -1.927) 9.143 11.093 ( 2.249 -5.846 2.197) 6.638 11.169 ( 7.491 1.725 3.512) 8.452 11.248 ( 1.933 5.956 7.466) 9.744 11.536 ( 0.560 -0.414 8.789) 8.816 11.885 ( 16.006 -8.844 -3.436) 18.607 12.512 ( 0.031 8.829 -1.522) 8.960 12.771 ( -0.818 -0.920 -8.611) 8.699 13.090 ( -0.244 5.572 5.630) 7.925 13.354 ( -14.341 2.380 -2.047) 14.681 13.726 ( -11.078 -0.070 -0.810) 11.107 14.712 ( -9.221 -21.157 2.436) 23.207 15.736 ( 19.306 10.298 -4.241) 22.288 16.808 ( 7.323 -18.757 -5.196) 20.795 17.528 ( -3.716 13.899 -7.163) 16.071 18.065 ( -12.925 1.957 -11.933) 17.700 19.227 ( 3.413 5.445 -6.322) 9.015 19.546 ( -2.667 -1.834 -5.756) 6.604 ======================= Grid point 57 (24/120) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 19.302 0.992 17.959) 26.383 2.121 ( 13.953 7.443 22.102) 27.177 2.488 ( 2.118 -5.296 25.105) 25.745 2.830 ( 0.822 -7.545 7.919) 10.968 3.003 ( 3.069 10.028 1.442) 10.586 3.225 ( 1.420 4.497 -1.992) 5.119 3.978 ( 17.249 -4.461 1.842) 17.912 4.592 ( 11.142 3.230 31.496) 33.564 4.845 ( -16.743 -23.532 0.013) 28.880 4.921 ( 8.737 -4.209 27.351) 29.019 5.307 ( -11.824 2.994 13.398) 18.119 5.437 ( -8.460 0.396 13.033) 15.543 5.635 ( -9.625 12.774 0.765) 16.012 6.069 ( -6.077 0.602 10.797) 12.404 6.870 ( 22.702 16.829 0.220) 28.260 7.795 ( 11.521 -5.909 -3.445) 13.398 8.081 ( 1.835 -5.631 -1.611) 6.137 8.326 ( -1.634 -7.126 -2.062) 7.596 8.607 ( -4.014 11.321 -1.822) 12.149 8.788 ( -5.332 1.476 33.271) 33.728 9.188 ( -10.409 1.960 43.488) 44.759 9.551 ( -13.476 3.372 -0.165) 13.893 10.170 ( -9.658 -8.890 -5.313) 14.161 10.370 ( -7.995 -3.466 -11.454) 14.392 10.999 ( 6.460 -1.766 3.050) 7.359 11.132 ( 1.339 -3.671 -0.937) 4.018 11.289 ( 3.766 2.970 6.692) 8.233 11.391 ( 7.898 3.252 4.590) 9.696 11.591 ( 9.742 5.750 7.534) 13.592 12.200 ( 14.430 -8.147 -5.192) 17.365 12.568 ( 4.456 5.852 -3.261) 8.046 12.743 ( -2.790 -1.185 -15.632) 15.923 12.915 ( -14.460 7.576 -4.954) 17.059 13.155 ( -9.487 0.026 2.630) 9.845 13.616 ( 2.602 1.321 4.370) 5.255 14.440 ( -16.409 -13.665 3.702) 21.673 16.169 ( 23.340 5.739 -5.928) 24.756 16.965 ( 7.521 -14.216 -6.160) 17.223 17.407 ( -8.075 10.071 -7.762) 15.063 17.800 ( -13.831 0.609 -10.030) 17.096 19.297 ( 3.601 3.005 -6.669) 8.153 19.489 ( -2.999 -1.199 -5.976) 6.793 ======================= Grid point 58 (25/120) ======================= q-point: ( 0.44 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 9.662 2.021 27.093) 28.835 2.325 ( 4.163 3.289 15.783) 16.651 2.532 ( 4.486 -0.711 20.341) 20.842 2.699 ( -10.551 3.136 4.670) 11.956 3.126 ( 8.874 3.061 2.846) 9.809 3.244 ( -1.692 1.980 0.713) 2.700 4.301 ( 13.564 -20.641 -1.124) 24.725 4.549 ( -13.177 -25.945 -0.428) 29.103 4.813 ( 10.956 1.237 27.256) 29.402 5.018 ( -6.385 -2.540 24.046) 25.009 5.129 ( 0.795 2.054 16.144) 16.293 5.257 ( -8.999 0.604 13.722) 16.421 5.620 ( 8.974 21.413 6.159) 24.021 5.864 ( -12.940 13.787 10.116) 21.444 7.410 ( 29.050 9.719 -1.208) 30.657 7.865 ( -10.022 2.778 -3.515) 10.977 8.077 ( 0.055 2.621 -2.369) 3.533 8.185 ( -10.040 -3.698 -1.440) 10.796 8.633 ( 7.138 -6.265 8.514) 12.755 8.728 ( -2.215 -0.860 25.341) 25.452 9.068 ( 1.426 -2.627 33.867) 33.999 9.270 ( -15.230 -4.162 10.266) 18.832 10.088 ( 2.135 -1.746 -6.074) 6.671 10.206 ( -8.286 -0.612 -8.548) 11.921 11.094 ( 3.424 -1.274 3.765) 5.246 11.137 ( -0.923 -1.948 0.811) 2.303 11.361 ( 3.445 1.473 8.690) 9.464 11.416 ( -1.965 0.136 8.028) 8.266 11.945 ( 21.480 8.121 0.731) 22.975 12.309 ( -10.310 1.807 -2.177) 10.691 12.618 ( 1.909 1.780 -2.355) 3.515 12.665 ( 0.303 2.034 -9.933) 10.144 12.783 ( 1.104 1.250 -18.252) 18.328 12.928 ( -11.738 -0.295 -2.864) 12.086 13.799 ( 13.953 -3.330 7.234) 16.066 14.109 ( -16.915 -8.728 5.595) 19.839 16.616 ( 21.577 4.038 -6.603) 22.923 16.966 ( -11.485 -0.895 -6.501) 13.228 17.340 ( 5.536 -0.368 -8.631) 10.261 17.538 ( -12.488 -1.465 -9.177) 15.566 19.365 ( 3.398 1.247 -6.659) 7.579 19.429 ( -3.151 -0.144 -6.343) 7.084 ======================= Grid point 63 (26/120) ======================= q-point: ( 0.00 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.000 31.629 7.270) 32.454 1.534 ( 0.000 29.022 10.314) 30.800 2.087 ( 0.000 -22.757 7.855) 24.074 2.090 ( 0.000 -24.479 10.437) 26.611 2.591 ( 0.000 26.273 33.615) 42.664 3.074 ( 0.000 -18.988 12.633) 22.807 4.336 ( 0.000 5.795 31.309) 31.841 4.507 ( 0.000 -7.861 30.280) 31.283 4.924 ( 0.000 13.571 1.567) 13.661 5.143 ( 0.000 26.567 1.436) 26.606 5.334 ( 0.000 -22.312 -2.216) 22.422 5.631 ( 0.000 -12.420 3.422) 12.883 5.745 ( 0.000 2.317 16.336) 16.499 5.896 ( 0.000 -18.882 12.159) 22.459 7.084 ( 0.000 17.670 -11.383) 21.020 7.314 ( 0.000 -4.068 -8.066) 9.034 8.259 ( 0.000 -1.338 -1.449) 1.972 8.259 ( 0.000 -2.145 -1.082) 2.402 8.882 ( 0.000 15.218 -2.487) 15.420 9.093 ( 0.000 -5.021 21.305) 21.889 9.759 ( 0.000 5.570 3.347) 6.498 10.021 ( 0.000 -20.346 26.356) 33.295 10.101 ( 0.000 23.656 -5.043) 24.188 10.605 ( 0.000 10.709 -14.882) 18.334 10.614 ( 0.000 -24.324 -4.354) 24.711 10.762 ( 0.000 -5.265 -7.046) 8.796 11.042 ( 0.000 1.839 12.038) 12.178 11.129 ( 0.000 -6.499 8.960) 11.068 11.515 ( 0.000 3.688 5.780) 6.856 11.583 ( 0.000 -2.708 7.513) 7.986 12.792 ( 0.000 0.245 -1.747) 1.764 12.799 ( 0.000 -0.784 -4.348) 4.419 13.266 ( 0.000 15.332 13.415) 20.373 13.641 ( 0.000 -20.681 17.300) 26.962 13.953 ( 0.000 8.404 -3.114) 8.963 14.122 ( 0.000 -7.250 -5.970) 9.392 15.854 ( 0.000 18.902 -2.527) 19.071 16.261 ( 0.000 -20.386 -3.586) 20.699 17.926 ( 0.000 17.220 -8.952) 19.408 18.249 ( 0.000 -13.597 -13.359) 19.062 19.379 ( 0.000 9.298 -8.307) 12.468 19.526 ( 0.000 -5.270 -6.599) 8.445 ======================= Grid point 64 (27/120) ======================= q-point: ( 0.11 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 6.726 25.991 8.132) 28.052 1.839 ( 17.893 23.246 16.351) 33.584 2.015 ( 1.061 -24.541 5.698) 25.216 2.287 ( 10.847 -18.117 16.769) 26.965 2.709 ( 12.123 23.351 24.349) 35.848 3.113 ( 4.128 -14.574 6.660) 16.547 4.381 ( 4.504 6.451 31.431) 32.401 4.517 ( -4.525 4.954 15.686) 17.060 4.626 ( -12.239 8.553 18.201) 23.542 5.076 ( -18.620 -24.428 -0.536) 30.720 5.427 ( 15.525 14.042 1.289) 20.973 5.657 ( -1.694 -4.086 8.723) 9.781 5.717 ( -1.900 3.401 16.148) 16.612 5.952 ( 3.116 -20.480 6.295) 21.651 7.101 ( 1.801 15.063 -8.306) 17.295 7.275 ( -3.155 -1.036 -7.248) 7.972 8.156 ( -7.763 -1.944 -1.125) 8.082 8.174 ( -4.332 -4.240 -1.766) 6.314 8.948 ( 3.344 12.456 4.657) 13.712 9.080 ( -2.759 -1.180 28.001) 28.161 9.784 ( -9.145 4.874 15.682) 18.796 9.827 ( 1.356 1.609 2.722) 3.440 10.334 ( 8.192 -0.405 0.378) 8.210 10.459 ( -8.278 -3.646 -9.714) 13.274 10.727 ( 0.869 -2.113 -10.384) 10.632 10.770 ( 7.639 -10.747 -10.038) 16.571 11.091 ( 5.104 2.800 10.873) 12.333 11.177 ( 5.106 -5.187 10.098) 12.447 11.527 ( 1.375 3.456 6.770) 7.724 11.598 ( 2.018 -3.166 7.777) 8.636 12.733 ( -5.055 3.099 -6.100) 8.507 12.772 ( -1.775 -1.032 -4.978) 5.385 13.252 ( -0.586 13.819 12.739) 18.804 13.556 ( -8.199 -13.453 8.827) 18.059 13.941 ( -2.260 9.262 -2.261) 9.798 14.208 ( 5.553 -16.567 -1.467) 17.534 15.874 ( 3.236 19.343 -2.660) 19.792 16.284 ( 3.186 -20.468 -3.491) 21.007 17.903 ( -2.674 15.837 -8.933) 18.378 18.186 ( -6.231 -11.071 -12.361) 17.725 19.367 ( -0.858 8.797 -7.459) 11.565 19.512 ( -1.368 -5.373 -6.528) 8.564 ======================= Grid point 65 (28/120) ======================= q-point: ( 0.22 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 17.187 16.347 9.160) 25.427 2.097 ( 9.453 -6.278 16.072) 19.675 2.154 ( 11.293 3.039 19.183) 22.467 2.463 ( 6.885 -15.217 22.942) 28.378 3.024 ( 16.952 13.987 4.883) 22.513 3.222 ( 5.919 -4.735 -2.782) 8.074 4.207 ( -15.440 20.956 1.449) 26.070 4.514 ( 8.149 7.115 32.127) 33.899 4.652 ( -0.607 -11.802 22.265) 25.207 4.718 ( -11.504 -19.607 11.937) 25.676 5.551 ( -7.398 0.612 10.373) 12.756 5.555 ( -4.633 -0.213 12.068) 12.928 5.796 ( 9.083 4.613 7.241) 12.499 5.959 ( -0.645 -8.517 5.798) 10.323 7.112 ( 0.971 16.205 -3.086) 16.524 7.335 ( 10.921 -5.911 -5.296) 13.500 8.035 ( -3.884 0.604 -1.309) 4.142 8.147 ( 0.205 -8.928 -2.994) 9.419 8.938 ( -4.468 6.655 18.060) 19.758 8.977 ( -7.118 1.922 29.412) 30.322 9.579 ( -10.929 13.410 18.551) 25.365 9.806 ( -7.433 -4.893 -1.817) 9.082 10.231 ( -10.291 -0.505 -4.989) 11.448 10.346 ( -7.043 -10.228 -6.263) 13.908 10.839 ( 9.401 2.684 -7.805) 12.510 10.939 ( 7.516 -6.880 -6.543) 12.109 11.239 ( 8.797 3.999 6.086) 11.420 11.304 ( 6.551 -1.298 7.431) 9.991 11.578 ( 4.643 5.006 9.091) 11.370 11.713 ( 11.145 -7.674 6.217) 14.892 12.663 ( -1.534 5.390 -10.755) 12.127 12.738 ( -1.411 -2.384 -10.774) 11.124 13.232 ( -2.799 7.484 9.263) 12.233 13.355 ( -11.581 -3.484 2.786) 12.410 13.843 ( -6.899 12.998 -0.603) 14.728 14.229 ( -4.174 -23.148 1.789) 23.589 16.032 ( 13.232 17.335 -3.741) 22.126 16.412 ( 9.984 -19.354 -4.107) 22.161 17.807 ( -7.404 12.542 -8.847) 17.041 18.013 ( -11.206 -6.933 -10.714) 16.983 19.359 ( 0.177 6.689 -6.675) 9.451 19.479 ( -1.811 -4.717 -6.309) 8.083 ======================= Grid point 66 (29/120) ======================= q-point: ( 0.33 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 16.978 9.429 14.303) 24.119 2.276 ( 7.719 -1.690 22.337) 23.693 2.362 ( 9.878 1.974 20.931) 23.229 2.588 ( 6.791 -13.476 16.003) 21.996 3.234 ( 3.466 9.229 -3.151) 10.350 3.306 ( 2.400 1.745 -4.613) 5.485 4.008 ( -4.940 8.985 1.560) 10.371 4.349 ( -16.632 -22.567 1.211) 28.060 4.689 ( 8.780 5.731 31.312) 33.021 4.814 ( 7.433 -6.056 29.840) 31.342 5.366 ( -10.252 2.679 13.649) 17.279 5.415 ( -8.971 -2.010 13.509) 16.341 5.875 ( 2.677 9.919 4.636) 11.271 6.030 ( 4.663 -4.833 8.967) 11.203 7.273 ( 16.189 20.449 -1.844) 26.147 7.636 ( 18.437 -13.025 -3.699) 22.875 7.994 ( -0.769 1.845 -1.899) 2.757 8.141 ( -1.129 -9.892 -3.135) 10.438 8.798 ( -10.814 4.923 14.644) 18.858 8.822 ( -6.941 1.241 29.649) 30.476 9.305 ( -16.569 10.193 24.069) 30.948 9.526 ( -19.720 -7.858 5.551) 21.942 10.087 ( -2.963 3.021 -5.142) 6.659 10.234 ( -4.153 -8.716 -7.859) 12.449 10.996 ( 6.075 1.435 -1.836) 6.507 11.051 ( 3.969 -3.662 -2.666) 6.022 11.351 ( 2.969 2.983 7.013) 8.179 11.401 ( 2.363 -1.570 7.190) 7.729 11.782 ( 16.427 11.235 5.425) 20.628 12.008 ( 17.032 -10.441 1.812) 20.060 12.667 ( 1.492 3.540 -12.306) 12.891 12.717 ( -0.966 -1.582 -15.347) 15.459 13.068 ( -13.457 5.975 -0.048) 14.724 13.142 ( -10.794 -1.670 1.270) 10.996 13.739 ( -2.227 11.954 4.044) 12.815 14.081 ( -9.555 -19.400 3.939) 21.981 16.362 ( 19.273 12.628 -5.270) 23.637 16.655 ( 13.915 -15.337 -5.369) 21.394 17.612 ( -12.178 9.244 -8.745) 17.613 17.760 ( -14.256 -4.775 -9.644) 17.862 19.372 ( 1.011 3.973 -6.510) 7.693 19.446 ( -1.503 -3.031 -6.237) 7.096 ======================= Grid point 67 (30/120) ======================= q-point: ( 0.44 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 6.637 3.391 28.572) 29.528 2.364 ( 0.861 -0.736 28.552) 28.574 2.558 ( 10.066 4.430 9.003) 14.213 2.679 ( -0.424 -5.305 5.726) 7.817 3.270 ( 3.105 9.288 -1.711) 9.941 3.324 ( -0.746 4.103 -2.376) 4.799 3.956 ( -0.473 -9.698 1.102) 9.772 4.059 ( -11.480 -18.820 1.678) 22.109 4.863 ( 8.840 3.366 26.657) 28.286 4.943 ( 3.926 -4.158 25.878) 26.502 5.181 ( -6.405 2.731 16.066) 17.510 5.234 ( -8.624 -2.206 15.776) 18.114 5.976 ( 6.347 11.697 6.271) 14.711 6.062 ( -1.558 3.514 7.579) 8.498 7.686 ( 22.891 16.076 -2.454) 28.079 7.950 ( 3.820 3.679 -4.432) 6.911 7.997 ( 4.621 -8.844 -1.663) 10.116 8.099 ( -3.741 -6.493 -2.971) 8.061 8.574 ( -6.535 3.014 5.044) 8.788 8.677 ( -9.179 -4.441 15.753) 18.765 9.052 ( -5.861 1.619 36.108) 36.616 9.142 ( -15.223 -6.735 23.478) 28.780 10.097 ( 2.755 2.436 -6.246) 7.248 10.162 ( -3.503 -3.224 -7.274) 8.694 11.080 ( 2.541 0.028 -0.480) 2.586 11.097 ( 0.752 -1.597 -1.387) 2.245 11.392 ( 1.478 1.374 10.009) 10.210 11.412 ( -0.554 -0.601 9.798) 9.832 12.137 ( 17.361 9.409 0.551) 19.755 12.287 ( 7.048 -4.478 -1.347) 8.458 12.682 ( -1.833 2.719 -6.311) 7.112 12.697 ( -0.140 0.837 -8.632) 8.673 12.830 ( -6.552 3.671 -12.900) 14.927 12.904 ( -11.573 -2.492 -5.332) 12.984 13.767 ( 4.540 1.785 6.195) 7.885 13.898 ( -8.460 -10.115 5.559) 14.310 16.736 ( 17.160 7.287 -6.149) 19.632 16.886 ( 5.642 -6.542 -6.067) 10.556 17.386 ( -7.000 4.368 -8.944) 12.169 17.480 ( -13.006 -4.128 -9.113) 16.408 19.395 ( 1.244 1.439 -6.445) 6.720 19.419 ( -1.284 -0.886 -6.327) 6.516 ======================= Grid point 90 (31/120) ======================= q-point: ( 0.00 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 0.000 31.869) 31.869 1.529 ( 0.000 0.000 33.398) 33.398 2.801 ( 0.000 0.000 8.742) 8.742 2.838 ( 0.000 0.000 62.803) 62.803 3.169 ( 0.000 0.000 30.812) 30.812 3.271 ( 0.000 0.000 -4.740) 4.740 4.337 ( 0.000 0.000 -8.736) 8.736 4.675 ( 0.000 0.000 14.813) 14.813 5.299 ( 0.000 0.000 37.189) 37.189 5.889 ( 0.000 0.000 50.577) 50.577 5.943 ( 0.000 0.000 -5.934) 5.934 6.055 ( 0.000 0.000 18.290) 18.290 6.139 ( 0.000 0.000 2.011) 2.011 6.151 ( 0.000 0.000 24.170) 24.170 6.924 ( 0.000 0.000 7.878) 7.878 6.936 ( 0.000 0.000 -2.709) 2.709 8.026 ( 0.000 0.000 -2.214) 2.214 8.353 ( 0.000 0.000 -2.361) 2.361 8.385 ( 0.000 0.000 0.381) 0.381 9.324 ( 0.000 0.000 -12.176) 12.176 9.521 ( 0.000 0.000 -24.659) 24.659 9.845 ( 0.000 0.000 -9.774) 9.774 9.963 ( 0.000 0.000 38.109) 38.109 10.686 ( 0.000 0.000 -12.172) 12.172 10.982 ( 0.000 0.000 -3.552) 3.552 11.162 ( 0.000 0.000 -6.776) 6.776 11.351 ( 0.000 0.000 -6.836) 6.836 11.369 ( 0.000 0.000 -5.356) 5.356 11.432 ( 0.000 0.000 26.855) 26.855 11.977 ( 0.000 0.000 25.871) 25.871 12.922 ( 0.000 0.000 4.872) 4.872 12.975 ( 0.000 0.000 -0.739) 0.739 13.109 ( 0.000 0.000 11.853) 11.853 13.534 ( 0.000 0.000 -9.045) 9.045 14.069 ( 0.000 0.000 -12.631) 12.631 14.882 ( 0.000 0.000 -3.117) 3.117 15.312 ( 0.000 0.000 -2.688) 2.688 16.790 ( 0.000 0.000 -11.189) 11.189 17.134 ( 0.000 0.000 -9.664) 9.664 17.934 ( 0.000 0.000 -10.858) 10.858 18.946 ( 0.000 0.000 -5.015) 5.015 19.497 ( 0.000 0.000 -6.781) 6.781 ======================= Grid point 91 (32/120) ======================= q-point: ( 0.11 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 31.557 0.000 22.843) 38.957 1.650 ( 11.472 0.000 28.903) 31.096 2.805 ( 0.876 0.000 10.017) 10.055 2.922 ( 8.043 0.000 57.392) 57.953 3.225 ( 4.874 0.000 30.363) 30.751 3.235 ( -2.618 0.000 -1.910) 3.241 4.065 ( -16.855 0.000 -0.354) 16.859 4.968 ( 18.455 0.000 10.638) 21.301 5.225 ( -5.507 0.000 36.001) 36.420 5.822 ( -10.589 0.000 -2.603) 10.904 5.917 ( -10.427 0.000 20.874) 23.334 6.009 ( 6.138 0.000 31.199) 31.797 6.035 ( -3.287 0.000 15.206) 15.557 6.110 ( -4.149 0.000 23.830) 24.189 6.843 ( -7.942 0.000 9.921) 12.709 7.204 ( 20.842 0.000 -4.956) 21.423 8.083 ( 4.727 0.000 -2.526) 5.360 8.292 ( -6.873 0.000 -0.456) 6.888 8.343 ( -0.643 0.000 -2.504) 2.585 9.500 ( 15.598 0.000 -9.123) 18.070 9.684 ( 13.835 0.000 -25.288) 28.826 9.800 ( -4.889 0.000 -10.085) 11.208 9.874 ( -8.071 0.000 37.715) 38.569 10.628 ( -6.612 0.000 -11.382) 13.163 11.008 ( 3.410 0.000 -0.403) 3.434 11.146 ( -1.308 0.000 -6.303) 6.437 11.362 ( 0.838 0.000 -2.351) 2.496 11.434 ( 5.058 0.000 1.629) 5.313 11.463 ( 4.396 0.000 16.053) 16.644 11.960 ( -2.101 0.000 27.443) 27.523 12.690 ( -20.995 0.000 5.251) 21.641 13.012 ( 2.746 0.000 -0.774) 2.853 13.046 ( -3.245 0.000 18.106) 18.395 13.443 ( -8.218 0.000 -7.956) 11.438 13.924 ( -12.114 0.000 -8.436) 14.762 15.080 ( 17.275 0.000 -6.562) 18.479 15.215 ( -9.714 0.000 -2.416) 10.010 16.813 ( 2.250 0.000 -11.639) 11.854 17.150 ( 1.072 0.000 -10.088) 10.145 17.876 ( -6.026 0.000 -13.890) 15.140 18.968 ( 2.125 0.000 -5.920) 6.290 19.477 ( -1.931 0.000 -6.873) 7.139 ======================= Grid point 92 (33/120) ======================= q-point: ( 0.22 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 15.389 0.000 19.233) 24.632 2.225 ( 27.449 0.000 18.755) 33.244 2.856 ( 4.814 0.000 12.437) 13.336 3.079 ( 5.713 0.000 30.315) 30.848 3.210 ( -1.499 0.000 9.222) 9.343 3.318 ( 3.639 0.000 31.114) 31.326 3.869 ( 2.186 0.000 8.200) 8.486 5.138 ( -0.881 0.000 22.650) 22.668 5.277 ( 10.175 0.000 23.622) 25.720 5.578 ( -13.506 0.000 -1.356) 13.574 5.669 ( -10.052 0.000 23.139) 25.228 5.890 ( -12.298 0.000 9.353) 15.451 6.000 ( -6.527 0.000 26.536) 27.327 6.315 ( 21.477 0.000 25.221) 33.126 6.644 ( -11.254 0.000 16.640) 20.089 7.595 ( 16.790 0.000 -6.126) 17.873 8.128 ( -1.982 0.000 -3.892) 4.368 8.222 ( 1.991 0.000 -1.238) 2.345 8.363 ( 3.024 0.000 -2.119) 3.692 9.599 ( -15.317 0.000 3.035) 15.615 9.740 ( -4.650 0.000 23.608) 24.061 9.823 ( 14.683 0.000 1.378) 14.747 9.937 ( 9.507 0.000 -24.216) 26.015 10.436 ( -11.990 0.000 -7.692) 14.245 11.110 ( 6.123 0.000 4.491) 7.593 11.130 ( -0.135 0.000 -5.351) 5.352 11.375 ( 0.985 0.000 12.002) 12.042 11.500 ( 3.192 0.000 22.847) 23.068 11.649 ( 12.471 0.000 -13.222) 18.175 11.871 ( -6.660 0.000 27.424) 28.221 12.366 ( -7.956 0.000 -2.175) 8.248 12.969 ( -10.505 0.000 -6.334) 12.267 12.975 ( -4.485 0.000 17.771) 18.329 13.317 ( -2.640 0.000 -0.475) 2.682 13.689 ( -9.139 0.000 -2.828) 9.566 14.957 ( -15.726 0.000 -1.085) 15.763 15.476 ( 22.147 0.000 -10.138) 24.358 16.876 ( 4.154 0.000 -12.815) 13.471 17.144 ( -2.469 0.000 -10.880) 11.156 17.706 ( -10.788 0.000 -17.525) 20.579 19.023 ( 3.363 0.000 -7.648) 8.354 19.425 ( -3.287 0.000 -7.180) 7.896 ======================= Grid point 93 (34/120) ======================= q-point: ( 0.33 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 12.126 0.000 10.240) 15.871 2.605 ( 9.746 0.000 16.572) 19.225 3.007 ( 10.455 0.000 14.373) 17.773 3.083 ( -4.711 0.000 25.622) 26.051 3.211 ( 6.274 0.000 5.305) 8.216 3.343 ( -1.241 0.000 33.472) 33.495 4.175 ( 22.915 0.000 8.883) 24.576 5.123 ( -2.390 0.000 3.306) 4.079 5.305 ( -14.630 0.000 -2.076) 14.776 5.379 ( 3.512 0.000 37.373) 37.538 5.568 ( -18.866 0.000 5.924) 19.774 5.650 ( 8.278 0.000 37.088) 38.001 5.859 ( -7.889 0.000 28.983) 30.038 6.424 ( -11.425 0.000 24.886) 27.384 6.795 ( 26.443 0.000 10.968) 28.627 7.823 ( 7.904 0.000 -4.383) 9.038 8.016 ( -8.893 0.000 -4.922) 10.164 8.381 ( -3.721 0.000 -1.792) 4.130 8.409 ( 15.537 0.000 -3.425) 15.910 9.269 ( -16.413 0.000 2.246) 16.566 9.699 ( 0.995 0.000 23.607) 23.628 9.989 ( 1.375 0.000 14.870) 14.933 10.022 ( -0.177 0.000 -11.682) 11.683 10.196 ( -11.733 0.000 -2.533) 12.003 11.131 ( 0.710 0.000 -2.206) 2.318 11.213 ( 3.720 0.000 6.346) 7.357 11.487 ( 11.760 0.000 14.134) 18.387 11.564 ( 3.195 0.000 21.416) 21.653 11.768 ( -3.133 0.000 15.198) 15.518 11.915 ( 13.980 0.000 -17.173) 22.144 12.337 ( 1.997 0.000 -10.459) 10.648 12.656 ( -19.136 0.000 -7.518) 20.560 12.872 ( -5.392 0.000 16.038) 16.920 13.186 ( -11.673 0.000 0.717) 11.695 13.701 ( 9.718 0.000 3.225) 10.239 14.628 ( -17.315 0.000 0.414) 17.320 15.924 ( 23.194 0.000 -12.117) 26.169 16.973 ( 5.771 0.000 -14.397) 15.511 17.029 ( -9.695 0.000 -11.664) 15.168 17.479 ( -11.753 0.000 -18.772) 22.148 19.096 ( 4.092 0.000 -8.756) 9.665 19.352 ( -4.048 0.000 -7.726) 8.722 ======================= Grid point 94 (35/120) ======================= q-point: ( 0.44 0.00 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 9.389 0.000 5.928) 11.103 2.584 ( -8.008 0.000 5.524) 9.728 3.126 ( 7.009 0.000 38.047) 38.687 3.210 ( 6.358 0.000 21.155) 22.090 3.282 ( -2.776 0.000 27.350) 27.491 3.313 ( 1.744 0.000 6.769) 6.990 4.605 ( 20.044 0.000 0.653) 20.054 4.981 ( -18.550 0.000 -2.843) 18.767 5.089 ( 1.940 0.000 3.429) 3.939 5.239 ( -12.962 0.000 5.946) 14.261 5.516 ( 9.041 0.000 36.613) 37.713 5.694 ( -8.894 0.000 31.898) 33.115 5.890 ( 14.749 0.000 36.919) 39.756 6.179 ( -13.867 0.000 31.575) 34.486 7.318 ( 26.155 0.000 2.275) 26.254 7.764 ( -17.868 0.000 -3.533) 18.214 7.978 ( 9.023 0.000 -2.841) 9.460 8.196 ( -12.752 0.000 -1.487) 12.838 8.734 ( 15.874 0.000 -3.828) 16.329 9.001 ( -11.966 0.000 -0.938) 12.003 9.781 ( 6.925 0.000 23.396) 24.399 9.936 ( -7.530 0.000 24.300) 25.440 9.963 ( -1.326 0.000 -1.169) 1.768 10.009 ( -6.425 0.000 2.520) 6.901 11.181 ( 3.803 0.000 -0.428) 3.827 11.239 ( -1.212 0.000 3.929) 4.112 11.624 ( 2.935 0.000 18.546) 18.777 11.670 ( -0.483 0.000 18.068) 18.074 11.857 ( 17.723 0.000 0.173) 17.723 12.171 ( 10.586 0.000 -13.005) 16.769 12.261 ( -19.896 0.000 -7.109) 21.128 12.340 ( -3.920 0.000 -14.769) 15.280 12.821 ( 1.891 0.000 11.099) 11.259 12.953 ( -10.511 0.000 3.743) 11.158 13.964 ( 15.706 0.000 3.598) 16.113 14.289 ( -17.170 0.000 2.039) 17.291 16.369 ( 21.873 0.000 -12.900) 25.393 16.760 ( -17.420 0.000 -12.617) 21.509 17.102 ( 7.444 0.000 -16.143) 17.777 17.268 ( -9.565 0.000 -17.856) 20.256 19.181 ( 4.482 0.000 -8.898) 9.963 19.269 ( -4.442 0.000 -8.403) 9.504 ======================= Grid point 99 (36/120) ======================= q-point: ( 0.00 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 16.904 26.907) 31.776 1.520 ( 0.000 3.000 30.577) 30.723 2.655 ( 0.000 -11.863 11.662) 16.635 2.825 ( 0.000 -23.113 11.009) 25.601 3.084 ( 0.000 17.350 53.496) 56.240 3.452 ( 0.000 7.323 16.777) 18.305 4.441 ( 0.000 10.082 -6.860) 12.194 4.802 ( 0.000 10.863 13.121) 17.034 5.173 ( 0.000 -3.605 38.996) 39.163 5.714 ( 0.000 -18.934 -5.081) 19.604 5.758 ( 0.000 -11.841 46.709) 48.186 6.019 ( 0.000 -5.073 18.081) 18.779 6.148 ( 0.000 1.088 24.875) 24.899 6.475 ( 0.000 22.866 -0.663) 22.876 6.548 ( 0.000 -18.766 10.681) 21.593 7.178 ( 0.000 6.775 -1.645) 6.972 8.175 ( 0.000 9.177 -3.504) 9.824 8.296 ( 0.000 -4.292 -2.466) 4.950 8.419 ( 0.000 6.120 -2.858) 6.754 9.344 ( 0.000 -12.539 -21.251) 24.675 9.511 ( 0.000 16.313 -9.133) 18.696 9.989 ( 0.000 9.833 8.027) 12.693 10.071 ( 0.000 10.220 13.799) 17.172 10.643 ( 0.000 -4.235 -12.480) 13.179 10.823 ( 0.000 -14.248 -2.118) 14.405 10.982 ( 0.000 -15.983 -1.770) 16.081 11.308 ( 0.000 -2.093 2.742) 3.450 11.366 ( 0.000 -1.305 -2.453) 2.778 11.515 ( 0.000 6.033 17.741) 18.738 11.931 ( 0.000 -4.564 25.350) 25.758 12.897 ( 0.000 -5.195 3.224) 6.114 12.911 ( 0.000 -1.265 6.507) 6.628 13.213 ( 0.000 10.130 10.449) 14.553 13.592 ( 0.000 5.506 -9.974) 11.393 14.037 ( 0.000 -3.105 -12.229) 12.618 14.548 ( 0.000 -25.537 6.745) 26.412 15.465 ( 0.000 12.693 -2.944) 13.029 16.533 ( 0.000 -17.811 -8.940) 19.929 17.367 ( 0.000 15.478 -12.135) 19.668 17.993 ( 0.000 1.525 -17.571) 17.637 19.022 ( 0.000 7.279 -5.993) 9.428 19.465 ( 0.000 -3.144 -7.188) 7.846 ======================= Grid point 100 (37/120) ======================= q-point: ( 0.11 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 12.819 0.947 27.714) 30.550 1.778 ( 26.242 13.528 20.329) 35.846 2.634 ( 0.233 -15.643 11.081) 19.171 2.936 ( 8.754 -14.003 13.008) 21.022 3.140 ( 5.257 12.944 47.562) 49.571 3.406 ( -3.952 6.339 19.006) 20.421 4.195 ( -16.375 12.235 -0.516) 20.448 5.017 ( 11.384 2.268 15.764) 19.577 5.178 ( 2.642 3.060 33.384) 33.628 5.550 ( -12.814 -19.916 0.272) 23.683 5.831 ( 5.385 -10.251 34.756) 36.634 5.969 ( -4.489 -0.539 19.981) 20.486 6.109 ( -3.402 1.540 25.221) 25.496 6.309 ( -6.880 9.681 10.703) 15.988 6.805 ( 10.467 -2.370 4.940) 11.815 7.147 ( 1.570 0.141 -3.095) 3.473 8.155 ( -2.425 -0.271 -2.493) 3.488 8.268 ( -2.574 -5.473 -0.779) 6.098 8.445 ( 3.911 16.597 -6.290) 18.175 9.479 ( 9.368 -12.873 -15.821) 22.445 9.645 ( 12.141 13.307 -8.043) 19.727 9.933 ( -5.110 8.731 15.264) 18.312 10.022 ( -3.858 11.059 2.685) 12.017 10.586 ( -6.607 -4.146 -12.054) 14.358 10.843 ( 2.828 -14.355 0.814) 14.654 10.982 ( 0.375 -14.891 -1.344) 14.957 11.332 ( 2.423 -0.968 4.562) 5.256 11.435 ( 6.658 -1.251 -3.708) 7.723 11.537 ( 2.228 5.661 16.851) 17.915 11.914 ( -1.866 -4.346 26.275) 26.697 12.692 ( -15.771 0.974 5.660) 16.784 12.932 ( -0.896 -4.293 8.058) 9.174 13.203 ( 0.353 11.068 9.677) 14.706 13.486 ( -10.032 4.524 -9.145) 14.308 13.888 ( -10.890 -2.837 -6.882) 13.191 14.711 ( 9.405 -24.833 -0.435) 26.558 15.452 ( 0.877 14.928 -3.685) 15.401 16.560 ( 2.844 -17.854 -9.179) 20.276 17.363 ( -0.742 14.354 -12.385) 18.973 17.924 ( -6.794 1.532 -17.989) 19.290 19.035 ( 1.365 6.411 -6.679) 9.358 19.448 ( -1.715 -2.968 -7.301) 8.066 ======================= Grid point 101 (38/120) ======================= q-point: ( 0.22 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 16.744 -0.311 19.979) 26.070 2.326 ( 25.520 9.400 16.995) 32.070 2.707 ( 7.385 -13.946 12.360) 20.044 3.103 ( 7.230 -3.882 9.279) 12.387 3.235 ( 2.159 5.424 31.929) 32.458 3.334 ( -2.842 2.202 25.605) 25.856 3.961 ( -4.092 9.266 6.755) 12.175 5.062 ( -5.855 -9.454 10.620) 15.377 5.298 ( 2.067 -0.069 31.878) 31.945 5.387 ( 4.012 -5.440 18.415) 19.617 5.731 ( -11.485 3.629 9.524) 15.355 5.937 ( -6.719 -1.952 21.310) 22.429 6.032 ( -5.095 3.111 25.543) 26.232 6.329 ( 11.755 0.610 23.197) 26.012 6.782 ( -5.683 12.323 7.736) 15.620 7.394 ( 18.073 -12.427 -5.001) 22.496 8.070 ( -3.799 -3.998 -1.287) 5.663 8.272 ( 0.709 -7.314 -2.715) 7.834 8.519 ( 2.959 20.379 -6.200) 21.506 9.509 ( -8.486 -8.149 -0.012) 11.766 9.810 ( -3.474 6.829 13.976) 15.938 9.910 ( 9.380 7.597 3.696) 12.624 9.992 ( 1.258 4.690 -10.354) 11.436 10.400 ( -11.204 -3.416 -7.045) 13.668 10.935 ( 6.250 -13.146 3.754) 15.033 11.002 ( 1.355 -11.817 -1.261) 11.961 11.409 ( 5.751 3.025 9.354) 11.390 11.566 ( 4.413 4.005 13.788) 15.021 11.647 ( 10.871 -0.095 -5.064) 11.993 11.853 ( -3.919 -1.900 25.068) 25.443 12.432 ( -8.054 5.987 -0.170) 10.036 12.873 ( -5.161 -4.990 9.429) 11.851 13.147 ( -11.073 10.758 0.931) 15.466 13.311 ( -4.017 0.021 -1.111) 4.168 13.689 ( -7.506 1.139 -2.421) 7.969 14.727 ( -8.025 -19.986 -1.350) 21.579 15.611 ( 15.697 12.018 -7.708) 21.219 16.646 ( 5.878 -16.582 -10.439) 20.457 17.317 ( -4.466 11.708 -13.050) 18.092 17.742 ( -11.396 1.490 -18.679) 21.932 19.073 ( 2.455 4.719 -7.943) 9.560 19.401 ( -2.905 -2.441 -7.530) 8.432 ======================= Grid point 102 (39/120) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 14.938 2.275 11.894) 19.230 2.683 ( 9.275 6.898 15.415) 19.267 2.902 ( 11.346 -8.840 16.610) 21.972 3.183 ( -2.700 6.589 23.025) 24.101 3.222 ( 4.576 0.967 2.670) 5.385 3.305 ( -0.909 -2.996 33.454) 33.601 4.071 ( 11.873 -6.181 7.418) 15.304 4.835 ( -14.493 -21.309 0.204) 25.772 5.376 ( 6.111 3.445 36.094) 36.770 5.505 ( -8.574 9.449 8.059) 15.091 5.561 ( 6.238 0.737 23.494) 24.319 5.722 ( -10.405 2.209 22.787) 25.148 5.927 ( -4.168 6.930 28.042) 29.185 6.436 ( -5.715 -0.199 24.364) 25.026 6.914 ( 21.206 11.914 5.673) 24.976 7.706 ( 11.876 -7.072 -4.802) 14.632 8.040 ( -0.305 -3.158 -2.196) 3.859 8.269 ( -0.656 -8.004 -3.332) 8.694 8.528 ( -1.803 10.790 -4.733) 11.919 9.239 ( -16.124 -3.795 1.169) 16.606 9.765 ( 0.345 6.190 17.091) 18.181 9.990 ( -2.287 -0.734 -3.204) 4.004 10.013 ( 0.044 0.395 16.981) 16.986 10.187 ( -9.902 -1.066 0.464) 9.970 11.035 ( 2.671 -7.988 -1.294) 8.521 11.070 ( 6.173 -9.904 -0.267) 11.673 11.554 ( 7.562 4.841 15.231) 17.680 11.671 ( 8.420 7.675 15.555) 19.281 11.775 ( -1.757 0.412 17.826) 17.917 11.915 ( 13.562 -0.367 -14.374) 19.765 12.372 ( -0.089 3.729 -8.569) 9.345 12.713 ( -12.380 2.563 -0.796) 12.667 12.890 ( -10.833 3.098 8.202) 13.937 13.166 ( -11.815 -1.861 -0.620) 11.976 13.694 ( 7.487 0.703 2.716) 7.995 14.485 ( -14.742 -13.481 0.244) 19.978 15.993 ( 21.640 7.022 -10.976) 25.260 16.777 ( 6.729 -12.797 -11.909) 18.732 17.177 ( -9.482 8.656 -14.186) 19.133 17.499 ( -12.832 0.764 -18.748) 22.732 19.129 ( 3.224 3.051 -8.738) 9.801 19.338 ( -3.432 -1.481 -7.903) 8.742 ======================= Grid point 103 (40/120) ======================= q-point: ( 0.44 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 11.322 6.159 6.730) 14.540 2.667 ( -7.877 7.191 5.542) 12.019 3.102 ( 8.483 -2.405 31.785) 32.986 3.210 ( 0.379 -0.450 32.971) 32.976 3.276 ( 0.986 0.159 18.952) 18.978 3.306 ( 1.890 -0.482 7.142) 7.404 4.307 ( 11.628 -19.601 1.672) 22.851 4.551 ( -13.773 -24.109 0.667) 27.774 5.369 ( -2.527 10.986 7.801) 13.709 5.412 ( -5.437 6.604 13.294) 15.808 5.566 ( 4.762 4.766 30.682) 31.413 5.677 ( -4.177 -1.713 34.981) 35.271 5.996 ( 12.006 10.653 30.277) 34.269 6.249 ( -11.976 6.359 26.912) 30.135 7.400 ( 25.442 7.936 1.053) 26.672 7.783 ( -8.317 2.060 -3.851) 9.394 8.020 ( 1.528 2.314 -2.936) 4.038 8.153 ( -10.314 -4.035 -1.515) 11.178 8.627 ( 13.339 -8.201 -3.658) 16.080 8.929 ( -15.798 -7.152 -2.213) 17.482 9.825 ( 5.179 4.031 20.041) 21.088 9.939 ( -4.976 0.143 8.083) 9.493 9.957 ( -0.653 0.222 21.821) 21.832 10.024 ( -6.363 0.647 4.843) 8.023 11.100 ( 3.413 -6.421 -3.593) 8.111 11.137 ( 0.385 -7.819 -1.041) 7.898 11.657 ( 3.805 3.490 19.090) 19.776 11.719 ( -2.513 2.999 20.846) 21.210 11.961 ( 17.725 8.116 1.581) 19.559 12.166 ( 9.333 -0.574 -11.666) 14.951 12.323 ( -7.628 4.517 -9.764) 13.188 12.420 ( -13.171 8.913 -11.142) 19.418 12.797 ( 1.576 -2.626 9.696) 10.168 12.929 ( -10.682 -2.453 2.267) 11.192 13.907 ( 13.206 -4.441 2.925) 14.237 14.188 ( -15.118 -9.155 1.655) 17.752 16.419 ( 21.151 4.796 -12.283) 24.925 16.774 ( -12.257 0.038 -11.852) 17.050 17.077 ( 4.708 -1.029 -16.743) 17.423 17.258 ( -11.449 -1.385 -17.768) 21.183 19.197 ( 3.622 1.441 -8.809) 9.633 19.269 ( -3.645 -0.123 -8.408) 9.165 ======================= Grid point 108 (41/120) ======================= q-point: ( 0.00 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.000 20.327 17.163) 26.604 1.843 ( 0.000 22.202 18.501) 28.900 2.294 ( 0.000 -27.036 10.306) 28.934 2.313 ( 0.000 -20.425 14.579) 25.094 3.402 ( 0.000 11.422 41.838) 43.369 3.523 ( 0.000 -0.772 28.227) 28.237 4.739 ( 0.000 18.228 -3.856) 18.632 5.002 ( 0.000 3.968 19.497) 19.897 5.292 ( 0.000 -6.807 0.776) 6.851 5.361 ( 0.000 11.567 27.644) 29.967 5.451 ( 0.000 -16.422 38.727) 42.065 5.769 ( 0.000 -19.225 14.954) 24.356 6.183 ( 0.000 2.470 25.007) 25.128 6.270 ( 0.000 -7.367 22.548) 23.721 6.913 ( 0.000 18.289 -4.035) 18.728 7.179 ( 0.000 -6.888 -4.143) 8.038 8.231 ( 0.000 -1.263 -1.470) 1.938 8.235 ( 0.000 -0.687 -0.732) 1.004 8.702 ( 0.000 17.627 -11.643) 21.126 9.050 ( 0.000 -15.842 -15.744) 22.335 9.945 ( 0.000 24.406 -10.505) 26.571 10.232 ( 0.000 14.374 23.350) 27.419 10.309 ( 0.000 11.606 -7.657) 13.904 10.440 ( 0.000 -21.657 -7.626) 22.960 10.519 ( 0.000 -9.024 -13.151) 15.949 10.584 ( 0.000 -20.027 16.701) 26.077 11.291 ( 0.000 0.439 4.415) 4.436 11.322 ( 0.000 -2.349 2.534) 3.456 11.653 ( 0.000 7.233 17.590) 19.019 11.804 ( 0.000 -7.218 21.475) 22.656 12.842 ( 0.000 0.025 5.929) 5.929 12.872 ( 0.000 -2.183 6.948) 7.283 13.505 ( 0.000 17.250 9.279) 19.587 13.713 ( 0.000 3.380 -8.564) 9.207 13.951 ( 0.000 -4.649 -10.080) 11.100 14.042 ( 0.000 -20.123 9.344) 22.187 15.780 ( 0.000 17.341 -4.639) 17.951 16.153 ( 0.000 -18.775 -6.752) 19.952 17.674 ( 0.000 13.941 -15.007) 20.484 17.914 ( 0.000 -8.725 -18.036) 20.035 19.204 ( 0.000 9.201 -8.111) 12.266 19.367 ( 0.000 -6.454 -8.054) 10.321 ======================= Grid point 109 (42/120) ======================= q-point: ( 0.11 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 6.660 16.247 19.403) 26.169 2.116 ( 17.496 10.359 10.766) 23.007 2.237 ( 5.850 -13.065 16.856) 22.114 2.575 ( 16.629 -20.068 11.123) 28.337 3.393 ( -0.962 8.878 38.189) 39.219 3.478 ( -4.188 0.206 26.834) 27.160 4.538 ( -15.284 20.396 -1.280) 25.520 4.959 ( -9.622 -15.703 4.994) 19.082 5.255 ( 1.681 2.047 29.083) 29.204 5.366 ( 2.711 6.289 33.415) 34.109 5.615 ( 11.958 -4.171 23.682) 26.855 5.831 ( 2.636 -13.241 12.418) 18.343 6.155 ( -2.369 3.118 25.245) 25.547 6.258 ( -1.081 -7.469 21.805) 23.074 6.965 ( 5.409 13.144 -3.791) 14.710 7.150 ( -2.400 -3.400 -4.109) 5.848 8.118 ( -6.301 -1.044 -2.042) 6.705 8.155 ( -6.422 -4.444 -0.326) 7.816 8.836 ( 9.144 19.050 -10.650) 23.663 9.191 ( 9.819 -15.539 -12.830) 22.416 9.995 ( 3.515 19.158 -5.242) 20.170 10.177 ( -4.659 14.749 14.302) 21.067 10.218 ( -7.450 4.849 -0.393) 8.898 10.457 ( -6.369 -9.007 -11.738) 16.108 10.517 ( 6.476 -13.382 -3.500) 15.273 10.611 ( 3.980 -18.065 10.419) 21.231 11.339 ( 4.987 1.552 4.458) 6.866 11.387 ( 6.503 -2.817 1.521) 7.248 11.665 ( 1.118 6.561 17.117) 18.365 11.799 ( -0.444 -6.407 21.378) 22.322 12.746 ( -8.265 3.983 6.380) 11.175 12.839 ( -3.685 -4.747 7.615) 9.701 13.452 ( -4.445 11.421 5.990) 13.641 13.581 ( -11.768 0.941 -5.187) 12.895 13.879 ( -2.268 6.085 -4.211) 7.740 14.204 ( 7.554 -22.684 0.980) 23.929 15.793 ( 2.392 18.054 -5.075) 18.906 16.176 ( 2.830 -19.050 -6.951) 20.475 17.648 ( -2.872 12.823 -15.286) 20.158 17.863 ( -5.255 -7.419 -18.091) 20.247 19.199 ( -0.359 8.504 -8.133) 11.772 19.353 ( -1.285 -6.234 -8.072) 10.280 ======================= Grid point 110 (43/120) ======================= q-point: ( 0.22 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 15.603 11.443 17.037) 25.781 2.335 ( 12.001 -18.548 12.032) 25.156 2.594 ( 20.506 14.328 15.933) 29.659 2.899 ( 15.079 -13.910 11.969) 23.752 3.359 ( -2.570 4.253 27.639) 28.082 3.384 ( -4.738 1.454 23.528) 24.044 4.252 ( -12.489 18.749 2.922) 22.717 4.689 ( -15.410 -22.482 0.595) 27.263 5.368 ( 7.145 7.419 44.631) 45.804 5.442 ( 5.173 2.761 34.697) 35.189 5.749 ( -2.396 -0.537 10.069) 10.364 5.818 ( -2.946 -6.985 15.630) 17.372 6.127 ( -0.015 6.192 24.784) 25.546 6.271 ( 4.168 -6.503 23.970) 25.183 7.055 ( 2.922 11.780 -1.546) 12.235 7.219 ( 12.421 -5.643 -5.372) 14.663 8.008 ( -4.166 -0.419 -1.275) 4.377 8.094 ( -0.797 -8.176 -1.867) 8.425 8.939 ( -0.000 19.262 -8.484) 21.047 9.282 ( -2.626 -13.977 -6.239) 15.530 9.983 ( -4.548 8.326 5.962) 11.205 10.051 ( -6.567 2.730 -10.049) 12.311 10.130 ( -2.378 9.356 24.523) 26.354 10.299 ( -8.676 -6.511 2.690) 11.176 10.690 ( 10.638 -7.438 -3.141) 13.355 10.740 ( 8.332 -10.982 -6.592) 15.280 11.486 ( 9.759 4.200 6.279) 12.341 11.567 ( 11.243 -3.187 1.356) 11.765 11.701 ( 3.023 4.567 13.647) 14.705 11.791 ( 0.005 -3.960 19.017) 19.425 12.584 ( -6.902 8.138 4.185) 11.462 12.746 ( -5.167 -7.376 8.186) 12.170 13.320 ( -14.411 3.693 -4.566) 15.562 13.334 ( -8.337 1.763 0.513) 8.536 13.829 ( -2.581 14.769 -0.581) 15.004 14.252 ( -2.714 -24.070 -0.048) 24.222 15.918 ( 10.878 17.043 -7.211) 21.466 16.283 ( 8.298 -18.212 -8.357) 21.688 17.549 ( -7.530 10.192 -15.767) 20.228 17.709 ( -10.263 -4.959 -18.112) 21.400 19.196 ( 0.211 6.646 -8.333) 10.661 19.322 ( -1.757 -5.240 -8.114) 9.817 ======================= Grid point 111 (44/120) ======================= q-point: ( 0.33 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 17.329 10.137 13.003) 23.919 2.611 ( 14.350 -14.639 11.547) 23.528 2.907 ( 10.943 10.744 20.990) 25.995 3.124 ( 7.067 -9.093 19.102) 22.305 3.306 ( -2.380 2.295 16.172) 16.506 3.309 ( -2.045 2.826 18.090) 18.424 4.074 ( -5.855 8.356 4.637) 11.207 4.389 ( -15.023 -20.429 2.537) 25.484 5.463 ( 2.738 4.908 38.854) 39.258 5.546 ( 1.575 -2.187 34.457) 34.563 5.646 ( -3.187 3.546 14.349) 15.120 5.705 ( -6.858 -2.717 15.974) 17.595 6.150 ( 3.132 12.957 23.692) 27.184 6.367 ( 2.782 -7.121 23.911) 25.103 7.233 ( 16.417 17.158 -1.269) 23.781 7.540 ( 18.576 -11.262 -5.014) 22.295 7.961 ( -0.908 -0.001 -1.280) 1.570 8.079 ( -1.233 -9.462 -2.775) 9.937 8.811 ( -12.730 14.956 -5.979) 20.530 9.087 ( -15.777 -11.064 -3.333) 19.556 9.911 ( -1.438 6.074 -2.435) 6.701 9.974 ( -2.162 -1.009 -0.124) 2.389 10.045 ( -5.337 3.378 33.357) 33.950 10.140 ( -7.441 -3.955 19.397) 21.148 10.885 ( 7.714 -4.492 -6.336) 10.947 10.899 ( 7.420 -5.536 -11.595) 14.837 11.664 ( 5.831 5.353 20.315) 21.803 11.749 ( 3.280 -2.328 25.022) 25.343 11.814 ( 11.078 4.809 -1.561) 12.178 11.888 ( 12.892 -2.365 -9.147) 15.983 12.496 ( -2.345 7.984 -0.652) 8.347 12.660 ( -3.052 -6.758 7.190) 10.329 13.015 ( -16.757 6.655 -4.061) 18.482 13.114 ( -13.659 -3.311 -2.971) 14.365 13.805 ( 0.494 11.292 1.890) 11.459 14.133 ( -8.148 -18.855 0.703) 20.552 16.204 ( 17.337 12.907 -9.980) 23.807 16.491 ( 12.308 -14.561 -10.464) 21.749 17.351 ( -12.404 7.727 -16.181) 21.804 17.472 ( -13.561 -3.689 -17.894) 22.754 19.208 ( 0.954 4.244 -8.562) 9.604 19.289 ( -1.616 -3.352 -8.239) 9.040 ======================= Grid point 112 (45/120) ======================= q-point: ( 0.44 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 12.225 9.219 8.161) 17.350 2.776 ( -0.135 -0.774 5.914) 5.966 3.071 ( 7.304 2.196 32.632) 33.511 3.165 ( -1.801 -4.147 37.583) 37.854 3.303 ( 0.960 1.445 7.974) 8.161 3.307 ( 1.236 0.656 4.784) 4.985 4.012 ( 0.069 -6.120 4.426) 7.553 4.121 ( -11.021 -15.623 4.310) 19.599 5.487 ( -0.128 2.304 19.694) 19.829 5.497 ( -2.197 2.288 13.806) 14.165 5.621 ( -0.931 0.433 31.779) 31.795 5.636 ( -0.995 -1.603 36.322) 36.371 6.255 ( 6.485 11.104 21.977) 25.462 6.357 ( -3.320 1.512 21.687) 21.992 7.633 ( 21.206 13.997 -2.112) 25.497 7.839 ( 6.035 0.728 -5.460) 8.171 7.969 ( 2.176 -5.591 -1.107) 6.101 8.038 ( -3.535 -7.240 -2.624) 8.474 8.557 ( -6.173 4.049 -3.353) 8.107 8.733 ( -18.227 -10.769 -3.547) 21.466 9.920 ( 1.434 3.973 0.047) 4.224 9.945 ( -0.881 0.336 4.358) 4.459 9.970 ( -1.413 1.142 37.470) 37.514 10.015 ( -4.891 -1.801 24.217) 24.771 10.986 ( 2.973 -3.338 -9.269) 10.291 10.997 ( 2.104 -4.463 -8.918) 10.192 11.735 ( 2.343 3.174 23.734) 24.060 11.762 ( -0.468 0.677 24.632) 24.646 12.093 ( 13.073 3.886 -5.865) 14.846 12.144 ( 9.470 -1.651 -11.226) 14.779 12.474 ( 1.014 10.176 -3.984) 10.975 12.628 ( -6.067 5.492 -1.799) 8.379 12.708 ( -6.499 -2.423 1.267) 7.051 12.843 ( -12.582 -6.340 -1.327) 14.152 13.853 ( 4.421 0.924 1.929) 4.911 13.973 ( -7.556 -9.938 1.387) 12.561 16.553 ( 16.836 7.764 -11.382) 21.755 16.708 ( 5.840 -6.381 -11.070) 14.048 17.112 ( -8.155 4.110 -17.420) 19.668 17.202 ( -12.850 -3.949 -17.591) 22.140 19.231 ( 1.339 1.665 -8.589) 8.851 19.259 ( -1.463 -0.936 -8.435) 8.612 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 0.000 30.211) 30.211 2.137 ( 0.000 0.000 25.128) 25.128 3.071 ( 0.000 0.000 17.756) 17.756 3.223 ( 0.000 0.000 0.145) 0.145 3.771 ( 0.000 0.000 26.450) 26.450 4.036 ( 0.000 0.000 53.551) 53.551 4.127 ( 0.000 0.000 -11.122) 11.122 5.004 ( 0.000 0.000 16.392) 16.392 5.751 ( 0.000 0.000 2.742) 2.742 5.770 ( 0.000 0.000 -9.905) 9.905 6.449 ( 0.000 0.000 19.665) 19.665 6.574 ( 0.000 0.000 43.011) 43.011 6.706 ( 0.000 0.000 27.852) 27.852 6.845 ( 0.000 0.000 -5.880) 5.880 6.985 ( 0.000 0.000 53.998) 53.998 7.189 ( 0.000 0.000 17.184) 17.184 7.990 ( 0.000 0.000 -1.089) 1.089 8.311 ( 0.000 0.000 -1.373) 1.373 8.406 ( 0.000 0.000 1.861) 1.861 8.872 ( 0.000 0.000 -24.465) 24.465 9.213 ( 0.000 0.000 -11.911) 11.911 9.594 ( 0.000 0.000 -13.393) 13.393 10.311 ( 0.000 0.000 -22.514) 22.514 10.583 ( 0.000 0.000 22.301) 22.301 10.772 ( 0.000 0.000 -13.641) 13.641 10.993 ( 0.000 0.000 -9.620) 9.620 11.218 ( 0.000 0.000 -4.687) 4.687 11.481 ( 0.000 0.000 12.019) 12.019 12.069 ( 0.000 0.000 30.542) 30.542 12.549 ( 0.000 0.000 28.548) 28.548 12.946 ( 0.000 0.000 -1.091) 1.091 12.951 ( 0.000 0.000 -1.527) 1.527 13.308 ( 0.000 0.000 -12.335) 12.335 13.406 ( 0.000 0.000 14.999) 14.999 13.787 ( 0.000 0.000 -13.512) 13.512 14.802 ( 0.000 0.000 -4.731) 4.731 15.251 ( 0.000 0.000 -3.043) 3.043 16.523 ( 0.000 0.000 -14.434) 14.434 16.887 ( 0.000 0.000 -14.226) 14.226 17.646 ( 0.000 0.000 -17.135) 17.135 18.838 ( 0.000 0.000 -5.275) 5.275 19.370 ( 0.000 0.000 -5.290) 5.290 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 20.592 0.000 24.334) 31.877 2.188 ( 4.813 0.000 22.563) 23.070 3.086 ( 1.815 0.000 17.770) 17.862 3.214 ( -0.421 0.000 1.874) 1.920 3.832 ( 5.733 0.000 27.042) 27.643 3.916 ( -12.125 0.000 10.958) 16.343 4.148 ( 4.706 0.000 34.414) 34.735 5.193 ( 15.193 0.000 11.316) 18.944 5.601 ( -10.685 0.000 2.625) 11.003 5.696 ( -7.273 0.000 -8.253) 11.001 6.363 ( -9.104 0.000 16.579) 18.914 6.513 ( -3.840 0.000 44.775) 44.939 6.669 ( -3.279 0.000 28.201) 28.391 7.007 ( 2.308 0.000 51.541) 51.593 7.081 ( 18.819 0.000 -5.774) 19.685 7.154 ( -3.107 0.000 19.466) 19.712 8.041 ( 3.829 0.000 -1.393) 4.075 8.283 ( -7.963 0.000 -0.525) 7.980 8.299 ( -0.648 0.000 -1.434) 1.574 9.102 ( 18.674 0.000 -21.983) 28.844 9.351 ( 12.724 0.000 -12.844) 18.079 9.561 ( -3.586 0.000 -12.733) 13.229 10.211 ( -9.463 0.000 -14.473) 17.292 10.562 ( -3.073 0.000 14.050) 14.382 10.826 ( 6.688 0.000 -11.503) 13.306 10.988 ( -0.227 0.000 -9.004) 9.007 11.269 ( 5.121 0.000 -3.937) 6.459 11.507 ( 2.182 0.000 10.672) 10.893 12.072 ( 0.579 0.000 29.731) 29.737 12.541 ( -0.872 0.000 26.779) 26.793 12.806 ( -13.199 0.000 5.587) 14.333 12.958 ( -1.869 0.000 -4.815) 5.165 13.262 ( -2.182 0.000 -8.778) 9.045 13.388 ( -1.930 0.000 15.297) 15.418 13.736 ( -4.726 0.000 -8.741) 9.937 14.929 ( 12.080 0.000 -7.946) 14.460 15.157 ( -9.217 0.000 -2.956) 9.679 16.535 ( 1.226 0.000 -14.959) 15.009 16.893 ( 0.271 0.000 -14.723) 14.725 17.551 ( -9.305 0.000 -17.935) 20.205 18.844 ( 0.765 0.000 -5.793) 5.843 19.349 ( -2.061 0.000 -5.301) 5.688 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 6.396 0.000 16.466) 17.665 2.551 ( 20.867 0.000 13.875) 25.059 3.158 ( 5.777 0.000 17.627) 18.549 3.235 ( 3.292 0.000 5.732) 6.610 3.681 ( -8.970 0.000 10.800) 14.040 3.963 ( 6.685 0.000 29.330) 30.082 4.284 ( 8.370 0.000 33.971) 34.987 5.281 ( -7.090 0.000 1.404) 7.228 5.502 ( -12.159 0.000 -5.659) 13.411 5.662 ( 17.442 0.000 11.317) 20.792 6.091 ( -18.097 0.000 10.808) 21.079 6.460 ( -0.920 0.000 47.329) 47.338 6.591 ( -4.595 0.000 29.401) 29.758 7.079 ( 5.244 0.000 44.308) 44.617 7.086 ( -3.594 0.000 24.733) 24.993 7.457 ( 17.714 0.000 -6.186) 18.763 8.053 ( -3.713 0.000 -3.084) 4.827 8.198 ( 0.704 0.000 -0.961) 1.191 8.328 ( 3.421 0.000 -0.994) 3.562 9.434 ( -9.894 0.000 -10.342) 14.313 9.455 ( 14.281 0.000 -21.139) 25.511 9.671 ( 19.567 0.000 -13.148) 23.574 9.993 ( -11.149 0.000 -8.221) 13.852 10.468 ( -5.548 0.000 9.894) 11.343 10.998 ( 1.627 0.000 -7.419) 7.596 11.029 ( 12.775 0.000 -8.512) 15.351 11.411 ( 9.055 0.000 -2.095) 9.294 11.548 ( 1.876 0.000 5.552) 5.860 12.103 ( 2.611 0.000 28.562) 28.681 12.448 ( -14.829 0.000 7.331) 16.542 12.558 ( -4.183 0.000 32.953) 33.218 12.798 ( -13.024 0.000 -9.334) 16.024 13.285 ( 1.486 0.000 -2.774) 3.147 13.323 ( -4.922 0.000 15.466) 16.230 13.649 ( -1.685 0.000 -0.493) 1.756 14.916 ( -14.721 0.000 -2.591) 14.947 15.236 ( 18.523 0.000 -12.825) 22.529 16.571 ( 2.450 0.000 -16.347) 16.530 16.873 ( -2.990 0.000 -15.366) 15.654 17.311 ( -14.203 0.000 -20.508) 24.946 18.872 ( 2.183 0.000 -6.609) 6.960 19.292 ( -3.627 0.000 -5.397) 6.503 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 5.879 0.000 10.559) 12.085 2.773 ( 0.473 0.000 4.392) 4.417 3.308 ( 9.003 0.000 16.129) 18.472 3.356 ( 8.521 0.000 9.608) 12.842 3.671 ( 8.450 0.000 23.164) 24.657 4.064 ( 2.970 0.000 33.620) 33.751 4.448 ( 8.036 0.000 17.685) 19.425 5.167 ( -3.089 0.000 3.446) 4.628 5.231 ( -15.370 0.000 -4.864) 16.121 5.698 ( -20.530 0.000 7.116) 21.728 6.000 ( 14.789 0.000 18.991) 24.070 6.489 ( -5.774 0.000 30.624) 31.163 6.509 ( 6.555 0.000 45.117) 45.590 7.009 ( -4.603 0.000 30.425) 30.771 7.224 ( 9.816 0.000 30.977) 32.495 7.732 ( 10.647 0.000 -3.782) 11.298 7.922 ( -8.851 0.000 -3.780) 9.625 8.340 ( 13.202 0.000 -2.841) 13.504 8.351 ( -3.154 0.000 -0.759) 3.244 9.186 ( -14.027 0.000 -6.325) 15.387 9.632 ( 4.678 0.000 -17.742) 18.348 9.815 ( -6.990 0.000 -8.470) 10.982 10.055 ( 17.579 0.000 -10.162) 20.305 10.380 ( -2.899 0.000 11.080) 11.453 11.055 ( 4.000 0.000 -4.976) 6.385 11.252 ( 7.337 0.000 -2.457) 7.737 11.600 ( 4.683 0.000 -3.820) 6.043 11.612 ( 11.222 0.000 -0.577) 11.237 12.134 ( -14.140 0.000 11.171) 18.020 12.163 ( 2.714 0.000 23.810) 23.964 12.525 ( -13.170 0.000 -2.824) 13.469 12.527 ( -1.109 0.000 29.615) 29.636 13.196 ( -7.534 0.000 14.819) 16.624 13.212 ( -7.581 0.000 2.320) 7.929 13.747 ( 10.526 0.000 1.678) 10.659 14.607 ( -16.222 0.000 -2.086) 16.356 15.631 ( 21.337 0.000 -16.024) 26.684 16.632 ( 3.728 0.000 -18.239) 18.616 16.748 ( -10.564 0.000 -15.398) 18.673 17.037 ( -12.547 0.000 -23.348) 26.506 18.931 ( 3.766 0.000 -6.895) 7.856 19.211 ( -4.616 0.000 -5.680) 7.319 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 6.351 0.000 6.701) 9.232 2.677 ( -7.233 0.000 4.102) 8.316 3.470 ( 6.118 0.000 13.298) 14.638 3.497 ( 3.868 0.000 11.008) 11.668 3.899 ( 11.548 0.000 34.087) 35.990 4.057 ( -4.096 0.000 37.158) 37.383 4.623 ( 11.223 0.000 1.379) 11.307 4.908 ( -16.872 0.000 -4.163) 17.378 5.178 ( 4.399 0.000 5.700) 7.200 5.352 ( -13.625 0.000 5.393) 14.653 6.221 ( 8.547 0.000 28.530) 29.783 6.367 ( -6.730 0.000 31.098) 31.818 6.698 ( 11.083 0.000 39.636) 41.156 6.889 ( -7.961 0.000 35.637) 36.516 7.461 ( 13.693 0.000 13.417) 19.171 7.719 ( -11.928 0.000 -0.041) 11.928 7.931 ( 11.087 0.000 -1.130) 11.144 8.179 ( -12.976 0.000 0.304) 12.979 8.643 ( 15.871 0.000 -4.260) 16.433 8.925 ( -13.038 0.000 -4.576) 13.818 9.678 ( 1.094 0.000 -13.636) 13.679 9.714 ( -3.277 0.000 -10.643) 11.136 10.301 ( 6.889 0.000 -0.539) 6.910 10.355 ( -0.441 0.000 9.087) 9.097 11.152 ( 5.956 0.000 -2.229) 6.359 11.267 ( -4.384 0.000 -0.520) 4.415 11.741 ( 8.152 0.000 -4.365) 9.247 11.832 ( 7.910 0.000 -1.840) 8.121 11.933 ( -3.756 0.000 4.628) 5.961 12.107 ( -10.232 0.000 -1.205) 10.303 12.403 ( 2.529 0.000 24.842) 24.971 12.487 ( -3.551 0.000 28.039) 28.263 13.068 ( -4.078 0.000 12.487) 13.136 13.076 ( -4.698 0.000 8.207) 9.457 13.998 ( 14.289 0.000 0.166) 14.290 14.293 ( -15.708 0.000 -1.256) 15.758 16.055 ( 21.511 0.000 -17.384) 27.658 16.454 ( -18.602 0.000 -16.932) 25.154 16.719 ( 5.294 0.000 -20.345) 21.023 16.844 ( -7.637 0.000 -22.465) 23.728 19.016 ( 4.839 0.000 -6.642) 8.218 19.115 ( -5.077 0.000 -6.147) 7.972 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.000 10.026 26.922) 28.728 2.101 ( 0.000 -1.943 24.918) 24.994 2.951 ( 0.000 -10.494 18.267) 21.067 2.969 ( 0.000 -19.887 6.387) 20.888 3.893 ( 0.000 9.486 20.360) 22.462 4.143 ( 0.000 7.189 47.446) 47.988 4.288 ( 0.000 13.686 -6.183) 15.018 5.091 ( 0.000 8.028 14.291) 16.392 5.560 ( 0.000 -15.946 -4.929) 16.691 5.800 ( 0.000 5.209 10.683) 11.886 6.263 ( 0.000 -16.596 12.746) 20.925 6.678 ( 0.000 3.695 29.576) 29.806 6.780 ( 0.000 10.920 31.645) 33.476 6.792 ( 0.000 -4.931 10.335) 11.451 6.847 ( 0.000 -11.031 46.167) 47.466 7.265 ( 0.000 3.657 15.945) 16.359 8.114 ( 0.000 10.098 -2.343) 10.366 8.245 ( 0.000 -4.112 -2.347) 4.735 8.387 ( 0.000 -1.047 -0.100) 1.052 8.887 ( 0.000 -3.484 -20.162) 20.461 9.287 ( 0.000 11.588 -13.087) 17.480 9.727 ( 0.000 10.852 -14.691) 18.264 10.264 ( 0.000 -4.826 -22.595) 23.104 10.596 ( 0.000 -15.135 -14.805) 21.173 10.632 ( 0.000 4.517 21.540) 22.009 10.981 ( 0.000 -2.248 -2.813) 3.601 11.231 ( 0.000 1.318 -3.504) 3.744 11.440 ( 0.000 -3.684 10.091) 10.742 12.103 ( 0.000 3.288 29.779) 29.960 12.498 ( 0.000 -4.902 27.327) 27.763 12.943 ( 0.000 -0.598 0.992) 1.158 12.978 ( 0.000 2.014 0.223) 2.026 13.362 ( 0.000 5.297 -11.332) 12.509 13.462 ( 0.000 6.120 12.816) 14.202 13.764 ( 0.000 -1.980 -12.943) 13.094 14.582 ( 0.000 -18.141 -1.974) 18.248 15.394 ( 0.000 11.413 -3.839) 12.042 16.315 ( 0.000 -15.104 -12.054) 19.325 17.071 ( 0.000 12.780 -16.372) 20.769 17.627 ( 0.000 -2.486 -18.879) 19.042 18.902 ( 0.000 5.922 -5.571) 8.131 19.330 ( 0.000 -3.799 -5.593) 6.761 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 7.697 -0.639 24.077) 25.285 2.206 ( 16.500 7.023 20.233) 27.036 2.911 ( 1.015 -14.982 15.384) 21.498 3.088 ( 6.881 -10.481 8.798) 15.317 3.895 ( 0.263 6.476 20.858) 21.842 4.034 ( -10.946 8.566 21.730) 25.795 4.259 ( 0.162 8.747 23.258) 24.849 5.240 ( 7.168 0.782 7.550) 10.440 5.443 ( -4.403 -9.238 0.439) 10.243 5.766 ( -2.508 7.971 7.884) 11.489 6.268 ( -2.474 -8.167 20.734) 22.421 6.641 ( -4.424 5.050 29.805) 30.552 6.696 ( -4.764 1.449 28.928) 29.353 6.890 ( 3.963 -8.129 42.196) 43.154 6.954 ( 13.750 -5.979 7.794) 16.898 7.215 ( -4.071 3.119 18.485) 19.184 8.111 ( -1.477 -0.093 -1.566) 2.155 8.259 ( -1.747 -2.102 -0.742) 2.832 8.329 ( 0.742 8.342 -3.934) 9.252 9.076 ( 14.483 -5.776 -18.905) 24.505 9.406 ( 11.330 10.159 -14.391) 20.945 9.699 ( -2.395 10.489 -13.651) 17.381 10.185 ( -7.930 -3.118 -17.694) 19.639 10.591 ( -2.266 -1.478 3.236) 4.218 10.639 ( 2.935 -10.201 0.299) 10.619 11.006 ( 3.038 -1.042 -1.977) 3.771 11.281 ( 5.040 1.102 -2.913) 5.925 11.462 ( 1.914 -3.945 8.438) 9.510 12.106 ( 0.494 3.373 29.079) 29.278 12.498 ( -0.103 -4.368 26.651) 27.007 12.825 ( -10.863 1.979 6.171) 12.649 12.990 ( -0.570 1.256 -1.655) 2.154 13.287 ( -5.767 3.477 -8.848) 11.119 13.444 ( -2.261 5.534 12.345) 13.717 13.716 ( -4.139 -1.186 -8.332) 9.379 14.653 ( 5.082 -19.822 -4.626) 20.979 15.364 ( -1.603 13.771 -4.761) 14.659 16.333 ( 1.889 -14.965 -12.554) 19.625 17.061 ( -1.359 11.651 -16.777) 20.471 17.543 ( -8.287 -1.478 -19.522) 21.260 18.904 ( 0.337 5.524 -5.935) 8.115 19.312 ( -1.837 -3.609 -5.603) 6.913 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 8.422 0.241 17.532) 19.452 2.602 ( 19.085 4.071 11.113) 22.457 3.009 ( 8.857 -11.408 16.589) 21.995 3.210 ( 5.688 -3.858 7.695) 10.318 3.783 ( -9.141 9.265 12.193) 17.835 3.956 ( 3.080 0.093 29.837) 29.996 4.286 ( 1.810 -0.166 27.733) 27.792 5.093 ( -12.833 -16.586 -1.573) 21.030 5.595 ( 4.492 9.582 4.880) 11.654 5.755 ( 5.429 8.477 11.720) 15.450 6.148 ( -8.309 3.785 18.644) 20.760 6.519 ( -5.325 2.212 36.754) 37.203 6.616 ( -4.106 2.333 29.835) 30.207 6.992 ( 5.895 -5.339 35.164) 36.052 7.117 ( -2.025 0.998 26.608) 26.703 7.310 ( 17.963 -9.325 0.502) 20.245 8.047 ( -3.258 -3.773 -0.642) 5.026 8.217 ( -2.150 -3.476 -2.586) 4.837 8.404 ( 4.289 13.127 -4.305) 14.465 9.280 ( 2.070 -9.536 -14.733) 17.672 9.589 ( 2.047 7.811 -16.531) 18.397 9.762 ( 13.980 7.894 -11.184) 19.566 9.998 ( -8.835 -0.097 -13.055) 15.764 10.520 ( -4.123 5.418 11.362) 13.246 10.738 ( 6.346 -16.212 -9.488) 19.827 11.112 ( 7.155 -0.919 1.034) 7.288 11.421 ( 8.785 0.841 -0.576) 8.844 11.508 ( 3.313 -2.824 1.549) 4.620 12.128 ( 1.713 3.080 27.644) 27.867 12.489 ( -1.487 -1.624 19.114) 19.240 12.572 ( -12.732 5.845 20.285) 24.653 12.877 ( -10.890 5.768 -5.886) 13.657 13.213 ( -2.406 -4.400 0.798) 5.078 13.359 ( -6.767 1.314 8.199) 10.712 13.653 ( -0.529 2.155 -0.242) 2.232 14.662 ( -5.992 -19.318 -4.593) 20.741 15.430 ( 10.065 13.929 -9.632) 19.701 16.390 ( 3.942 -13.845 -14.118) 20.163 17.002 ( -5.115 8.989 -17.376) 20.221 17.325 ( -13.239 0.430 -21.420) 25.185 18.921 ( 1.543 4.528 -6.548) 8.109 19.262 ( -3.136 -2.970 -5.658) 7.118 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 7.996 3.802 11.018) 14.135 2.818 ( 1.684 3.311 2.920) 4.725 3.232 ( 12.626 -6.445 15.947) 21.337 3.335 ( 7.324 -2.268 8.827) 11.692 3.744 ( 6.200 6.968 22.851) 24.681 4.017 ( 2.044 -3.606 32.780) 33.041 4.318 ( 1.627 -9.194 18.047) 20.320 4.836 ( -13.460 -19.350 -0.301) 23.573 5.539 ( -5.363 16.355 2.931) 17.459 5.754 ( -11.021 3.898 8.154) 14.253 6.131 ( 8.072 10.197 22.852) 26.293 6.505 ( 0.682 -0.419 42.099) 42.107 6.536 ( -0.206 4.450 29.456) 29.791 6.995 ( -4.577 -1.556 28.381) 28.790 7.225 ( 12.354 1.243 26.381) 29.157 7.634 ( 12.995 -5.715 -0.225) 14.198 8.001 ( -2.625 0.401 -1.315) 2.964 8.196 ( 1.076 -7.908 -3.552) 8.736 8.443 ( -0.229 6.906 -2.838) 7.469 9.132 ( -13.592 -5.944 -7.788) 16.755 9.636 ( 2.349 1.344 -14.757) 15.003 9.815 ( -5.194 -0.481 -10.245) 11.496 10.120 ( 15.086 6.001 -11.310) 19.786 10.454 ( -2.236 7.390 12.604) 14.781 10.869 ( 6.752 -14.186 -8.117) 17.684 11.207 ( 0.471 -7.588 6.351) 9.907 11.590 ( 9.714 2.199 -3.289) 10.489 11.661 ( 11.665 2.440 -3.971) 12.562 12.154 ( -0.305 4.319 21.374) 21.808 12.333 ( -7.537 12.068 12.883) 19.194 12.487 ( -1.661 -2.459 26.754) 26.918 12.633 ( -12.321 8.495 0.941) 14.996 13.129 ( -6.190 -6.759 7.315) 11.726 13.187 ( -9.812 -2.641 7.401) 12.571 13.730 ( 7.843 -0.054 1.251) 7.943 14.455 ( -13.351 -13.808 -2.780) 19.407 15.728 ( 18.757 8.868 -14.503) 25.314 16.486 ( 5.684 -10.859 -16.017) 20.169 16.842 ( -11.560 6.279 -17.975) 22.274 17.059 ( -12.916 1.133 -23.212) 26.587 18.965 ( 2.978 3.192 -6.786) 8.069 19.193 ( -3.846 -1.790 -5.850) 7.226 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 7.127 6.194 6.022) 11.199 2.744 ( -6.590 5.872 2.852) 9.276 3.440 ( 7.103 -2.526 13.447) 15.416 3.469 ( 4.408 -2.485 10.550) 11.701 3.924 ( 8.500 1.844 33.781) 34.882 4.018 ( -1.846 -4.132 35.292) 35.581 4.376 ( 5.657 -16.205 6.583) 18.383 4.569 ( -13.076 -20.072 0.974) 23.975 5.463 ( -1.095 14.833 3.343) 15.244 5.533 ( -8.469 10.866 3.705) 14.266 6.286 ( 6.964 5.886 31.257) 32.560 6.411 ( -5.939 3.989 33.204) 33.966 6.696 ( 10.191 0.636 34.683) 36.155 6.874 ( -7.668 -0.908 31.627) 32.556 7.516 ( 15.818 5.228 12.384) 20.758 7.747 ( -4.234 2.374 1.882) 5.206 7.970 ( 3.573 2.481 -1.502) 4.602 8.134 ( -9.564 -4.465 0.136) 10.556 8.546 ( 12.861 -7.209 -3.332) 15.115 8.840 ( -15.496 -7.856 -4.797) 18.024 9.676 ( 2.280 0.545 -12.232) 12.455 9.733 ( -3.475 0.763 -11.888) 12.409 10.346 ( 7.362 4.630 -1.124) 8.769 10.425 ( -1.660 6.561 8.751) 11.062 11.002 ( 7.018 -12.130 -3.286) 14.394 11.138 ( -6.251 -11.201 2.780) 13.125 11.803 ( 10.225 5.794 -2.941) 12.115 11.878 ( 6.863 3.785 -2.453) 8.212 12.100 ( -0.857 13.138 3.969) 13.751 12.236 ( -8.046 10.498 -1.219) 13.282 12.423 ( -0.405 2.080 25.404) 25.492 12.483 ( -3.927 0.397 28.350) 28.623 13.016 ( -3.727 -5.899 8.730) 11.176 13.027 ( -5.126 -4.326 9.937) 11.989 13.929 ( 11.915 -5.406 -0.295) 13.088 14.183 ( -13.801 -9.748 -1.658) 16.978 16.120 ( 20.459 5.964 -16.628) 27.030 16.490 ( -14.527 2.117 -15.634) 21.446 16.674 ( 4.329 -2.943 -21.664) 22.288 16.836 ( -10.033 -1.231 -22.323) 24.505 19.034 ( 3.916 1.579 -6.595) 7.830 19.114 ( -4.142 -0.177 -6.205) 7.462 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 6.646 18.322) 19.490 2.218 ( 0.000 7.567 16.181) 17.862 2.586 ( 0.000 -11.669 19.228) 22.492 2.690 ( 0.000 -13.611 21.755) 25.662 4.093 ( 0.000 8.753 23.753) 25.314 4.209 ( 0.000 -1.706 34.443) 34.485 4.637 ( 0.000 20.048 -4.090) 20.461 5.072 ( 0.000 -19.683 -3.382) 19.972 5.439 ( 0.000 15.377 11.911) 19.450 5.852 ( 0.000 -21.887 11.213) 24.592 6.052 ( 0.000 18.377 24.583) 30.692 6.472 ( 0.000 -20.671 32.760) 38.737 6.720 ( 0.000 1.735 26.630) 26.687 6.759 ( 0.000 -2.098 24.943) 25.031 7.054 ( 0.000 12.878 23.291) 26.614 7.251 ( 0.000 -5.531 17.325) 18.186 8.206 ( 0.000 0.516 -0.836) 0.982 8.236 ( 0.000 -0.555 0.978) 1.124 8.476 ( 0.000 11.219 -9.560) 14.740 8.721 ( 0.000 -11.104 -14.227) 18.047 9.657 ( 0.000 21.823 -17.214) 27.795 9.974 ( 0.000 12.482 -15.793) 20.130 10.077 ( 0.000 -15.594 -22.376) 27.273 10.245 ( 0.000 -15.850 -14.012) 21.156 10.754 ( 0.000 6.919 18.096) 19.373 10.892 ( 0.000 -6.056 9.285) 11.085 11.274 ( 0.000 2.936 -0.331) 2.955 11.351 ( 0.000 -4.458 4.835) 6.577 12.204 ( 0.000 6.560 28.206) 28.959 12.359 ( 0.000 -7.982 26.976) 28.132 12.951 ( 0.000 1.534 3.417) 3.745 12.987 ( 0.000 -1.226 3.006) 3.246 13.500 ( 0.000 7.161 -9.739) 12.088 13.600 ( 0.000 0.514 -2.148) 2.209 13.788 ( 0.000 10.886 -1.886) 11.048 14.159 ( 0.000 -21.388 1.943) 21.476 15.668 ( 0.000 14.871 -6.125) 16.082 15.989 ( 0.000 -16.170 -9.069) 18.540 17.326 ( 0.000 11.492 -18.598) 21.862 17.525 ( 0.000 -7.575 -19.868) 21.263 19.056 ( 0.000 8.384 -6.219) 10.439 19.218 ( 0.000 -7.006 -6.167) 9.334 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 5.948 6.537 19.241) 21.174 2.343 ( 10.280 -0.945 11.557) 15.496 2.648 ( 8.548 -2.419 21.991) 23.718 2.834 ( 11.751 -13.380 15.765) 23.783 4.048 ( -4.071 7.017 24.767) 26.062 4.137 ( -7.127 -0.462 30.522) 31.346 4.517 ( -9.091 17.763 1.378) 20.002 4.941 ( -11.469 -21.750 -2.667) 24.733 5.595 ( 13.441 16.783 12.771) 25.008 5.940 ( 4.413 -8.957 11.384) 15.143 6.101 ( 5.452 9.457 25.956) 28.158 6.466 ( -1.283 -18.430 28.142) 33.664 6.704 ( -1.212 2.533 27.421) 27.564 6.772 ( 2.354 -4.541 28.236) 28.695 7.061 ( 1.498 10.571 19.210) 21.978 7.219 ( -2.800 -3.761 17.438) 18.057 8.091 ( -6.222 1.016 -0.194) 6.307 8.164 ( -5.940 -5.284 1.544) 8.099 8.610 ( 9.521 14.880 -10.409) 20.505 8.886 ( 11.844 -11.768 -14.290) 21.976 9.727 ( 6.205 18.620 -18.038) 26.657 9.930 ( -3.540 11.017 -13.143) 17.511 10.060 ( -3.190 -9.202 -21.467) 23.573 10.247 ( 2.426 -18.675 -13.791) 23.342 10.744 ( -1.024 8.540 18.275) 20.198 10.918 ( 2.496 -7.277 10.500) 13.017 11.314 ( 4.265 2.196 -0.930) 4.887 11.375 ( 2.574 -3.872 2.722) 5.387 12.211 ( 0.689 6.727 27.911) 28.719 12.366 ( 0.690 -7.833 27.150) 28.266 12.889 ( -5.923 3.986 5.854) 9.232 12.968 ( -2.082 -3.106 3.544) 5.152 13.402 ( -8.416 6.728 -7.265) 12.995 13.514 ( -7.938 -2.437 -1.854) 8.508 13.814 ( 1.653 14.252 -0.515) 14.357 14.211 ( 3.318 -22.090 -0.917) 22.356 15.669 ( 0.876 15.874 -6.857) 17.314 16.004 ( 1.846 -16.573 -9.576) 19.230 17.292 ( -3.606 10.312 -19.072) 21.979 17.465 ( -6.011 -6.279 -20.408) 22.182 19.049 ( -0.563 7.975 -6.285) 10.169 19.204 ( -1.314 -6.734 -6.149) 9.214 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 11.166 7.099 16.299) 20.993 2.570 ( 12.542 -10.245 9.925) 18.994 2.901 ( 14.879 5.196 16.190) 22.594 3.074 ( 11.432 -8.851 9.649) 17.382 3.965 ( -5.223 4.605 24.313) 25.291 3.982 ( -4.816 2.084 29.209) 29.676 4.350 ( -7.793 10.167 9.014) 15.664 4.695 ( -12.896 -20.375 0.024) 24.113 5.834 ( 7.417 11.273 12.489) 18.386 5.934 ( -4.516 4.596 10.766) 12.547 6.220 ( 5.325 5.407 28.880) 29.860 6.420 ( -1.683 -10.772 28.912) 30.899 6.697 ( 0.293 6.317 28.176) 28.877 6.867 ( 6.011 -8.634 31.194) 32.920 7.147 ( 5.055 3.080 13.817) 15.031 7.203 ( 6.632 -2.019 12.428) 14.231 7.993 ( -3.707 0.470 0.322) 3.751 8.083 ( -2.604 -7.236 1.026) 7.758 8.736 ( 2.105 16.649 -10.048) 19.560 9.046 ( 2.272 -13.345 -13.075) 18.820 9.759 ( -3.939 8.123 -15.417) 17.866 9.882 ( -5.245 -1.832 -11.096) 12.409 10.054 ( 9.372 10.938 -17.105) 22.362 10.370 ( 9.096 -17.621 -15.251) 25.017 10.714 ( -1.884 11.899 17.926) 21.599 10.971 ( 2.037 -11.523 13.079) 17.550 11.444 ( 8.770 1.380 -1.296) 8.972 11.470 ( 8.027 -1.165 -2.919) 8.620 12.234 ( 1.705 6.879 27.335) 28.239 12.384 ( 1.109 -7.080 27.438) 28.358 12.746 ( -7.802 9.070 10.051) 15.626 12.903 ( -4.437 -4.856 4.825) 8.158 13.207 ( -11.175 4.841 -3.753) 12.743 13.324 ( -11.176 -4.776 -0.024) 12.153 13.826 ( -0.323 15.182 0.424) 15.191 14.224 ( -2.723 -21.971 -2.480) 22.277 15.742 ( 7.329 16.114 -9.726) 20.198 16.076 ( 5.799 -16.217 -11.545) 20.734 17.178 ( -8.177 7.616 -19.891) 22.815 17.296 ( -10.996 -3.612 -21.565) 24.475 19.041 ( -0.076 6.669 -6.435) 9.268 19.172 ( -1.836 -5.690 -6.133) 8.565 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 11.097 8.977 10.373) 17.645 2.793 ( 8.210 -8.059 5.192) 12.622 3.163 ( 12.095 2.678 12.146) 17.349 3.263 ( 8.317 -4.809 7.539) 12.212 3.907 ( 1.095 6.046 28.625) 29.277 3.958 ( -0.425 -1.671 32.461) 32.507 4.209 ( -6.013 2.302 10.765) 12.543 4.446 ( -12.165 -17.452 3.056) 21.492 5.784 ( -8.048 6.492 7.073) 12.528 5.826 ( -7.611 1.946 8.494) 11.570 6.322 ( 5.237 7.738 33.232) 34.520 6.450 ( 3.073 -4.760 39.510) 39.914 6.707 ( 1.347 11.430 25.084) 27.598 6.917 ( -1.296 -7.129 25.731) 26.731 7.318 ( 15.204 7.653 14.600) 22.425 7.497 ( 18.563 -8.493 4.760) 20.962 7.948 ( -0.892 -0.368 0.340) 1.023 8.039 ( -2.184 -7.538 -0.902) 7.899 8.670 ( -8.607 13.566 -6.647) 17.387 8.941 ( -12.138 -12.038 -8.421) 19.057 9.698 ( -1.289 4.182 -12.401) 13.150 9.779 ( -3.734 -3.130 -11.722) 12.694 10.294 ( 12.226 10.942 -11.635) 20.114 10.561 ( 9.583 -14.708 -11.799) 21.152 10.673 ( -2.364 13.285 15.144) 20.284 10.966 ( -2.777 -14.281 12.302) 19.052 11.660 ( 13.355 3.244 -4.065) 14.332 11.693 ( 13.639 0.193 -4.143) 14.256 12.275 ( 2.314 6.725 26.265) 27.211 12.405 ( 0.719 -5.400 26.740) 27.289 12.607 ( -6.179 13.503 11.952) 19.062 12.802 ( -5.959 1.704 4.303) 7.545 12.971 ( -12.315 -3.014 2.237) 12.874 13.087 ( -12.389 -7.070 2.807) 14.538 13.820 ( 0.310 9.794 0.049) 9.799 14.114 ( -7.566 -17.444 -2.107) 19.131 15.960 ( 14.411 12.995 -13.506) 23.643 16.234 ( 10.127 -13.296 -14.294) 21.992 16.968 ( -13.192 5.535 -20.469) 24.973 17.051 ( -13.526 -2.244 -22.337) 26.210 19.049 ( 0.845 4.544 -6.519) 7.991 19.136 ( -1.783 -3.704 -6.187) 7.428 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 6.493 7.930 3.830) 10.941 2.848 ( -1.675 1.624 1.157) 2.604 3.393 ( 9.359 -0.931 12.405) 15.567 3.416 ( 6.315 -2.287 9.689) 11.789 3.902 ( -3.120 -3.932 26.270) 26.745 3.923 ( -3.025 -3.896 31.800) 32.180 4.167 ( 2.220 -1.907 14.753) 15.040 4.254 ( -6.604 -9.470 11.465) 16.271 5.659 ( -3.398 4.681 4.676) 7.439 5.678 ( -5.325 2.887 4.698) 7.665 6.412 ( 3.823 5.026 38.416) 38.931 6.467 ( -1.476 -0.052 41.176) 41.202 6.769 ( 4.557 6.113 22.355) 23.619 6.858 ( -4.117 -1.654 23.021) 23.445 7.666 ( 17.106 9.016 8.354) 21.064 7.792 ( 7.027 0.293 3.593) 7.898 7.956 ( 1.399 -3.385 0.225) 3.669 8.001 ( -1.863 -6.986 -0.903) 7.287 8.488 ( -4.365 3.538 -2.518) 6.157 8.644 ( -15.773 -9.975 -3.973) 19.081 9.701 ( 1.131 1.638 -11.933) 12.098 9.730 ( -1.750 -0.955 -12.115) 12.278 10.494 ( 8.027 9.738 -2.652) 12.896 10.612 ( -4.268 11.385 7.381) 14.224 10.733 ( 7.971 -13.090 -2.848) 15.588 10.873 ( -6.259 -13.580 6.189) 16.184 11.923 ( 11.072 4.386 -4.111) 12.599 11.948 ( 9.549 1.886 -4.555) 10.746 12.317 ( 2.196 5.715 20.476) 21.371 12.388 ( -3.391 -1.027 17.750) 18.100 12.522 ( -0.975 13.565 17.106) 21.853 12.625 ( -10.753 12.705 7.664) 18.324 12.822 ( -1.682 -12.925 7.932) 15.258 12.880 ( -7.465 -10.309 6.633) 14.353 13.857 ( 3.670 0.182 -1.048) 3.821 13.964 ( -7.036 -9.614 -1.721) 12.037 16.275 ( 16.733 8.566 -15.562) 24.404 16.442 ( 8.000 -6.774 -14.654) 18.018 16.691 ( -11.846 4.333 -22.671) 25.944 16.783 ( -13.229 -3.869 -22.246) 26.170 19.072 ( 1.441 1.860 -6.460) 6.875 19.103 ( -1.657 -1.037 -6.317) 6.613 ======================= Grid point 180 (61/120) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 0.000 20.990) 20.990 2.557 ( 0.000 0.000 15.856) 15.856 3.294 ( 0.000 0.000 7.315) 7.315 3.506 ( 0.000 0.000 23.341) 23.341 3.901 ( 0.000 0.000 -10.301) 10.301 4.231 ( 0.000 0.000 18.269) 18.269 5.026 ( 0.000 0.000 41.546) 41.546 5.319 ( 0.000 0.000 13.961) 13.961 5.554 ( 0.000 0.000 -10.652) 10.652 5.710 ( 0.000 0.000 -2.682) 2.682 6.677 ( 0.000 0.000 -9.754) 9.754 6.863 ( 0.000 0.000 20.531) 20.531 7.247 ( 0.000 0.000 23.756) 23.756 7.572 ( 0.000 0.000 49.793) 49.793 7.578 ( 0.000 0.000 19.316) 19.316 7.989 ( 0.000 0.000 1.167) 1.167 8.064 ( 0.000 0.000 47.322) 47.322 8.305 ( 0.000 0.000 0.851) 0.851 8.442 ( 0.000 0.000 -14.738) 14.738 8.468 ( 0.000 0.000 4.356) 4.356 8.944 ( 0.000 0.000 -14.019) 14.019 9.317 ( 0.000 0.000 -12.886) 12.886 9.824 ( 0.000 0.000 -23.730) 23.730 10.492 ( 0.000 0.000 -12.936) 12.936 10.772 ( 0.000 0.000 -11.708) 11.708 10.946 ( 0.000 0.000 14.156) 14.156 11.189 ( 0.000 0.000 2.039) 2.039 11.756 ( 0.000 0.000 13.582) 13.582 12.483 ( 0.000 0.000 6.030) 6.030 12.901 ( 0.000 0.000 -3.145) 3.145 12.903 ( 0.000 0.000 -4.390) 4.390 13.069 ( 0.000 0.000 -8.907) 8.907 13.111 ( 0.000 0.000 25.465) 25.465 13.609 ( 0.000 0.000 -1.224) 1.224 13.699 ( 0.000 0.000 13.609) 13.609 14.687 ( 0.000 0.000 -6.435) 6.435 15.194 ( 0.000 0.000 -2.399) 2.399 16.211 ( 0.000 0.000 -15.519) 15.519 16.557 ( 0.000 0.000 -17.634) 17.634 17.237 ( 0.000 0.000 -22.344) 22.344 18.733 ( 0.000 0.000 -4.820) 4.820 19.278 ( 0.000 0.000 -3.922) 3.922 ======================= Grid point 181 (62/120) ======================= q-point: ( 0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 11.265 0.000 16.765) 20.199 2.567 ( 0.935 0.000 14.402) 14.433 3.316 ( 2.444 0.000 8.332) 8.683 3.515 ( 1.212 0.000 22.863) 22.895 3.837 ( -5.190 0.000 -6.311) 8.171 4.304 ( 6.928 0.000 18.646) 19.892 5.037 ( -0.410 0.000 40.041) 40.043 5.371 ( 1.401 0.000 3.444) 3.718 5.506 ( -4.960 0.000 -9.787) 10.972 5.637 ( 0.322 0.000 5.123) 5.133 6.722 ( -13.902 0.000 18.342) 23.015 6.878 ( 16.840 0.000 -8.205) 18.732 7.220 ( -2.285 0.000 24.484) 24.590 7.534 ( -2.746 0.000 46.419) 46.500 7.578 ( 0.027 0.000 19.993) 19.993 8.034 ( 2.769 0.000 0.858) 2.899 8.056 ( -1.031 0.000 45.256) 45.268 8.268 ( -6.740 0.000 1.556) 6.917 8.296 ( -0.168 0.000 1.387) 1.397 8.754 ( 17.783 0.000 -10.421) 20.611 9.070 ( 11.704 0.000 -13.843) 18.128 9.294 ( -2.441 0.000 -12.836) 13.066 9.804 ( -2.500 0.000 -21.115) 21.262 10.488 ( -0.527 0.000 -12.389) 12.400 10.781 ( 1.131 0.000 -10.981) 11.039 10.944 ( 1.093 0.000 13.282) 13.326 11.251 ( 6.113 0.000 2.435) 6.580 11.749 ( -1.319 0.000 11.258) 11.335 12.499 ( 1.910 0.000 8.713) 8.920 12.799 ( -9.171 0.000 0.604) 9.191 12.821 ( -8.292 0.000 -7.234) 11.005 13.111 ( 4.638 0.000 -5.524) 7.213 13.135 ( 1.450 0.000 23.788) 23.833 13.636 ( 2.226 0.000 0.570) 2.298 13.680 ( -2.093 0.000 13.276) 13.440 14.758 ( 7.213 0.000 -8.529) 11.170 15.101 ( -9.066 0.000 -2.342) 9.363 16.213 ( 0.239 0.000 -15.955) 15.957 16.554 ( -0.568 0.000 -18.037) 18.046 17.137 ( -9.910 0.000 -22.107) 24.227 18.735 ( 0.363 0.000 -4.809) 4.823 19.258 ( -2.023 0.000 -3.884) 4.379 ======================= Grid point 182 (63/120) ======================= q-point: ( 0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 1.245 0.000 11.143) 11.213 2.775 ( 9.199 0.000 7.349) 11.774 3.403 ( 6.634 0.000 9.692) 11.745 3.566 ( 4.051 0.000 21.236) 21.619 3.783 ( 2.420 0.000 2.984) 3.842 4.476 ( 9.903 0.000 20.149) 22.451 4.956 ( -7.650 0.000 23.558) 24.769 5.332 ( -1.369 0.000 8.101) 8.216 5.358 ( -10.145 0.000 -7.983) 12.910 5.862 ( 18.288 0.000 9.042) 20.402 6.354 ( -22.602 0.000 14.806) 27.020 7.160 ( -4.097 0.000 24.790) 25.127 7.196 ( 12.123 0.000 3.535) 12.628 7.531 ( 4.865 0.000 33.783) 34.132 7.587 ( 1.091 0.000 22.190) 22.216 8.016 ( -5.029 0.000 0.068) 5.030 8.019 ( -2.729 0.000 37.838) 37.936 8.209 ( 1.312 0.000 7.490) 7.604 8.334 ( 3.473 0.000 1.773) 3.899 9.092 ( 14.714 0.000 -13.553) 20.005 9.214 ( -5.974 0.000 -10.710) 12.264 9.372 ( 18.942 0.000 -14.111) 23.620 9.716 ( -6.119 0.000 -15.394) 16.566 10.458 ( -2.579 0.000 -9.170) 9.526 10.827 ( 3.794 0.000 -9.145) 9.901 11.044 ( 9.547 0.000 8.663) 12.891 11.415 ( 10.164 0.000 3.237) 10.667 11.687 ( -4.876 0.000 5.570) 7.403 12.537 ( -2.983 0.000 9.901) 10.341 12.576 ( -13.061 0.000 4.137) 13.701 12.639 ( -4.519 0.000 -2.974) 5.410 13.149 ( -0.053 0.000 24.793) 24.793 13.223 ( 5.556 0.000 -2.411) 6.057 13.609 ( -5.338 0.000 12.496) 13.589 13.686 ( 3.327 0.000 4.081) 5.265 14.863 ( -14.536 0.000 -2.293) 14.716 14.965 ( 13.658 0.000 -13.193) 18.990 16.223 ( 0.792 0.000 -17.116) 17.134 16.520 ( -3.191 0.000 -18.617) 18.889 16.872 ( -16.395 0.000 -22.172) 27.576 18.757 ( 2.000 0.000 -4.746) 5.150 19.201 ( -3.676 0.000 -3.830) 5.309 ======================= Grid point 183 (64/120) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 1.832 0.000 7.881) 8.091 2.835 ( -2.399 0.000 1.740) 2.964 3.574 ( 10.222 0.000 10.917) 14.955 3.667 ( 5.861 0.000 18.308) 19.223 3.987 ( 17.320 0.000 9.216) 19.619 4.663 ( 8.326 0.000 23.716) 25.135 4.804 ( -6.200 0.000 13.392) 14.757 5.114 ( -14.494 0.000 -6.342) 15.821 5.327 ( -0.082 0.000 13.091) 13.091 5.880 ( -24.554 0.000 10.887) 26.859 6.252 ( 20.190 0.000 8.025) 21.726 7.053 ( -6.905 0.000 22.610) 23.641 7.317 ( 3.329 0.000 24.714) 24.937 7.613 ( 0.640 0.000 26.964) 26.972 7.738 ( 13.245 0.000 13.447) 18.874 7.879 ( -7.366 0.000 0.060) 7.367 7.954 ( -3.759 0.000 31.619) 31.842 8.332 ( 10.982 0.000 5.225) 12.162 8.364 ( -1.915 0.000 2.179) 2.901 9.060 ( -9.388 0.000 -5.385) 10.823 9.304 ( 7.410 0.000 -13.810) 15.672 9.590 ( -6.283 0.000 -11.950) 13.501 9.770 ( 20.135 0.000 -14.434) 24.774 10.399 ( -3.326 0.000 -6.942) 7.697 10.932 ( 6.875 0.000 -6.815) 9.680 11.263 ( 9.081 0.000 4.360) 10.073 11.595 ( -1.707 0.000 0.655) 1.828 11.630 ( 11.344 0.000 3.717) 11.938 12.305 ( -14.277 0.000 6.213) 15.570 12.323 ( -13.006 0.000 -0.806) 13.031 12.721 ( 7.286 0.000 13.824) 15.626 13.133 ( -1.804 0.000 25.758) 25.821 13.290 ( 1.092 0.000 4.895) 5.015 13.471 ( -8.378 0.000 11.753) 14.434 13.793 ( 8.046 0.000 3.300) 8.697 14.559 ( -15.915 0.000 -2.301) 16.081 15.283 ( 18.452 0.000 -17.361) 25.335 16.247 ( 1.761 0.000 -18.675) 18.758 16.405 ( -10.540 0.000 -17.670) 20.575 16.546 ( -14.077 0.000 -23.976) 27.803 18.816 ( 3.996 0.000 -4.544) 6.051 19.117 ( -4.849 0.000 -3.862) 6.199 ======================= Grid point 184 (65/120) ======================= q-point: ( 0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 3.339 0.000 5.148) 6.136 2.749 ( -4.940 0.000 2.736) 5.647 3.747 ( 5.728 0.000 12.878) 14.094 3.766 ( 3.193 0.000 15.125) 15.459 4.378 ( 20.625 0.000 7.989) 22.118 4.717 ( -8.960 0.000 17.861) 19.982 4.758 ( 2.052 0.000 15.657) 15.790 4.844 ( -8.020 0.000 6.479) 10.310 5.327 ( 1.108 0.000 8.600) 8.671 5.465 ( -15.212 0.000 5.688) 16.240 6.617 ( 16.409 0.000 10.987) 19.747 6.882 ( -10.837 0.000 17.461) 20.551 7.405 ( 6.239 0.000 24.983) 25.750 7.550 ( -7.212 0.000 24.519) 25.558 7.812 ( 1.239 0.000 11.555) 11.621 7.873 ( -3.857 0.000 22.412) 22.741 8.000 ( 12.890 0.000 11.960) 17.584 8.238 ( -10.408 0.000 6.107) 12.068 8.596 ( 14.460 0.000 0.932) 14.490 8.856 ( -11.664 0.000 -1.390) 11.746 9.407 ( 3.864 0.000 -12.391) 12.980 9.483 ( -4.458 0.000 -11.415) 12.255 10.114 ( 14.120 0.000 -12.926) 19.143 10.312 ( -6.468 0.000 -9.099) 11.164 11.087 ( 8.580 0.000 -4.193) 9.550 11.252 ( -7.385 0.000 -1.184) 7.479 11.741 ( 13.461 0.000 3.440) 13.894 11.847 ( 10.535 0.000 3.883) 11.228 12.027 ( -13.708 0.000 4.819) 14.531 12.078 ( -11.751 0.000 0.562) 11.764 12.885 ( 9.267 0.000 17.731) 20.007 13.056 ( -6.826 0.000 22.829) 23.827 13.290 ( -0.112 0.000 12.121) 12.122 13.326 ( -4.840 0.000 12.761) 13.648 13.994 ( 12.073 0.000 0.073) 12.073 14.257 ( -14.611 0.000 -1.801) 14.722 15.671 ( 20.695 0.000 -19.521) 28.449 16.075 ( -20.093 0.000 -19.616) 28.080 16.295 ( 3.283 0.000 -20.321) 20.585 16.380 ( -5.479 0.000 -21.988) 22.660 18.908 ( 5.257 0.000 -4.263) 6.768 19.015 ( -5.467 0.000 -4.016) 6.783 ======================= Grid point 189 (66/120) ======================= q-point: ( 0.00 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.000 3.305 17.725) 18.030 2.527 ( 0.000 -2.433 16.511) 16.689 3.165 ( 0.000 -9.691 13.310) 16.465 3.391 ( 0.000 -9.792 23.489) 25.449 4.008 ( 0.000 11.070 -6.270) 12.722 4.398 ( 0.000 13.387 13.942) 19.328 4.943 ( 0.000 -8.746 25.157) 26.634 5.325 ( 0.000 -3.021 6.700) 7.350 5.524 ( 0.000 -1.398 6.720) 6.864 5.861 ( 0.000 17.219 1.956) 17.329 6.422 ( 0.000 -17.440 1.142) 17.477 6.969 ( 0.000 2.115 11.603) 11.794 7.247 ( 0.000 0.201 24.109) 24.110 7.464 ( 0.000 -10.309 20.121) 22.609 7.652 ( 0.000 6.934 47.176) 47.683 8.033 ( 0.000 -2.364 45.251) 45.312 8.088 ( 0.000 8.763 0.210) 8.766 8.194 ( 0.000 -3.572 -3.119) 4.742 8.421 ( 0.000 -4.312 3.454) 5.525 8.581 ( 0.000 3.400 -7.082) 7.856 8.988 ( 0.000 7.652 -15.308) 17.114 9.424 ( 0.000 9.155 -14.290) 16.971 9.777 ( 0.000 -4.829 -23.580) 24.069 10.279 ( 0.000 -16.030 -15.500) 22.298 10.885 ( 0.000 6.759 -5.685) 8.832 10.972 ( 0.000 2.213 12.414) 12.610 11.234 ( 0.000 4.334 4.201) 6.036 11.695 ( 0.000 -5.710 13.131) 14.318 12.507 ( 0.000 2.337 5.622) 6.089 12.834 ( 0.000 -5.955 -2.761) 6.564 12.945 ( 0.000 3.482 -2.785) 4.459 12.993 ( 0.000 -1.793 4.367) 4.721 13.274 ( 0.000 9.457 10.645) 14.239 13.597 ( 0.000 -0.569 -1.047) 1.191 13.719 ( 0.000 2.004 12.370) 12.532 14.504 ( 0.000 -15.267 -5.088) 16.092 15.311 ( 0.000 9.419 -4.014) 10.238 16.049 ( 0.000 -12.036 -13.466) 18.061 16.703 ( 0.000 10.501 -19.198) 21.882 17.202 ( 0.000 -3.528 -22.494) 22.769 18.795 ( 0.000 5.701 -4.788) 7.445 19.234 ( 0.000 -4.235 -4.085) 5.884 ======================= Grid point 190 (67/120) ======================= q-point: ( 0.11 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 2.193 -1.431 14.790) 15.020 2.573 ( 9.733 1.838 14.247) 17.352 3.202 ( 3.976 -8.435 14.037) 16.852 3.421 ( 2.797 -8.242 21.597) 23.285 3.959 ( -4.419 11.702 -4.381) 13.253 4.398 ( 1.449 7.969 17.304) 19.105 4.931 ( -2.133 -9.297 24.314) 26.118 5.255 ( -9.724 -12.631 -2.162) 16.086 5.578 ( 9.359 9.720 11.212) 17.543 5.848 ( -0.099 17.933 4.729) 18.546 6.573 ( 8.162 -13.496 7.865) 17.624 6.868 ( -5.835 -1.758 3.729) 7.144 7.225 ( -1.660 0.604 24.518) 24.582 7.493 ( 2.379 -8.042 20.867) 22.489 7.617 ( -2.509 6.823 43.991) 44.587 8.012 ( -1.925 -3.414 43.243) 43.420 8.103 ( -0.368 1.557 1.749) 2.370 8.207 ( 1.303 4.673 -2.565) 5.488 8.343 ( -2.947 -1.128 6.051) 6.824 8.767 ( 13.554 -1.835 -10.192) 17.057 9.089 ( 9.622 6.149 -15.438) 19.202 9.415 ( -0.510 9.580 -13.841) 16.840 9.762 ( -2.046 -4.289 -21.033) 21.563 10.292 ( 1.617 -15.520 -15.223) 21.800 10.861 ( -2.474 5.928 -0.511) 6.444 11.005 ( 3.993 4.202 8.023) 9.898 11.287 ( 5.450 3.338 3.884) 7.479 11.688 ( -1.193 -5.742 11.394) 12.814 12.513 ( 0.775 1.615 7.064) 7.288 12.744 ( -7.745 -2.888 -3.438) 8.953 12.912 ( -4.388 5.389 -2.643) 7.435 13.040 ( 4.254 -2.946 6.527) 8.330 13.248 ( -1.638 7.085 12.378) 14.356 13.607 ( -0.248 -2.707 1.749) 3.232 13.704 ( -0.913 2.981 10.743) 11.186 14.540 ( 2.955 -16.689 -6.032) 17.989 15.262 ( -4.077 11.591 -4.909) 13.232 16.057 ( 0.811 -11.888 -13.938) 18.337 16.684 ( -2.068 9.401 -19.545) 21.786 17.112 ( -8.940 -2.637 -22.418) 24.279 18.794 ( 0.100 5.481 -4.732) 7.242 19.216 ( -1.781 -4.026 -4.037) 5.973 ======================= Grid point 191 (68/120) ======================= q-point: ( 0.22 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 2.776 0.870 11.367) 11.733 2.781 ( 8.875 -0.078 5.950) 10.685 3.323 ( 8.253 -6.078 13.303) 16.794 3.496 ( 4.946 -5.974 19.176) 20.685 3.900 ( 0.705 10.906 3.236) 11.398 4.481 ( 6.528 0.704 20.652) 21.671 4.844 ( -6.274 -8.983 20.867) 23.568 5.037 ( -11.061 -15.666 -3.578) 19.508 5.714 ( -0.306 20.086 8.690) 21.887 5.969 ( 14.012 9.524 9.102) 19.232 6.417 ( -17.270 4.748 12.323) 21.740 6.970 ( 7.732 -14.827 2.379) 16.890 7.213 ( 1.679 1.048 24.302) 24.382 7.547 ( 3.494 -4.272 22.392) 23.062 7.601 ( 1.787 5.199 36.560) 36.971 7.957 ( -3.598 -2.718 29.368) 29.712 8.084 ( 0.202 -4.497 13.131) 13.881 8.177 ( -4.515 4.951 1.207) 6.808 8.371 ( 4.219 3.335 1.756) 5.657 8.994 ( 6.923 -7.931 -12.030) 15.986 9.272 ( 4.912 5.757 -14.078) 15.983 9.488 ( 12.152 9.207 -14.061) 20.740 9.687 ( -5.223 -2.877 -15.053) 16.191 10.344 ( 3.137 -11.796 -14.714) 19.118 10.817 ( -0.859 3.594 3.107) 4.828 11.139 ( 9.329 5.029 4.666) 11.580 11.443 ( 10.044 2.259 3.770) 10.963 11.636 ( -3.860 -4.587 7.104) 9.296 12.512 ( -3.915 -0.953 4.419) 5.980 12.579 ( -6.858 2.473 0.990) 7.358 12.785 ( -6.582 9.522 0.759) 11.600 13.128 ( 3.584 -2.504 16.571) 17.138 13.235 ( 0.373 1.849 9.354) 9.542 13.547 ( -5.650 -6.072 8.626) 11.967 13.709 ( 1.378 3.209 5.680) 6.668 14.556 ( -3.411 -18.545 -5.287) 19.583 15.228 ( 3.031 14.605 -9.661) 17.771 16.083 ( 1.868 -11.152 -15.400) 19.106 16.614 ( -5.323 6.736 -19.988) 21.754 16.871 ( -14.952 -0.453 -22.636) 27.132 18.807 ( 1.421 4.720 -4.621) 6.757 19.167 ( -3.136 -3.322 -3.958) 6.044 ======================= Grid point 192 (69/120) ======================= q-point: ( 0.33 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 2.781 3.158 7.140) 8.288 2.855 ( -1.154 1.304 0.793) 1.913 3.521 ( 11.562 -4.478 12.029) 17.275 3.614 ( 6.905 -4.594 17.495) 19.361 4.034 ( 12.002 4.856 7.928) 15.181 4.602 ( 3.576 -3.942 23.386) 23.984 4.748 ( -1.177 -6.497 19.512) 20.599 4.817 ( -11.420 -15.756 -1.365) 19.507 5.642 ( -5.620 18.083 7.452) 20.350 5.941 ( -19.396 4.706 10.631) 22.613 6.390 ( 16.501 12.228 5.948) 21.382 7.004 ( -2.482 -4.553 13.730) 14.676 7.278 ( 3.494 -2.314 28.238) 28.547 7.580 ( -1.438 -4.778 25.477) 25.962 7.735 ( 10.741 2.512 24.570) 26.932 7.891 ( -2.073 0.963 12.594) 12.800 8.053 ( -5.568 5.353 12.739) 14.898 8.170 ( 6.308 -10.112 7.734) 14.208 8.430 ( 1.403 3.489 1.749) 4.147 8.977 ( -7.469 -7.381 -6.598) 12.402 9.346 ( 4.069 3.606 -12.834) 13.938 9.573 ( -5.174 -1.704 -13.046) 14.138 9.825 ( 18.013 5.254 -13.932) 23.370 10.382 ( -0.026 -3.804 -12.550) 13.114 10.859 ( 5.351 -2.024 2.195) 6.128 11.298 ( 2.470 -0.866 3.670) 4.508 11.595 ( 4.408 1.499 2.356) 5.218 11.666 ( 11.663 2.811 4.300) 12.744 12.341 ( -10.190 4.102 -1.692) 11.114 12.423 ( -11.653 8.165 3.107) 14.564 12.762 ( 4.090 3.836 10.346) 11.768 13.151 ( -1.177 1.146 27.008) 27.058 13.250 ( 0.307 -3.177 8.460) 9.043 13.406 ( -8.117 -6.695 9.726) 14.328 13.769 ( 5.332 -0.799 3.055) 6.197 14.393 ( -11.855 -14.082 -2.678) 18.601 15.410 ( 14.461 10.630 -16.038) 24.070 16.136 ( 3.751 -9.078 -17.621) 20.174 16.455 ( -12.488 3.746 -19.321) 23.309 16.572 ( -13.309 1.542 -23.680) 27.208 18.853 ( 3.143 3.389 -4.460) 6.423 19.096 ( -4.008 -2.040 -3.962) 5.993 ======================= Grid point 193 (70/120) ======================= q-point: ( 0.44 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 3.463 3.948 3.745) 6.450 2.788 ( -4.357 3.283 1.323) 5.613 3.718 ( 6.537 -2.522 13.194) 14.939 3.738 ( 4.288 -2.380 15.181) 15.953 4.284 ( 12.173 -8.664 3.446) 15.334 4.533 ( -12.914 -15.809 3.939) 20.789 4.689 ( 5.471 -2.956 23.294) 24.110 4.788 ( -0.755 -0.813 27.488) 27.510 5.537 ( -3.400 12.975 4.018) 14.002 5.603 ( -11.675 9.714 3.409) 15.566 6.703 ( 13.720 8.246 9.692) 18.713 6.908 ( -7.413 3.041 13.835) 15.988 7.362 ( 5.697 -3.547 28.652) 29.427 7.493 ( -6.683 -4.953 26.755) 28.018 7.862 ( 2.410 3.857 12.908) 13.686 7.922 ( -2.207 3.389 13.619) 14.207 8.021 ( 9.092 1.612 11.944) 15.097 8.208 ( -6.107 -2.753 9.606) 11.711 8.527 ( 11.038 -5.066 2.536) 12.407 8.773 ( -12.338 -7.278 -0.959) 14.357 9.418 ( 3.304 1.039 -12.342) 12.819 9.485 ( -3.770 -0.105 -12.156) 12.728 10.139 ( 13.180 2.537 -13.415) 18.977 10.326 ( -5.947 0.740 -11.865) 13.293 11.010 ( 9.347 -5.109 1.090) 10.708 11.199 ( -9.163 -5.338 1.630) 10.729 11.813 ( 13.760 5.788 3.801) 15.404 11.887 ( 9.334 2.919 3.914) 10.534 12.145 ( -9.477 9.378 0.297) 13.336 12.171 ( -12.196 10.163 -1.007) 15.908 12.892 ( 8.527 0.113 15.161) 17.395 13.067 ( -7.859 0.216 21.752) 23.129 13.245 ( 0.053 -3.586 15.535) 15.943 13.277 ( -3.817 -4.450 13.556) 14.769 13.921 ( 9.923 -5.835 0.244) 11.514 14.145 ( -12.575 -9.808 -1.389) 16.008 15.747 ( 18.957 6.778 -19.339) 27.916 16.125 ( -19.072 4.387 -20.440) 28.298 16.233 ( 6.154 -5.340 -19.717) 21.334 16.375 ( -8.268 -1.050 -21.845) 23.381 18.926 ( 4.235 1.631 -4.261) 6.225 19.013 ( -4.443 -0.291 -4.077) 6.037 ======================= Grid point 198 (71/120) ======================= q-point: ( 0.00 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 0.000 -0.400 15.307) 15.312 2.504 ( 0.000 -0.345 12.298) 12.303 3.046 ( 0.000 0.577 23.558) 23.565 3.174 ( 0.000 -10.003 24.239) 26.222 4.323 ( 0.000 18.148 -1.459) 18.207 4.684 ( 0.000 -15.889 8.061) 17.817 4.707 ( 0.000 16.329 10.804) 19.579 5.061 ( 0.000 -17.678 5.647) 18.558 5.699 ( 0.000 14.748 11.963) 18.990 6.047 ( 0.000 -18.374 6.702) 19.558 6.317 ( 0.000 25.029 9.098) 26.632 6.798 ( 0.000 -19.106 9.664) 21.411 7.259 ( 0.000 0.981 24.002) 24.022 7.297 ( 0.000 -3.747 23.426) 23.724 7.814 ( 0.000 8.068 43.111) 43.860 7.958 ( 0.000 -5.521 41.844) 42.207 8.200 ( 0.000 3.581 0.436) 3.608 8.281 ( 0.000 2.861 3.131) 4.241 8.333 ( 0.000 2.430 -2.931) 3.807 8.513 ( 0.000 -7.910 -4.313) 9.009 9.275 ( 0.000 17.569 -18.754) 25.698 9.605 ( 0.000 -12.689 -22.422) 25.764 9.648 ( 0.000 12.222 -15.703) 19.898 9.933 ( 0.000 -16.132 -15.804) 22.584 10.989 ( 0.000 3.111 1.969) 3.682 11.011 ( 0.000 0.854 8.012) 8.057 11.362 ( 0.000 7.903 8.507) 11.611 11.540 ( 0.000 -8.840 11.606) 14.589 12.580 ( 0.000 4.848 3.984) 6.275 12.700 ( 0.000 -6.557 0.881) 6.616 12.988 ( 0.000 0.767 2.308) 2.432 12.996 ( 0.000 0.802 -0.545) 0.969 13.455 ( 0.000 7.648 8.475) 11.415 13.569 ( 0.000 -3.234 4.075) 5.202 13.835 ( 0.000 10.912 4.240) 11.707 14.147 ( 0.000 -17.965 -2.332) 18.115 15.533 ( 0.000 11.847 -6.890) 13.705 15.788 ( 0.000 -12.921 -10.232) 16.482 16.917 ( 0.000 9.826 -21.037) 23.218 17.092 ( 0.000 -7.101 -22.221) 23.327 18.945 ( 0.000 8.325 -4.699) 9.559 19.111 ( 0.000 -7.430 -4.436) 8.654 ======================= Grid point 199 (72/120) ======================= q-point: ( 0.11 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 4.188 0.806 14.020) 14.654 2.576 ( 6.782 -2.141 10.647) 12.804 3.107 ( 5.960 1.219 21.906) 22.735 3.230 ( 5.256 -9.084 21.591) 24.007 4.279 ( -4.239 17.938 -0.877) 18.453 4.553 ( -7.019 0.608 13.142) 14.911 4.728 ( -1.628 -3.983 10.059) 10.941 4.936 ( -10.413 -16.078 5.912) 20.047 5.859 ( 14.372 16.526 11.712) 24.836 6.195 ( 8.165 -8.063 12.803) 17.193 6.328 ( 4.481 13.032 2.912) 14.085 6.715 ( -7.883 -14.879 7.231) 18.325 7.248 ( -0.639 1.750 24.024) 24.096 7.319 ( 2.399 -6.226 22.556) 23.522 7.777 ( -2.803 7.980 40.659) 41.530 7.921 ( -2.982 -5.781 39.629) 40.159 8.135 ( -4.200 3.829 6.605) 8.713 8.242 ( -3.987 -5.354 8.201) 10.574 8.429 ( 7.899 11.122 -6.723) 15.209 8.643 ( 9.735 -9.020 -8.881) 15.968 9.333 ( 5.453 14.980 -18.917) 24.739 9.599 ( -0.454 -5.683 -21.834) 22.566 9.658 ( 0.946 7.628 -13.522) 15.555 9.946 ( 1.940 -16.741 -14.821) 22.443 10.989 ( -0.082 5.708 4.828) 7.476 11.055 ( 4.130 -0.197 6.063) 7.339 11.383 ( 2.731 6.112 7.605) 10.132 11.535 ( -0.407 -8.287 10.742) 13.573 12.572 ( -0.848 4.073 3.155) 5.222 12.667 ( -3.041 -4.669 -1.513) 5.774 12.996 ( -0.283 2.121 1.151) 2.430 13.011 ( 2.264 -0.179 6.233) 6.634 13.399 ( -4.956 7.167 10.148) 13.376 13.527 ( -4.491 -5.122 6.049) 9.110 13.846 ( 0.802 11.690 3.002) 12.096 14.167 ( 1.362 -18.386 -2.898) 18.663 15.518 ( -1.006 13.110 -7.730) 15.253 15.792 ( 0.537 -13.490 -10.821) 17.302 16.874 ( -4.357 8.627 -21.338) 23.425 17.025 ( -6.766 -5.890 -22.397) 24.127 18.939 ( -0.510 8.023 -4.591) 9.258 19.099 ( -1.199 -7.132 -4.350) 8.439 ======================= Grid point 200 (73/120) ======================= q-point: ( 0.22 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 5.962 3.581 10.174) 12.324 2.734 ( 8.069 -4.650 6.087) 11.126 3.258 ( 8.880 1.298 17.511) 19.677 3.355 ( 7.125 -6.883 17.271) 19.910 4.198 ( -2.451 17.017 3.366) 17.519 4.483 ( 0.009 -4.542 16.525) 17.138 4.656 ( -5.274 -6.369 11.252) 13.963 4.732 ( -9.211 -11.144 9.460) 17.278 6.106 ( 0.439 15.708 14.304) 21.249 6.190 ( 0.007 8.891 12.777) 15.566 6.482 ( 0.280 1.621 4.047) 4.368 6.649 ( 10.980 -14.632 -1.218) 18.334 7.253 ( 1.260 3.499 25.228) 25.501 7.384 ( 3.615 -9.083 21.810) 23.900 7.744 ( 0.305 7.215 37.372) 38.063 7.873 ( -1.148 -5.384 35.913) 36.333 8.054 ( -3.767 2.721 8.223) 9.446 8.156 ( -4.768 -5.544 8.889) 11.510 8.556 ( 4.092 12.396 -6.968) 14.797 8.800 ( 4.641 -10.882 -10.332) 15.707 9.425 ( 1.994 8.311 -16.431) 18.521 9.578 ( -2.406 -5.823 -18.087) 19.153 9.733 ( 9.176 12.782 -12.053) 19.821 10.038 ( 7.572 -16.130 -14.949) 23.259 10.976 ( -1.300 10.098 6.914) 12.307 11.151 ( 4.504 -4.932 5.814) 8.855 11.489 ( 8.080 2.201 5.600) 10.074 11.542 ( 2.397 -3.498 8.386) 9.397 12.542 ( -2.741 3.259 -1.091) 4.396 12.602 ( -2.868 -1.294 -2.162) 3.818 12.970 ( -2.774 7.471 4.018) 8.925 13.070 ( 3.417 -2.943 13.584) 14.313 13.292 ( -5.312 3.612 14.724) 16.064 13.400 ( -8.080 -7.057 8.705) 13.815 13.850 ( -0.624 11.307 1.956) 11.492 14.166 ( -2.265 -18.479 -2.676) 18.809 15.528 ( 3.020 14.612 -10.860) 18.454 15.821 ( 2.838 -13.853 -12.932) 19.163 16.746 ( -8.659 5.738 -21.758) 24.111 16.838 ( -11.956 -3.015 -22.788) 25.910 18.932 ( -0.033 6.903 -4.412) 8.192 19.069 ( -1.751 -6.045 -4.201) 7.567 ======================= Grid point 201 (74/120) ======================= q-point: ( 0.33 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 4.245 5.491 4.469) 8.255 2.844 ( 2.468 -3.231 0.654) 4.119 3.454 ( 11.378 -0.439 14.831) 18.698 3.510 ( 8.824 -4.876 15.667) 18.631 4.190 ( -0.403 10.227 5.129) 11.448 4.445 ( -8.702 -14.206 5.285) 17.477 4.585 ( 1.878 0.536 22.296) 22.381 4.655 ( 3.256 -5.339 21.851) 22.728 5.934 ( -11.891 9.316 7.851) 17.025 6.016 ( -15.442 0.995 10.152) 18.507 6.674 ( 14.647 13.583 3.005) 20.200 6.887 ( 9.896 -7.119 3.430) 12.664 7.276 ( 0.418 3.197 31.134) 31.301 7.422 ( -0.676 -9.467 25.119) 26.852 7.826 ( 8.180 4.921 29.137) 30.661 7.902 ( 3.656 -1.146 20.196) 20.556 8.011 ( 0.287 -2.612 9.593) 9.946 8.063 ( -3.927 -3.753 9.594) 11.025 8.570 ( -2.775 9.970 -2.542) 10.657 8.788 ( -5.874 -10.485 -5.811) 13.349 9.433 ( 0.114 4.526 -13.118) 13.877 9.518 ( -2.989 -3.573 -13.628) 14.402 9.981 ( 13.826 9.779 -14.563) 22.336 10.207 ( 8.307 -11.455 -16.052) 21.398 10.949 ( -0.930 9.429 7.906) 12.340 11.168 ( -3.252 -10.272 6.384) 12.524 11.666 ( 11.527 3.817 4.196) 12.847 11.706 ( 12.240 0.275 4.994) 13.222 12.461 ( -5.041 6.856 -5.504) 10.134 12.550 ( -3.792 0.743 -1.315) 4.082 12.892 ( -4.157 9.929 5.564) 12.116 13.115 ( -0.916 -7.587 18.401) 19.924 13.210 ( -2.916 -0.359 19.868) 20.084 13.241 ( -5.857 -5.239 14.350) 16.361 13.828 ( -1.129 7.414 1.130) 7.584 14.071 ( -6.889 -15.408 -1.324) 16.929 15.659 ( 10.317 12.834 -15.561) 22.656 15.916 ( 6.991 -11.991 -16.341) 21.440 16.533 ( -13.473 3.413 -21.437) 25.549 16.580 ( -13.403 -0.993 -22.949) 26.594 18.941 ( 0.915 4.803 -4.303) 6.513 19.034 ( -1.813 -3.984 -4.143) 6.027 ======================= Grid point 202 (75/120) ======================= q-point: ( 0.44 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 2.428 4.336 0.358) 4.982 2.844 ( -1.544 0.975 -1.091) 2.127 3.671 ( 8.465 -1.238 14.124) 16.513 3.685 ( 7.343 -2.285 15.179) 17.016 4.139 ( -2.245 -2.473 5.044) 6.049 4.231 ( -10.663 -11.043 5.109) 16.179 4.701 ( 7.426 2.515 28.761) 29.810 4.756 ( 3.101 -2.323 28.638) 28.899 5.726 ( -6.935 5.174 2.358) 8.968 5.749 ( -9.250 3.202 2.681) 10.149 6.917 ( 9.069 10.561 5.806) 15.083 7.002 ( 0.967 3.749 3.743) 5.386 7.287 ( 2.010 -2.217 35.929) 36.053 7.362 ( -4.541 -7.346 30.626) 31.821 7.925 ( 1.412 2.287 3.661) 4.541 7.968 ( -3.213 -0.724 1.601) 3.663 8.049 ( 10.648 2.795 20.584) 23.343 8.134 ( 5.083 -4.362 20.566) 21.629 8.487 ( -2.270 2.545 3.076) 4.592 8.606 ( -11.022 -7.951 0.974) 13.625 9.445 ( 1.077 1.458 -12.753) 12.881 9.472 ( -1.751 -1.073 -12.891) 13.054 10.216 ( 9.187 4.740 -15.367) 18.521 10.306 ( 0.559 -3.141 -16.334) 16.643 10.963 ( 2.947 1.580 7.936) 8.612 11.062 ( -6.315 -6.948 6.763) 11.571 11.915 ( 10.922 3.233 3.195) 11.830 11.935 ( 8.868 1.109 3.249) 9.509 12.362 ( -3.856 10.618 -5.019) 12.362 12.416 ( -8.590 8.516 -3.024) 12.468 12.870 ( 2.756 -0.536 7.714) 8.209 12.987 ( -8.305 -8.651 10.116) 15.689 13.198 ( 0.328 -0.584 26.693) 26.701 13.202 ( -0.292 -1.329 25.014) 25.051 13.835 ( 2.512 -0.623 -0.379) 2.616 13.929 ( -6.706 -9.181 -0.840) 11.400 15.915 ( 15.222 8.959 -19.434) 26.262 16.092 ( 10.624 -7.979 -20.287) 24.251 16.232 ( -16.203 5.300 -20.211) 26.440 16.327 ( -12.607 -3.665 -21.374) 25.084 18.966 ( 1.552 1.960 -4.240) 4.923 18.999 ( -1.763 -1.154 -4.180) 4.681 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 0.000 0.000 7.851) 7.851 2.793 ( 0.000 0.000 7.129) 7.129 3.474 ( 0.000 0.000 5.332) 5.332 3.766 ( 0.000 0.000 0.732) 0.732 3.986 ( 0.000 0.000 22.599) 22.599 4.532 ( 0.000 0.000 11.375) 11.375 5.352 ( 0.000 0.000 -8.651) 8.651 5.395 ( 0.000 0.000 -0.004) 0.004 5.730 ( 0.000 0.000 6.953) 6.953 5.862 ( 0.000 0.000 30.916) 30.916 6.472 ( 0.000 0.000 -9.254) 9.254 7.282 ( 0.000 0.000 19.726) 19.726 7.648 ( 0.000 0.000 14.733) 14.733 7.939 ( 0.000 0.000 15.177) 15.177 8.038 ( 0.000 0.000 3.428) 3.428 8.112 ( 0.000 0.000 -10.869) 10.869 8.336 ( 0.000 0.000 1.492) 1.492 8.537 ( 0.000 0.000 42.755) 42.755 8.586 ( 0.000 0.000 7.025) 7.025 8.628 ( 0.000 0.000 -13.856) 13.856 9.070 ( 0.000 0.000 40.447) 40.447 9.091 ( 0.000 0.000 -8.454) 8.454 9.365 ( 0.000 0.000 -20.381) 20.381 10.263 ( 0.000 0.000 -8.828) 8.828 10.521 ( 0.000 0.000 -12.370) 12.370 11.192 ( 0.000 0.000 10.156) 10.156 11.295 ( 0.000 0.000 7.934) 7.934 12.011 ( 0.000 0.000 10.791) 10.791 12.351 ( 0.000 0.000 -14.581) 14.581 12.737 ( 0.000 0.000 -9.572) 9.572 12.815 ( 0.000 0.000 -5.377) 5.377 13.009 ( 0.000 0.000 1.622) 1.622 13.578 ( 0.000 0.000 19.702) 19.702 13.712 ( 0.000 0.000 8.086) 8.086 13.977 ( 0.000 0.000 13.787) 13.787 14.539 ( 0.000 0.000 -7.871) 7.871 15.162 ( 0.000 0.000 -0.359) 0.359 15.902 ( 0.000 0.000 -14.171) 14.171 16.171 ( 0.000 0.000 -19.664) 19.664 16.743 ( 0.000 0.000 -25.227) 25.227 18.642 ( 0.000 0.000 -4.059) 4.059 19.196 ( 0.000 0.000 -4.235) 4.235 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 5.036 0.000 5.633) 7.556 2.782 ( -1.039 0.000 6.545) 6.627 3.485 ( 1.335 0.000 3.806) 4.033 3.784 ( 2.532 0.000 4.374) 5.054 3.985 ( 0.162 0.000 22.178) 22.179 4.608 ( 7.278 0.000 11.263) 13.409 5.314 ( -4.001 0.000 -8.504) 9.398 5.344 ( -8.151 0.000 -3.476) 8.861 5.685 ( -0.913 0.000 18.659) 18.682 5.851 ( 3.214 0.000 16.362) 16.675 6.734 ( 21.022 0.000 -3.800) 21.363 7.106 ( -16.549 0.000 18.484) 24.810 7.645 ( -1.309 0.000 16.208) 16.260 7.907 ( -1.609 0.000 10.584) 10.705 8.073 ( -2.574 0.000 -3.385) 4.252 8.089 ( 3.213 0.000 5.070) 6.002 8.353 ( 1.537 0.000 3.717) 4.022 8.402 ( -7.218 0.000 17.126) 18.585 8.689 ( 9.063 0.000 4.944) 10.323 8.836 ( 13.347 0.000 7.511) 15.315 9.050 ( -2.931 0.000 -10.450) 10.853 9.055 ( -0.667 0.000 35.948) 35.954 9.403 ( 2.457 0.000 -17.068) 17.244 10.271 ( 0.684 0.000 -8.035) 8.064 10.546 ( 2.690 0.000 -11.516) 11.826 11.182 ( -0.099 0.000 9.856) 9.856 11.364 ( 6.788 0.000 8.235) 10.672 11.911 ( -8.310 0.000 2.916) 8.807 12.478 ( 10.506 0.000 -5.359) 11.794 12.688 ( -5.138 0.000 -6.117) 7.989 12.758 ( -5.600 0.000 -4.039) 6.904 13.060 ( 5.363 0.000 0.739) 5.414 13.586 ( 0.743 0.000 19.454) 19.468 13.731 ( 1.911 0.000 6.508) 6.783 13.945 ( -3.325 0.000 12.921) 13.342 14.581 ( 4.281 0.000 -8.604) 9.610 15.069 ( -9.115 0.000 -0.522) 9.130 15.896 ( -0.583 0.000 -14.560) 14.572 16.163 ( -0.986 0.000 -19.675) 19.699 16.654 ( -8.997 0.000 -24.526) 26.124 18.645 ( 0.497 0.000 -3.991) 4.022 19.176 ( -2.035 0.000 -4.298) 4.756 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -1.294 0.000 5.261) 5.418 2.856 ( 2.339 0.000 0.963) 2.530 3.558 ( 7.281 0.000 4.172) 8.392 3.892 ( 8.734 0.000 8.083) 11.901 4.001 ( 1.504 0.000 20.531) 20.586 4.795 ( 11.331 0.000 11.349) 16.037 5.127 ( -10.842 0.000 0.770) 10.870 5.190 ( -8.705 0.000 -7.940) 11.782 5.686 ( -0.948 0.000 17.959) 17.984 6.037 ( 14.938 0.000 7.829) 16.865 6.686 ( -25.384 0.000 16.807) 30.444 7.161 ( 20.755 0.000 0.047) 20.755 7.562 ( -7.322 0.000 13.095) 15.003 7.918 ( 2.646 0.000 9.751) 10.104 8.058 ( 1.841 0.000 4.755) 5.099 8.105 ( -1.951 0.000 8.644) 8.861 8.294 ( -3.734 0.000 13.834) 14.329 8.392 ( 2.324 0.000 3.292) 4.030 8.828 ( 1.970 0.000 11.898) 12.060 8.990 ( 3.771 0.000 18.521) 18.901 9.008 ( -1.422 0.000 -8.904) 9.017 9.213 ( 17.327 0.000 4.487) 17.899 9.419 ( -1.283 0.000 -12.750) 12.814 10.279 ( -0.191 0.000 -6.325) 6.328 10.631 ( 6.104 0.000 -9.517) 11.306 11.231 ( 5.548 0.000 8.051) 9.778 11.543 ( 10.956 0.000 8.928) 14.133 11.728 ( -9.770 0.000 -1.808) 9.936 12.546 ( -8.797 0.000 -0.202) 8.799 12.605 ( -9.774 0.000 -1.190) 9.846 12.700 ( 11.348 0.000 2.376) 11.594 13.209 ( 9.106 0.000 1.131) 9.176 13.600 ( 0.478 0.000 19.373) 19.379 13.786 ( 3.662 0.000 4.439) 5.755 13.843 ( -7.164 0.000 10.666) 12.849 14.709 ( 8.989 0.000 -11.250) 14.400 14.829 ( -14.668 0.000 -0.818) 14.691 15.883 ( -0.583 0.000 -15.609) 15.620 16.123 ( -3.209 0.000 -19.663) 19.923 16.405 ( -15.836 0.000 -22.904) 27.846 18.669 ( 2.073 0.000 -4.005) 4.509 19.118 ( -3.740 0.000 -4.469) 5.828 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -0.474 0.000 3.861) 3.890 2.845 ( -2.690 0.000 -0.663) 2.771 3.774 ( 13.533 0.000 7.864) 15.652 4.041 ( 2.316 0.000 17.536) 17.688 4.114 ( 13.174 0.000 4.238) 13.839 4.959 ( -10.519 0.000 -3.736) 11.163 4.991 ( -1.613 0.000 6.603) 6.798 5.047 ( 9.646 0.000 9.271) 13.379 5.634 ( -4.416 0.000 13.866) 14.553 6.145 ( -28.905 0.000 14.428) 32.306 6.380 ( 18.988 0.000 4.826) 19.591 7.369 ( -12.091 0.000 8.153) 14.583 7.494 ( 12.631 0.000 3.330) 13.063 7.937 ( -3.837 0.000 5.439) 6.657 8.084 ( 3.182 0.000 18.140) 18.417 8.160 ( 7.530 0.000 12.483) 14.578 8.262 ( 1.106 0.000 8.167) 8.242 8.426 ( 0.564 0.000 2.891) 2.946 8.777 ( -4.231 0.000 25.727) 26.072 8.976 ( -2.533 0.000 -2.803) 3.778 9.098 ( 5.637 0.000 -3.374) 6.569 9.355 ( -4.725 0.000 -10.235) 11.273 9.578 ( 18.623 0.000 -1.448) 18.679 10.250 ( -3.090 0.000 -5.013) 5.889 10.783 ( 9.247 0.000 -7.391) 11.838 11.342 ( 0.430 0.000 1.610) 1.666 11.598 ( 1.438 0.000 -0.079) 1.440 11.769 ( 11.515 0.000 9.415) 14.874 12.364 ( -9.373 0.000 5.501) 10.868 12.385 ( -12.478 0.000 1.622) 12.583 12.916 ( 10.812 0.000 6.034) 12.382 13.384 ( 8.145 0.000 3.964) 9.059 13.585 ( -3.902 0.000 19.058) 19.453 13.677 ( -8.027 0.000 8.358) 11.588 13.878 ( 5.889 0.000 4.202) 7.234 14.524 ( -15.803 0.000 -0.906) 15.829 14.940 ( 14.658 0.000 -15.301) 21.189 15.878 ( 0.226 0.000 -16.967) 16.969 16.038 ( -7.884 0.000 -17.736) 19.410 16.061 ( -16.142 0.000 -23.029) 28.123 18.729 ( 4.012 0.000 -4.255) 5.848 19.032 ( -4.948 0.000 -4.664) 6.799 ======================= Grid point 229 (80/120) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 1.144 0.000 2.385) 2.645 2.785 ( -2.868 0.000 0.692) 2.950 4.009 ( 8.241 0.000 12.092) 14.634 4.074 ( 0.372 0.000 14.396) 14.401 4.379 ( 14.007 0.000 -3.543) 14.448 4.675 ( -15.754 0.000 -5.561) 16.707 5.114 ( 14.187 0.000 14.966) 20.622 5.262 ( 8.390 0.000 16.808) 18.785 5.516 ( -7.092 0.000 9.317) 11.709 5.603 ( -23.781 0.000 8.872) 25.382 6.753 ( 18.603 0.000 3.635) 18.955 7.094 ( -15.938 0.000 4.747) 16.630 7.678 ( 7.325 0.000 6.305) 9.665 7.815 ( -7.001 0.000 6.848) 9.793 8.185 ( 5.010 0.000 16.809) 17.540 8.232 ( 0.377 0.000 12.376) 12.382 8.362 ( 4.951 0.000 13.593) 14.466 8.412 ( -1.572 0.000 9.506) 9.635 8.751 ( 3.517 0.000 14.463) 14.885 8.883 ( -7.129 0.000 3.755) 8.058 9.189 ( 3.725 0.000 -7.953) 8.782 9.261 ( -4.234 0.000 -9.635) 10.525 9.911 ( 14.794 0.000 -4.406) 15.436 10.141 ( -8.508 0.000 -5.005) 9.871 10.984 ( 10.935 0.000 -5.570) 12.272 11.200 ( -10.695 0.000 -3.861) 11.371 11.803 ( 14.404 0.000 1.618) 14.494 11.967 ( 6.532 0.000 6.305) 9.079 12.134 ( -11.080 0.000 6.365) 12.778 12.187 ( -8.540 0.000 10.165) 13.276 13.136 ( 11.981 0.000 8.077) 14.449 13.386 ( -13.067 0.000 10.311) 16.646 13.518 ( 5.490 0.000 8.906) 10.462 13.599 ( -2.902 0.000 13.213) 13.528 14.021 ( 8.889 0.000 2.801) 9.320 14.236 ( -13.104 0.000 0.121) 13.105 15.275 ( 19.042 0.000 -18.359) 26.451 15.665 ( -20.274 0.000 -19.775) 28.321 15.898 ( 1.866 0.000 -18.233) 18.328 15.955 ( -3.929 0.000 -19.261) 19.657 18.821 ( 5.276 0.000 -4.569) 6.979 18.929 ( -5.535 0.000 -4.729) 7.281 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 0.000 0.151 7.476) 7.478 2.778 ( 0.000 -1.412 7.786) 7.913 3.457 ( 0.000 -0.717 11.666) 11.688 3.873 ( 0.000 -9.799 22.606) 24.638 3.900 ( 0.000 12.799 -1.335) 12.869 4.641 ( 0.000 9.806 9.146) 13.410 5.069 ( 0.000 -17.592 -3.899) 18.019 5.418 ( 0.000 -5.964 0.073) 5.964 5.743 ( 0.000 3.253 8.830) 9.410 6.118 ( 0.000 20.741 22.659) 30.718 6.354 ( 0.000 -10.170 -5.361) 11.496 7.286 ( 0.000 -2.756 17.255) 17.474 7.654 ( 0.000 0.594 15.094) 15.106 7.799 ( 0.000 -9.096 11.534) 14.690 8.097 ( 0.000 5.198 2.253) 5.665 8.122 ( 0.000 1.383 -2.233) 2.627 8.404 ( 0.000 2.722 -0.030) 2.723 8.524 ( 0.000 -5.493 7.928) 9.645 8.603 ( 0.000 5.798 40.176) 40.592 8.684 ( 0.000 6.606 -13.628) 15.145 9.029 ( 0.000 -2.667 32.953) 33.061 9.177 ( 0.000 6.643 -3.820) 7.663 9.328 ( 0.000 -3.824 -19.438) 19.810 9.981 ( 0.000 -18.228 -13.035) 22.409 10.762 ( 0.000 14.296 -6.052) 15.524 11.177 ( 0.000 -0.782 8.496) 8.532 11.385 ( 0.000 7.280 9.227) 11.753 11.946 ( 0.000 -6.212 10.781) 12.443 12.372 ( 0.000 2.032 -14.084) 14.230 12.675 ( 0.000 -5.483 -8.614) 10.211 12.866 ( 0.000 4.560 -5.335) 7.018 13.003 ( 0.000 -0.222 -0.262) 0.343 13.652 ( 0.000 5.956 19.449) 20.341 13.683 ( 0.000 -1.631 6.245) 6.454 13.995 ( 0.000 1.050 14.921) 14.958 14.386 ( 0.000 -13.062 -6.199) 14.458 15.239 ( 0.000 6.367 -2.686) 6.910 15.773 ( 0.000 -9.376 -13.148) 16.149 16.293 ( 0.000 8.709 -20.388) 22.170 16.711 ( 0.000 -3.144 -24.854) 25.052 18.704 ( 0.000 5.783 -4.038) 7.053 19.150 ( 0.000 -4.359 -4.203) 6.055 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 3.936 -0.502 5.932) 7.137 2.776 ( 0.263 -0.636 6.457) 6.494 3.477 ( 2.070 -0.146 10.015) 10.228 3.870 ( 0.443 -4.941 17.644) 18.328 3.918 ( 1.834 7.729 5.831) 9.855 4.678 ( 4.056 6.227 10.097) 12.537 5.048 ( -2.644 -16.914 -4.452) 17.689 5.299 ( -10.794 -7.465 1.450) 13.204 5.816 ( 8.801 8.304 9.248) 15.230 6.061 ( -2.837 18.396 13.924) 23.245 6.604 ( 19.005 -10.493 1.319) 21.749 7.116 ( -15.826 -1.576 16.335) 22.798 7.643 ( -1.123 -0.016 15.222) 15.264 7.825 ( 2.727 -7.338 11.527) 13.934 8.083 ( -1.500 3.676 1.936) 4.417 8.158 ( 1.958 5.122 0.758) 5.535 8.347 ( -2.608 -1.951 4.203) 5.317 8.488 ( -5.147 7.692 19.816) 21.870 8.644 ( 7.684 -4.157 2.711) 9.148 8.858 ( 11.871 2.825 1.702) 12.321 8.983 ( -4.134 -3.124 30.622) 31.057 9.164 ( 0.298 6.209 -4.650) 7.763 9.377 ( 3.431 -2.095 -15.095) 15.621 10.013 ( 3.211 -17.102 -11.306) 20.751 10.769 ( 0.628 13.899 -5.569) 14.987 11.197 ( 2.138 0.877 8.626) 8.930 11.426 ( 4.755 5.614 8.761) 11.441 11.874 ( -6.364 -3.806 5.548) 9.260 12.453 ( 6.570 -1.694 -7.424) 10.057 12.609 ( -5.525 -4.920 -7.169) 10.302 12.857 ( -1.697 6.584 -3.857) 7.817 13.061 ( 5.849 0.117 -0.018) 5.850 13.614 ( -1.666 2.101 14.603) 14.847 13.725 ( 2.239 0.420 10.218) 10.468 13.957 ( -3.757 0.819 13.966) 14.486 14.414 ( 2.637 -13.730 -6.061) 15.238 15.172 ( -6.263 8.132 -3.594) 10.875 15.773 ( -0.082 -9.280 -13.466) 16.354 16.270 ( -2.427 7.662 -20.441) 21.965 16.628 ( -8.324 -2.532 -24.308) 25.818 18.705 ( 0.253 5.575 -3.980) 6.854 19.133 ( -1.776 -4.128 -4.259) 6.191 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -0.668 0.561 4.964) 5.041 2.849 ( 2.683 -0.815 0.975) 2.969 3.554 ( 6.609 0.140 8.485) 10.756 3.906 ( 3.024 -6.674 18.812) 20.188 3.991 ( 6.197 7.927 6.963) 12.236 4.806 ( 8.672 0.551 11.238) 14.206 4.949 ( -7.347 -14.855 -4.142) 17.082 5.093 ( -8.367 -5.367 4.924) 11.094 5.946 ( -2.734 19.240 11.098) 22.379 6.123 ( 14.495 7.959 6.026) 17.600 6.708 ( -23.472 0.959 15.411) 28.096 6.974 ( 15.052 -14.366 2.244) 20.927 7.631 ( 0.692 3.695 14.888) 15.355 7.906 ( 5.385 -5.177 12.657) 14.697 8.039 ( -2.850 2.829 1.426) 4.261 8.137 ( -2.910 1.980 6.873) 7.722 8.352 ( -1.214 4.877 11.598) 12.640 8.402 ( -0.155 2.220 9.023) 9.294 8.785 ( 4.752 -4.493 2.220) 6.907 8.888 ( -4.210 -6.302 23.441) 24.636 9.053 ( 5.755 2.369 -3.910) 7.350 9.253 ( 8.521 1.724 -5.682) 10.385 9.437 ( 4.050 2.854 -7.173) 8.718 10.096 ( 4.794 -13.664 -8.310) 16.696 10.787 ( 1.415 11.562 -4.039) 12.329 11.276 ( 6.065 2.758 6.808) 9.526 11.567 ( 8.275 2.108 6.982) 11.030 11.736 ( -6.067 0.729 2.844) 6.740 12.451 ( -7.020 -4.701 -3.017) 8.971 12.591 ( 1.430 -3.739 -2.215) 4.575 12.807 ( -0.945 8.789 0.698) 8.867 13.219 ( 9.535 0.466 1.655) 9.689 13.601 ( 0.109 -0.056 13.188) 13.189 13.744 ( -1.682 -2.541 12.698) 13.058 13.863 ( -4.337 1.589 9.408) 10.480 14.458 ( 0.313 -15.766 -4.030) 16.276 15.045 ( -4.462 12.596 -7.808) 15.477 15.771 ( -0.062 -9.053 -14.696) 17.261 16.196 ( -5.124 5.176 -20.339) 21.603 16.399 ( -14.525 -0.763 -23.004) 27.216 18.721 ( 1.481 4.822 -4.008) 6.442 19.083 ( -3.187 -3.388 -4.426) 6.421 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -0.259 1.333 2.907) 3.209 2.850 ( -2.109 0.170 -1.200) 2.432 3.750 ( 12.758 -1.592 9.712) 16.113 3.978 ( 4.098 -5.611 17.053) 18.414 4.147 ( 8.429 3.429 4.017) 9.947 4.766 ( -10.835 -14.162 -2.889) 18.064 4.966 ( 3.888 -1.106 12.172) 12.825 5.056 ( 8.882 -0.602 10.278) 13.597 5.823 ( -8.668 14.065 8.816) 18.726 6.194 ( -26.875 3.800 13.421) 30.279 6.467 ( 17.782 7.911 2.553) 19.629 7.145 ( 1.417 -12.544 4.021) 13.248 7.683 ( 3.797 9.030 11.703) 15.262 7.960 ( -5.405 1.374 3.995) 6.860 8.024 ( 5.829 -5.211 15.772) 17.604 8.137 ( 4.409 -3.936 6.682) 8.920 8.282 ( -2.497 5.543 17.057) 18.108 8.463 ( 2.934 2.858 2.599) 4.851 8.750 ( -4.565 -2.937 26.859) 27.402 8.880 ( -0.280 -7.636 -1.419) 7.771 9.128 ( 3.147 1.963 -7.587) 8.445 9.308 ( -2.335 -3.469 -10.972) 11.741 9.651 ( 15.506 5.908 -1.363) 16.649 10.169 ( 1.595 -7.551 -6.098) 9.836 10.845 ( 5.042 6.315 -3.065) 8.643 11.347 ( -3.315 -1.586 0.098) 3.676 11.649 ( 7.027 5.467 2.578) 9.269 11.812 ( 10.516 3.521 9.246) 14.439 12.309 ( -7.081 -1.483 0.604) 7.260 12.474 ( -11.256 4.181 1.575) 12.110 12.897 ( 8.193 -0.712 4.158) 9.215 13.402 ( 8.433 0.731 5.069) 9.866 13.576 ( -7.763 -7.552 6.955) 12.871 13.630 ( -3.577 3.736 19.885) 20.547 13.861 ( 3.181 -1.280 5.900) 6.824 14.369 ( -9.229 -12.450 0.814) 15.519 15.082 ( 8.700 11.120 -15.513) 20.976 15.776 ( 0.560 -8.321 -17.206) 19.120 16.062 ( -11.794 1.896 -18.530) 22.046 16.097 ( -11.997 2.152 -22.365) 25.471 18.766 ( 3.107 3.438 -4.273) 6.303 19.011 ( -4.108 -2.097 -4.637) 6.540 ======================= Grid point 238 (85/120) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 1.111 1.404 1.190) 2.150 2.798 ( -2.636 1.032 -0.362) 2.853 3.987 ( 8.870 -1.848 12.373) 15.335 4.046 ( 1.818 -2.392 14.271) 14.584 4.296 ( 8.283 -6.192 -0.923) 10.383 4.522 ( -13.407 -11.789 -1.965) 17.961 5.140 ( 14.597 2.333 17.333) 22.780 5.270 ( 8.444 0.073 17.408) 19.348 5.627 ( -10.258 8.083 4.730) 13.890 5.696 ( -20.477 7.307 6.506) 22.694 6.802 ( 15.670 4.803 2.196) 16.536 7.056 ( -9.523 -2.449 3.360) 10.391 7.754 ( 3.763 5.940 8.644) 11.143 7.845 ( -5.579 2.474 7.569) 9.723 8.125 ( 4.315 -4.874 16.829) 18.044 8.186 ( -1.626 -6.356 12.987) 14.550 8.346 ( 8.156 2.686 11.812) 14.604 8.471 ( -3.199 3.224 9.132) 10.199 8.714 ( 2.496 -3.328 15.804) 16.343 8.817 ( -5.702 -5.662 5.239) 9.593 9.186 ( 2.785 -0.164 -9.709) 10.102 9.244 ( -3.349 -1.540 -10.665) 11.284 9.940 ( 12.917 2.588 -3.765) 13.701 10.129 ( -5.948 -1.385 -4.923) 7.844 10.988 ( 9.238 0.971 -3.053) 9.777 11.186 ( -10.344 -1.665 -2.714) 10.823 11.897 ( 15.387 7.991 2.459) 17.512 12.013 ( 9.259 3.228 7.175) 12.150 12.170 ( -7.990 2.457 3.922) 9.234 12.215 ( -13.936 4.670 5.418) 15.665 13.088 ( 11.257 -4.792 5.970) 13.613 13.334 ( -13.371 -6.738 7.115) 16.577 13.538 ( 4.893 2.513 11.040) 12.334 13.602 ( -1.841 2.350 15.373) 15.661 13.967 ( 7.664 -4.716 4.865) 10.230 14.156 ( -11.125 -7.374 3.046) 13.690 15.341 ( 16.386 5.953 -19.602) 26.233 15.676 ( -15.806 0.297 -21.883) 26.995 15.866 ( 1.115 -1.906 -16.661) 16.807 15.952 ( -6.084 -0.737 -19.263) 20.215 18.839 ( 4.214 1.607 -4.592) 6.436 18.926 ( -4.503 -0.348 -4.733) 6.542 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 0.000 0.540 8.035) 8.053 2.743 ( 0.000 -1.700 8.699) 8.864 3.492 ( 0.000 4.781 18.720) 19.321 3.652 ( 0.000 -10.311 21.665) 23.993 4.250 ( 0.000 20.102 -2.901) 20.310 4.676 ( 0.000 -20.551 -3.559) 20.857 4.895 ( 0.000 14.183 6.119) 15.446 5.193 ( 0.000 -14.105 3.611) 14.560 5.883 ( 0.000 9.732 6.076) 11.473 6.114 ( 0.000 -12.230 0.761) 12.254 6.593 ( 0.000 24.181 17.202) 29.676 7.053 ( 0.000 -19.123 14.588) 24.052 7.671 ( 0.000 0.983 15.753) 15.784 7.694 ( 0.000 -1.717 15.365) 15.461 8.185 ( 0.000 4.510 -0.390) 4.527 8.211 ( 0.000 4.299 -0.193) 4.304 8.389 ( 0.000 -3.009 2.065) 3.650 8.393 ( 0.000 -5.599 5.989) 8.199 8.750 ( 0.000 7.666 36.838) 37.627 8.851 ( 0.000 2.661 7.699) 8.146 8.996 ( 0.000 4.677 14.077) 14.834 9.197 ( 0.000 -9.253 -15.329) 17.905 9.352 ( 0.000 10.460 -11.260) 15.369 9.620 ( 0.000 -15.923 -13.953) 21.172 11.012 ( 0.000 9.563 0.404) 9.571 11.143 ( 0.000 -3.377 5.574) 6.517 11.564 ( 0.000 9.922 10.061) 14.130 11.774 ( 0.000 -9.980 10.554) 14.525 12.437 ( 0.000 4.381 -12.294) 13.051 12.548 ( 0.000 -6.229 -9.701) 11.529 12.964 ( 0.000 3.805 -3.883) 5.437 13.002 ( 0.000 -0.338 -1.900) 1.930 13.701 ( 0.000 3.922 4.491) 5.963 13.754 ( 0.000 1.985 15.241) 15.370 14.005 ( 0.000 0.433 13.891) 13.898 14.104 ( 0.000 -11.380 -0.002) 11.380 15.392 ( 0.000 8.308 -6.589) 10.604 15.575 ( 0.000 -9.529 -10.333) 14.056 16.470 ( 0.000 8.162 -22.111) 23.569 16.617 ( 0.000 -5.998 -23.751) 24.496 18.856 ( 0.000 8.429 -4.046) 9.350 19.025 ( 0.000 -7.580 -4.121) 8.628 ======================= Grid point 244 (87/120) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 2.707 -0.289 6.831) 7.353 2.759 ( 1.800 -0.797 6.807) 7.086 3.518 ( 2.579 4.764 17.271) 18.101 3.672 ( 2.009 -9.757 20.519) 22.810 4.239 ( -0.747 19.060 -1.139) 19.109 4.640 ( -2.772 -18.419 -1.588) 18.694 4.878 ( -1.298 8.714 6.499) 10.948 5.096 ( -7.646 -11.201 5.356) 14.581 6.023 ( 13.162 11.907 4.529) 18.318 6.271 ( 12.340 -9.332 -2.330) 15.646 6.570 ( -1.796 17.660 18.345) 25.527 6.948 ( -10.691 -15.140 14.458) 23.507 7.655 ( -0.510 1.491 14.914) 14.997 7.706 ( 1.646 -3.657 15.617) 16.123 8.163 ( -1.433 4.426 4.946) 6.790 8.267 ( -3.043 -5.225 5.191) 7.969 8.318 ( 3.862 9.246 -2.909) 10.434 8.497 ( 5.801 -7.556 -1.551) 9.652 8.696 ( -4.663 8.973 30.396) 32.034 8.853 ( -2.652 -5.683 29.026) 29.696 9.018 ( 4.182 8.195 -4.253) 10.136 9.190 ( 0.463 -6.025 -16.664) 17.725 9.420 ( 5.828 8.694 -7.682) 12.983 9.672 ( 5.068 -15.187 -10.409) 19.096 11.027 ( 1.131 10.553 0.292) 10.617 11.177 ( 3.203 -3.812 5.235) 7.225 11.575 ( 1.641 8.522 9.829) 13.112 11.751 ( -1.973 -7.948 9.554) 12.583 12.446 ( 0.403 1.487 -9.993) 10.111 12.511 ( -2.973 -4.418 -9.132) 10.571 12.986 ( 1.691 5.255 -3.040) 6.303 13.054 ( 5.040 -1.413 -1.465) 5.436 13.678 ( -1.996 4.793 8.057) 9.585 13.747 ( -1.082 -0.065 14.785) 14.824 13.978 ( -2.464 1.995 11.948) 12.361 14.119 ( 1.200 -12.650 -0.538) 12.718 15.359 ( -2.944 9.850 -7.480) 12.713 15.568 ( -0.731 -10.353 -10.826) 14.998 16.425 ( -4.561 7.079 -22.063) 23.616 16.550 ( -6.654 -5.033 -23.493) 24.930 18.852 ( -0.366 8.098 -4.024) 9.051 19.014 ( -1.129 -7.233 -4.149) 8.415 ======================= Grid point 245 (88/120) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 0.969 1.358 3.959) 4.297 2.819 ( 2.514 -1.972 2.078) 3.812 3.595 ( 5.634 4.410 14.835) 16.470 3.733 ( 4.338 -8.507 18.242) 20.591 4.243 ( 1.387 15.363 2.009) 15.556 4.585 ( -3.339 -17.279 -0.695) 17.613 4.874 ( 2.028 3.566 10.050) 10.855 4.973 ( -3.563 -5.829 8.573) 10.962 6.337 ( 8.063 12.260 1.434) 14.743 6.341 ( 1.563 16.762 4.161) 17.341 6.647 ( -16.075 -9.173 11.891) 21.999 6.673 ( 10.023 -12.238 9.898) 18.660 7.689 ( 4.372 2.778 16.440) 17.237 7.773 ( 5.077 -5.720 15.965) 17.703 8.107 ( -4.457 2.748 5.037) 7.266 8.154 ( -6.021 -1.193 4.948) 7.884 8.447 ( 6.552 6.842 -2.781) 9.873 8.543 ( -4.210 6.445 19.005) 20.505 8.653 ( 3.399 -5.553 2.062) 6.830 8.753 ( -6.119 -7.265 32.071) 33.448 9.123 ( 4.522 4.561 -11.111) 12.834 9.222 ( 2.002 -4.216 -14.782) 15.501 9.569 ( 9.765 9.566 -2.671) 13.929 9.808 ( 8.523 -13.456 -6.053) 17.039 11.039 ( -0.118 12.280 0.412) 12.287 11.247 ( 2.768 -6.655 3.214) 7.892 11.645 ( 5.328 5.357 8.098) 11.075 11.732 ( 1.833 -2.090 9.527) 9.925 12.409 ( -3.695 1.141 -7.039) 8.031 12.487 ( 0.189 -5.502 -6.659) 8.640 13.004 ( -0.247 9.824 -0.583) 9.844 13.176 ( 6.467 -5.772 -0.237) 8.672 13.630 ( -2.929 3.760 11.638) 12.576 13.704 ( -2.856 -2.264 18.715) 19.067 13.926 ( -2.531 5.598 6.952) 9.277 14.134 ( -0.203 -14.452 0.237) 14.455 15.304 ( -1.676 12.591 -10.663) 16.584 15.554 ( -0.259 -11.643 -12.809) 17.311 16.296 ( -8.349 4.351 -21.686) 23.641 16.367 ( -11.636 -2.474 -22.729) 25.654 18.847 ( 0.001 6.938 -4.099) 8.058 18.984 ( -1.762 -6.075 -4.284) 7.639 ======================= Grid point 246 (89/120) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.048 2.296 0.654) 2.388 2.836 ( -0.636 -1.689 -1.282) 2.214 3.750 ( 10.102 2.308 13.452) 16.981 3.845 ( 7.044 -6.395 15.857) 18.492 4.264 ( -0.557 8.103 2.697) 8.558 4.479 ( -7.645 -12.794 0.400) 14.910 4.972 ( 7.541 1.622 13.849) 15.853 5.019 ( 9.446 -2.563 12.575) 15.935 6.089 ( -15.925 10.640 6.395) 20.192 6.228 ( -22.913 -2.267 9.396) 24.869 6.675 ( 15.771 11.774 0.502) 19.688 6.911 ( 9.689 -10.837 2.110) 14.689 7.808 ( 6.164 3.617 19.679) 20.937 7.884 ( 5.147 -5.093 17.983) 19.386 8.007 ( -4.428 1.622 1.949) 5.102 8.057 ( -3.271 -3.286 4.366) 6.369 8.451 ( -3.285 9.339 21.542) 23.708 8.546 ( 2.715 4.983 1.411) 5.848 8.646 ( -3.760 -6.448 26.110) 27.156 8.714 ( 1.099 -7.956 -1.101) 8.107 9.174 ( 1.119 2.619 -11.402) 11.752 9.236 ( -0.713 -3.419 -12.497) 12.976 9.795 ( 12.312 8.117 -2.126) 14.899 9.981 ( 8.080 -9.767 -4.647) 13.501 11.027 ( -0.652 10.576 0.474) 10.607 11.236 ( -4.076 -8.735 0.471) 9.650 11.790 ( 10.503 6.532 6.697) 14.065 11.863 ( 9.957 -0.030 9.299) 13.624 12.338 ( -3.529 4.778 -4.525) 7.467 12.467 ( -3.141 -5.451 -4.322) 7.633 12.980 ( -1.454 9.949 2.815) 10.441 13.245 ( -1.560 -13.797 1.275) 13.943 13.581 ( -0.254 6.031 14.815) 15.998 13.678 ( 0.526 -1.417 20.778) 20.833 13.880 ( -2.165 5.476 4.332) 7.311 14.089 ( -4.592 -13.455 3.625) 14.671 15.330 ( 4.847 12.371 -16.174) 20.932 15.573 ( 2.427 -11.135 -16.763) 20.270 16.102 ( -12.289 1.697 -20.180) 23.688 16.120 ( -11.825 0.055 -21.534) 24.567 18.855 ( 0.818 4.807 -4.370) 6.548 18.948 ( -1.918 -3.996 -4.529) 6.337 ======================= Grid point 247 (90/120) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 0.422 1.574 -1.228) 2.041 2.812 ( -1.367 -0.008 -1.987) 2.412 3.958 ( 9.251 -0.204 12.989) 15.948 3.990 ( 6.418 -2.802 13.777) 15.455 4.214 ( -2.695 -0.299 2.708) 3.833 4.300 ( -9.716 -8.347 2.239) 13.004 5.198 ( 13.660 3.045 18.635) 23.305 5.252 ( 10.790 -1.901 18.355) 21.377 5.769 ( -14.092 4.979 2.253) 15.115 5.806 ( -17.446 1.957 3.317) 17.866 6.929 ( 9.375 6.419 -0.474) 11.372 7.017 ( 0.656 -2.077 0.365) 2.209 7.860 ( 0.091 3.435 11.732) 12.225 7.884 ( -2.713 0.688 9.416) 9.824 8.024 ( 3.489 -3.122 15.842) 16.519 8.050 ( 0.914 -5.063 15.050) 15.905 8.445 ( 2.821 5.921 12.507) 14.122 8.524 ( -3.874 0.624 9.786) 10.543 8.638 ( 2.010 -2.333 13.519) 13.865 8.692 ( -2.805 -5.673 7.103) 9.513 9.188 ( 0.733 0.523 -11.713) 11.747 9.210 ( -1.482 -1.538 -12.001) 12.189 10.006 ( 8.115 3.619 -3.420) 9.521 10.080 ( 0.999 -3.303 -4.240) 5.466 11.038 ( 2.384 3.817 0.047) 4.501 11.125 ( -5.981 -4.079 -0.237) 7.244 12.031 ( 11.930 3.462 7.080) 14.298 12.060 ( 8.577 0.581 7.800) 11.607 12.265 ( -3.529 7.683 -3.083) 8.999 12.341 ( -9.228 3.295 -3.253) 10.325 12.993 ( 3.697 -1.133 4.555) 5.975 13.122 ( -8.417 -11.488 4.127) 14.828 13.635 ( 4.115 6.135 16.227) 17.830 13.691 ( -0.726 3.679 20.143) 20.489 13.867 ( 2.262 -2.720 4.148) 5.452 13.969 ( -6.829 -9.567 5.816) 13.115 15.488 ( 10.368 7.662 -21.562) 25.122 15.628 ( 0.371 -5.276 -23.267) 23.861 15.867 ( -7.602 2.032 -16.394) 18.185 15.918 ( -8.857 -2.389 -18.404) 20.563 18.878 ( 1.489 1.939 -4.651) 5.255 18.911 ( -1.823 -1.176 -4.712) 5.188 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 0.000 0.000 1.207) 1.207 2.859 ( 0.000 0.000 -0.037) 0.037 3.450 ( 0.000 0.000 -3.334) 3.334 3.927 ( 0.000 0.000 9.482) 9.482 4.419 ( 0.000 0.000 19.345) 19.345 4.712 ( 0.000 0.000 6.371) 6.371 5.195 ( 0.000 0.000 -7.133) 7.133 5.342 ( 0.000 0.000 -3.257) 3.257 5.860 ( 0.000 0.000 5.248) 5.248 6.327 ( 0.000 0.000 -4.547) 4.547 6.408 ( 0.000 0.000 20.733) 20.733 7.647 ( 0.000 0.000 15.034) 15.034 7.849 ( 0.000 0.000 5.270) 5.270 7.952 ( 0.000 0.000 -4.563) 4.563 8.118 ( 0.000 0.000 3.897) 3.897 8.195 ( 0.000 0.000 9.654) 9.654 8.342 ( 0.000 0.000 -13.000) 13.000 8.348 ( 0.000 0.000 0.019) 0.019 8.745 ( 0.000 0.000 7.855) 7.855 8.974 ( 0.000 0.000 -3.573) 3.573 9.005 ( 0.000 0.000 -14.142) 14.142 9.281 ( 0.000 0.000 28.344) 28.344 9.780 ( 0.000 0.000 27.155) 27.155 10.139 ( 0.000 0.000 -3.308) 3.308 10.284 ( 0.000 0.000 -9.941) 9.941 11.375 ( 0.000 0.000 7.858) 7.858 11.497 ( 0.000 0.000 11.125) 11.125 12.017 ( 0.000 0.000 -16.076) 16.076 12.192 ( 0.000 0.000 6.918) 6.918 12.560 ( 0.000 0.000 -7.499) 7.499 12.676 ( 0.000 0.000 -7.971) 7.971 13.091 ( 0.000 0.000 5.626) 5.626 13.861 ( 0.000 0.000 5.759) 5.759 13.916 ( 0.000 0.000 12.994) 12.994 14.277 ( 0.000 0.000 15.288) 15.288 14.373 ( 0.000 0.000 -7.939) 7.939 15.194 ( 0.000 0.000 3.960) 3.960 15.645 ( 0.000 0.000 -10.449) 10.449 15.761 ( 0.000 0.000 -19.725) 19.725 16.224 ( 0.000 0.000 -24.626) 24.626 18.570 ( 0.000 0.000 -2.840) 2.840 19.106 ( 0.000 0.000 -4.203) 4.203 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 1.703 0.000 -0.153) 1.710 2.845 ( -1.355 0.000 0.144) 1.363 3.474 ( 3.029 0.000 -1.785) 3.516 3.961 ( 3.507 0.000 8.875) 9.543 4.410 ( -0.804 0.000 18.894) 18.912 4.781 ( 6.728 0.000 5.913) 8.957 5.158 ( -3.890 0.000 -7.088) 8.085 5.274 ( -6.738 0.000 -2.834) 7.310 5.887 ( 3.520 0.000 5.455) 6.492 6.140 ( -5.542 0.000 7.623) 9.424 6.785 ( 23.558 0.000 8.152) 24.928 7.458 ( -17.176 0.000 15.164) 22.912 7.873 ( -3.216 0.000 6.276) 7.052 7.973 ( 2.291 0.000 -3.684) 4.339 8.021 ( -1.853 0.000 1.568) 2.427 8.219 ( 1.158 0.000 6.411) 6.514 8.338 ( -0.321 0.000 -11.041) 11.046 8.419 ( 3.865 0.000 2.119) 4.408 8.780 ( 3.306 0.000 5.848) 6.718 8.878 ( -3.467 0.000 -6.035) 6.960 9.127 ( 6.255 0.000 -9.588) 11.448 9.331 ( 5.057 0.000 25.672) 26.165 9.726 ( -5.092 0.000 25.323) 25.830 10.167 ( 2.523 0.000 -2.291) 3.408 10.331 ( 4.660 0.000 -8.381) 9.590 11.355 ( -1.164 0.000 7.169) 7.263 11.571 ( 7.225 0.000 11.238) 13.360 11.839 ( -10.916 0.000 -8.464) 13.813 12.415 ( 13.869 0.000 -0.573) 13.880 12.588 ( 3.171 0.000 -3.465) 4.697 12.640 ( -3.615 0.000 -7.174) 8.033 13.128 ( 4.218 0.000 5.354) 6.815 13.840 ( -1.597 0.000 3.397) 3.754 13.919 ( 0.222 0.000 12.474) 12.476 14.230 ( -4.711 0.000 14.988) 15.711 14.416 ( 4.104 0.000 -7.025) 8.136 15.091 ( -9.981 0.000 2.895) 10.393 15.630 ( -1.421 0.000 -10.866) 10.958 15.759 ( -0.615 0.000 -19.152) 19.162 16.153 ( -7.096 0.000 -23.367) 24.421 18.572 ( 0.389 0.000 -2.961) 2.986 19.083 ( -2.282 0.000 -4.363) 4.924 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -1.781 0.000 0.491) 1.848 2.837 ( -0.043 0.000 -2.106) 2.107 3.601 ( 10.492 0.000 0.953) 10.535 4.060 ( 6.377 0.000 6.902) 9.397 4.392 ( -1.046 0.000 17.146) 17.178 4.960 ( 11.092 0.000 4.951) 12.147 5.041 ( -8.012 0.000 -6.499) 10.317 5.132 ( -5.848 0.000 0.288) 5.855 5.930 ( -1.745 0.000 6.394) 6.628 6.178 ( 10.200 0.000 5.512) 11.594 7.016 ( -26.985 0.000 14.686) 30.722 7.243 ( 21.796 0.000 6.980) 22.886 7.701 ( -11.469 0.000 2.419) 11.721 8.054 ( 6.567 0.000 -1.425) 6.720 8.066 ( 2.200 0.000 2.595) 3.402 8.252 ( 2.501 0.000 5.755) 6.275 8.331 ( -0.432 0.000 -7.314) 7.326 8.452 ( 0.530 0.000 2.508) 2.564 8.858 ( 4.164 0.000 2.191) 4.705 8.870 ( 2.221 0.000 -4.369) 4.901 9.213 ( 1.962 0.000 -7.103) 7.369 9.459 ( 5.774 0.000 19.785) 20.610 9.610 ( -4.527 0.000 21.697) 22.165 10.218 ( 1.988 0.000 -0.167) 1.995 10.458 ( 8.176 0.000 -6.475) 10.430 11.361 ( 1.782 0.000 4.764) 5.086 11.640 ( -8.773 0.000 -5.673) 10.448 11.760 ( 11.488 0.000 11.476) 16.238 12.537 ( -6.903 0.000 -5.142) 8.607 12.551 ( 0.655 0.000 0.271) 0.709 12.761 ( 12.824 0.000 3.637) 13.330 13.270 ( 9.902 0.000 4.967) 11.078 13.829 ( 1.426 0.000 -0.898) 1.685 13.915 ( -1.107 0.000 10.011) 10.072 14.096 ( -8.604 0.000 15.109) 17.387 14.522 ( 6.716 0.000 -6.398) 9.275 14.836 ( -15.159 0.000 1.697) 15.254 15.594 ( -2.046 0.000 -12.071) 12.243 15.722 ( -3.422 0.000 -19.258) 19.560 15.955 ( -12.637 0.000 -19.788) 23.479 18.591 ( 1.604 0.000 -3.437) 3.793 19.020 ( -4.118 0.000 -4.769) 6.301 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -1.175 0.000 0.646) 1.341 2.816 ( -1.722 0.000 -1.782) 2.478 3.877 ( 16.812 0.000 2.148) 16.949 4.195 ( 6.759 0.000 3.897) 7.802 4.369 ( -1.319 0.000 13.955) 14.017 4.841 ( -12.167 0.000 -5.582) 13.386 5.107 ( 4.544 0.000 4.579) 6.451 5.202 ( 13.058 0.000 4.662) 13.865 5.845 ( -6.255 0.000 6.813) 9.249 6.438 ( -31.111 0.000 13.105) 33.758 6.456 ( 16.597 0.000 2.707) 16.816 7.447 ( -14.466 0.000 1.193) 14.515 7.593 ( 13.537 0.000 6.295) 14.929 8.043 ( -4.176 0.000 3.012) 5.149 8.246 ( 11.560 0.000 0.153) 11.561 8.299 ( 1.342 0.000 1.045) 1.701 8.329 ( 1.618 0.000 -3.065) 3.466 8.515 ( 6.605 0.000 8.601) 10.845 8.928 ( 2.704 0.000 -0.053) 2.705 8.929 ( 2.976 0.000 -2.574) 3.934 9.196 ( -3.440 0.000 -4.727) 5.846 9.379 ( -9.372 0.000 18.268) 20.532 9.724 ( 11.385 0.000 12.111) 16.622 10.223 ( -1.864 0.000 1.631) 2.477 10.646 ( 10.770 0.000 -5.469) 12.079 11.319 ( -8.422 0.000 -2.922) 8.915 11.604 ( 7.156 0.000 0.667) 7.187 11.989 ( 10.635 0.000 11.078) 15.357 12.379 ( -8.514 0.000 -1.920) 8.728 12.525 ( -2.804 0.000 8.890) 9.322 13.006 ( 12.261 0.000 3.275) 12.691 13.468 ( 9.424 0.000 4.770) 10.563 13.808 ( -11.518 0.000 5.090) 12.593 13.925 ( 8.235 0.000 -0.709) 8.265 13.951 ( -4.886 0.000 15.768) 16.508 14.532 ( -14.907 0.000 2.228) 15.072 14.686 ( 10.464 0.000 -8.459) 13.455 15.559 ( -1.341 0.000 -13.762) 13.827 15.598 ( -11.723 0.000 -21.506) 24.493 15.706 ( -9.575 0.000 -14.091) 17.036 18.639 ( 3.334 0.000 -4.243) 5.396 18.927 ( -5.220 0.000 -5.196) 7.365 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 0.047 0.000 0.365) 0.368 2.784 ( -1.321 0.000 -0.503) 1.414 4.212 ( 15.218 0.000 5.470) 16.171 4.312 ( 6.437 0.000 -0.511) 6.457 4.337 ( -2.206 0.000 10.497) 10.726 4.570 ( -15.271 0.000 -4.219) 15.843 5.338 ( 18.603 0.000 6.960) 19.862 5.452 ( 11.693 0.000 3.693) 12.262 5.691 ( -9.127 0.000 7.449) 11.781 5.842 ( -28.243 0.000 12.290) 30.801 6.797 ( 17.744 0.000 1.074) 17.777 7.139 ( -16.872 0.000 0.614) 16.883 7.795 ( 8.069 0.000 5.974) 10.040 7.934 ( -6.416 0.000 5.163) 8.235 8.305 ( 0.091 0.000 -4.580) 4.581 8.308 ( -0.058 0.000 -3.706) 3.706 8.544 ( 12.469 0.000 6.118) 13.889 8.645 ( 3.488 0.000 12.164) 12.655 8.956 ( 0.164 0.000 1.329) 1.339 8.960 ( -0.262 0.000 1.605) 1.626 9.123 ( -1.447 0.000 -2.542) 2.925 9.196 ( -7.994 0.000 9.826) 12.667 9.952 ( 11.090 0.000 6.450) 12.829 10.135 ( -7.168 0.000 3.298) 7.890 10.872 ( 12.057 0.000 -4.904) 13.016 11.109 ( -11.894 0.000 -4.484) 12.711 11.820 ( 12.874 0.000 0.447) 12.882 12.048 ( -7.889 0.000 1.677) 8.066 12.315 ( 5.094 0.000 10.265) 11.460 12.442 ( -5.784 0.000 12.940) 14.174 13.253 ( 13.271 0.000 3.693) 13.775 13.532 ( -15.009 0.000 4.699) 15.727 13.651 ( 9.791 0.000 4.547) 10.796 13.835 ( -8.019 0.000 9.024) 12.072 14.104 ( 8.969 0.000 4.599) 10.079 14.283 ( -10.316 0.000 5.065) 11.493 14.945 ( 15.808 0.000 -12.886) 20.395 15.283 ( -17.860 0.000 -16.895) 24.585 15.551 ( 0.762 0.000 -15.199) 15.218 15.594 ( -3.626 0.000 -15.510) 15.928 18.719 ( 4.781 0.000 -5.000) 6.918 18.821 ( -5.454 0.000 -5.341) 7.634 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 0.000 0.545 1.434) 1.534 2.854 ( 0.000 -0.472 0.314) 0.567 3.558 ( 0.000 9.534 0.344) 9.540 3.998 ( 0.000 7.481 8.028) 10.973 4.301 ( 0.000 -10.485 18.780) 21.509 4.781 ( 0.000 6.528 4.704) 8.046 4.974 ( 0.000 -15.806 -4.765) 16.508 5.368 ( 0.000 -2.941 -3.433) 4.520 5.883 ( 0.000 2.672 5.010) 5.678 6.262 ( 0.000 -5.779 -2.938) 6.483 6.571 ( 0.000 14.732 18.672) 23.784 7.608 ( 0.000 -6.911 12.578) 14.351 7.864 ( 0.000 1.392 5.697) 5.865 7.924 ( 0.000 -0.035 2.975) 2.975 8.146 ( 0.000 -1.815 2.007) 2.705 8.150 ( 0.000 2.887 2.700) 3.953 8.382 ( 0.000 2.712 -1.756) 3.231 8.460 ( 0.000 8.728 -6.869) 11.107 8.678 ( 0.000 -6.179 7.193) 9.482 8.972 ( 0.000 -3.142 -11.389) 11.814 8.992 ( 0.000 2.139 -5.182) 5.606 9.343 ( 0.000 5.150 25.792) 26.301 9.760 ( 0.000 -2.211 27.266) 27.355 9.762 ( 0.000 -20.178 -7.323) 21.466 10.649 ( 0.000 19.389 -4.626) 19.933 11.339 ( 0.000 -3.035 7.070) 7.694 11.579 ( 0.000 6.800 8.972) 11.258 12.071 ( 0.000 5.257 -12.821) 13.857 12.132 ( 0.000 -5.787 7.460) 9.441 12.526 ( 0.000 -3.708 -5.967) 7.025 12.722 ( 0.000 4.334 -8.407) 9.459 13.016 ( 0.000 -5.417 1.564) 5.638 13.790 ( 0.000 -4.933 3.948) 6.318 13.996 ( 0.000 4.454 12.989) 13.732 14.264 ( 0.000 -7.643 -4.755) 9.002 14.330 ( 0.000 3.473 17.332) 17.676 15.220 ( 0.000 2.140 1.388) 2.551 15.512 ( 0.000 -8.066 -12.441) 14.827 15.886 ( 0.000 7.524 -18.208) 19.702 16.201 ( 0.000 -2.177 -24.029) 24.128 18.631 ( 0.000 5.684 -2.940) 6.399 19.063 ( 0.000 -4.154 -4.050) 5.801 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 1.251 0.093 0.062) 1.256 2.842 ( -1.124 -0.260 0.325) 1.198 3.575 ( 2.202 9.024 1.451) 9.401 4.028 ( 2.985 6.835 7.658) 10.690 4.298 ( -0.218 -9.948 18.217) 20.758 4.828 ( 4.829 4.204 4.863) 8.039 4.947 ( -2.834 -14.751 -4.859) 15.787 5.280 ( -7.600 -3.374 -2.051) 8.564 5.950 ( 7.354 5.325 4.361) 10.072 6.225 ( -2.741 5.540 2.350) 6.613 6.770 ( 16.607 0.960 12.588) 20.861 7.437 ( -16.349 -4.261 13.712) 21.759 7.828 ( -1.393 -0.838 4.312) 4.608 8.007 ( 5.396 0.457 5.965) 8.057 8.092 ( -3.607 5.971 -0.557) 6.998 8.173 ( 1.824 -0.800 -0.474) 2.047 8.372 ( -1.218 -0.020 -1.358) 1.824 8.499 ( 2.716 8.615 -3.893) 9.837 8.696 ( 1.604 -7.231 4.109) 8.470 8.914 ( -1.311 2.751 -5.604) 6.379 9.085 ( 5.045 -3.279 -5.992) 8.492 9.394 ( 4.784 4.532 21.312) 22.308 9.637 ( -6.240 -9.789 15.389) 19.277 9.893 ( 7.130 -11.473 5.328) 14.521 10.662 ( 1.320 18.616 -4.402) 19.175 11.352 ( 1.197 -1.430 6.354) 6.622 11.605 ( 2.846 4.143 7.142) 8.733 11.893 ( -8.123 4.361 -1.862) 9.406 12.358 ( 12.475 -5.220 -0.842) 13.550 12.493 ( -3.012 -5.333 -4.210) 7.433 12.746 ( 2.373 6.464 -6.602) 9.539 13.074 ( 5.951 -4.168 1.465) 7.412 13.756 ( -2.611 -4.453 2.936) 5.939 14.007 ( 0.603 4.585 12.676) 13.493 14.281 ( -4.841 3.265 17.186) 18.151 14.301 ( 3.578 -8.746 -4.473) 10.455 15.128 ( -8.608 3.337 -0.346) 9.238 15.511 ( -0.470 -7.859 -11.911) 14.277 15.864 ( -2.349 6.531 -18.216) 19.494 16.134 ( -6.746 -1.850 -22.954) 23.996 18.632 ( 0.129 5.454 -3.067) 6.258 19.042 ( -2.022 -3.917 -4.212) 6.097 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -1.693 -0.153 -0.026) 1.700 2.835 ( -0.196 -0.317 -1.797) 1.835 3.673 ( 8.287 6.632 3.601) 11.208 4.111 ( 5.327 5.077 6.113) 9.567 4.296 ( 0.066 -8.430 16.319) 18.368 4.856 ( -6.101 -13.393 -4.099) 15.277 4.973 ( 9.487 1.259 4.719) 10.671 5.142 ( -4.897 -1.511 0.944) 5.211 6.088 ( -0.763 12.790 3.115) 13.186 6.228 ( 9.300 4.658 4.115) 11.186 7.014 ( -25.456 -1.069 13.499) 28.833 7.099 ( 14.106 -10.495 8.704) 19.619 7.812 ( -0.883 7.098 4.357) 8.375 8.032 ( 0.377 1.358 -1.192) 1.846 8.126 ( 4.267 1.013 7.540) 8.723 8.210 ( 2.009 -0.525 -0.618) 2.167 8.359 ( 0.629 -0.324 -3.456) 3.528 8.511 ( -1.063 7.039 0.407) 7.131 8.755 ( 4.375 -6.490 0.362) 7.836 8.930 ( 2.224 3.090 -3.177) 4.959 9.160 ( 2.046 -4.151 -3.861) 6.027 9.445 ( -4.660 -7.037 15.447) 17.602 9.587 ( 5.817 2.492 17.384) 18.500 10.037 ( 7.291 -10.189 3.283) 12.951 10.697 ( 2.299 15.800 -3.973) 16.453 11.379 ( 0.702 -0.599 2.754) 2.904 11.631 ( -1.373 2.458 -0.916) 2.961 11.851 ( 5.611 6.458 9.261) 12.607 12.416 ( -3.956 -6.952 -1.350) 8.112 12.545 ( 4.375 -4.931 -1.455) 6.751 12.816 ( 5.413 5.662 0.314) 7.839 13.247 ( 11.185 -2.827 1.515) 11.636 13.715 ( -1.430 -4.220 1.009) 4.569 14.008 ( -0.723 3.825 9.948) 10.682 14.150 ( -7.784 3.696 18.062) 20.012 14.392 ( 5.050 -10.503 -2.552) 11.930 14.921 ( -11.276 7.089 -3.922) 13.885 15.487 ( -1.947 -7.978 -12.710) 15.133 15.793 ( -4.914 4.417 -18.449) 19.596 15.948 ( -11.837 -0.786 -19.896) 23.164 18.642 ( 1.015 4.685 -3.539) 5.959 18.987 ( -3.583 -3.186 -4.632) 6.667 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -1.258 -0.180 -0.036) 1.271 2.813 ( -1.765 -0.431 -2.091) 2.770 3.897 ( 14.014 2.267 4.308) 14.835 4.218 ( 4.925 2.098 4.006) 6.686 4.300 ( 0.250 -5.919 12.971) 14.259 4.703 ( -9.620 -10.656 -3.059) 14.678 5.136 ( 5.820 1.578 5.051) 7.866 5.200 ( 12.941 -0.317 4.205) 13.610 5.963 ( -9.483 9.799 4.645) 14.406 6.424 ( -17.955 -1.248 5.901) 18.941 6.548 ( 4.497 7.958 7.738) 11.976 7.246 ( -0.334 -11.511 5.911) 12.944 7.796 ( 0.544 11.331 2.129) 11.543 8.058 ( -2.587 1.308 3.382) 4.454 8.186 ( 6.156 -4.264 3.259) 8.167 8.298 ( 6.695 -0.786 1.086) 6.828 8.394 ( 1.679 4.641 -2.519) 5.541 8.519 ( 3.435 1.767 6.639) 7.681 8.842 ( 4.064 -4.934 0.083) 6.393 8.974 ( 1.889 1.717 -3.482) 4.317 9.150 ( -2.983 -3.518 -2.042) 5.044 9.292 ( -9.071 -8.425 14.980) 19.434 9.774 ( 11.230 4.542 10.817) 16.240 10.151 ( 3.358 -5.819 3.446) 7.551 10.764 ( 4.967 9.982 -4.125) 11.888 11.304 ( -8.354 -2.236 -3.415) 9.297 11.691 ( 8.609 8.183 1.467) 11.968 12.021 ( 9.349 2.727 10.276) 14.157 12.338 ( -4.080 -3.124 0.417) 5.156 12.527 ( -4.839 -1.396 4.438) 6.713 12.967 ( 9.430 -2.015 2.897) 10.069 13.466 ( 9.295 -4.584 1.836) 10.525 13.674 ( -3.980 -3.370 2.377) 5.732 13.944 ( -4.969 4.151 9.643) 11.615 14.064 ( 0.444 3.449 15.097) 15.492 14.431 ( -3.954 -8.963 4.929) 10.966 14.785 ( 1.246 8.730 -12.893) 15.621 15.434 ( -4.055 -8.365 -15.987) 18.493 15.664 ( -9.315 2.849 -19.044) 21.391 15.712 ( -9.329 0.482 -14.885) 17.573 18.675 ( 2.452 3.330 -4.310) 5.973 18.907 ( -4.424 -1.952 -5.097) 7.026 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -0.003 -0.353 -0.381) 0.520 2.780 ( -1.360 -0.439 -1.150) 1.835 4.187 ( 14.327 -2.116 4.694) 15.224 4.288 ( 2.244 -1.425 2.685) 3.778 4.302 ( 0.133 -3.274 9.584) 10.128 4.480 ( -12.903 -7.100 -1.482) 14.802 5.383 ( 18.865 3.418 6.609) 20.280 5.473 ( 14.573 1.381 3.735) 15.107 5.738 ( -13.272 4.129 5.828) 15.072 5.879 ( -27.333 2.650 9.873) 29.182 6.839 ( 15.581 4.186 1.811) 16.234 7.113 ( -11.648 -1.831 2.747) 12.107 7.852 ( 4.683 4.111 3.643) 7.218 7.959 ( -5.861 1.557 4.572) 7.595 8.295 ( 3.896 -0.544 -1.525) 4.219 8.351 ( -1.759 4.563 -4.508) 6.651 8.517 ( 9.655 -2.636 9.282) 13.650 8.604 ( 2.018 -2.951 8.630) 9.342 8.913 ( 3.695 -2.401 3.632) 5.710 8.988 ( -1.698 0.738 0.456) 1.907 9.073 ( -2.485 -3.995 -0.824) 4.776 9.125 ( -6.829 -6.286 6.271) 11.202 9.990 ( 10.079 3.272 6.575) 12.471 10.140 ( -4.565 0.062 4.484) 6.399 10.905 ( 9.272 3.234 -4.415) 10.767 11.107 ( -10.835 -0.408 -4.290) 11.660 11.910 ( 12.303 8.221 -0.167) 14.798 12.107 ( -4.690 4.866 1.274) 6.878 12.300 ( 3.408 -1.006 8.792) 9.483 12.411 ( -6.212 -2.655 11.072) 12.970 13.174 ( 11.808 -6.705 2.817) 13.868 13.420 ( -12.118 -10.764 1.932) 16.322 13.714 ( 8.156 6.256 6.707) 12.273 13.857 ( -5.456 4.040 10.044) 12.123 14.130 ( 5.709 0.489 10.219) 11.716 14.275 ( -8.915 -1.957 8.119) 12.216 14.961 ( 13.839 2.211 -16.775) 21.859 15.254 ( -14.353 -2.851 -18.778) 23.807 15.542 ( -0.708 -0.481 -14.628) 14.653 15.588 ( -4.571 -0.621 -15.718) 16.381 18.737 ( 3.759 1.564 -5.015) 6.459 18.818 ( -4.473 -0.299 -5.298) 6.940 ======================= Grid point 288 (101/120) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 0.000 1.028 1.631) 1.927 2.839 ( 0.000 -0.979 1.123) 1.489 3.787 ( 0.000 12.034 9.814) 15.528 4.047 ( 0.000 -13.218 16.320) 21.001 4.246 ( 0.000 16.253 2.405) 16.430 4.615 ( 0.000 -18.604 -2.102) 18.723 4.967 ( 0.000 11.224 1.560) 11.332 5.209 ( 0.000 -11.202 -1.120) 11.258 5.975 ( 0.000 6.147 3.236) 6.947 6.120 ( 0.000 -7.529 0.266) 7.534 6.942 ( 0.000 19.967 15.032) 24.993 7.338 ( 0.000 -17.625 11.885) 21.258 7.901 ( 0.000 2.120 6.786) 7.110 7.937 ( 0.000 -0.723 8.340) 8.372 8.181 ( 0.000 4.418 -0.258) 4.425 8.212 ( 0.000 2.046 0.411) 2.087 8.418 ( 0.000 1.662 1.148) 2.020 8.520 ( 0.000 -8.047 5.613) 9.812 8.677 ( 0.000 11.398 -6.852) 13.299 8.872 ( 0.000 -7.003 -8.184) 10.771 9.084 ( 0.000 7.470 -8.742) 11.499 9.312 ( 0.000 -13.138 -6.143) 14.504 9.550 ( 0.000 4.593 22.321) 22.788 9.678 ( 0.000 -5.774 26.983) 27.594 11.001 ( 0.000 14.583 -1.444) 14.654 11.233 ( 0.000 -7.956 2.678) 8.394 11.753 ( 0.000 9.965 7.910) 12.723 11.965 ( 0.000 -9.965 8.027) 12.796 12.221 ( 0.000 8.757 -6.696) 11.024 12.401 ( 0.000 -8.123 -4.045) 9.075 12.833 ( 0.000 5.623 -8.331) 10.051 12.925 ( 0.000 -3.627 -5.052) 6.219 13.743 ( 0.000 1.993 0.687) 2.108 13.892 ( 0.000 -11.010 -0.641) 11.029 14.274 ( 0.000 5.997 14.868) 16.031 14.360 ( 0.000 -1.340 19.093) 19.140 15.274 ( 0.000 3.268 -4.496) 5.558 15.365 ( 0.000 -5.889 -10.254) 11.825 16.028 ( 0.000 6.158 -20.059) 20.983 16.135 ( 0.000 -4.262 -22.358) 22.761 18.780 ( 0.000 8.188 -3.237) 8.804 18.943 ( 0.000 -7.278 -3.665) 8.149 ======================= Grid point 289 (102/120) ======================= q-point: ( 0.11 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 0.278 0.449 0.522) 0.742 2.834 ( -0.568 -0.558 0.618) 1.008 3.797 ( 1.214 11.836 9.709) 15.357 4.050 ( 0.460 -12.631 15.754) 20.198 4.258 ( 1.229 14.718 2.746) 15.022 4.601 ( -1.359 -17.553 -1.677) 17.685 4.967 ( 0.464 8.145 2.286) 8.473 5.146 ( -4.817 -8.611 0.313) 9.872 6.085 ( 10.410 7.507 2.020) 12.992 6.229 ( 8.777 -5.254 -1.167) 10.296 6.929 ( -1.220 13.933 15.160) 20.626 7.238 ( -10.419 -14.090 12.384) 21.459 7.875 ( -0.464 4.161 7.320) 8.433 7.961 ( 2.122 -3.899 8.566) 9.647 8.205 ( 0.391 4.836 -0.738) 4.908 8.252 ( 4.548 4.505 -3.142) 7.131 8.350 ( -5.575 0.876 2.451) 6.152 8.509 ( -0.576 -10.149 2.712) 10.521 8.730 ( 4.296 12.307 -5.609) 14.191 8.926 ( 4.386 -4.953 -6.659) 9.386 9.068 ( -1.090 5.113 -3.729) 6.422 9.284 ( -3.007 -14.189 -1.499) 14.581 9.583 ( 3.812 6.505 21.027) 22.338 9.729 ( 4.836 -6.951 19.413) 21.180 11.011 ( 0.728 14.866 -1.684) 14.979 11.253 ( 1.669 -8.506 1.801) 8.853 11.754 ( 0.304 9.551 6.777) 11.715 11.924 ( -2.326 -4.245 7.717) 9.109 12.284 ( 4.297 1.012 -4.526) 6.322 12.379 ( -1.354 -5.981 -3.090) 6.867 12.879 ( 4.050 6.128 -6.910) 10.084 12.987 ( 5.954 -4.483 -4.432) 8.671 13.741 ( 0.163 4.275 0.652) 4.328 13.924 ( 2.774 -11.373 1.163) 11.764 14.253 ( -1.913 4.000 13.542) 14.249 14.315 ( -4.359 -0.830 18.793) 19.310 15.219 ( -5.111 5.504 -6.032) 9.633 15.352 ( -1.613 -7.353 -10.052) 12.559 15.987 ( -4.153 5.296 -19.790) 20.903 16.078 ( -5.707 -3.610 -21.680) 22.707 18.774 ( -0.538 7.820 -3.383) 8.537 18.929 ( -1.353 -6.905 -3.826) 8.009 ======================= Grid point 290 (103/120) ======================= q-point: ( 0.22 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -1.389 0.347 -0.694) 1.591 2.823 ( -0.753 -0.738 -1.211) 1.606 3.850 ( 4.604 10.151 9.546) 14.675 4.072 ( 2.028 -11.091 14.174) 18.111 4.292 ( 1.979 11.047 2.663) 11.534 4.562 ( -2.762 -14.510 -1.175) 14.818 5.015 ( 5.117 2.836 3.928) 7.047 5.083 ( -0.367 -3.596 2.795) 4.570 6.326 ( 9.535 7.369 -1.577) 12.153 6.343 ( 2.566 5.211 -0.416) 5.823 6.919 ( -1.928 -4.243 13.197) 13.996 6.952 ( -13.784 -4.936 12.910) 19.520 7.930 ( 6.159 5.162 7.597) 11.059 8.032 ( 4.854 -4.089 7.784) 10.044 8.155 ( -4.700 4.726 0.420) 6.678 8.233 ( -6.209 -1.274 2.867) 6.956 8.368 ( 6.661 4.689 -5.386) 9.765 8.530 ( 2.826 -8.480 -1.845) 9.128 8.798 ( 1.763 13.185 -0.934) 13.336 8.993 ( 1.840 1.188 -3.942) 4.510 9.068 ( 1.209 -3.526 -0.575) 3.772 9.195 ( -5.849 -13.430 7.994) 16.688 9.703 ( 8.206 7.104 14.218) 17.888 9.857 ( 7.970 -7.882 10.626) 15.446 11.017 ( -0.398 14.612 -2.140) 14.773 11.270 ( -0.865 -9.546 -0.861) 9.623 11.780 ( 3.103 10.121 4.757) 11.605 11.932 ( 3.673 -1.529 9.660) 10.447 12.310 ( -0.760 -0.799 -2.784) 2.994 12.402 ( 2.728 -7.487 -0.855) 8.014 12.961 ( 3.713 8.055 -3.136) 9.408 13.132 ( 7.818 -7.937 -3.217) 11.596 13.756 ( 1.379 8.238 2.198) 8.637 13.974 ( 1.778 -9.406 6.280) 11.448 14.196 ( -5.604 1.248 16.016) 17.014 14.230 ( -1.338 -2.630 11.624) 11.992 15.097 ( -6.564 9.709 -9.330) 14.980 15.302 ( -3.312 -9.834 -11.639) 15.593 15.871 ( -7.381 3.166 -19.100) 20.720 15.922 ( -9.856 -1.799 -19.765) 22.159 18.763 ( -0.454 6.632 -3.846) 7.680 18.893 ( -2.192 -5.736 -4.272) 7.480 ======================= Grid point 291 (104/120) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -1.471 0.468 -1.345) 2.048 2.797 ( -1.690 -0.988 -2.193) 2.940 3.980 ( 8.447 5.938 8.337) 13.271 4.131 ( 3.852 -8.243 11.340) 14.539 4.316 ( -0.007 6.145 2.643) 6.689 4.483 ( -5.500 -9.925 0.182) 11.349 5.163 ( 9.586 1.223 5.316) 11.029 5.186 ( 11.950 -0.971 4.426) 12.780 6.177 ( -14.494 10.086 2.396) 17.820 6.350 ( -17.543 -6.316 2.505) 18.812 6.765 ( 6.670 12.366 7.822) 16.081 7.016 ( 5.320 -11.565 7.513) 14.782 7.989 ( -4.928 7.211 1.007) 8.792 8.075 ( -4.761 -1.027 3.598) 6.055 8.133 ( 7.698 0.696 6.345) 10.000 8.219 ( 8.899 -5.886 6.790) 12.647 8.492 ( 5.077 4.939 -4.350) 8.312 8.577 ( 0.664 -0.853 -1.737) 2.046 8.813 ( 1.163 6.494 5.356) 8.498 9.009 ( -0.247 0.225 -3.965) 3.979 9.064 ( -5.591 -11.099 10.063) 15.991 9.079 ( -2.290 -3.354 0.428) 4.084 9.888 ( 10.028 6.185 9.035) 14.847 10.020 ( 7.833 -6.613 6.763) 12.281 10.996 ( -1.299 11.620 -2.771) 12.017 11.202 ( -5.695 -7.853 -2.997) 10.153 11.900 ( 9.051 10.681 3.453) 14.420 12.051 ( 7.542 -2.235 8.033) 11.243 12.303 ( 0.062 1.867 0.674) 1.986 12.425 ( -1.017 -7.714 0.866) 7.828 13.013 ( 1.809 7.245 0.680) 7.498 13.235 ( 1.236 -13.252 -1.511) 13.395 13.797 ( 3.094 10.899 6.560) 13.092 13.992 ( 0.501 -4.247 9.456) 10.378 14.097 ( -3.387 3.353 17.194) 17.843 14.226 ( -0.582 -9.017 9.327) 12.986 15.002 ( -1.926 11.600 -15.436) 19.405 15.236 ( -3.145 -10.815 -15.821) 19.421 15.705 ( -9.872 1.255 -18.288) 20.820 15.718 ( -9.413 -0.071 -16.684) 19.156 18.760 ( 0.250 4.569 -4.524) 6.435 18.848 ( -2.350 -3.739 -4.834) 6.548 ======================= Grid point 292 (105/120) ======================= q-point: ( 0.44 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -0.387 0.015 -1.727) 1.770 2.768 ( -1.064 -0.586 -2.072) 2.402 4.161 ( 9.328 0.439 5.232) 10.704 4.214 ( 4.289 -4.273 6.621) 8.972 4.286 ( -2.845 1.231 5.685) 6.475 4.348 ( -8.041 -4.918 3.415) 10.025 5.448 ( 18.886 2.649 5.884) 19.958 5.483 ( 17.988 -0.650 4.752) 18.617 5.835 ( -19.278 4.659 4.167) 20.266 5.901 ( -24.149 -1.178 5.607) 24.820 6.959 ( 9.245 6.716 3.663) 12.000 7.068 ( -1.195 -3.320 4.661) 5.846 7.914 ( -1.188 1.986 0.864) 2.471 7.956 ( -4.985 -1.889 1.999) 5.693 8.327 ( 9.586 3.847 4.797) 11.388 8.425 ( 10.448 -4.690 5.457) 12.686 8.485 ( -5.846 6.178 3.098) 9.052 8.567 ( -2.731 -1.447 1.549) 3.458 8.868 ( 3.915 -0.617 8.180) 9.090 8.945 ( -4.236 -7.120 12.151) 14.707 9.003 ( -0.684 0.264 -5.461) 5.510 9.027 ( -2.988 -2.203 -4.713) 6.000 10.063 ( 6.873 3.458 6.704) 10.205 10.121 ( 1.455 -2.015 6.109) 6.595 10.993 ( 1.806 4.841 -3.604) 6.299 11.077 ( -6.209 -2.854 -3.674) 7.758 12.103 ( 10.209 8.529 -0.561) 13.314 12.183 ( 4.153 0.868 1.676) 4.562 12.299 ( -0.518 1.390 6.032) 6.212 12.354 ( -5.606 -2.850 5.995) 8.689 13.062 ( 4.004 -1.496 2.254) 4.832 13.172 ( -6.205 -11.051 1.104) 12.722 13.887 ( 5.581 9.485 9.903) 14.805 13.979 ( -2.959 5.477 10.299) 12.034 14.088 ( 2.884 -3.449 15.560) 16.196 14.173 ( -4.530 -7.324 12.549) 15.220 15.047 ( 5.842 5.728 -21.087) 22.618 15.167 ( -4.809 -5.438 -21.237) 22.444 15.544 ( -4.242 0.768 -14.733) 15.351 15.568 ( -5.598 -1.278 -15.491) 16.521 18.774 ( 1.170 1.851 -5.078) 5.530 18.805 ( -1.946 -1.083 -5.190) 5.648 ======================= Grid point 315 (106/120) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 0.000 0.000 -0.510) 0.510 2.835 ( 0.000 0.000 -1.229) 1.229 3.406 ( 0.000 0.000 -0.900) 0.900 4.061 ( 0.000 0.000 3.277) 3.277 4.773 ( 0.000 0.000 14.840) 14.840 4.799 ( 0.000 0.000 2.090) 2.090 5.028 ( 0.000 0.000 -9.767) 9.767 5.292 ( 0.000 0.000 -1.336) 1.336 5.932 ( 0.000 0.000 1.748) 1.748 6.277 ( 0.000 0.000 -0.823) 0.823 6.697 ( 0.000 0.000 7.150) 7.150 7.863 ( 0.000 0.000 5.329) 5.329 7.901 ( 0.000 0.000 0.729) 0.729 7.921 ( 0.000 0.000 0.966) 0.966 8.121 ( 0.000 0.000 -7.362) 7.362 8.179 ( 0.000 0.000 1.657) 1.657 8.321 ( 0.000 0.000 2.521) 2.521 8.369 ( 0.000 0.000 1.878) 1.878 8.803 ( 0.000 0.000 -5.137) 5.137 8.877 ( 0.000 0.000 3.951) 3.951 8.919 ( 0.000 0.000 -1.791) 1.791 9.658 ( 0.000 0.000 8.120) 8.120 10.107 ( 0.000 0.000 -0.416) 0.416 10.151 ( 0.000 0.000 -2.483) 2.483 10.158 ( 0.000 0.000 9.277) 9.277 11.531 ( 0.000 0.000 7.856) 7.856 11.706 ( 0.000 0.000 7.157) 7.157 11.731 ( 0.000 0.000 -11.436) 11.436 12.312 ( 0.000 0.000 5.245) 5.245 12.425 ( 0.000 0.000 -5.757) 5.757 12.518 ( 0.000 0.000 -5.706) 5.706 13.199 ( 0.000 0.000 3.568) 3.568 13.942 ( 0.000 0.000 2.045) 2.045 14.101 ( 0.000 0.000 4.717) 4.717 14.241 ( 0.000 0.000 -3.932) 3.932 14.570 ( 0.000 0.000 10.856) 10.856 15.335 ( 0.000 0.000 8.928) 8.928 15.405 ( 0.000 0.000 -12.385) 12.385 15.491 ( 0.000 0.000 -4.018) 4.018 15.773 ( 0.000 0.000 -17.145) 17.145 18.529 ( 0.000 0.000 -1.040) 1.040 19.040 ( 0.000 0.000 -1.847) 1.847 ======================= Grid point 316 (107/120) ======================= q-point: ( 0.11 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 0.150 0.000 -0.950) 0.962 2.826 ( -0.856 0.000 -1.021) 1.332 3.453 ( 4.966 0.000 -0.365) 4.980 4.085 ( 2.408 0.000 2.968) 3.822 4.753 ( -2.016 0.000 14.229) 14.371 4.859 ( 5.944 0.000 1.823) 6.217 4.996 ( -3.289 0.000 -9.301) 9.865 5.234 ( -5.288 0.000 -0.999) 5.382 5.957 ( 2.993 0.000 1.574) 3.382 6.216 ( -2.796 0.000 1.330) 3.096 6.949 ( 20.632 0.000 5.134) 21.261 7.706 ( -15.763 0.000 8.174) 17.756 7.931 ( -1.934 0.000 -0.373) 1.969 7.948 ( 2.886 0.000 0.944) 3.037 7.995 ( -8.717 0.000 -2.156) 8.980 8.134 ( 1.164 0.000 -7.153) 7.247 8.339 ( 2.338 0.000 4.548) 5.113 8.435 ( 2.737 0.000 -0.397) 2.766 8.802 ( -0.769 0.000 -1.657) 1.827 8.888 ( 1.165 0.000 3.450) 3.641 8.997 ( 7.166 0.000 -3.246) 7.867 9.684 ( 2.543 0.000 7.871) 8.271 10.035 ( -6.764 0.000 4.928) 8.369 10.151 ( 4.014 0.000 0.034) 4.014 10.262 ( 5.720 0.000 1.533) 5.922 11.491 ( -3.022 0.000 6.381) 7.060 11.651 ( -6.538 0.000 -8.448) 10.683 11.780 ( 7.262 0.000 7.134) 10.180 12.424 ( 6.842 0.000 0.707) 6.878 12.495 ( -2.431 0.000 -5.382) 5.906 12.537 ( 12.623 0.000 -1.503) 12.712 13.239 ( 4.517 0.000 3.932) 5.988 13.867 ( -6.099 0.000 -0.182) 6.102 14.091 ( -1.152 0.000 4.267) 4.419 14.315 ( 6.222 0.000 -2.425) 6.678 14.522 ( -4.888 0.000 10.656) 11.723 15.183 ( -12.123 0.000 4.669) 12.991 15.423 ( -0.993 0.000 -10.844) 10.889 15.469 ( -2.173 0.000 -4.247) 4.771 15.747 ( -2.957 0.000 -13.731) 14.045 18.529 ( 0.091 0.000 -1.137) 1.141 19.014 ( -2.561 0.000 -1.934) 3.209 ======================= Grid point 317 (108/120) ======================= q-point: ( 0.22 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -0.297 0.000 -1.314) 1.348 2.804 ( -1.231 0.000 -0.580) 1.361 3.612 ( 11.448 0.000 0.237) 11.450 4.154 ( 4.597 0.000 2.243) 5.115 4.695 ( -3.930 0.000 12.130) 12.751 4.895 ( -6.546 0.000 -7.659) 10.075 5.027 ( 10.382 0.000 1.243) 10.457 5.138 ( -2.914 0.000 0.181) 2.919 6.002 ( -0.611 0.000 1.477) 1.599 6.254 ( 8.057 0.000 1.834) 8.263 7.252 ( -28.625 0.000 6.929) 29.452 7.378 ( 21.212 0.000 4.447) 21.673 7.734 ( -12.325 0.000 1.567) 12.424 7.992 ( 1.336 0.000 -5.844) 5.995 8.047 ( 7.651 0.000 1.164) 7.739 8.160 ( 1.470 0.000 -6.944) 7.098 8.384 ( -1.285 0.000 5.016) 5.179 8.491 ( 6.806 0.000 1.162) 6.904 8.805 ( 1.603 0.000 -2.218) 2.737 8.919 ( 1.792 0.000 2.378) 2.978 9.124 ( 4.430 0.000 -1.838) 4.796 9.741 ( 1.606 0.000 6.453) 6.650 9.898 ( -5.713 0.000 6.519) 8.668 10.234 ( 3.622 0.000 0.902) 3.732 10.392 ( 7.911 0.000 -0.404) 7.921 11.433 ( -5.029 0.000 2.275) 5.520 11.536 ( -1.948 0.000 -3.514) 4.018 11.972 ( 11.703 0.000 7.313) 13.800 12.421 ( -5.166 0.000 -4.773) 7.034 12.557 ( 6.975 0.000 0.245) 6.980 12.818 ( 13.621 0.000 1.498) 13.703 13.400 ( 11.991 0.000 6.044) 13.428 13.754 ( -4.136 0.000 -4.790) 6.329 14.041 ( -4.642 0.000 2.953) 5.502 14.386 ( -8.669 0.000 9.712) 13.018 14.452 ( 7.426 0.000 -1.076) 7.503 14.908 ( -14.960 0.000 4.976) 15.766 15.355 ( -5.737 0.000 -14.120) 15.241 15.411 ( -3.553 0.000 -4.984) 6.121 15.651 ( -6.823 0.000 -8.375) 10.803 18.538 ( 0.945 0.000 -1.448) 1.729 18.943 ( -4.540 0.000 -2.154) 5.025 ======================= Grid point 318 (109/120) ======================= q-point: ( 0.33 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -0.946 0.000 -0.221) 0.971 2.786 ( -0.686 0.000 -0.898) 1.130 3.889 ( 16.118 0.000 -0.125) 16.119 4.260 ( 6.067 0.000 1.916) 6.363 4.601 ( -5.656 0.000 8.453) 10.171 4.735 ( -9.600 0.000 -5.102) 10.871 5.170 ( 7.060 0.000 1.489) 7.215 5.256 ( 12.475 0.000 1.057) 12.519 5.933 ( -5.674 0.000 2.062) 6.037 6.493 ( 14.924 0.000 0.884) 14.950 6.643 ( -32.490 0.000 5.737) 32.993 7.463 ( -15.326 0.000 0.622) 15.338 7.722 ( 13.484 0.000 4.886) 14.342 8.014 ( 1.011 0.000 -3.683) 3.819 8.152 ( 0.359 0.000 -5.683) 5.695 8.298 ( -5.921 0.000 0.743) 5.968 8.300 ( 15.155 0.000 0.020) 15.155 8.700 ( 12.330 0.000 7.213) 14.285 8.856 ( 3.468 0.000 -3.990) 5.287 8.953 ( 1.638 0.000 1.554) 2.258 9.148 ( -2.026 0.000 -0.837) 2.192 9.622 ( -11.618 0.000 5.388) 12.807 9.929 ( 6.553 0.000 5.816) 8.761 10.267 ( -0.620 0.000 1.616) 1.731 10.575 ( 10.605 0.000 -1.461) 10.706 11.263 ( -10.700 0.000 -1.786) 10.848 11.618 ( 8.430 0.000 0.451) 8.442 12.191 ( 5.863 0.000 7.997) 9.916 12.315 ( -1.404 0.000 -4.339) 4.560 12.669 ( 3.340 0.000 3.987) 5.201 13.056 ( 11.483 0.000 1.376) 11.566 13.594 ( 4.697 0.000 7.021) 8.447 13.833 ( 14.959 0.000 -6.937) 16.490 13.880 ( -12.114 0.000 1.862) 12.256 14.192 ( -11.125 0.000 6.170) 12.721 14.604 ( 8.228 0.000 -0.662) 8.255 14.638 ( -11.840 0.000 7.251) 13.884 15.207 ( -9.312 0.000 -14.330) 17.090 15.341 ( -3.236 0.000 -6.271) 7.057 15.493 ( -8.620 0.000 -5.792) 10.386 18.571 ( 2.549 0.000 -1.909) 3.185 18.843 ( -5.532 0.000 -2.390) 6.026 ======================= Grid point 319 (110/120) ======================= q-point: ( 0.44 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -0.216 0.000 -0.118) 0.246 2.773 ( -0.477 0.000 -0.350) 0.592 4.207 ( 15.434 0.000 -1.435) 15.500 4.386 ( 6.750 0.000 3.154) 7.451 4.462 ( -9.597 0.000 0.894) 9.639 4.536 ( -9.444 0.000 1.497) 9.562 5.418 ( 16.406 0.000 1.541) 16.478 5.487 ( 9.576 0.000 0.470) 9.587 5.807 ( -5.299 0.000 3.209) 6.194 6.033 ( -27.646 0.000 5.207) 28.132 6.808 ( 16.891 0.000 0.212) 16.892 7.143 ( -17.018 0.000 0.073) 17.019 7.928 ( 8.073 0.000 6.589) 10.420 8.022 ( -1.116 0.000 2.970) 3.173 8.145 ( -0.300 0.000 -8.390) 8.395 8.183 ( -4.864 0.000 -5.329) 7.215 8.617 ( 15.006 0.000 1.208) 15.054 8.810 ( -3.110 0.000 2.417) 3.939 8.982 ( 1.425 0.000 1.747) 2.254 8.999 ( 5.229 0.000 5.265) 7.421 9.101 ( 4.568 0.000 -2.590) 5.251 9.358 ( -14.767 0.000 3.959) 15.288 10.075 ( 7.698 0.000 3.825) 8.596 10.208 ( -5.287 0.000 2.425) 5.817 10.799 ( 12.076 0.000 -1.847) 12.217 11.038 ( -12.044 0.000 -1.952) 12.201 11.827 ( 12.097 0.000 0.198) 12.098 12.062 ( -11.241 0.000 0.115) 11.242 12.487 ( 10.835 0.000 4.956) 11.915 12.652 ( -5.211 0.000 6.019) 7.961 13.298 ( 13.737 0.000 0.975) 13.772 13.594 ( -15.867 0.000 1.417) 15.930 13.720 ( 9.674 0.000 2.027) 9.884 13.952 ( -12.927 0.000 2.547) 13.176 14.169 ( 16.291 0.000 1.189) 16.335 14.431 ( -10.760 0.000 7.020) 12.848 14.781 ( 10.112 0.000 -2.936) 10.529 14.998 ( -11.537 0.000 -9.358) 14.855 15.302 ( -0.228 0.000 -7.563) 7.566 15.349 ( -5.185 0.000 -6.990) 8.703 18.638 ( 4.260 0.000 -2.314) 4.848 18.734 ( -5.394 0.000 -2.481) 5.937 ======================= Grid point 324 (111/120) ======================= q-point: ( 0.00 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 0.000 0.642 -0.519) 0.825 2.834 ( 0.000 -0.064 -1.137) 1.139 3.557 ( 0.000 13.753 -0.031) 13.753 4.124 ( 0.000 6.108 3.294) 6.939 4.631 ( 0.000 -13.054 12.630) 18.164 4.843 ( 0.000 4.377 1.451) 4.611 4.861 ( 0.000 -12.436 -6.647) 14.101 5.308 ( 0.000 -2.042 -1.821) 2.736 5.950 ( 0.000 2.044 1.617) 2.606 6.232 ( 0.000 -4.137 -0.455) 4.162 6.838 ( 0.000 12.844 6.769) 14.519 7.772 ( 0.000 -9.164 3.826) 9.931 7.922 ( 0.000 1.926 0.852) 2.106 7.992 ( 0.000 6.385 2.662) 6.918 8.104 ( 0.000 -1.271 -3.848) 4.052 8.193 ( 0.000 1.289 1.170) 1.741 8.387 ( 0.000 3.012 1.643) 3.431 8.405 ( 0.000 6.625 -0.153) 6.627 8.723 ( 0.000 -6.552 -2.545) 7.029 8.888 ( 0.000 0.025 2.542) 2.542 8.913 ( 0.000 -0.273 -2.454) 2.469 9.538 ( 0.000 -18.015 -2.414) 18.176 9.822 ( 0.000 -0.393 8.204) 8.213 10.143 ( 0.000 -1.802 9.505) 9.674 10.584 ( 0.000 20.960 -1.561) 21.018 11.453 ( 0.000 -7.850 3.609) 8.639 11.683 ( 0.000 5.269 -0.201) 5.273 11.938 ( 0.000 12.307 0.485) 12.317 12.262 ( 0.000 -5.308 5.166) 7.407 12.416 ( 0.000 -0.861 -4.672) 4.750 12.554 ( 0.000 3.510 -6.150) 7.081 13.054 ( 0.000 -11.456 1.431) 11.545 13.845 ( 0.000 -7.027 1.400) 7.166 14.104 ( 0.000 -10.242 -0.929) 10.284 14.269 ( 0.000 11.984 3.640) 12.524 14.678 ( 0.000 7.938 14.344) 16.394 15.247 ( 0.000 -9.353 -12.235) 15.400 15.310 ( 0.000 -2.667 6.557) 7.079 15.610 ( 0.000 6.041 -7.106) 9.327 15.769 ( 0.000 -0.429 -15.713) 15.718 18.588 ( 0.000 5.485 -1.110) 5.596 18.999 ( 0.000 -3.895 -1.762) 4.275 ======================= Grid point 325 (112/120) ======================= q-point: ( 0.11 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -0.294 0.280 -0.932) 1.017 2.826 ( -0.853 -0.089 -0.982) 1.304 3.592 ( 3.821 12.781 0.431) 13.347 4.143 ( 1.980 5.693 2.983) 6.725 4.616 ( -1.430 -12.556 12.091) 17.489 4.836 ( -2.513 -11.893 -6.320) 13.701 4.890 ( 4.787 3.109 1.354) 5.867 5.241 ( -5.664 -2.064 -1.274) 6.161 6.006 ( 6.013 4.298 1.287) 7.502 6.246 ( 0.525 1.478 0.409) 1.621 6.979 ( 13.033 4.218 5.885) 14.909 7.643 ( -14.625 -7.545 5.631) 17.393 7.907 ( -0.214 2.150 4.108) 4.642 8.025 ( 2.670 5.385 -3.721) 7.069 8.071 ( -7.271 5.360 -0.276) 9.037 8.114 ( 1.056 -1.820 -3.647) 4.211 8.393 ( 0.033 1.908 3.558) 4.038 8.459 ( 3.731 5.800 -1.406) 7.038 8.741 ( 1.097 -6.582 0.306) 6.680 8.878 ( -0.133 0.463 0.144) 0.503 8.989 ( 6.330 -1.173 -1.699) 6.658 9.569 ( 2.556 -17.477 -1.352) 17.714 9.830 ( 0.785 -0.100 8.064) 8.103 10.140 ( 0.036 -2.033 8.478) 8.718 10.601 ( 1.620 19.893 -1.479) 20.014 11.450 ( -0.861 -6.576 2.875) 7.229 11.639 ( -3.166 5.370 -2.065) 6.567 11.939 ( 1.855 10.883 4.920) 12.086 12.366 ( 5.341 -8.218 -0.753) 9.830 12.432 ( 2.461 -1.080 -0.565) 2.746 12.616 ( 7.524 4.988 -4.711) 10.183 13.111 ( 5.888 -10.131 1.457) 11.807 13.784 ( -4.767 -5.446 0.265) 7.242 14.168 ( 4.579 -7.435 2.185) 9.001 14.260 ( -0.211 8.266 1.066) 8.337 14.629 ( -4.840 7.940 14.155) 16.936 15.121 ( -10.296 -5.264 -3.736) 12.152 15.322 ( -0.972 -5.641 -2.809) 6.376 15.572 ( -3.652 5.371 -8.931) 11.043 15.740 ( -3.116 -0.619 -12.688) 13.079 18.586 ( -0.170 5.249 -1.207) 5.389 18.976 ( -2.309 -3.663 -1.851) 4.709 ======================= Grid point 326 (113/120) ======================= q-point: ( 0.22 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -0.981 -0.508 -1.180) 1.617 2.805 ( -1.175 -0.230 -0.841) 1.464 3.718 ( 9.158 9.779 1.000) 13.435 4.200 ( 3.721 4.449 2.260) 6.224 4.575 ( -2.769 -11.043 10.192) 15.280 4.762 ( -4.956 -10.102 -5.156) 12.378 5.030 ( 9.345 0.585 1.161) 9.435 5.150 ( -2.231 -0.514 -0.010) 2.290 6.120 ( 0.740 9.654 0.608) 9.701 6.285 ( 7.378 2.832 1.398) 8.026 7.224 ( -25.158 -3.407 5.747) 26.030 7.259 ( 11.483 -7.681 5.257) 14.781 7.876 ( -4.619 10.115 2.508) 11.399 7.991 ( 1.456 1.544 -2.672) 3.412 8.115 ( 5.704 5.316 -2.718) 8.258 8.156 ( 3.393 -0.838 -4.479) 5.682 8.359 ( -3.695 -2.960 2.383) 5.300 8.556 ( 6.700 7.351 3.018) 10.394 8.775 ( 2.713 -5.832 0.701) 6.471 8.887 ( 0.790 0.511 -1.544) 1.808 9.103 ( 4.138 -2.237 -0.981) 4.805 9.594 ( -1.391 -16.000 1.422) 16.123 9.862 ( 3.098 2.416 7.573) 8.532 10.167 ( 3.027 -3.641 5.367) 7.157 10.641 ( 2.357 16.730 -1.369) 16.950 11.395 ( -5.381 -4.718 -0.383) 7.166 11.611 ( 1.501 8.047 -0.375) 8.194 12.039 ( 8.018 6.034 7.005) 12.238 12.362 ( -2.778 -5.958 -3.374) 7.389 12.542 ( 5.967 -2.561 0.585) 6.519 12.818 ( 10.900 1.193 -0.074) 10.965 13.284 ( 11.452 -9.527 1.605) 14.984 13.702 ( -2.910 -1.532 -1.189) 3.497 14.175 ( -3.054 8.718 5.942) 10.983 14.339 ( 7.233 -8.509 -2.708) 11.491 14.498 ( -8.151 8.152 12.913) 17.310 14.883 ( -13.148 -1.902 -0.563) 13.297 15.262 ( -5.062 -6.734 -8.008) 11.623 15.477 ( -5.731 3.912 -9.994) 12.167 15.642 ( -6.880 -0.873 -8.261) 10.786 18.587 ( 0.381 4.500 -1.508) 4.761 18.913 ( -4.030 -2.959 -2.081) 5.415 ======================= Grid point 327 (114/120) ======================= q-point: ( 0.33 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -0.969 -1.039 -0.737) 1.601 2.781 ( -1.212 -0.727 -0.752) 1.601 3.941 ( 13.009 4.957 0.641) 13.937 4.284 ( 4.779 2.414 2.008) 5.718 4.507 ( -4.247 -8.633 6.456) 11.587 4.644 ( -7.014 -7.039 -2.541) 10.257 5.195 ( 7.711 1.589 1.172) 7.960 5.248 ( 12.583 -0.694 0.931) 12.637 6.024 ( -8.386 7.845 1.468) 11.577 6.470 ( -0.022 -2.693 0.601) 2.759 6.716 ( -15.601 7.134 5.408) 17.987 7.358 ( -3.949 -7.991 3.768) 9.678 7.833 ( 2.336 8.104 1.467) 8.560 8.041 ( 2.408 2.605 -3.232) 4.799 8.186 ( 1.322 2.143 -5.231) 5.805 8.232 ( -3.041 -3.598 0.997) 4.816 8.359 ( 11.159 3.267 -0.533) 11.640 8.718 ( 8.967 1.906 9.009) 12.853 8.844 ( 4.054 -4.251 -0.157) 5.876 8.904 ( 1.250 0.036 -3.712) 3.917 9.128 ( -1.748 -2.271 -0.230) 2.875 9.491 ( -8.777 -11.554 4.126) 15.085 9.964 ( 6.957 3.353 5.510) 9.487 10.238 ( 2.852 -2.931 3.136) 5.154 10.700 ( 4.341 10.758 -1.655) 11.718 11.243 ( -9.600 -2.346 -1.856) 10.055 11.711 ( 8.254 8.670 0.513) 11.981 12.203 ( 4.679 0.925 6.933) 8.416 12.306 ( 0.232 -0.788 -3.171) 3.276 12.623 ( 1.628 -4.884 3.262) 6.095 13.012 ( 9.406 -2.856 1.247) 9.909 13.493 ( 6.527 -13.696 0.830) 15.195 13.691 ( 2.101 3.914 -0.091) 4.443 14.117 ( -1.064 10.724 7.060) 12.883 14.326 ( -8.597 10.568 5.885) 14.840 14.499 ( 8.565 -9.235 -1.122) 12.645 14.644 ( -10.228 0.396 3.123) 10.701 15.128 ( -8.533 -7.020 -12.186) 16.449 15.364 ( -5.271 1.807 -8.456) 10.127 15.484 ( -8.609 -0.877 -6.287) 10.696 18.606 ( 1.714 3.213 -1.944) 4.128 18.825 ( -4.778 -1.786 -2.336) 5.610 ======================= Grid point 328 (115/120) ======================= q-point: ( 0.44 0.20 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -0.155 -1.273 -0.463) 1.364 2.761 ( -0.758 -1.171 -0.501) 1.482 4.196 ( 12.215 -0.692 -0.690) 12.254 4.380 ( 2.763 -1.355 3.183) 4.428 4.400 ( -5.183 -4.408 0.435) 6.818 4.501 ( -6.936 -2.963 2.598) 7.978 5.450 ( 16.285 2.397 0.999) 16.491 5.502 ( 12.083 1.177 0.202) 12.142 5.836 ( -8.701 2.729 2.840) 9.551 6.032 ( -26.158 -0.543 4.105) 26.483 6.877 ( 15.025 6.567 1.421) 16.459 7.165 ( -13.553 1.776 1.740) 13.779 7.935 ( 6.587 0.091 4.069) 7.743 8.047 ( -3.349 0.900 4.204) 5.450 8.166 ( -0.589 -0.279 -7.364) 7.393 8.186 ( -1.273 3.580 -7.576) 8.476 8.624 ( 12.770 0.957 1.904) 12.946 8.793 ( -3.422 -1.820 5.275) 6.546 8.926 ( 4.686 -3.016 0.517) 5.597 8.999 ( 4.131 -1.187 3.131) 5.317 9.067 ( 1.338 -2.830 -1.585) 3.509 9.277 ( -12.356 -7.097 3.973) 14.793 10.113 ( 7.607 3.226 3.727) 9.064 10.232 ( -3.721 1.461 2.919) 4.950 10.834 ( 9.181 3.389 -1.981) 9.985 11.037 ( -10.962 -0.296 -1.981) 11.144 11.908 ( 11.007 7.367 -0.059) 13.245 12.111 ( -9.047 4.145 -0.149) 9.953 12.450 ( 8.952 -2.702 4.346) 10.312 12.591 ( -4.809 -5.332 5.088) 8.800 13.211 ( 11.235 -7.193 0.861) 13.368 13.436 ( -10.195 -12.590 0.084) 16.200 13.820 ( 10.477 9.298 3.090) 14.345 14.043 ( -10.483 8.713 7.365) 15.494 14.294 ( 7.579 8.350 2.823) 11.624 14.461 ( -8.154 1.859 8.530) 11.946 14.702 ( 11.013 -6.825 -6.534) 14.511 14.930 ( -11.497 -6.333 -11.357) 17.357 15.296 ( -1.000 -0.425 -7.684) 7.760 15.339 ( -5.309 -0.945 -7.202) 8.997 18.655 ( 3.290 1.542 -2.317) 4.310 18.732 ( -4.464 -0.222 -2.455) 5.100 ======================= Grid point 333 (116/120) ======================= q-point: ( 0.00 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 0.000 0.779 -0.633) 1.004 2.830 ( 0.000 -0.414 -0.893) 0.984 3.910 ( 0.000 19.193 2.680) 19.379 4.299 ( 0.000 -18.225 7.235) 19.608 4.308 ( 0.000 11.687 2.315) 11.914 4.582 ( 0.000 -14.251 -1.225) 14.303 4.980 ( 0.000 8.855 0.064) 8.855 5.179 ( 0.000 -9.438 -1.120) 9.504 6.020 ( 0.000 4.602 1.096) 4.730 6.127 ( 0.000 -5.567 0.326) 5.576 7.165 ( 0.000 17.617 5.854) 18.564 7.512 ( 0.000 -15.496 4.603) 16.165 7.974 ( 0.000 3.004 1.144) 3.214 8.035 ( 0.000 -2.577 1.602) 3.035 8.167 ( 0.000 6.123 -0.698) 6.162 8.219 ( 0.000 0.548 0.166) 0.572 8.433 ( 0.000 3.363 0.080) 3.363 8.562 ( 0.000 -8.398 -0.937) 8.450 8.642 ( 0.000 14.496 2.453) 14.702 8.858 ( 0.000 -3.915 5.608) 6.839 8.926 ( 0.000 2.348 -5.877) 6.329 9.121 ( 0.000 -18.433 -8.736) 20.399 9.927 ( 0.000 7.296 10.094) 12.455 10.068 ( 0.000 -5.662 9.883) 11.390 10.969 ( 0.000 16.436 -1.105) 16.473 11.254 ( 0.000 -11.573 0.011) 11.573 11.861 ( 0.000 11.020 2.228) 11.243 12.094 ( 0.000 -10.687 3.781) 11.336 12.192 ( 0.000 11.460 2.338) 11.696 12.366 ( 0.000 -5.041 -0.201) 5.045 12.660 ( 0.000 6.699 -6.644) 9.435 12.825 ( 0.000 -9.694 -3.448) 10.289 13.750 ( 0.000 -0.494 0.138) 0.513 13.860 ( 0.000 -10.671 -1.182) 10.737 14.549 ( 0.000 13.612 8.946) 16.289 14.757 ( 0.000 -3.843 18.673) 19.064 15.127 ( 0.000 0.505 -13.712) 13.721 15.222 ( 0.000 -5.730 -0.557) 5.757 15.706 ( 0.000 3.379 -9.146) 9.750 15.753 ( 0.000 -1.338 -12.328) 12.401 18.731 ( 0.000 7.832 -1.298) 7.939 18.886 ( 0.000 -6.885 -1.547) 7.057 ======================= Grid point 334 (117/120) ======================= q-point: ( 0.11 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -0.885 0.583 -0.903) 1.392 2.820 ( -0.969 -0.449 -0.924) 1.412 3.923 ( 1.524 18.186 2.875) 18.475 4.293 ( -0.364 -14.289 6.867) 15.858 4.318 ( 0.840 7.579 2.184) 7.932 4.571 ( -1.052 -13.407 -1.134) 13.496 4.989 ( 1.392 6.470 0.303) 6.625 5.137 ( -3.098 -7.164 -0.606) 7.829 6.113 ( 8.846 5.730 0.692) 10.562 6.221 ( 7.602 -4.017 -0.004) 8.598 7.153 ( -1.233 12.170 5.922) 13.591 7.423 ( -9.617 -12.931 4.997) 16.872 7.974 ( 0.547 3.653 2.462) 4.439 8.048 ( 1.446 -3.313 0.832) 3.709 8.169 ( -0.661 4.564 -1.881) 4.981 8.180 ( -0.915 4.826 -2.486) 5.505 8.400 ( -3.569 2.394 1.796) 4.658 8.556 ( -0.777 -10.252 1.268) 10.359 8.700 ( 5.204 14.932 1.815) 15.917 8.905 ( 3.373 -0.569 1.728) 3.833 8.953 ( 3.223 -0.085 -3.701) 4.908 9.157 ( 3.327 -18.904 -6.644) 20.312 9.929 ( 0.396 6.823 9.393) 11.617 10.062 ( -0.263 -5.532 9.132) 10.680 10.976 ( 0.485 16.298 -1.140) 16.345 11.260 ( 0.185 -11.499 -0.384) 11.507 11.836 ( -1.431 12.371 1.633) 12.560 12.082 ( -0.136 -6.879 6.723) 9.619 12.230 ( 1.994 4.731 -2.392) 5.664 12.377 ( 1.775 -5.278 1.831) 5.862 12.737 ( 7.210 6.902 -5.324) 11.312 12.903 ( 7.216 -9.371 -2.779) 12.149 13.744 ( 0.173 3.062 -0.096) 3.068 13.917 ( 4.961 -12.554 -0.552) 13.510 14.513 ( -3.455 12.637 8.662) 15.705 14.707 ( -4.885 -3.763 18.231) 19.245 15.065 ( -6.000 2.821 -11.686) 13.436 15.192 ( -3.196 -7.167 -3.221) 8.483 15.664 ( -4.120 3.554 -9.748) 11.163 15.718 ( -3.617 -1.730 -10.804) 11.524 18.722 ( -0.840 7.458 -1.395) 7.634 18.870 ( -1.653 -6.513 -1.641) 6.917 ======================= Grid point 335 (118/120) ======================= q-point: ( 0.22 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -1.607 0.230 -1.137) 1.982 2.794 ( -1.601 -0.680 -1.036) 2.025 3.978 ( 4.266 14.765 2.997) 15.659 4.289 ( 0.041 -13.623 6.233) 14.981 4.339 ( 1.238 6.929 1.294) 7.156 4.541 ( -2.007 -10.947 -0.762) 11.156 5.057 ( 5.976 2.110 0.707) 6.377 5.110 ( 1.405 -2.785 0.325) 3.136 6.303 ( 5.504 6.302 -0.466) 8.380 6.344 ( 5.882 1.762 0.166) 6.143 7.124 ( -4.271 -2.603 5.697) 7.581 7.152 ( -12.988 -4.201 5.638) 14.769 8.018 ( 3.887 4.101 1.474) 5.839 8.088 ( 0.698 0.745 0.265) 1.055 8.120 ( -0.939 3.762 -2.951) 4.873 8.245 ( 2.819 -2.443 -2.912) 4.732 8.308 ( -2.457 7.728 1.575) 8.261 8.554 ( 1.560 -12.200 2.469) 12.544 8.811 ( 5.358 14.331 2.625) 15.523 8.955 ( 1.781 4.740 -2.170) 5.509 9.032 ( 3.361 -4.212 -0.685) 5.432 9.220 ( 2.098 -18.349 -1.891) 18.565 9.958 ( 2.958 5.831 7.384) 9.862 10.076 ( 2.222 -5.323 6.851) 8.956 10.976 ( -0.734 15.158 -1.223) 15.225 11.240 ( -2.757 -10.309 -1.201) 10.739 11.842 ( 2.549 13.506 1.411) 13.817 12.103 ( 2.302 -8.231 5.996) 10.440 12.263 ( 2.239 4.828 -2.160) 5.743 12.431 ( 3.049 -7.960 2.029) 8.762 12.898 ( 7.948 6.515 -2.269) 10.525 13.073 ( 9.095 -10.120 -1.843) 13.730 13.777 ( 3.493 9.136 0.314) 9.786 14.035 ( 6.898 -14.418 1.127) 16.023 14.432 ( -4.171 10.202 7.876) 13.547 14.585 ( -6.766 -2.727 17.093) 18.585 14.909 ( -9.498 6.627 -10.130) 15.387 15.094 ( -6.730 -9.436 -7.044) 13.563 15.554 ( -6.907 3.429 -9.792) 12.464 15.612 ( -7.049 -2.152 -8.632) 11.351 18.703 ( -1.028 6.297 -1.674) 6.596 18.826 ( -2.697 -5.376 -1.894) 6.306 ======================= Grid point 336 (119/120) ======================= q-point: ( 0.33 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -1.471 -0.163 -1.014) 1.794 2.761 ( -1.644 -0.956 -1.006) 2.151 4.085 ( 6.202 8.854 2.170) 11.026 4.291 ( -0.070 -10.627 3.968) 11.343 4.365 ( 1.362 4.784 1.492) 5.193 4.493 ( -2.828 -7.228 0.672) 7.790 5.219 ( 10.074 0.783 0.884) 10.143 5.233 ( 12.039 -0.702 0.769) 12.084 6.206 ( -12.019 9.058 0.655) 15.065 6.372 ( -11.194 -6.771 0.308) 13.087 6.919 ( -0.331 11.903 5.088) 12.950 7.163 ( 2.696 -11.089 5.001) 12.460 8.000 ( -5.438 7.698 0.277) 9.429 8.107 ( 1.053 1.895 -0.753) 2.295 8.148 ( -3.276 -3.123 -1.423) 4.744 8.192 ( 4.676 -2.148 -4.414) 6.779 8.456 ( 11.012 6.711 0.330) 12.900 8.630 ( 5.673 -9.411 3.589) 11.560 8.891 ( 2.620 9.386 4.321) 10.660 8.972 ( 0.099 5.197 -1.744) 5.483 9.055 ( -1.232 -4.177 -0.670) 4.407 9.210 ( -3.215 -14.398 2.310) 14.932 10.053 ( 6.525 4.988 4.947) 9.588 10.156 ( 5.325 -4.790 4.322) 8.366 10.946 ( -2.075 11.839 -1.517) 12.115 11.147 ( -6.442 -7.327 -1.691) 9.902 11.938 ( 6.876 12.345 0.695) 14.148 12.158 ( 2.658 -7.430 2.233) 8.201 12.331 ( 4.403 4.852 1.325) 6.684 12.477 ( 1.360 -8.351 2.439) 8.806 13.018 ( 4.321 4.771 0.013) 6.437 13.205 ( 3.081 -12.650 -0.969) 13.055 13.885 ( 7.596 13.384 2.321) 15.563 14.173 ( 6.612 -11.644 6.720) 14.982 14.379 ( -0.966 5.270 7.831) 9.489 14.475 ( -3.709 -0.448 14.188) 14.672 14.715 ( -9.352 8.994 -11.718) 17.483 14.940 ( -8.653 -10.948 -11.695) 18.207 15.408 ( -7.437 2.397 -8.855) 11.809 15.455 ( -8.419 -1.962 -7.560) 11.485 18.688 ( -0.365 4.339 -2.049) 4.813 18.770 ( -2.817 -3.480 -2.201) 4.989 ======================= Grid point 337 (120/120) ======================= q-point: ( 0.44 0.40 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 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: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -0.454 -0.620 -0.868) 1.160 2.736 ( -0.834 -0.947 -0.872) 1.534 4.201 ( 5.188 1.712 0.395) 5.478 4.274 ( -2.083 -5.215 0.711) 5.660 4.394 ( 1.674 1.150 3.167) 3.762 4.436 ( -2.731 -2.916 3.178) 5.105 5.495 ( 16.410 1.773 0.278) 16.508 5.516 ( 15.804 -0.147 -0.002) 15.805 5.911 ( -15.599 4.282 2.273) 16.335 5.993 ( -21.719 -3.295 2.542) 22.114 7.050 ( 8.916 8.961 3.604) 13.145 7.175 ( -2.782 -2.232 4.137) 5.462 7.933 ( -0.208 0.812 0.791) 1.153 7.996 ( -5.806 -4.493 1.619) 7.518 8.219 ( 3.879 3.903 -6.882) 8.811 8.253 ( 0.808 1.374 -7.300) 7.472 8.664 ( 8.906 2.924 3.988) 10.187 8.734 ( 2.960 -3.571 7.442) 8.769 8.907 ( 0.078 1.564 -1.176) 1.959 8.965 ( -3.370 -2.676 1.315) 4.500 9.021 ( 1.933 0.451 0.731) 2.115 9.114 ( -5.810 -7.545 3.708) 10.219 10.185 ( 5.844 3.351 3.635) 7.655 10.236 ( 1.347 -1.300 3.481) 3.953 10.927 ( 1.264 5.061 -2.035) 5.600 11.011 ( -6.611 -2.657 -2.001) 7.400 12.084 ( 7.054 8.289 -0.601) 10.901 12.176 ( -1.676 0.277 -0.646) 1.817 12.418 ( 4.037 0.329 3.565) 5.396 12.475 ( -1.617 -4.961 3.696) 6.394 13.092 ( 4.034 -2.013 0.721) 4.566 13.182 ( -4.345 -10.153 0.152) 11.045 14.067 ( 10.417 13.687 6.352) 18.336 14.242 ( -3.891 6.619 14.770) 16.647 14.356 ( 1.810 -3.853 8.551) 9.552 14.437 ( -3.141 -4.418 12.758) 13.862 14.633 ( 3.426 3.578 -18.517) 19.168 14.770 ( -8.430 -8.240 -16.742) 20.476 15.294 ( -3.105 0.431 -7.894) 8.494 15.314 ( -4.932 -1.318 -7.667) 9.212 18.692 ( 0.848 1.780 -2.341) 3.060 18.721 ( -2.081 -0.979 -2.394) 3.320 =================== 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 3/28350 10.0 3889.370 2247.691 3322.476 0.000 0.000 0.000 3/28350 20.0 1130.786 1025.941 1200.109 0.000 0.000 0.000 3/28350 30.0 440.973 370.711 597.469 0.000 0.000 0.000 3/28350 40.0 212.800 176.877 352.971 0.000 0.000 0.000 3/28350 50.0 121.009 101.463 227.315 0.000 0.000 0.000 3/28350 60.0 77.607 65.952 157.157 0.000 0.000 0.000 3/28350 70.0 54.403 46.810 115.389 0.000 0.000 0.000 3/28350 80.0 40.756 35.402 88.996 0.000 0.000 0.000 3/28350 90.0 32.098 28.065 71.402 0.000 0.000 0.000 3/28350 100.0 26.259 23.061 59.115 0.000 0.000 0.000 3/28350 110.0 22.122 19.484 50.188 0.000 0.000 0.000 3/28350 120.0 19.069 16.828 43.481 0.000 0.000 0.000 3/28350 130.0 16.742 14.793 38.296 0.000 0.000 0.000 3/28350 140.0 14.917 13.193 34.191 0.000 0.000 0.000 3/28350 150.0 13.452 11.905 30.872 0.000 0.000 0.000 3/28350 160.0 12.253 10.850 28.140 0.000 0.000 0.000 3/28350 170.0 11.256 9.971 25.856 0.000 0.000 0.000 3/28350 180.0 10.413 9.227 23.921 0.000 0.000 0.000 3/28350 190.0 9.691 8.591 22.262 0.000 0.000 0.000 3/28350 200.0 9.068 8.040 20.824 0.000 0.000 0.000 3/28350 210.0 8.522 7.558 19.567 0.000 0.000 0.000 3/28350 220.0 8.042 7.134 18.457 0.000 0.000 0.000 3/28350 230.0 7.615 6.757 17.472 0.000 0.000 0.000 3/28350 240.0 7.234 6.419 16.590 0.000 0.000 0.000 3/28350 250.0 6.890 6.116 15.797 0.000 0.000 0.000 3/28350 260.0 6.579 5.841 15.079 0.000 0.000 0.000 3/28350 270.0 6.297 5.591 14.426 0.000 0.000 0.000 3/28350 280.0 6.039 5.362 13.830 0.000 0.000 0.000 3/28350 290.0 5.802 5.152 13.283 0.000 0.000 0.000 3/28350 300.0 5.583 4.959 12.779 0.000 0.000 0.000 3/28350 310.0 5.381 4.780 12.314 0.000 0.000 0.000 3/28350 320.0 5.194 4.615 11.883 0.000 0.000 0.000 3/28350 330.0 5.020 4.461 11.482 0.000 0.000 0.000 3/28350 340.0 4.858 4.317 11.108 0.000 0.000 0.000 3/28350 350.0 4.706 4.182 10.758 0.000 0.000 0.000 3/28350 360.0 4.564 4.056 10.431 0.000 0.000 0.000 3/28350 370.0 4.430 3.938 10.124 0.000 0.000 0.000 3/28350 380.0 4.305 3.826 9.835 0.000 0.000 0.000 3/28350 390.0 4.186 3.721 9.562 0.000 0.000 0.000 3/28350 400.0 4.074 3.622 9.305 0.000 0.000 0.000 3/28350 410.0 3.968 3.528 9.061 0.000 0.000 0.000 3/28350 420.0 3.868 3.439 8.831 0.000 0.000 0.000 3/28350 430.0 3.772 3.354 8.612 0.000 0.000 0.000 3/28350 440.0 3.682 3.274 8.404 0.000 0.000 0.000 3/28350 450.0 3.595 3.197 8.206 0.000 0.000 0.000 3/28350 460.0 3.513 3.124 8.018 0.000 0.000 0.000 3/28350 470.0 3.435 3.055 7.838 0.000 0.000 0.000 3/28350 480.0 3.360 2.988 7.666 0.000 0.000 0.000 3/28350 490.0 3.288 2.925 7.502 0.000 0.000 0.000 3/28350 500.0 3.219 2.864 7.344 0.000 0.000 0.000 3/28350 510.0 3.154 2.805 7.194 0.000 0.000 0.000 3/28350 520.0 3.091 2.749 7.049 0.000 0.000 0.000 3/28350 530.0 3.030 2.695 6.911 0.000 0.000 0.000 3/28350 540.0 2.972 2.644 6.778 0.000 0.000 0.000 3/28350 550.0 2.916 2.594 6.650 0.000 0.000 0.000 3/28350 560.0 2.862 2.546 6.527 0.000 0.000 0.000 3/28350 570.0 2.810 2.500 6.408 0.000 0.000 0.000 3/28350 580.0 2.760 2.456 6.294 0.000 0.000 0.000 3/28350 590.0 2.712 2.413 6.183 0.000 0.000 0.000 3/28350 600.0 2.666 2.372 6.077 0.000 0.000 0.000 3/28350 610.0 2.621 2.332 5.974 0.000 0.000 0.000 3/28350 620.0 2.577 2.293 5.875 0.000 0.000 0.000 3/28350 630.0 2.535 2.256 5.779 0.000 0.000 0.000 3/28350 640.0 2.495 2.220 5.686 0.000 0.000 0.000 3/28350 650.0 2.455 2.185 5.597 0.000 0.000 0.000 3/28350 660.0 2.417 2.151 5.510 0.000 0.000 0.000 3/28350 670.0 2.380 2.118 5.425 0.000 0.000 0.000 3/28350 680.0 2.344 2.086 5.343 0.000 0.000 0.000 3/28350 690.0 2.310 2.055 5.264 0.000 0.000 0.000 3/28350 700.0 2.276 2.026 5.187 0.000 0.000 0.000 3/28350 710.0 2.243 1.996 5.113 0.000 0.000 0.000 3/28350 720.0 2.212 1.968 5.040 0.000 0.000 0.000 3/28350 730.0 2.181 1.941 4.970 0.000 0.000 0.000 3/28350 740.0 2.151 1.914 4.901 0.000 0.000 0.000 3/28350 750.0 2.122 1.888 4.835 0.000 0.000 0.000 3/28350 760.0 2.093 1.863 4.770 0.000 0.000 0.000 3/28350 770.0 2.065 1.838 4.707 0.000 0.000 0.000 3/28350 780.0 2.039 1.814 4.645 0.000 0.000 0.000 3/28350 790.0 2.012 1.791 4.585 0.000 0.000 0.000 3/28350 800.0 1.987 1.768 4.527 0.000 0.000 0.000 3/28350 810.0 1.962 1.746 4.470 0.000 0.000 0.000 3/28350 820.0 1.938 1.725 4.415 0.000 0.000 0.000 3/28350 830.0 1.914 1.704 4.361 0.000 0.000 0.000 3/28350 840.0 1.891 1.683 4.308 0.000 0.000 0.000 3/28350 850.0 1.868 1.663 4.257 0.000 0.000 0.000 3/28350 860.0 1.846 1.643 4.207 0.000 0.000 0.000 3/28350 870.0 1.825 1.624 4.158 0.000 0.000 0.000 3/28350 880.0 1.804 1.606 4.110 0.000 0.000 0.000 3/28350 890.0 1.783 1.587 4.063 0.000 0.000 0.000 3/28350 900.0 1.763 1.569 4.017 0.000 0.000 0.000 3/28350 910.0 1.744 1.552 3.972 0.000 0.000 0.000 3/28350 920.0 1.724 1.535 3.929 0.000 0.000 0.000 3/28350 930.0 1.706 1.518 3.886 0.000 0.000 0.000 3/28350 940.0 1.687 1.502 3.844 0.000 0.000 0.000 3/28350 950.0 1.669 1.486 3.803 0.000 0.000 0.000 3/28350 960.0 1.652 1.470 3.763 0.000 0.000 0.000 3/28350 970.0 1.635 1.455 3.724 0.000 0.000 0.000 3/28350 980.0 1.618 1.440 3.686 0.000 0.000 0.000 3/28350 990.0 1.601 1.425 3.648 0.000 0.000 0.000 3/28350 1000.0 1.585 1.411 3.611 0.000 0.000 0.000 3/28350 Thermal conductivity related properties were written into "kappa-m9515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:34:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|