----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:46:04]------------------------- 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 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 256 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.635673410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.635673410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.064656330000000 Atomic positions (fractional): *1 F 0.69672532355004 0.69672532355004 0.00000000000000 18.998 2 F 0.80327467644996 0.19672532355004 0.50000000000000 18.998 3 F 0.30327467644996 0.30327467644996 0.00000000000000 18.998 4 F 0.19672532355004 0.80327467644996 0.50000000000000 18.998 *5 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.635673410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.635673410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.064656330000000 Atomic positions (fractional): *1 F 0.69672532355004 0.69672532355004 0.00000000000000 18.998 > 1 2 F 0.80327467644996 0.19672532355004 0.50000000000000 18.998 > 2 3 F 0.30327467644996 0.30327467644996 0.00000000000000 18.998 > 3 4 F 0.19672532355004 0.80327467644996 0.50000000000000 18.998 > 4 *5 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 5 6 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.271346820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.271346820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.258625320000000 Atomic positions (fractional): *1 F 0.34836266177502 0.34836266177502 0.00000000000000 18.998 > 1 2 F 0.84836266177502 0.34836266177502 0.00000000000000 18.998 > 1 3 F 0.34836266177502 0.84836266177502 0.00000000000000 18.998 > 1 4 F 0.84836266177502 0.84836266177502 0.00000000000000 18.998 > 1 5 F 0.34836266177502 0.34836266177502 0.25000000000000 18.998 > 1 6 F 0.84836266177502 0.34836266177502 0.25000000000000 18.998 > 1 7 F 0.34836266177502 0.84836266177502 0.25000000000000 18.998 > 1 8 F 0.84836266177502 0.84836266177502 0.25000000000000 18.998 > 1 9 F 0.34836266177502 0.34836266177502 0.50000000000000 18.998 > 1 10 F 0.84836266177502 0.34836266177502 0.50000000000000 18.998 > 1 11 F 0.34836266177502 0.84836266177502 0.50000000000000 18.998 > 1 12 F 0.84836266177502 0.84836266177502 0.50000000000000 18.998 > 1 13 F 0.34836266177502 0.34836266177502 0.75000000000000 18.998 > 1 14 F 0.84836266177502 0.34836266177502 0.75000000000000 18.998 > 1 15 F 0.34836266177502 0.84836266177502 0.75000000000000 18.998 > 1 16 F 0.84836266177502 0.84836266177502 0.75000000000000 18.998 > 1 17 F 0.40163733822498 0.09836266177502 0.12500000000000 18.998 > 2 18 F 0.90163733822498 0.09836266177502 0.12500000000000 18.998 > 2 19 F 0.40163733822498 0.59836266177502 0.12500000000000 18.998 > 2 20 F 0.90163733822498 0.59836266177502 0.12500000000000 18.998 > 2 21 F 0.40163733822498 0.09836266177502 0.37500000000000 18.998 > 2 22 F 0.90163733822498 0.09836266177502 0.37500000000000 18.998 > 2 23 F 0.40163733822498 0.59836266177502 0.37500000000000 18.998 > 2 24 F 0.90163733822498 0.59836266177502 0.37500000000000 18.998 > 2 25 F 0.40163733822498 0.09836266177502 0.62500000000000 18.998 > 2 26 F 0.90163733822498 0.09836266177502 0.62500000000000 18.998 > 2 27 F 0.40163733822498 0.59836266177502 0.62500000000000 18.998 > 2 28 F 0.90163733822498 0.59836266177502 0.62500000000000 18.998 > 2 29 F 0.40163733822498 0.09836266177502 0.87500000000000 18.998 > 2 30 F 0.90163733822498 0.09836266177502 0.87500000000000 18.998 > 2 31 F 0.40163733822498 0.59836266177502 0.87500000000000 18.998 > 2 32 F 0.90163733822498 0.59836266177502 0.87500000000000 18.998 > 2 33 F 0.15163733822498 0.15163733822498 0.00000000000000 18.998 > 3 34 F 0.65163733822498 0.15163733822498 0.00000000000000 18.998 > 3 35 F 0.15163733822498 0.65163733822498 0.00000000000000 18.998 > 3 36 F 0.65163733822498 0.65163733822498 0.00000000000000 18.998 > 3 37 F 0.15163733822498 0.15163733822498 0.25000000000000 18.998 > 3 38 F 0.65163733822498 0.15163733822498 0.25000000000000 18.998 > 3 39 F 0.15163733822498 0.65163733822498 0.25000000000000 18.998 > 3 40 F 0.65163733822498 0.65163733822498 0.25000000000000 18.998 > 3 41 F 0.15163733822498 0.15163733822498 0.50000000000000 18.998 > 3 42 F 0.65163733822498 0.15163733822498 0.50000000000000 18.998 > 3 43 F 0.15163733822498 0.65163733822498 0.50000000000000 18.998 > 3 44 F 0.65163733822498 0.65163733822498 0.50000000000000 18.998 > 3 45 F 0.15163733822498 0.15163733822498 0.75000000000000 18.998 > 3 46 F 0.65163733822498 0.15163733822498 0.75000000000000 18.998 > 3 47 F 0.15163733822498 0.65163733822498 0.75000000000000 18.998 > 3 48 F 0.65163733822498 0.65163733822498 0.75000000000000 18.998 > 3 49 F 0.09836266177502 0.40163733822498 0.12500000000000 18.998 > 4 50 F 0.59836266177502 0.40163733822498 0.12500000000000 18.998 > 4 51 F 0.09836266177502 0.90163733822498 0.12500000000000 18.998 > 4 52 F 0.59836266177502 0.90163733822498 0.12500000000000 18.998 > 4 53 F 0.09836266177502 0.40163733822498 0.37500000000000 18.998 > 4 54 F 0.59836266177502 0.40163733822498 0.37500000000000 18.998 > 4 55 F 0.09836266177502 0.90163733822498 0.37500000000000 18.998 > 4 56 F 0.59836266177502 0.90163733822498 0.37500000000000 18.998 > 4 57 F 0.09836266177502 0.40163733822498 0.62500000000000 18.998 > 4 58 F 0.59836266177502 0.40163733822498 0.62500000000000 18.998 > 4 59 F 0.09836266177502 0.90163733822498 0.62500000000000 18.998 > 4 60 F 0.59836266177502 0.90163733822498 0.62500000000000 18.998 > 4 61 F 0.09836266177502 0.40163733822498 0.87500000000000 18.998 > 4 62 F 0.59836266177502 0.40163733822498 0.87500000000000 18.998 > 4 63 F 0.09836266177502 0.90163733822498 0.87500000000000 18.998 > 4 64 F 0.59836266177502 0.90163733822498 0.87500000000000 18.998 > 4 *65 Mg 0.25000000000000 0.25000000000000 0.12500000000000 24.305 > 5 66 Mg 0.75000000000000 0.25000000000000 0.12500000000000 24.305 > 5 67 Mg 0.25000000000000 0.75000000000000 0.12500000000000 24.305 > 5 68 Mg 0.75000000000000 0.75000000000000 0.12500000000000 24.305 > 5 69 Mg 0.25000000000000 0.25000000000000 0.37500000000000 24.305 > 5 70 Mg 0.75000000000000 0.25000000000000 0.37500000000000 24.305 > 5 71 Mg 0.25000000000000 0.75000000000000 0.37500000000000 24.305 > 5 72 Mg 0.75000000000000 0.75000000000000 0.37500000000000 24.305 > 5 73 Mg 0.25000000000000 0.25000000000000 0.62500000000000 24.305 > 5 74 Mg 0.75000000000000 0.25000000000000 0.62500000000000 24.305 > 5 75 Mg 0.25000000000000 0.75000000000000 0.62500000000000 24.305 > 5 76 Mg 0.75000000000000 0.75000000000000 0.62500000000000 24.305 > 5 77 Mg 0.25000000000000 0.25000000000000 0.87500000000000 24.305 > 5 78 Mg 0.75000000000000 0.25000000000000 0.87500000000000 24.305 > 5 79 Mg 0.25000000000000 0.75000000000000 0.87500000000000 24.305 > 5 80 Mg 0.75000000000000 0.75000000000000 0.87500000000000 24.305 > 5 81 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 6 82 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 6 83 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 6 84 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 6 85 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 6 86 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 6 87 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 6 88 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 6 89 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 6 90 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 6 91 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 6 92 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 6 93 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 6 94 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 6 95 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 6 96 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0186548 0.0000000 0.0000000 0.0000000 2.0186548 0.0000000 0.0000000 0.0000000 2.0577280 -------------------------- Born effective charges -------------------------- 1 F -0.9877745 -0.2080970 0.0000000 -0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 2 F -0.9877745 0.2080970 0.0000000 0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 3 F -0.9877745 -0.2080970 0.0000000 -0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 4 F -0.9877745 0.2080970 0.0000000 0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 5 Mg 1.9755490 -0.0433816 0.0000000 -0.0433816 1.9755490 0.0000000 0.0000000 0.0000000 2.0704941 6 Mg 1.9755490 0.0433816 0.0000000 0.0433816 1.9755490 0.0000000 0.0000000 0.0000000 2.0704941 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 2988/2988 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 223 Number of blocks in projector: 223 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 57 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (223, 217), data: False |-- (48, 46), data: True |-- (52, 52), data: True |-- (57, 55), data: True |-- (66, 64), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.081 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.086 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 2988/2988 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 223 Number of blocks in projector: 223 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 57 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (223, 217), data: False |-- (48, 46), data: True |-- (52, 52), data: True |-- (57, 55), data: True |-- (66, 64), 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 2026-01-07 18:46:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:46:07]------------------------- 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 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.635673410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.635673410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.064656330000000 Atomic positions (fractional): 1 F 0.69672532355004 0.69672532355004 0.00000000000000 18.998 2 F 0.80327467644996 0.19672532355004 0.50000000000000 18.998 3 F 0.30327467644996 0.30327467644996 0.00000000000000 18.998 4 F 0.19672532355004 0.80327467644996 0.50000000000000 18.998 5 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.271346820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.271346820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.258625320000000 Atomic positions (fractional): 1 F 0.34836266177502 0.34836266177502 0.00000000000000 18.998 > 1 2 F 0.84836266177502 0.34836266177502 0.00000000000000 18.998 > 1 3 F 0.34836266177502 0.84836266177502 0.00000000000000 18.998 > 1 4 F 0.84836266177502 0.84836266177502 0.00000000000000 18.998 > 1 5 F 0.34836266177502 0.34836266177502 0.25000000000000 18.998 > 1 6 F 0.84836266177502 0.34836266177502 0.25000000000000 18.998 > 1 7 F 0.34836266177502 0.84836266177502 0.25000000000000 18.998 > 1 8 F 0.84836266177502 0.84836266177502 0.25000000000000 18.998 > 1 9 F 0.34836266177502 0.34836266177502 0.50000000000000 18.998 > 1 10 F 0.84836266177502 0.34836266177502 0.50000000000000 18.998 > 1 11 F 0.34836266177502 0.84836266177502 0.50000000000000 18.998 > 1 12 F 0.84836266177502 0.84836266177502 0.50000000000000 18.998 > 1 13 F 0.34836266177502 0.34836266177502 0.75000000000000 18.998 > 1 14 F 0.84836266177502 0.34836266177502 0.75000000000000 18.998 > 1 15 F 0.34836266177502 0.84836266177502 0.75000000000000 18.998 > 1 16 F 0.84836266177502 0.84836266177502 0.75000000000000 18.998 > 1 17 F 0.40163733822498 0.09836266177502 0.12500000000000 18.998 > 17 18 F 0.90163733822498 0.09836266177502 0.12500000000000 18.998 > 17 19 F 0.40163733822498 0.59836266177502 0.12500000000000 18.998 > 17 20 F 0.90163733822498 0.59836266177502 0.12500000000000 18.998 > 17 21 F 0.40163733822498 0.09836266177502 0.37500000000000 18.998 > 17 22 F 0.90163733822498 0.09836266177502 0.37500000000000 18.998 > 17 23 F 0.40163733822498 0.59836266177502 0.37500000000000 18.998 > 17 24 F 0.90163733822498 0.59836266177502 0.37500000000000 18.998 > 17 25 F 0.40163733822498 0.09836266177502 0.62500000000000 18.998 > 17 26 F 0.90163733822498 0.09836266177502 0.62500000000000 18.998 > 17 27 F 0.40163733822498 0.59836266177502 0.62500000000000 18.998 > 17 28 F 0.90163733822498 0.59836266177502 0.62500000000000 18.998 > 17 29 F 0.40163733822498 0.09836266177502 0.87500000000000 18.998 > 17 30 F 0.90163733822498 0.09836266177502 0.87500000000000 18.998 > 17 31 F 0.40163733822498 0.59836266177502 0.87500000000000 18.998 > 17 32 F 0.90163733822498 0.59836266177502 0.87500000000000 18.998 > 17 33 F 0.15163733822498 0.15163733822498 0.00000000000000 18.998 > 33 34 F 0.65163733822498 0.15163733822498 0.00000000000000 18.998 > 33 35 F 0.15163733822498 0.65163733822498 0.00000000000000 18.998 > 33 36 F 0.65163733822498 0.65163733822498 0.00000000000000 18.998 > 33 37 F 0.15163733822498 0.15163733822498 0.25000000000000 18.998 > 33 38 F 0.65163733822498 0.15163733822498 0.25000000000000 18.998 > 33 39 F 0.15163733822498 0.65163733822498 0.25000000000000 18.998 > 33 40 F 0.65163733822498 0.65163733822498 0.25000000000000 18.998 > 33 41 F 0.15163733822498 0.15163733822498 0.50000000000000 18.998 > 33 42 F 0.65163733822498 0.15163733822498 0.50000000000000 18.998 > 33 43 F 0.15163733822498 0.65163733822498 0.50000000000000 18.998 > 33 44 F 0.65163733822498 0.65163733822498 0.50000000000000 18.998 > 33 45 F 0.15163733822498 0.15163733822498 0.75000000000000 18.998 > 33 46 F 0.65163733822498 0.15163733822498 0.75000000000000 18.998 > 33 47 F 0.15163733822498 0.65163733822498 0.75000000000000 18.998 > 33 48 F 0.65163733822498 0.65163733822498 0.75000000000000 18.998 > 33 49 F 0.09836266177502 0.40163733822498 0.12500000000000 18.998 > 49 50 F 0.59836266177502 0.40163733822498 0.12500000000000 18.998 > 49 51 F 0.09836266177502 0.90163733822498 0.12500000000000 18.998 > 49 52 F 0.59836266177502 0.90163733822498 0.12500000000000 18.998 > 49 53 F 0.09836266177502 0.40163733822498 0.37500000000000 18.998 > 49 54 F 0.59836266177502 0.40163733822498 0.37500000000000 18.998 > 49 55 F 0.09836266177502 0.90163733822498 0.37500000000000 18.998 > 49 56 F 0.59836266177502 0.90163733822498 0.37500000000000 18.998 > 49 57 F 0.09836266177502 0.40163733822498 0.62500000000000 18.998 > 49 58 F 0.59836266177502 0.40163733822498 0.62500000000000 18.998 > 49 59 F 0.09836266177502 0.90163733822498 0.62500000000000 18.998 > 49 60 F 0.59836266177502 0.90163733822498 0.62500000000000 18.998 > 49 61 F 0.09836266177502 0.40163733822498 0.87500000000000 18.998 > 49 62 F 0.59836266177502 0.40163733822498 0.87500000000000 18.998 > 49 63 F 0.09836266177502 0.90163733822498 0.87500000000000 18.998 > 49 64 F 0.59836266177502 0.90163733822498 0.87500000000000 18.998 > 49 65 Mg 0.25000000000000 0.25000000000000 0.12500000000000 24.305 > 65 66 Mg 0.75000000000000 0.25000000000000 0.12500000000000 24.305 > 65 67 Mg 0.25000000000000 0.75000000000000 0.12500000000000 24.305 > 65 68 Mg 0.75000000000000 0.75000000000000 0.12500000000000 24.305 > 65 69 Mg 0.25000000000000 0.25000000000000 0.37500000000000 24.305 > 65 70 Mg 0.75000000000000 0.25000000000000 0.37500000000000 24.305 > 65 71 Mg 0.25000000000000 0.75000000000000 0.37500000000000 24.305 > 65 72 Mg 0.75000000000000 0.75000000000000 0.37500000000000 24.305 > 65 73 Mg 0.25000000000000 0.25000000000000 0.62500000000000 24.305 > 65 74 Mg 0.75000000000000 0.25000000000000 0.62500000000000 24.305 > 65 75 Mg 0.25000000000000 0.75000000000000 0.62500000000000 24.305 > 65 76 Mg 0.75000000000000 0.75000000000000 0.62500000000000 24.305 > 65 77 Mg 0.25000000000000 0.25000000000000 0.87500000000000 24.305 > 65 78 Mg 0.75000000000000 0.25000000000000 0.87500000000000 24.305 > 65 79 Mg 0.25000000000000 0.75000000000000 0.87500000000000 24.305 > 65 80 Mg 0.75000000000000 0.75000000000000 0.87500000000000 24.305 > 65 81 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 81 82 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 81 83 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 81 84 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 81 85 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 81 86 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 81 87 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 81 88 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 81 89 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 81 90 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 81 91 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 81 92 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 81 93 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 81 94 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 81 95 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 81 96 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0186548 0.0000000 0.0000000 0.0000000 2.0186548 0.0000000 0.0000000 0.0000000 2.0577280 -------------------------- Born effective charges -------------------------- 1 F -0.9877745 -0.2080970 0.0000000 -0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 2 F -0.9877745 0.2080970 0.0000000 0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 3 F -0.9877745 -0.2080970 0.0000000 -0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 4 F -0.9877745 0.2080970 0.0000000 0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 5 Mg 1.9755490 -0.0433816 0.0000000 -0.0433816 1.9755490 0.0000000 0.0000000 0.0000000 2.0704941 6 Mg 1.9755490 0.0433816 0.0000000 0.0433816 1.9755490 0.0000000 0.0000000 0.0000000 2.0704941 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000005 (xxy) 0.00000005 (xxy) 0.00000005 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:46:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:46:11]------------------------- 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 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.635673410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.635673410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.064656330000000 Atomic positions (fractional): 1 F 0.69672532355004 0.69672532355004 0.00000000000000 18.998 2 F 0.80327467644996 0.19672532355004 0.50000000000000 18.998 3 F 0.30327467644996 0.30327467644996 0.00000000000000 18.998 4 F 0.19672532355004 0.80327467644996 0.50000000000000 18.998 5 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.271346820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.271346820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.258625320000000 Atomic positions (fractional): 1 F 0.34836266177502 0.34836266177502 0.00000000000000 18.998 > 1 2 F 0.84836266177502 0.34836266177502 0.00000000000000 18.998 > 1 3 F 0.34836266177502 0.84836266177502 0.00000000000000 18.998 > 1 4 F 0.84836266177502 0.84836266177502 0.00000000000000 18.998 > 1 5 F 0.34836266177502 0.34836266177502 0.25000000000000 18.998 > 1 6 F 0.84836266177502 0.34836266177502 0.25000000000000 18.998 > 1 7 F 0.34836266177502 0.84836266177502 0.25000000000000 18.998 > 1 8 F 0.84836266177502 0.84836266177502 0.25000000000000 18.998 > 1 9 F 0.34836266177502 0.34836266177502 0.50000000000000 18.998 > 1 10 F 0.84836266177502 0.34836266177502 0.50000000000000 18.998 > 1 11 F 0.34836266177502 0.84836266177502 0.50000000000000 18.998 > 1 12 F 0.84836266177502 0.84836266177502 0.50000000000000 18.998 > 1 13 F 0.34836266177502 0.34836266177502 0.75000000000000 18.998 > 1 14 F 0.84836266177502 0.34836266177502 0.75000000000000 18.998 > 1 15 F 0.34836266177502 0.84836266177502 0.75000000000000 18.998 > 1 16 F 0.84836266177502 0.84836266177502 0.75000000000000 18.998 > 1 17 F 0.40163733822498 0.09836266177502 0.12500000000000 18.998 > 17 18 F 0.90163733822498 0.09836266177502 0.12500000000000 18.998 > 17 19 F 0.40163733822498 0.59836266177502 0.12500000000000 18.998 > 17 20 F 0.90163733822498 0.59836266177502 0.12500000000000 18.998 > 17 21 F 0.40163733822498 0.09836266177502 0.37500000000000 18.998 > 17 22 F 0.90163733822498 0.09836266177502 0.37500000000000 18.998 > 17 23 F 0.40163733822498 0.59836266177502 0.37500000000000 18.998 > 17 24 F 0.90163733822498 0.59836266177502 0.37500000000000 18.998 > 17 25 F 0.40163733822498 0.09836266177502 0.62500000000000 18.998 > 17 26 F 0.90163733822498 0.09836266177502 0.62500000000000 18.998 > 17 27 F 0.40163733822498 0.59836266177502 0.62500000000000 18.998 > 17 28 F 0.90163733822498 0.59836266177502 0.62500000000000 18.998 > 17 29 F 0.40163733822498 0.09836266177502 0.87500000000000 18.998 > 17 30 F 0.90163733822498 0.09836266177502 0.87500000000000 18.998 > 17 31 F 0.40163733822498 0.59836266177502 0.87500000000000 18.998 > 17 32 F 0.90163733822498 0.59836266177502 0.87500000000000 18.998 > 17 33 F 0.15163733822498 0.15163733822498 0.00000000000000 18.998 > 33 34 F 0.65163733822498 0.15163733822498 0.00000000000000 18.998 > 33 35 F 0.15163733822498 0.65163733822498 0.00000000000000 18.998 > 33 36 F 0.65163733822498 0.65163733822498 0.00000000000000 18.998 > 33 37 F 0.15163733822498 0.15163733822498 0.25000000000000 18.998 > 33 38 F 0.65163733822498 0.15163733822498 0.25000000000000 18.998 > 33 39 F 0.15163733822498 0.65163733822498 0.25000000000000 18.998 > 33 40 F 0.65163733822498 0.65163733822498 0.25000000000000 18.998 > 33 41 F 0.15163733822498 0.15163733822498 0.50000000000000 18.998 > 33 42 F 0.65163733822498 0.15163733822498 0.50000000000000 18.998 > 33 43 F 0.15163733822498 0.65163733822498 0.50000000000000 18.998 > 33 44 F 0.65163733822498 0.65163733822498 0.50000000000000 18.998 > 33 45 F 0.15163733822498 0.15163733822498 0.75000000000000 18.998 > 33 46 F 0.65163733822498 0.15163733822498 0.75000000000000 18.998 > 33 47 F 0.15163733822498 0.65163733822498 0.75000000000000 18.998 > 33 48 F 0.65163733822498 0.65163733822498 0.75000000000000 18.998 > 33 49 F 0.09836266177502 0.40163733822498 0.12500000000000 18.998 > 49 50 F 0.59836266177502 0.40163733822498 0.12500000000000 18.998 > 49 51 F 0.09836266177502 0.90163733822498 0.12500000000000 18.998 > 49 52 F 0.59836266177502 0.90163733822498 0.12500000000000 18.998 > 49 53 F 0.09836266177502 0.40163733822498 0.37500000000000 18.998 > 49 54 F 0.59836266177502 0.40163733822498 0.37500000000000 18.998 > 49 55 F 0.09836266177502 0.90163733822498 0.37500000000000 18.998 > 49 56 F 0.59836266177502 0.90163733822498 0.37500000000000 18.998 > 49 57 F 0.09836266177502 0.40163733822498 0.62500000000000 18.998 > 49 58 F 0.59836266177502 0.40163733822498 0.62500000000000 18.998 > 49 59 F 0.09836266177502 0.90163733822498 0.62500000000000 18.998 > 49 60 F 0.59836266177502 0.90163733822498 0.62500000000000 18.998 > 49 61 F 0.09836266177502 0.40163733822498 0.87500000000000 18.998 > 49 62 F 0.59836266177502 0.40163733822498 0.87500000000000 18.998 > 49 63 F 0.09836266177502 0.90163733822498 0.87500000000000 18.998 > 49 64 F 0.59836266177502 0.90163733822498 0.87500000000000 18.998 > 49 65 Mg 0.25000000000000 0.25000000000000 0.12500000000000 24.305 > 65 66 Mg 0.75000000000000 0.25000000000000 0.12500000000000 24.305 > 65 67 Mg 0.25000000000000 0.75000000000000 0.12500000000000 24.305 > 65 68 Mg 0.75000000000000 0.75000000000000 0.12500000000000 24.305 > 65 69 Mg 0.25000000000000 0.25000000000000 0.37500000000000 24.305 > 65 70 Mg 0.75000000000000 0.25000000000000 0.37500000000000 24.305 > 65 71 Mg 0.25000000000000 0.75000000000000 0.37500000000000 24.305 > 65 72 Mg 0.75000000000000 0.75000000000000 0.37500000000000 24.305 > 65 73 Mg 0.25000000000000 0.25000000000000 0.62500000000000 24.305 > 65 74 Mg 0.75000000000000 0.25000000000000 0.62500000000000 24.305 > 65 75 Mg 0.25000000000000 0.75000000000000 0.62500000000000 24.305 > 65 76 Mg 0.75000000000000 0.75000000000000 0.62500000000000 24.305 > 65 77 Mg 0.25000000000000 0.25000000000000 0.87500000000000 24.305 > 65 78 Mg 0.75000000000000 0.25000000000000 0.87500000000000 24.305 > 65 79 Mg 0.25000000000000 0.75000000000000 0.87500000000000 24.305 > 65 80 Mg 0.75000000000000 0.75000000000000 0.87500000000000 24.305 > 65 81 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 81 82 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 81 83 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 81 84 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 81 85 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 81 86 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 81 87 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 81 88 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 81 89 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 81 90 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 81 91 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 81 92 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 81 93 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 81 94 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 81 95 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 81 96 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0186548 0.0000000 0.0000000 0.0000000 2.0186548 0.0000000 0.0000000 0.0000000 2.0577280 -------------------------- Born effective charges -------------------------- 1 F -0.9877745 -0.2080970 0.0000000 -0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 2 F -0.9877745 0.2080970 0.0000000 0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 3 F -0.9877745 -0.2080970 0.0000000 -0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 4 F -0.9877745 0.2080970 0.0000000 0.2080970 -0.9877745 0.0000000 0.0000000 0.0000000 -1.0352470 5 Mg 1.9755490 -0.0433816 0.0000000 -0.0433816 1.9755490 0.0000000 0.0000000 0.0000000 2.0704941 6 Mg 1.9755490 0.0433816 0.0000000 0.0433816 1.9755490 0.0000000 0.0000000 0.0000000 2.0704941 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (xxy) 0.00000005 (xxy) 0.00000005 (xyx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 16 ] 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: 1.03, Number of G-points: 315, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 189 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 2.446 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 12.021 ( 0.000 0.000 0.000) 0.000 12.084 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 12.707 ( 0.000 0.000 0.000) 0.000 13.526 ( 0.000 0.000 0.000) 0.000 13.526 ( 0.000 0.000 0.000) 0.000 15.104 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 40.329 0.000 0.000) 40.329 1.061 ( 53.234 0.000 0.000) 53.234 1.285 ( 64.951 0.000 0.000) 64.951 2.577 ( 12.912 0.000 0.000) 12.912 5.876 ( -7.629 0.000 0.000) 7.629 7.010 ( 1.578 0.000 0.000) 1.578 8.500 ( -7.962 0.000 0.000) 7.962 8.556 ( -1.937 0.000 0.000) 1.937 8.688 ( 0.856 0.000 0.000) 0.856 8.693 ( 1.298 0.000 0.000) 1.298 11.847 ( -17.671 0.000 0.000) 17.671 12.034 ( 1.315 0.000 0.000) 1.315 12.088 ( -13.788 0.000 0.000) 13.788 12.498 ( 11.480 0.000 0.000) 11.480 12.692 ( -1.467 0.000 0.000) 1.467 13.514 ( -0.918 0.000 0.000) 0.918 15.237 ( 12.795 0.000 0.000) 12.795 18.240 ( -4.310 0.000 0.000) 4.310 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 39.342 0.000 0.000) 39.342 2.068 ( 48.917 0.000 0.000) 48.917 2.523 ( 59.120 0.000 0.000) 59.120 2.934 ( 24.357 0.000 0.000) 24.357 5.658 ( -14.506 0.000 0.000) 14.506 7.059 ( 3.589 0.000 0.000) 3.589 8.271 ( -15.185 0.000 0.000) 15.185 8.498 ( -4.032 0.000 0.000) 4.032 8.712 ( 1.483 0.000 0.000) 1.483 8.727 ( 1.962 0.000 0.000) 1.962 11.458 ( -21.531 0.000 0.000) 21.531 11.720 ( -22.767 0.000 0.000) 22.767 12.072 ( 2.553 0.000 0.000) 2.553 12.650 ( -2.808 0.000 0.000) 2.808 12.715 ( 10.513 0.000 0.000) 10.513 13.498 ( -0.759 0.000 0.000) 0.759 15.567 ( 19.864 0.000 0.000) 19.864 18.114 ( -8.523 0.000 0.000) 8.523 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 37.722 0.000 0.000) 37.722 2.951 ( 40.249 0.000 0.000) 40.249 3.278 ( 23.704 0.000 0.000) 23.704 3.808 ( 57.734 0.000 0.000) 57.734 5.314 ( -20.336 0.000 0.000) 20.336 7.159 ( 6.794 0.000 0.000) 6.794 7.908 ( -21.867 0.000 0.000) 21.867 8.393 ( -6.817 0.000 0.000) 6.817 8.744 ( 1.712 0.000 0.000) 1.712 8.765 ( 1.823 0.000 0.000) 1.823 11.024 ( -22.053 0.000 0.000) 22.053 11.238 ( -25.204 0.000 0.000) 25.204 12.133 ( 3.630 0.000 0.000) 3.630 12.584 ( -3.906 0.000 0.000) 3.906 12.911 ( 9.460 0.000 0.000) 9.460 13.478 ( -1.439 0.000 0.000) 1.439 15.988 ( 22.569 0.000 0.000) 22.569 17.908 ( -12.526 0.000 0.000) 12.526 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 35.496 0.000 0.000) 35.496 3.610 ( 25.969 0.000 0.000) 25.969 3.686 ( 17.692 0.000 0.000) 17.692 4.866 ( -25.200 0.000 0.000) 25.200 4.916 ( 54.203 0.000 0.000) 54.203 7.329 ( 6.250 0.000 0.000) 6.250 7.419 ( -23.641 0.000 0.000) 23.641 8.220 ( -11.126 0.000 0.000) 11.126 8.776 ( 1.476 0.000 0.000) 1.476 8.794 ( 1.098 0.000 0.000) 1.098 10.632 ( -16.756 0.000 0.000) 16.756 10.776 ( -20.806 0.000 0.000) 20.806 12.213 ( 4.453 0.000 0.000) 4.453 12.499 ( -4.664 0.000 0.000) 4.664 13.086 ( 8.348 0.000 0.000) 8.348 13.435 ( -3.104 0.000 0.000) 3.104 16.436 ( 22.851 0.000 0.000) 22.851 17.625 ( -16.175 0.000 0.000) 16.175 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 32.683 0.000 0.000) 32.683 3.943 ( 7.548 0.000 0.000) 7.548 3.945 ( 8.106 0.000 0.000) 8.106 4.331 ( -29.272 0.000 0.000) 29.272 5.912 ( 46.960 0.000 0.000) 46.960 6.747 ( -37.989 0.000 0.000) 37.989 7.626 ( 16.416 0.000 0.000) 16.416 7.953 ( -15.892 0.000 0.000) 15.892 8.799 ( 0.817 0.000 0.000) 0.817 8.806 ( 0.117 0.000 0.000) 0.117 10.413 ( -4.634 0.000 0.000) 4.634 10.466 ( -9.883 0.000 0.000) 9.883 12.305 ( 4.936 0.000 0.000) 4.936 12.404 ( -5.014 0.000 0.000) 5.014 13.236 ( 6.916 0.000 0.000) 6.916 13.354 ( -5.099 0.000 0.000) 5.099 16.874 ( 21.607 0.000 0.000) 21.607 17.277 ( -19.281 0.000 0.000) 19.281 ======================= Grid point 12 (7/189) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 18.999 18.999 0.000) 26.868 1.118 ( 27.992 27.992 0.000) 39.586 2.204 ( 54.035 54.035 0.000) 76.418 2.702 ( 12.301 12.301 0.000) 17.397 5.806 ( -7.121 -7.121 0.000) 10.070 6.949 ( -2.438 -2.438 0.000) 3.448 8.427 ( -7.367 -7.367 0.000) 10.419 8.528 ( -2.833 -2.833 0.000) 4.006 8.685 ( 0.234 0.234 0.000) 0.331 8.716 ( 1.602 1.602 0.000) 2.265 11.515 ( -23.731 -23.731 0.000) 33.560 12.046 ( 1.260 1.260 0.000) 1.782 12.390 ( 7.699 7.699 0.000) 10.888 12.437 ( 3.747 3.747 0.000) 5.299 12.678 ( -1.415 -1.415 0.000) 2.002 13.549 ( 1.259 1.259 0.000) 1.781 15.287 ( 7.072 7.072 0.000) 10.001 18.184 ( -5.150 -5.150 0.000) 7.283 ======================= Grid point 13 (8/189) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 50.516 -23.593 0.000) 55.754 1.749 ( 34.578 16.537 0.000) 38.330 3.018 ( 20.251 13.666 0.000) 24.431 3.259 ( 51.421 43.486 0.000) 67.344 5.601 ( -13.652 -5.761 0.000) 14.818 6.946 ( 1.853 -8.992 0.000) 9.181 8.210 ( -14.736 -5.935 0.000) 15.886 8.443 ( -6.041 -6.284 0.000) 8.716 8.699 ( 1.164 -0.534 0.000) 1.280 8.750 ( 1.812 1.585 0.000) 2.407 11.027 ( -24.495 -25.274 0.000) 35.197 12.083 ( 2.445 1.095 0.000) 2.679 12.198 ( -15.219 28.529 0.000) 32.335 12.638 ( -2.707 -1.262 0.000) 2.987 12.722 ( 13.181 0.544 0.000) 13.192 13.556 ( -0.110 4.630 0.000) 4.631 15.520 ( 15.898 -3.519 0.000) 16.283 18.044 ( -9.225 -6.829 0.000) 11.477 ======================= Grid point 14 (9/189) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 35.134 10.228 0.000) 36.593 2.550 ( 48.613 -26.866 0.000) 55.543 3.434 ( 21.441 11.599 0.000) 24.377 4.219 ( 45.866 32.296 0.000) 56.096 5.276 ( -19.306 -3.885 0.000) 19.693 7.018 ( 5.643 -12.666 0.000) 13.866 7.845 ( -22.692 -6.190 0.000) 23.521 8.285 ( -10.132 -12.120 0.000) 15.797 8.728 ( 1.684 -0.995 0.000) 1.956 8.783 ( 1.415 1.146 0.000) 1.821 10.609 ( -16.740 -18.411 0.000) 24.883 11.821 ( -22.757 35.366 0.000) 42.055 12.141 ( 3.475 0.832 0.000) 3.573 12.574 ( -3.761 -1.016 0.000) 3.896 12.949 ( 10.309 3.641 0.000) 10.933 13.547 ( -1.031 6.338 0.000) 6.422 15.884 ( 20.693 -10.026 0.000) 22.994 17.823 ( -13.282 -8.423 0.000) 15.728 ======================= Grid point 15 (10/189) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 33.737 6.173 0.000) 34.297 3.398 ( 36.174 -16.850 0.000) 39.906 3.820 ( 16.693 10.421 0.000) 19.679 4.849 ( -24.079 -1.746 0.000) 24.142 5.057 ( 40.132 12.684 0.000) 42.088 7.156 ( 3.161 -16.166 0.000) 16.472 7.335 ( -23.970 -8.905 0.000) 25.571 8.049 ( -13.724 -17.068 0.000) 21.901 8.761 ( 1.678 -1.055 0.000) 1.982 8.803 ( 0.604 0.485 0.000) 0.774 10.413 ( -2.660 -2.249 0.000) 3.484 11.336 ( -25.676 36.016 0.000) 44.231 12.218 ( 4.265 0.490 0.000) 4.293 12.492 ( -4.483 -0.690 0.000) 4.536 13.136 ( 8.838 4.830 0.000) 10.071 13.507 ( -3.148 6.987 0.000) 7.663 16.311 ( 22.422 -12.505 0.000) 25.673 17.525 ( -16.955 -10.032 0.000) 19.701 ======================= Grid point 16 (11/189) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.754 ( 31.293 3.129 0.000) 31.449 3.916 ( 16.052 -1.850 0.000) 16.158 4.033 ( 3.519 7.153 0.000) 7.971 4.337 ( -28.057 0.568 0.000) 28.063 5.830 ( 39.494 -7.728 0.000) 40.243 6.599 ( -38.027 -15.198 0.000) 40.952 7.456 ( 14.751 -15.074 0.000) 21.091 7.759 ( -15.498 -17.435 0.000) 23.328 8.790 ( 1.184 -0.758 0.000) 1.406 8.806 ( -0.351 -0.203 0.000) 0.405 10.509 ( 12.046 16.091 0.000) 20.100 10.855 ( -22.238 29.661 0.000) 37.071 12.306 ( 4.731 0.097 0.000) 4.732 12.401 ( -4.813 -0.309 0.000) 4.823 13.295 ( 7.388 5.771 0.000) 9.375 13.422 ( -5.472 6.621 0.000) 8.589 16.749 ( 21.945 -12.588 0.000) 25.299 17.162 ( -19.958 -11.534 0.000) 23.051 ======================= Grid point 24 (12/189) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 18.005 18.005 0.000) 25.463 2.175 ( 25.614 25.614 0.000) 36.223 3.331 ( 18.778 18.778 0.000) 26.556 4.132 ( 42.611 42.611 0.000) 60.261 5.433 ( -11.285 -11.285 0.000) 15.959 6.792 ( -5.689 -5.689 0.000) 8.046 8.042 ( -11.716 -11.716 0.000) 16.569 8.225 ( -16.100 -16.100 0.000) 22.768 8.697 ( 0.392 0.392 0.000) 0.554 8.780 ( 1.380 1.380 0.000) 1.952 10.600 ( -16.550 -16.550 0.000) 23.405 12.115 ( 2.126 2.126 0.000) 3.006 12.601 ( -2.409 -2.409 0.000) 3.406 12.628 ( 6.210 6.210 0.000) 8.782 12.757 ( 9.751 9.751 0.000) 13.790 13.641 ( 3.835 3.835 0.000) 5.424 15.492 ( 2.128 2.128 0.000) 3.009 17.860 ( -11.672 -11.672 0.000) 16.506 ======================= Grid point 25 (13/189) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 42.901 -12.418 0.000) 44.662 2.716 ( 28.851 17.540 0.000) 33.765 3.727 ( 20.576 17.899 0.000) 27.271 4.869 ( 31.362 31.701 0.000) 44.593 5.161 ( -16.354 -7.856 0.000) 18.143 6.738 ( 0.325 -14.398 0.000) 14.401 7.657 ( -29.211 -14.771 0.000) 32.733 7.903 ( -14.082 -24.479 0.000) 28.241 8.713 ( 1.199 -0.385 0.000) 1.260 8.802 ( 0.731 0.692 0.000) 1.007 10.429 ( -0.322 0.412 0.000) 0.523 12.165 ( 3.023 1.618 0.000) 3.429 12.477 ( -15.758 30.028 0.000) 33.912 12.545 ( -3.334 -1.930 0.000) 3.852 13.030 ( 12.746 3.547 0.000) 13.230 13.700 ( 1.730 9.003 0.000) 9.168 15.635 ( 12.558 -13.912 0.000) 18.742 17.590 ( -15.822 -14.966 0.000) 21.779 ======================= Grid point 26 (14/189) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 45.671 -19.347 0.000) 49.600 3.286 ( 28.967 11.002 0.000) 30.986 4.090 ( 14.758 16.831 0.000) 22.385 4.796 ( -20.804 -3.795 0.000) 21.147 5.340 ( 17.291 14.349 0.000) 22.469 6.752 ( -9.076 -24.363 0.000) 25.999 7.046 ( -20.621 -20.626 0.000) 29.166 7.642 ( -13.144 -20.882 0.000) 24.675 8.742 ( 1.597 -0.884 0.000) 1.825 8.808 ( -0.123 -0.054 0.000) 0.134 10.579 ( 14.882 17.543 0.000) 23.005 12.062 ( -25.581 36.622 0.000) 44.671 12.232 ( 3.717 0.961 0.000) 3.839 12.473 ( -3.956 -1.300 0.000) 4.164 13.253 ( 10.416 6.308 0.000) 12.177 13.691 ( -2.787 11.535 0.000) 11.867 15.965 ( 20.200 -22.118 0.000) 29.954 17.243 ( -19.401 -18.342 0.000) 26.698 ======================= Grid point 27 (15/189) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( 32.951 -8.737 0.000) 34.089 3.840 ( 27.320 5.519 0.000) 27.872 4.210 ( -5.386 9.936 0.000) 11.302 4.350 ( -24.508 0.662 0.000) 24.517 5.653 ( 18.638 -9.245 0.000) 20.805 6.168 ( -33.314 -26.874 0.000) 42.803 7.122 ( 12.504 -17.732 0.000) 21.697 7.382 ( -13.418 -19.007 0.000) 23.266 8.773 ( 1.487 -0.973 0.000) 1.777 8.797 ( -0.938 -0.662 0.000) 1.148 10.980 ( 25.027 29.898 0.000) 38.990 11.518 ( -28.732 36.309 0.000) 46.302 12.309 ( 4.137 0.210 0.000) 4.142 12.392 ( -4.226 -0.567 0.000) 4.264 13.443 ( 8.894 8.685 0.000) 12.431 13.597 ( -6.563 10.753 0.000) 12.598 16.393 ( 22.752 -23.274 0.000) 32.548 16.836 ( -21.976 -21.360 0.000) 30.646 ======================= Grid point 36 (16/189) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 16.690 16.690 0.000) 23.603 3.102 ( 21.306 21.306 0.000) 30.131 4.110 ( 20.335 20.335 0.000) 28.758 4.968 ( -11.852 -11.852 0.000) 16.761 5.384 ( 18.432 18.432 0.000) 26.067 6.496 ( -9.374 -9.374 0.000) 13.257 7.116 ( -36.461 -36.461 0.000) 51.563 7.543 ( -13.368 -13.368 0.000) 18.905 8.714 ( 0.424 0.424 0.000) 0.600 8.808 ( -0.020 -0.020 0.000) 0.028 10.605 ( 16.594 16.594 0.000) 23.467 12.204 ( 2.310 2.310 0.000) 3.266 12.499 ( -2.652 -2.652 0.000) 3.751 12.933 ( 9.425 9.425 0.000) 13.329 13.058 ( 4.947 4.947 0.000) 6.995 13.886 ( 8.646 8.646 0.000) 12.227 15.416 ( -5.972 -5.972 0.000) 8.446 17.247 ( -19.824 -19.824 0.000) 28.035 ======================= Grid point 37 (17/189) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 38.241 -8.282 0.000) 39.127 3.533 ( 22.263 13.804 0.000) 26.195 4.463 ( 12.494 20.831 0.000) 24.290 4.698 ( -15.643 -6.272 0.000) 16.854 5.496 ( -6.649 -5.636 0.000) 8.716 6.251 ( -25.998 -20.363 0.000) 33.024 6.609 ( -1.054 -21.154 0.000) 21.180 7.292 ( -12.706 -15.399 0.000) 19.964 8.729 ( 1.094 -0.350 0.000) 1.148 8.801 ( -0.737 -0.638 0.000) 0.975 11.042 ( 27.009 28.562 0.000) 39.310 12.255 ( 2.855 1.392 0.000) 3.177 12.442 ( -3.120 -1.764 0.000) 3.584 12.733 ( -20.007 30.986 0.000) 36.884 13.340 ( 15.007 1.499 0.000) 15.082 13.961 ( -2.064 15.885 0.000) 16.019 15.481 ( 12.851 -25.934 0.000) 28.944 16.821 ( -23.338 -24.338 0.000) 33.719 ======================= Grid point 38 (18/189) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( 44.568 -16.440 0.000) 47.504 3.962 ( 21.257 6.690 0.000) 22.285 4.343 ( -28.746 -0.301 0.000) 28.747 4.358 ( -18.902 -0.017 0.000) 18.902 5.432 ( 8.350 -14.769 0.000) 16.966 5.752 ( -21.488 -8.537 0.000) 23.122 6.786 ( 12.737 -16.210 0.000) 20.616 7.041 ( -12.951 -15.905 0.000) 20.511 8.754 ( 1.393 -0.856 0.000) 1.635 8.781 ( -1.250 -0.952 0.000) 1.571 11.626 ( 31.536 35.072 0.000) 47.166 12.236 ( -29.453 36.021 0.000) 46.529 12.315 ( 3.202 0.347 0.000) 3.221 12.379 ( -3.302 -0.736 0.000) 3.383 13.610 ( 12.665 7.860 0.000) 14.906 13.833 ( -9.702 13.253 0.000) 16.425 15.857 ( 23.443 -30.813 0.000) 38.717 16.342 ( -25.148 -28.466 0.000) 37.983 ======================= Grid point 48 (19/189) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 14.026 14.026 0.000) 19.836 3.814 ( 14.582 14.582 0.000) 20.622 4.548 ( -9.027 -9.027 0.000) 12.767 4.887 ( 18.824 18.824 0.000) 26.621 4.944 ( -39.329 -39.329 0.000) 55.619 6.085 ( -10.883 -10.883 0.000) 15.391 6.330 ( 0.074 0.074 0.000) 0.105 7.010 ( -13.651 -13.651 0.000) 19.306 8.729 ( 0.322 0.322 0.000) 0.456 8.784 ( -1.051 -1.051 0.000) 1.487 11.660 ( 33.556 33.556 0.000) 47.456 12.286 ( 1.753 1.753 0.000) 2.479 12.405 ( -2.039 -2.039 0.000) 2.884 13.164 ( 1.104 1.104 0.000) 1.561 13.373 ( 13.191 13.191 0.000) 18.654 14.252 ( 8.842 8.842 0.000) 12.504 15.053 ( -11.870 -11.870 0.000) 16.786 16.304 ( -28.007 -28.007 0.000) 39.608 ======================= Grid point 49 (20/189) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 34.399 -11.547 0.000) 36.286 4.057 ( -44.692 -26.537 0.000) 51.977 4.094 ( 13.707 6.533 0.000) 15.184 4.344 ( -11.677 -1.473 0.000) 11.769 5.325 ( 21.861 5.899 0.000) 22.643 5.740 ( -20.267 2.615 0.000) 20.435 6.502 ( 12.060 -11.862 0.000) 16.916 6.750 ( -12.979 -13.803 0.000) 18.947 8.741 ( 0.887 -0.447 0.000) 0.993 8.762 ( -1.153 -0.954 0.000) 1.496 12.319 ( 32.491 34.526 0.000) 47.410 12.323 ( 2.008 0.501 0.000) 2.069 12.364 ( -2.115 -0.799 0.000) 2.261 12.882 ( -23.442 27.697 0.000) 36.286 13.753 ( 19.806 7.696 0.000) 21.249 14.124 ( -17.148 16.944 0.000) 24.107 15.211 ( 22.889 -34.311 0.000) 41.245 15.740 ( -28.917 -32.329 0.000) 43.375 ======================= Grid point 60 (21/189) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 6.415 6.415 0.000) 9.073 3.516 ( -24.439 -24.439 0.000) 34.562 4.211 ( 5.280 5.280 0.000) 7.467 4.297 ( -3.400 -3.400 0.000) 4.808 5.534 ( 12.475 12.475 0.000) 17.642 5.731 ( -5.657 -5.657 0.000) 8.000 6.379 ( 0.695 0.695 0.000) 0.983 6.506 ( -10.562 -10.562 0.000) 14.938 8.738 ( 0.120 0.120 0.000) 0.169 8.745 ( -0.647 -0.647 0.000) 0.914 12.334 ( 0.650 0.650 0.000) 0.919 12.348 ( -0.761 -0.761 0.000) 1.077 12.919 ( 24.499 24.499 0.000) 34.647 13.183 ( 0.101 0.101 0.000) 0.143 14.011 ( 20.863 20.863 0.000) 29.505 14.507 ( 3.561 3.561 0.000) 5.036 14.571 ( -10.431 -10.431 0.000) 14.751 15.102 ( -31.859 -31.859 0.000) 45.056 ======================= Grid point 121 (22/189) ======================= q-point: ( 0.00 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 0.000 40.522) 40.522 0.824 ( 0.000 -0.000 40.522) 40.522 1.613 ( 0.000 0.000 78.514) 78.514 2.562 ( -0.000 -0.000 11.077) 11.077 6.244 ( 0.000 0.000 27.751) 27.751 6.917 ( 0.000 0.000 -7.133) 7.133 6.917 ( 0.000 0.000 -7.133) 7.133 8.537 ( -0.000 -0.000 -4.063) 4.063 8.802 ( -0.000 -0.000 11.311) 11.311 8.802 ( -0.000 -0.000 11.311) 11.311 12.100 ( 0.000 0.000 1.582) 1.582 12.151 ( 0.000 0.000 -7.599) 7.599 12.151 ( 0.000 0.000 -7.599) 7.599 12.709 ( 0.000 0.000 0.132) 0.132 13.481 ( 0.000 -0.000 -4.226) 4.226 13.481 ( 0.000 0.000 -4.226) 4.226 15.078 ( 0.000 0.000 -2.541) 2.541 18.211 ( 0.000 0.000 -4.385) 4.385 ======================= Grid point 122 (23/189) ======================= q-point: ( 0.09 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 26.879 0.000 28.021) 38.828 1.334 ( 41.378 0.000 24.129) 47.899 2.079 ( 40.885 0.000 61.647) 73.973 2.680 ( 11.648 0.000 9.862) 15.262 6.161 ( -8.269 0.000 26.775) 28.023 6.938 ( 2.075 0.000 -6.350) 6.680 7.629 ( 41.373 0.000 -41.688) 58.734 8.436 ( -9.429 0.000 -5.126) 10.732 8.810 ( 0.750 0.000 11.191) 11.216 8.838 ( 2.859 0.000 12.486) 12.809 11.561 ( -29.116 0.000 -4.464) 29.457 12.009 ( -13.821 0.000 -7.761) 15.851 12.429 ( 6.145 0.000 -5.469) 8.226 12.704 ( -1.030 0.000 0.953) 1.404 13.113 ( -17.567 0.000 33.226) 37.584 13.471 ( -0.544 0.000 -4.111) 4.147 15.204 ( 12.185 0.000 -3.145) 12.584 18.143 ( -5.548 0.000 -6.928) 8.876 ======================= Grid point 123 (24/189) ======================= q-point: ( 0.18 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 36.126 0.000 15.946) 39.489 2.204 ( 44.755 0.000 13.012) 46.608 2.957 ( 28.577 0.000 23.494) 36.995 3.050 ( 42.549 0.000 26.380) 50.064 5.929 ( -15.172 0.000 25.134) 29.358 6.997 ( 3.997 0.000 -5.294) 6.633 8.152 ( 14.183 0.000 -27.284) 30.750 8.189 ( -15.500 0.000 -6.510) 16.812 8.831 ( 1.384 0.000 10.942) 11.029 8.894 ( 2.587 0.000 14.337) 14.569 11.066 ( -21.842 0.000 -17.274) 27.847 11.645 ( -22.407 0.000 -7.328) 23.575 12.390 ( -6.538 0.000 2.212) 6.902 12.658 ( -3.619 0.000 0.604) 3.669 13.021 ( 4.184 0.000 30.511) 30.796 13.474 ( 0.834 0.000 -2.308) 2.454 15.519 ( 19.003 0.000 -4.573) 19.545 18.004 ( -8.806 0.000 -9.529) 12.975 ======================= Grid point 124 (25/189) ======================= q-point: ( 0.27 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 36.675 0.000 12.087) 38.615 3.026 ( 37.874 0.000 7.549) 38.619 3.383 ( 21.353 0.000 7.697) 22.698 4.068 ( 53.098 0.000 27.138) 59.632 5.575 ( -20.729 0.000 23.850) 31.600 7.102 ( 7.055 0.000 -4.855) 8.564 7.832 ( -20.880 0.000 -6.003) 21.726 8.280 ( 0.382 0.000 -10.709) 10.716 8.861 ( 1.516 0.000 10.755) 10.861 8.935 ( 1.542 0.000 15.003) 15.082 10.673 ( -18.401 0.000 -24.032) 30.267 11.168 ( -25.235 0.000 -6.892) 26.159 12.280 ( -3.748 0.000 3.860) 5.380 12.570 ( -5.070 0.000 -1.397) 5.259 13.145 ( 7.048 0.000 22.443) 23.524 13.493 ( 0.860 0.000 1.464) 1.698 15.923 ( 21.718 0.000 -6.227) 22.593 17.795 ( -12.466 0.000 -10.323) 16.186 ======================= Grid point 125 (26/189) ======================= q-point: ( 0.36 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 33.736 0.000 9.958) 35.175 3.641 ( 23.671 0.000 3.795) 23.973 3.787 ( 19.288 0.000 8.406) 21.040 5.083 ( 49.698 0.000 17.549) 52.705 5.124 ( -24.975 0.000 22.992) 33.947 7.287 ( 11.015 0.000 -4.183) 11.782 7.368 ( -25.650 0.000 -3.285) 25.860 8.193 ( -9.078 0.000 -2.755) 9.487 8.888 ( 1.326 0.000 10.416) 10.500 8.952 ( 0.128 0.000 14.246) 14.247 10.364 ( -12.173 0.000 -22.246) 25.359 10.696 ( -21.802 0.000 -7.703) 23.123 12.249 ( 0.369 0.000 0.460) 0.590 12.466 ( -5.352 0.000 -3.143) 6.206 13.278 ( 6.326 0.000 17.873) 18.959 13.497 ( -0.694 0.000 5.822) 5.863 16.356 ( 22.127 0.000 -7.740) 23.441 17.516 ( -15.929 0.000 -10.302) 18.970 ======================= Grid point 126 (27/189) ======================= q-point: ( 0.45 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( 21.965 0.000 3.399) 22.226 3.917 ( 3.645 0.000 0.410) 3.668 4.148 ( 19.324 0.000 16.357) 25.317 4.611 ( -26.545 0.000 22.451) 34.766 5.997 ( 43.107 0.000 9.497) 44.140 6.762 ( -34.764 0.000 2.528) 34.855 7.587 ( 17.480 0.000 -3.387) 17.805 7.935 ( -16.578 0.000 -1.660) 16.661 8.915 ( 1.428 0.000 10.702) 10.797 8.941 ( -1.101 0.000 12.411) 12.459 10.234 ( -0.478 0.000 -16.125) 16.132 10.352 ( -12.365 0.000 -10.630) 16.306 12.286 ( 3.186 0.000 -2.471) 4.032 12.366 ( -4.754 0.000 -3.646) 5.991 13.388 ( 4.794 0.000 14.005) 14.803 13.463 ( -2.806 0.000 10.049) 10.434 16.781 ( 21.043 0.000 -8.953) 22.869 17.174 ( -18.878 0.000 -9.814) 21.277 ======================= Grid point 133 (28/189) ======================= q-point: ( 0.09 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 12.819 12.819 29.778) 34.863 1.568 ( 23.219 23.219 31.025) 45.175 2.610 ( 42.437 42.437 40.749) 72.541 2.793 ( 11.182 11.182 8.781) 18.088 6.092 ( -7.320 -7.320 26.944) 28.864 6.874 ( -2.263 -2.263 -6.874) 7.583 7.949 ( 20.754 20.754 -36.345) 46.716 8.348 ( -8.493 -8.493 -6.098) 13.471 8.838 ( 1.636 1.636 11.240) 11.475 8.844 ( 1.323 1.323 13.380) 13.510 11.149 ( -26.742 -26.742 -11.813) 39.621 12.264 ( -6.496 -6.496 -4.426) 10.197 12.314 ( 7.786 7.786 -7.564) 13.358 12.713 ( -0.067 -0.067 2.991) 2.992 12.995 ( -5.970 -5.970 36.157) 37.130 13.499 ( 0.969 0.969 -4.686) 4.882 15.254 ( 6.390 6.390 -3.245) 9.602 18.086 ( -5.414 -5.414 -7.855) 10.970 ======================= Grid point 134 (29/189) ======================= q-point: ( 0.18 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 37.977 -8.646 15.522) 41.928 2.153 ( 34.620 8.204 28.022) 45.289 3.091 ( 18.550 10.564 6.689) 22.371 3.508 ( 46.689 37.588 26.429) 65.508 5.878 ( -14.240 -5.369 25.773) 29.931 6.879 ( 2.300 -9.093 -6.037) 11.154 8.116 ( -14.541 -6.662 -7.535) 17.681 8.224 ( 6.241 3.396 -18.542) 19.857 8.852 ( 0.732 1.869 12.206) 12.370 8.895 ( 2.677 0.143 13.920) 14.176 10.667 ( -21.847 -25.772 -21.212) 39.893 11.984 ( -15.790 15.121 -6.824) 22.902 12.409 ( -2.746 7.841 -0.250) 8.312 12.678 ( -3.425 0.932 3.382) 4.903 13.005 ( 6.331 -1.379 28.740) 29.461 13.511 ( 0.803 2.988 -4.162) 5.186 15.469 ( 15.013 -3.850 -4.845) 16.238 17.941 ( -9.392 -6.284 -9.119) 14.520 ======================= Grid point 135 (30/189) ======================= q-point: ( 0.27 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 39.364 -6.363 7.293) 40.537 2.876 ( 37.856 -4.273 22.146) 44.065 3.486 ( 20.819 9.707 4.871) 23.481 4.388 ( 42.205 26.377 18.483) 53.090 5.545 ( -19.306 -3.048 24.583) 31.406 6.958 ( 5.962 -12.736 -5.338) 15.042 7.766 ( -21.209 -6.453 -6.395) 23.073 8.221 ( -6.062 -8.697 -5.861) 12.114 8.869 ( 1.040 1.018 11.829) 11.918 8.940 ( 1.734 0.252 14.741) 14.845 10.320 ( -12.580 -17.980 -22.975) 31.771 11.637 ( -20.266 28.717 -10.735) 36.750 12.315 ( -4.419 5.898 4.016) 8.393 12.593 ( -5.033 1.613 1.540) 5.505 13.159 ( 8.067 1.344 20.705) 22.261 13.532 ( 1.032 3.666 -1.230) 4.002 15.817 ( 19.935 -10.190 -6.435) 23.295 17.718 ( -13.263 -7.755 -9.669) 18.154 ======================= Grid point 136 (31/189) ======================= q-point: ( 0.36 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 34.511 -0.931 6.617) 35.152 3.565 ( 30.035 -4.887 12.935) 33.065 3.874 ( 17.973 8.503 5.628) 20.664 5.030 ( -3.660 -2.295 16.366) 16.926 5.253 ( 17.144 9.414 20.174) 28.099 7.114 ( 7.528 -15.880 -4.231) 18.077 7.284 ( -25.547 -8.708 -3.320) 27.193 8.016 ( -13.878 -18.423 -2.631) 23.215 8.894 ( 1.562 0.966 11.531) 11.677 8.961 ( 0.388 0.455 14.673) 14.685 10.205 ( 1.153 -0.940 -18.632) 18.692 11.192 ( -24.331 34.120 -11.426) 43.437 12.272 ( 0.046 2.918 1.452) 3.260 12.489 ( -5.373 1.911 -0.589) 5.733 13.305 ( 6.769 2.709 16.143) 17.713 13.538 ( -0.653 4.098 3.119) 5.191 16.231 ( 21.805 -12.477 -7.747) 26.290 17.423 ( -16.794 -9.450 -9.708) 21.577 ======================= Grid point 137 (32/189) ======================= q-point: ( 0.45 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.767 ( 23.447 1.809 3.245) 23.739 3.951 ( 6.346 3.557 1.994) 7.543 4.193 ( 16.654 4.502 15.560) 23.232 4.607 ( -24.535 -0.487 21.797) 32.822 5.908 ( 36.377 -8.422 8.974) 38.402 6.622 ( -35.388 -14.520 3.237) 38.388 7.400 ( 15.280 -16.433 -4.925) 22.973 7.714 ( -16.213 -19.671 -3.837) 25.779 8.928 ( 1.703 1.064 12.388) 12.550 8.955 ( -0.937 0.785 13.750) 13.805 10.358 ( 13.975 16.924 -13.954) 26.008 10.724 ( -22.361 29.537 -11.777) 38.873 12.307 ( 3.190 2.143 -1.046) 3.982 12.388 ( -4.811 2.015 -1.652) 5.471 13.422 ( 5.089 3.437 12.022) 13.500 13.502 ( -2.989 3.956 7.688) 9.148 16.658 ( 21.492 -12.360 -8.735) 26.286 17.064 ( -19.658 -11.113 -9.386) 24.455 ======================= Grid point 145 (33/189) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 15.653 15.653 19.380) 29.421 2.498 ( 23.738 23.738 26.726) 42.910 3.372 ( 17.504 17.504 4.107) 25.092 4.277 ( 38.234 38.234 15.921) 56.367 5.715 ( -11.130 -11.130 26.210) 30.574 6.729 ( -5.278 -5.278 -5.935) 9.536 7.929 ( -12.371 -12.371 -9.006) 19.677 8.172 ( -10.317 -10.317 -4.984) 15.419 8.886 ( 0.878 0.878 16.109) 16.157 8.906 ( 1.563 1.563 11.556) 11.765 10.262 ( -13.459 -13.459 -25.384) 31.728 12.051 ( -2.172 -2.172 -6.241) 6.956 12.668 ( -1.965 -1.965 5.946) 6.563 12.693 ( 10.347 10.347 -6.607) 16.056 12.996 ( 3.251 3.251 28.390) 28.760 13.569 ( 2.938 2.938 -6.646) 7.838 15.433 ( 1.634 1.634 -5.730) 6.178 17.766 ( -11.358 -11.358 -8.610) 18.225 ======================= Grid point 146 (34/189) ======================= q-point: ( 0.27 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 37.217 -7.658 12.019) 39.853 3.020 ( 28.622 15.263 25.216) 41.085 3.747 ( 19.855 16.483 2.114) 25.892 4.925 ( 25.120 25.129 8.825) 36.611 5.461 ( -13.142 -4.770 26.115) 29.622 6.683 ( 0.762 -13.866 -5.130) 14.804 7.590 ( -24.632 -11.719 -6.392) 28.017 7.858 ( -17.757 -27.635 -2.316) 32.929 8.897 ( 0.706 1.434 15.156) 15.240 8.943 ( 1.680 0.347 13.665) 13.772 10.176 ( 4.472 3.740 -21.660) 22.430 11.992 ( -4.218 7.729 -10.777) 13.917 12.600 ( -6.005 4.710 4.257) 8.739 12.639 ( -9.477 19.330 4.882) 22.075 13.183 ( 11.216 0.380 17.158) 20.502 13.628 ( 2.737 6.091 -6.643) 9.419 15.566 ( 12.071 -13.922 -6.720) 19.614 17.500 ( -15.704 -14.290 -8.410) 22.837 ======================= Grid point 147 (35/189) ======================= q-point: ( 0.36 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 40.639 -12.509 4.952) 42.808 3.593 ( 28.959 8.103 22.846) 37.765 4.109 ( 15.660 15.161 2.245) 21.912 4.983 ( -16.979 -3.095 16.333) 23.762 5.459 ( 11.612 10.757 13.422) 20.753 6.731 ( -2.681 -22.400 -2.414) 22.689 7.003 ( -25.634 -20.684 -2.599) 33.041 7.555 ( -13.844 -24.279 -6.920) 28.793 8.917 ( 1.299 0.997 14.988) 15.077 8.965 ( 0.514 0.139 14.859) 14.869 10.405 ( 17.911 19.544 -15.694) 30.807 11.814 ( -16.216 25.260 -14.329) 33.261 12.411 ( -6.997 13.247 5.859) 16.086 12.525 ( -4.827 1.838 4.634) 6.939 13.372 ( 8.290 3.625 11.982) 15.014 13.655 ( -0.327 7.897 -3.103) 8.491 15.887 ( 19.803 -21.862 -7.547) 30.448 17.155 ( -19.337 -17.580 -8.361) 27.438 ======================= Grid point 148 (36/189) ======================= q-point: ( 0.45 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 31.017 -4.389 2.124) 31.398 4.059 ( 10.182 7.230 8.079) 14.873 4.310 ( 7.498 6.521 14.163) 17.301 4.598 ( -18.986 0.219 19.591) 27.283 5.711 ( 16.674 -10.333 7.291) 20.928 6.199 ( -32.309 -27.106 4.336) 42.396 7.042 ( 12.083 -18.665 -6.769) 23.243 7.294 ( -13.080 -20.943 -7.450) 25.792 8.944 ( 1.289 0.473 15.202) 15.263 8.964 ( -0.613 0.159 15.272) 15.285 10.843 ( 25.786 30.364 -12.419) 41.727 11.371 ( -26.666 34.349 -12.343) 45.203 12.372 ( 1.609 4.624 3.428) 5.976 12.434 ( -4.247 2.590 3.080) 5.851 13.514 ( 6.212 5.630 7.143) 11.015 13.613 ( -3.750 7.273 1.975) 8.418 16.309 ( 22.524 -22.815 -8.063) 33.059 16.748 ( -21.870 -20.704 -8.292) 31.236 ======================= Grid point 157 (37/189) ======================= q-point: ( 0.27 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 15.464 15.464 13.708) 25.810 3.386 ( 21.027 21.027 24.667) 38.636 4.107 ( 19.352 19.352 -0.258) 27.369 5.140 ( -6.709 -6.709 14.149) 17.036 5.514 ( 11.473 11.473 15.162) 22.207 6.452 ( -8.798 -8.798 -4.163) 13.120 7.122 ( -37.330 -37.330 1.456) 52.813 7.410 ( -13.805 -13.805 -11.153) 22.484 8.915 ( 0.610 0.610 17.622) 17.643 8.958 ( 0.888 0.888 13.617) 13.675 10.421 ( 19.693 19.693 -16.465) 32.353 12.079 ( 2.826 2.826 -9.610) 10.408 12.582 ( -2.182 -2.182 7.470) 8.082 13.027 ( 5.740 5.740 -3.413) 8.806 13.181 ( 6.042 6.042 20.379) 22.098 13.769 ( 7.533 7.533 -11.047) 15.347 15.349 ( -5.808 -5.808 -6.580) 10.524 17.167 ( -19.443 -19.443 -7.452) 28.488 ======================= Grid point 158 (38/189) ======================= q-point: ( 0.36 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 34.712 -5.995 9.386) 36.455 3.819 ( 22.593 13.793 24.612) 36.144 4.453 ( 12.957 19.352 -0.766) 23.302 4.889 ( -15.832 -7.105 16.142) 23.700 5.599 ( -5.480 -1.706 11.414) 12.776 6.247 ( -25.239 -22.952 0.232) 34.116 6.544 ( -4.605 -22.491 -5.056) 23.508 7.159 ( -12.349 -16.720 -11.208) 23.615 8.929 ( 0.831 0.300 17.612) 17.634 8.969 ( 0.131 0.133 15.301) 15.302 10.901 ( 28.244 29.663 -12.725) 42.890 12.113 ( -0.169 7.900 -10.682) 13.287 12.528 ( -3.057 0.088 7.442) 8.046 12.835 ( -16.735 24.161 5.343) 29.872 13.423 ( 11.999 1.112 8.842) 14.946 13.856 ( 0.135 12.775 -9.864) 16.140 15.413 ( 12.567 -25.069 -6.602) 28.809 16.746 ( -23.212 -23.744 -7.011) 33.937 ======================= Grid point 159 (39/189) ======================= q-point: ( 0.45 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( 40.020 -12.769 3.877) 42.186 4.199 ( -0.385 5.061 10.966) 12.084 4.373 ( -5.498 -1.351 17.210) 18.117 4.659 ( -12.091 5.876 18.444) 22.823 5.484 ( 2.484 -16.362 7.550) 18.190 5.739 ( -20.589 -11.395 -0.045) 23.532 6.687 ( 11.466 -17.403 -8.278) 22.424 6.921 ( -12.036 -17.342 -10.191) 23.441 8.947 ( 0.953 -0.070 17.224) 17.250 8.963 ( -0.621 -0.177 16.506) 16.519 11.484 ( 29.837 33.658 -12.060) 46.568 11.979 ( -16.940 24.246 -14.109) 32.770 12.478 ( -1.202 3.609 7.768) 8.649 12.538 ( -9.271 13.195 9.941) 18.944 13.629 ( 9.248 5.796 2.071) 11.109 13.785 ( -6.432 10.326 -4.361) 12.924 15.784 ( 23.301 -30.108 -6.891) 38.691 16.268 ( -25.125 -27.803 -6.925) 38.108 ======================= Grid point 169 (40/189) ======================= q-point: ( 0.36 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 13.308 13.308 10.310) 21.459 4.107 ( 15.122 15.122 25.944) 33.622 4.649 ( -18.522 -18.522 8.187) 27.444 4.854 ( 18.357 18.357 -3.213) 26.158 5.197 ( -28.415 -28.415 25.433) 47.556 6.062 ( -10.417 -10.417 -2.150) 14.888 6.213 ( -2.169 -2.169 -9.538) 10.019 6.863 ( -13.978 -13.978 -12.669) 23.480 8.935 ( 0.383 0.383 18.340) 18.348 8.967 ( -0.307 -0.307 16.587) 16.593 11.521 ( 32.332 32.332 -11.776) 47.216 12.217 ( 3.611 3.611 -6.084) 7.943 12.526 ( 0.214 0.214 10.001) 10.005 13.151 ( 1.301 1.301 -1.418) 2.323 13.479 ( 9.462 9.462 9.345) 16.321 14.105 ( 8.388 8.388 -14.162) 18.473 15.010 ( -10.759 -10.759 -4.248) 15.797 16.238 ( -27.708 -27.708 -6.094) 39.656 ======================= Grid point 170 (41/189) ======================= q-point: ( 0.45 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 31.487 -9.587 7.252) 33.704 4.040 ( -37.315 -21.185 2.301) 42.971 4.416 ( 14.550 6.251 28.617) 32.706 4.716 ( -16.320 -1.847 30.164) 34.346 5.301 ( 20.985 3.484 -1.429) 21.320 5.709 ( -20.279 3.162 -2.822) 20.717 6.369 ( 11.186 -14.437 -11.176) 21.412 6.603 ( -12.565 -15.125 -12.585) 23.346 8.945 ( 0.616 -0.091 18.261) 18.271 8.957 ( -0.623 -0.379 17.657) 17.672 12.081 ( 20.546 23.259 -12.489) 33.452 12.253 ( -0.806 6.417 -6.074) 8.873 12.593 ( 9.834 11.301 11.474) 18.870 12.931 ( -18.984 21.626 3.649) 29.007 13.748 ( 14.812 7.220 -0.708) 16.493 14.030 ( -12.921 15.202 -9.406) 22.057 15.156 ( 21.958 -33.040 -4.893) 39.972 15.678 ( -28.777 -31.867 -5.638) 43.306 ======================= Grid point 181 (42/189) ======================= q-point: ( 0.45 0.45 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 6.152 6.152 8.492) 12.158 3.576 ( -21.861 -21.861 6.310) 31.553 4.540 ( 5.886 5.886 30.353) 31.474 4.643 ( -4.600 -4.600 31.772) 32.431 5.506 ( 13.526 13.526 -2.970) 19.357 5.722 ( -5.478 -5.478 -0.881) 7.797 6.195 ( -0.412 -0.412 -16.274) 16.284 6.334 ( -11.848 -11.848 -14.998) 22.488 8.945 ( 0.133 0.133 18.621) 18.622 8.950 ( -0.349 -0.349 18.404) 18.410 12.307 ( 3.415 3.415 -3.353) 5.879 12.322 ( 1.307 1.307 -1.474) 2.364 12.954 ( 19.817 19.817 2.914) 28.177 13.172 ( 0.134 0.134 -1.008) 1.026 13.984 ( 18.389 18.389 -3.704) 26.268 14.350 ( 3.427 3.427 -15.272) 16.022 14.597 ( -8.211 -8.211 2.514) 11.881 15.046 ( -31.595 -31.595 -4.498) 44.908 ======================= Grid point 242 (43/189) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.000 0.000 41.046) 41.046 1.655 ( 0.000 0.000 41.046) 41.046 2.879 ( -0.000 -0.000 19.470) 19.470 3.191 ( 0.000 0.000 76.043) 76.043 6.731 ( 0.000 0.000 -10.447) 10.447 6.731 ( -0.000 -0.000 -10.447) 10.447 7.023 ( 0.000 0.000 46.865) 46.865 8.413 ( 0.000 0.000 -8.044) 8.044 9.100 ( 0.000 0.000 16.824) 16.824 9.100 ( 0.000 0.000 16.824) 16.824 11.916 ( -0.000 -0.000 -15.378) 15.378 11.916 ( -0.000 -0.000 -15.378) 15.378 12.148 ( 0.000 0.000 3.102) 3.102 12.706 ( -0.000 -0.000 -0.723) 0.723 13.368 ( 0.000 -0.000 -6.431) 6.431 13.368 ( -0.000 -0.000 -6.431) 6.431 15.004 ( 0.000 0.000 -4.543) 4.543 18.076 ( -0.000 -0.000 -8.861) 8.861 ======================= Grid point 243 (44/189) ======================= q-point: ( 0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 13.568 0.000 36.343) 38.793 1.942 ( 26.682 0.000 33.941) 43.173 2.966 ( 8.628 0.000 17.780) 19.763 3.458 ( 25.422 0.000 70.502) 74.945 6.683 ( -5.462 0.000 -1.494) 5.663 7.000 ( -1.763 0.000 37.034) 37.076 7.051 ( 27.369 0.000 -20.160) 33.993 8.300 ( -10.510 0.000 -8.218) 13.341 9.105 ( 0.471 0.000 16.668) 16.675 9.154 ( 4.587 0.000 17.526) 18.116 11.470 ( -32.035 0.000 -6.075) 32.606 11.775 ( -13.501 0.000 -15.061) 20.226 12.278 ( 3.423 0.000 -8.412) 9.082 12.723 ( 0.256 0.000 0.697) 0.743 13.356 ( -0.014 0.000 -6.820) 6.820 13.433 ( 5.575 0.000 4.972) 7.470 15.114 ( 10.621 0.000 -5.472) 11.947 17.980 ( -8.678 0.000 -9.410) 12.801 ======================= Grid point 244 (45/189) ======================= q-point: ( 0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 26.808 0.000 26.012) 37.353 2.580 ( 35.762 0.000 23.332) 42.700 3.204 ( 15.252 0.000 13.435) 20.325 4.098 ( 37.808 0.000 60.170) 71.063 6.494 ( -13.980 0.000 17.300) 22.242 6.983 ( 0.495 0.000 15.084) 15.092 7.599 ( 25.302 0.000 -25.012) 35.578 8.041 ( -15.207 0.000 -7.487) 16.950 9.119 ( 1.020 0.000 16.267) 16.298 9.246 ( 4.246 0.000 19.158) 19.623 10.825 ( -32.106 0.000 -8.627) 33.244 11.425 ( -21.380 0.000 -13.969) 25.539 12.275 ( -2.478 0.000 -9.858) 10.165 12.669 ( -5.733 0.000 0.391) 5.746 13.407 ( 5.237 0.000 -4.111) 6.658 13.549 ( 5.731 0.000 18.282) 19.159 15.389 ( 16.623 0.000 -7.857) 18.387 17.775 ( -11.763 0.000 -12.356) 17.060 ======================= Grid point 245 (46/189) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 32.893 0.000 18.405) 37.692 3.264 ( 32.295 0.000 15.741) 35.927 3.546 ( 19.159 0.000 8.696) 21.040 4.881 ( 40.898 0.000 49.645) 64.322 6.141 ( -21.772 0.000 25.353) 33.418 7.030 ( 4.723 0.000 1.103) 4.850 7.722 ( -17.187 0.000 -3.063) 17.458 7.985 ( 13.534 0.000 -17.273) 21.944 9.143 ( 1.204 0.000 15.805) 15.850 9.308 ( 1.892 0.000 20.303) 20.391 10.250 ( -25.614 0.000 -16.702) 30.578 10.962 ( -25.111 0.000 -12.982) 28.269 12.217 ( -2.820 0.000 -8.011) 8.493 12.528 ( -7.889 0.000 -2.638) 8.319 13.534 ( 6.828 0.000 2.250) 7.189 13.649 ( 4.419 0.000 23.146) 23.564 15.745 ( 19.243 0.000 -10.902) 22.116 17.524 ( -13.845 0.000 -15.421) 20.724 ======================= Grid point 246 (47/189) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 29.855 0.000 14.470) 33.177 3.787 ( 19.644 0.000 10.591) 22.317 3.952 ( 22.680 0.000 6.756) 23.665 5.653 ( -27.614 0.000 24.179) 36.704 5.667 ( 38.498 0.000 38.975) 54.783 7.183 ( 10.330 0.000 -5.538) 11.721 7.369 ( -18.059 0.000 6.397) 19.159 8.103 ( -2.378 0.000 -6.206) 6.646 9.159 ( 0.527 0.000 14.663) 14.672 9.316 ( -1.130 0.000 20.219) 20.251 9.875 ( -11.008 0.000 -23.119) 25.606 10.472 ( -23.948 0.000 -13.859) 27.669 12.180 ( -0.714 0.000 -6.731) 6.769 12.379 ( -6.952 0.000 -5.081) 8.611 13.654 ( 5.132 0.000 9.027) 10.383 13.719 ( 2.612 0.000 22.850) 22.999 16.132 ( 20.034 0.000 -13.818) 24.337 17.230 ( -16.109 0.000 -17.023) 23.436 ======================= Grid point 247 (48/189) ======================= q-point: ( 0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( 15.092 0.000 9.298) 17.726 4.002 ( 2.083 0.000 7.715) 7.991 4.465 ( 29.727 0.000 12.219) 32.140 5.073 ( -31.053 0.000 19.134) 36.475 6.366 ( 32.300 0.000 27.569) 42.466 6.924 ( -24.708 0.000 15.206) 29.012 7.509 ( 19.104 0.000 -3.572) 19.435 7.892 ( -17.591 0.000 -2.347) 17.747 9.190 ( 3.119 0.000 14.489) 14.820 9.266 ( -3.796 0.000 18.217) 18.609 9.832 ( 5.678 0.000 -21.099) 21.849 10.061 ( -17.047 0.000 -17.113) 24.154 12.193 ( 2.134 0.000 -6.424) 6.769 12.262 ( -4.840 0.000 -6.192) 7.859 13.728 ( 2.403 0.000 15.050) 15.240 13.748 ( 0.312 0.000 19.818) 19.820 16.522 ( 19.582 0.000 -16.012) 25.295 16.894 ( -18.166 0.000 -17.148) 24.981 ======================= Grid point 254 (49/189) ======================= q-point: ( 0.09 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 7.674 7.674 36.928) 38.489 2.180 ( 20.870 20.870 30.068) 42.133 3.051 ( 8.434 8.434 16.225) 20.137 3.728 ( 25.271 25.271 63.641) 72.989 6.694 ( -1.978 -1.978 -10.213) 10.589 6.808 ( -7.199 -7.199 37.301) 38.665 7.388 ( 22.035 22.035 -15.416) 34.767 8.197 ( -9.794 -9.794 -8.786) 16.403 9.134 ( 1.573 1.573 16.724) 16.871 9.174 ( 2.834 2.834 18.118) 18.557 10.970 ( -33.072 -33.072 -8.096) 47.466 12.076 ( 7.705 7.705 -15.891) 19.268 12.127 ( -6.505 -6.505 -7.580) 11.920 12.775 ( 2.261 2.261 2.735) 4.207 13.376 ( 0.409 0.409 -6.867) 6.891 13.437 ( 2.624 2.624 10.117) 10.777 15.160 ( 5.181 5.181 -5.701) 9.283 17.902 ( -7.367 -7.367 -10.143) 14.541 ======================= Grid point 255 (50/189) ======================= q-point: ( 0.18 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 24.804 -2.664 28.609) 37.958 2.695 ( 30.207 12.405 25.045) 41.153 3.284 ( 14.939 7.882 12.217) 20.846 4.341 ( 34.849 22.197 52.425) 66.750 6.493 ( -15.279 -0.457 20.554) 25.615 6.794 ( 2.122 -14.354 8.980) 17.064 7.812 ( 18.965 15.792 -18.572) 30.887 7.951 ( -14.623 -8.744 -8.714) 19.137 9.153 ( 0.710 2.897 16.552) 16.819 9.251 ( 4.027 0.598 19.569) 19.988 10.334 ( -30.171 -33.017 -12.261) 46.376 11.801 ( -17.845 18.516 -11.094) 28.007 12.255 ( 2.568 2.867 -12.141) 12.736 12.747 ( -5.124 5.553 3.135) 8.181 13.400 ( 3.642 -0.454 -5.558) 6.660 13.536 ( 6.061 -0.942 19.115) 20.075 15.333 ( 12.368 -4.671 -8.120) 15.515 17.715 ( -11.378 -6.033 -12.372) 17.859 ======================= Grid point 256 (51/189) ======================= q-point: ( 0.27 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 33.515 -6.083 19.068) 39.037 3.305 ( 30.266 6.215 19.245) 36.401 3.620 ( 19.007 7.242 8.109) 21.897 5.026 ( 33.581 13.342 42.913) 56.100 6.137 ( -20.751 -0.643 27.296) 34.294 6.857 ( 4.793 -14.673 -1.481) 15.507 7.640 ( -16.851 -7.953 -4.568) 19.185 8.060 ( 4.719 2.460 -9.230) 10.655 9.163 ( 0.254 1.885 15.810) 15.924 9.314 ( 2.114 0.568 20.456) 20.572 9.859 ( -16.031 -22.393 -19.772) 33.902 11.407 ( -22.441 28.371 -12.355) 38.225 12.245 ( -2.104 5.471 -8.779) 10.556 12.606 ( -8.248 6.596 -0.412) 10.569 13.511 ( 6.659 -2.118 -0.579) 7.011 13.647 ( 4.866 -0.317 23.272) 23.777 15.631 ( 17.623 -10.851 -11.417) 23.636 17.462 ( -14.335 -6.336 -14.610) 21.427 ======================= Grid point 257 (52/189) ======================= q-point: ( 0.36 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 32.264 -4.076 14.180) 35.477 3.811 ( 19.865 4.288 10.975) 23.097 4.024 ( 21.986 6.707 7.477) 24.172 5.515 ( -2.462 -6.480 28.829) 29.651 5.803 ( 5.677 6.283 31.179) 32.308 6.999 ( 9.406 -16.119 -6.115) 19.639 7.286 ( -19.119 -8.296 5.847) 21.646 7.962 ( -13.657 -17.925 -2.160) 22.638 9.180 ( 2.247 3.415 14.563) 15.126 9.333 ( -0.058 1.506 20.289) 20.345 9.757 ( 4.856 0.353 -22.294) 22.819 10.928 ( -25.883 33.297 -14.213) 44.504 12.214 ( -0.474 4.490 -6.583) 7.983 12.448 ( -7.560 6.198 -3.571) 10.408 13.633 ( 5.451 -1.924 6.271) 8.529 13.721 ( 2.587 0.087 22.023) 22.175 16.006 ( 20.104 -12.542 -13.985) 27.514 17.154 ( -17.051 -7.797 -15.918) 24.595 ======================= Grid point 258 (53/189) ======================= q-point: ( 0.45 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( 17.584 2.039 9.801) 20.234 4.045 ( 2.945 4.679 7.329) 9.180 4.491 ( 26.715 2.807 10.667) 28.903 5.055 ( -29.237 -1.866 18.394) 34.592 6.270 ( 27.967 -9.317 27.428) 40.265 6.807 ( -25.605 -12.165 16.705) 32.904 7.288 ( 15.465 -18.594 -4.967) 24.689 7.626 ( -18.307 -23.709 -4.327) 30.265 9.246 ( 3.833 4.528 17.592) 18.565 9.310 ( -2.353 2.902 19.750) 20.101 9.993 ( 17.983 18.878 -20.448) 33.135 10.422 ( -24.823 30.200 -16.984) 42.622 12.236 ( 2.710 4.503 -5.840) 7.857 12.318 ( -5.543 5.330 -5.192) 9.278 13.716 ( 2.898 -1.169 12.786) 13.162 13.745 ( -0.100 -0.335 18.104) 18.107 16.406 ( 20.433 -11.664 -15.579) 28.218 16.797 ( -19.239 -9.779 -16.222) 26.999 ======================= Grid point 266 (54/189) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 11.686 11.686 29.449) 33.769 3.049 ( 22.606 22.606 24.611) 40.345 3.502 ( 14.007 14.007 8.704) 21.638 4.853 ( 27.500 27.500 40.549) 56.185 6.406 ( -12.136 -12.136 38.421) 42.080 6.569 ( -4.506 -4.506 -9.277) 11.255 7.724 ( -13.696 -13.696 -10.787) 22.171 8.042 ( 3.927 3.927 -6.651) 8.665 9.203 ( 1.462 1.462 16.067) 16.199 9.277 ( 2.246 2.246 21.075) 21.313 9.782 ( -19.305 -19.305 -19.394) 33.489 11.895 ( -3.671 -3.671 -8.276) 9.769 12.466 ( 11.352 11.352 -16.114) 22.747 12.807 ( -0.443 -0.443 7.211) 7.238 13.402 ( 1.031 1.031 -8.755) 8.876 13.544 ( 2.742 2.742 22.607) 22.938 15.269 ( -0.205 -0.205 -9.895) 9.900 17.543 ( -11.344 -11.344 -12.548) 20.367 ======================= Grid point 267 (55/189) ======================= q-point: ( 0.27 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 28.307 -3.132 22.819) 36.494 3.535 ( 25.670 16.547 21.889) 37.575 3.818 ( 17.937 12.735 5.062) 22.573 5.328 ( 18.293 15.386 31.427) 39.484 6.098 ( -16.484 -3.783 31.969) 36.167 6.555 ( 1.720 -14.502 -5.766) 15.701 7.430 ( -16.407 -12.935 -8.344) 22.497 7.867 ( -20.404 -23.808 4.298) 31.648 9.224 ( 1.828 4.504 15.548) 16.290 9.328 ( 2.383 0.801 21.836) 21.980 9.682 ( 8.222 5.924 -23.626) 25.708 11.780 ( -8.080 9.182 -10.018) 15.810 12.531 ( -4.286 21.964 -11.924) 25.357 12.730 ( -6.563 4.862 5.447) 9.817 13.468 ( 5.655 -1.578 -7.694) 9.678 13.636 ( 5.436 -0.627 23.406) 24.037 15.367 ( 10.517 -14.450 -12.523) 21.823 17.275 ( -15.879 -12.729 -12.921) 24.106 ======================= Grid point 268 (56/189) ======================= q-point: ( 0.36 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 34.996 -9.057 15.590) 39.367 3.989 ( 18.547 13.399 12.520) 26.082 4.200 ( 20.695 11.064 6.761) 24.422 5.408 ( -13.188 -5.001 24.706) 28.449 5.899 ( -0.019 3.581 27.041) 27.277 6.641 ( 6.345 -19.072 -5.801) 20.920 7.044 ( -23.409 -16.953 8.456) 30.115 7.427 ( -19.648 -31.936 -3.476) 37.657 9.273 ( 2.754 4.702 18.859) 19.630 9.359 ( 0.745 1.048 22.029) 22.066 10.008 ( 22.894 23.361 -21.667) 39.234 11.535 ( -18.000 25.464 -13.136) 33.837 12.407 ( -5.271 16.320 -5.989) 18.166 12.588 ( -7.399 7.347 0.692) 10.450 13.590 ( 5.985 -2.121 -1.290) 6.480 13.720 ( 2.621 -0.244 19.216) 19.396 15.665 ( 19.044 -21.283 -13.896) 31.760 16.926 ( -19.537 -15.347 -13.379) 28.217 ======================= Grid point 269 (57/189) ======================= q-point: ( 0.45 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.896 ( 27.873 -3.808 11.089) 30.239 4.191 ( -0.415 9.588 6.620) 11.659 4.589 ( 18.697 7.551 7.715) 21.590 4.997 ( -23.548 -4.088 15.630) 28.557 6.039 ( 13.901 -12.804 25.832) 32.008 6.444 ( -25.278 -24.031 21.610) 41.030 6.901 ( 9.890 -19.700 -5.070) 22.619 7.127 ( -12.605 -24.310 -8.047) 28.541 9.324 ( 2.243 3.216 20.749) 21.116 9.357 ( -0.996 1.908 21.713) 21.819 10.522 ( 28.439 32.580 -17.976) 46.834 11.080 ( -27.189 34.431 -15.424) 46.504 12.375 ( 1.752 9.724 -3.649) 10.533 12.454 ( -5.850 8.159 -2.073) 10.251 13.688 ( 3.834 -1.551 6.257) 7.500 13.735 ( -0.924 -0.653 13.023) 13.072 16.078 ( 22.315 -21.264 -14.083) 33.888 16.517 ( -21.949 -18.536 -13.810) 31.876 ======================= Grid point 278 (58/189) ======================= q-point: ( 0.27 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 12.812 12.812 23.165) 29.410 3.914 ( 21.078 21.078 22.605) 37.411 4.107 ( 16.406 16.406 0.600) 23.209 5.514 ( -0.714 -0.714 24.958) 24.978 6.008 ( -3.004 -3.004 29.025) 29.334 6.334 ( -7.468 -7.468 -7.154) 12.756 7.157 ( -14.916 -14.916 -12.794) 24.671 7.243 ( -35.378 -35.378 12.851) 51.657 9.304 ( 3.043 3.043 18.852) 19.336 9.349 ( 1.467 1.467 23.574) 23.665 10.012 ( 24.834 24.834 -22.016) 41.451 11.879 ( 2.686 2.686 -9.407) 10.145 12.767 ( -1.242 -1.242 9.948) 10.102 12.886 ( 8.813 8.813 -12.047) 17.334 13.481 ( 3.543 3.543 -15.175) 15.981 13.642 ( 2.085 2.085 23.139) 23.327 15.147 ( -5.585 -5.585 -13.149) 15.338 16.967 ( -18.471 -18.471 -11.446) 28.519 ======================= Grid point 279 (59/189) ======================= q-point: ( 0.36 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 28.487 -3.274 18.386) 34.063 4.306 ( 16.375 18.105 15.376) 28.850 4.451 ( 18.498 14.445 2.900) 23.648 5.261 ( -21.125 -12.155 19.597) 31.273 5.953 ( -6.234 2.237 19.235) 20.343 6.278 ( -1.575 -17.625 0.467) 17.702 6.571 ( -25.847 -29.321 17.202) 42.705 6.906 ( -11.792 -19.952 -12.429) 26.299 9.347 ( 1.661 2.879 21.485) 21.740 9.378 ( 1.102 0.866 23.787) 23.828 10.577 ( 31.383 32.749 -18.048) 48.817 11.891 ( -2.546 12.234 -10.486) 16.313 12.695 ( -5.301 5.009 7.775) 10.660 12.835 ( -10.354 21.576 -6.401) 24.773 13.577 ( 5.074 1.969 -11.742) 12.942 13.711 ( 3.085 -0.663 13.919) 14.273 15.217 ( 12.887 -22.743 -12.308) 28.893 16.559 ( -22.879 -21.807 -10.632) 33.347 ======================= Grid point 280 (60/189) ======================= q-point: ( 0.45 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 34.979 -10.096 12.648) 38.541 4.349 ( -18.951 2.808 7.768) 20.673 4.786 ( 12.950 12.081 8.529) 19.657 4.921 ( -6.672 -1.126 7.888) 10.393 5.820 ( -3.308 -8.738 20.564) 22.587 5.960 ( -17.809 -22.268 30.517) 41.765 6.523 ( 8.152 -18.866 -5.200) 21.199 6.700 ( -9.576 -19.890 -9.637) 24.087 9.374 ( 1.078 2.005 23.021) 23.133 9.387 ( -0.137 1.246 23.643) 23.677 11.196 ( 30.461 34.747 -15.437) 48.719 11.699 ( -18.601 27.162 -13.303) 35.507 12.603 ( -2.298 10.778 2.547) 11.311 12.646 ( -6.460 14.058 -0.035) 15.471 13.667 ( 3.955 -0.099 -3.127) 5.043 13.724 ( -1.523 -0.358 4.225) 4.506 15.595 ( 23.604 -27.367 -11.065) 37.796 16.083 ( -25.239 -25.277 -10.509) 37.234 ======================= Grid point 290 (61/189) ======================= q-point: ( 0.36 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 11.580 11.580 18.575) 24.763 4.636 ( 8.271 8.271 18.387) 21.792 4.759 ( 16.563 16.563 -5.855) 24.144 4.894 ( -18.353 -18.353 16.301) 30.649 5.922 ( -14.167 -14.167 41.089) 45.713 5.999 ( -9.110 -9.110 -4.021) 13.497 6.101 ( -9.948 -9.948 6.725) 15.593 6.572 ( -14.765 -14.765 -14.431) 25.382 9.388 ( 1.306 1.306 23.117) 23.191 9.394 ( 0.841 0.841 25.191) 25.219 11.239 ( 33.599 33.599 -15.200) 49.888 12.068 ( 6.250 6.250 -7.917) 11.866 12.749 ( 1.210 1.210 10.966) 11.098 13.098 ( 2.401 2.401 -4.435) 5.586 13.696 ( 6.569 6.569 -24.858) 26.537 13.697 ( 0.803 0.803 10.552) 10.613 14.884 ( -6.922 -6.922 -7.667) 12.435 16.083 ( -26.371 -26.371 -8.312) 38.210 ======================= Grid point 291 (62/189) ======================= q-point: ( 0.45 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( 26.589 -7.013 15.017) 31.331 4.173 ( -33.649 -18.654 10.367) 39.846 5.031 ( 12.777 13.416 19.538) 26.926 5.075 ( 11.163 14.604 -3.663) 18.743 5.639 ( -9.550 -10.783 39.745) 42.275 5.709 ( -13.699 -2.448 10.667) 17.534 6.159 ( 6.909 -18.257 -5.477) 20.274 6.327 ( -10.332 -18.223 -12.153) 24.218 9.404 ( 0.456 1.027 24.825) 24.850 9.406 ( 0.241 0.735 25.114) 25.126 11.830 ( 24.308 28.123 -12.187) 39.119 12.108 ( -4.074 14.559 -7.712) 16.972 12.791 ( 4.920 9.974 7.112) 13.201 12.976 ( -11.737 15.628 -0.559) 19.552 13.705 ( 1.450 3.357 -6.061) 7.079 13.747 ( -1.877 4.985 -15.439) 16.332 15.044 ( 20.702 -27.192 -5.154) 34.562 15.545 ( -27.837 -29.047 -6.488) 40.752 ======================= Grid point 302 (63/189) ======================= q-point: ( 0.45 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( 5.494 5.494 15.885) 17.683 3.781 ( -18.148 -18.148 13.621) 29.055 5.293 ( 11.632 11.632 33.431) 37.260 5.391 ( 15.456 15.456 -9.141) 23.692 5.483 ( -5.193 -5.193 48.041) 48.599 5.696 ( -4.953 -4.953 -1.648) 7.196 5.847 ( -7.109 -7.109 -8.816) 13.372 5.997 ( -14.604 -14.604 -15.487) 25.815 9.416 ( 0.276 0.276 25.979) 25.981 9.416 ( 0.271 0.271 25.721) 25.724 12.222 ( 10.915 10.915 -4.569) 16.098 12.285 ( 3.475 3.475 -2.140) 5.361 13.013 ( 11.465 11.465 2.160) 16.357 13.139 ( 0.293 0.293 -2.389) 2.425 13.793 ( 7.198 7.198 -16.107) 19.054 13.900 ( 2.988 2.988 -28.165) 28.480 14.676 ( -2.959 -2.959 5.356) 6.796 14.981 ( -26.627 -26.627 -0.643) 37.662 ======================= Grid point 363 (64/189) ======================= q-point: ( 0.00 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 0.000 0.000 41.719) 41.719 2.499 ( 0.000 0.000 41.719) 41.719 3.334 ( -0.000 -0.000 24.692) 24.692 4.704 ( 0.000 0.000 72.068) 72.068 6.508 ( 0.000 0.000 -11.219) 11.219 6.508 ( 0.000 0.000 -11.219) 11.219 8.085 ( -0.000 -0.000 55.744) 55.744 8.210 ( 0.000 0.000 -11.872) 11.872 9.440 ( 0.000 0.000 15.056) 15.056 9.440 ( 0.000 0.000 15.056) 15.056 11.542 ( 0.000 0.000 -20.388) 20.388 11.542 ( 0.000 0.000 -20.388) 20.388 12.225 ( 0.000 0.000 4.457) 4.457 12.668 ( 0.000 0.000 -3.256) 3.256 13.233 ( 0.000 0.000 -6.597) 6.597 13.233 ( -0.000 0.000 -6.597) 6.597 14.900 ( -0.000 -0.000 -5.417) 5.417 17.848 ( 0.000 0.000 -13.482) 13.482 ======================= Grid point 364 (65/189) ======================= q-point: ( 0.09 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 6.178 0.000 38.657) 39.148 2.680 ( 17.551 0.000 37.905) 41.771 3.388 ( 5.329 0.000 23.298) 23.900 4.894 ( 18.506 0.000 69.524) 71.945 6.499 ( -0.959 0.000 -10.941) 10.983 6.702 ( 18.319 0.000 -14.998) 23.675 7.961 ( -14.386 0.000 37.885) 40.524 8.130 ( -5.083 0.000 3.629) 6.246 9.441 ( 0.122 0.000 14.858) 14.859 9.511 ( 6.114 0.000 16.226) 17.339 11.274 ( -25.639 0.000 -13.202) 28.838 11.414 ( -12.198 0.000 -19.335) 22.861 12.133 ( -5.547 0.000 -4.834) 7.358 12.723 ( 3.053 0.000 -0.881) 3.177 13.203 ( -0.858 0.000 -8.082) 8.127 13.457 ( 17.800 0.000 -1.059) 17.831 14.991 ( 8.693 0.000 -6.367) 10.776 17.750 ( -9.537 0.000 -13.350) 16.407 ======================= Grid point 365 (66/189) ======================= q-point: ( 0.18 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 16.797 0.000 30.697) 34.992 3.130 ( 26.634 0.000 30.012) 40.126 3.536 ( 9.655 0.000 19.098) 21.399 5.377 ( 29.292 0.000 63.880) 70.276 6.466 ( -2.700 0.000 -9.360) 9.741 7.143 ( 24.678 0.000 -19.897) 31.700 7.571 ( -23.081 0.000 15.296) 27.689 8.027 ( -5.860 0.000 20.952) 21.756 9.446 ( 0.358 0.000 14.216) 14.221 9.634 ( 5.631 0.000 17.650) 18.527 10.655 ( -34.799 0.000 -8.544) 35.832 11.097 ( -19.468 0.000 -16.996) 25.844 12.055 ( -2.761 0.000 -10.532) 10.888 12.674 ( -8.141 0.000 0.260) 8.145 13.303 ( 11.167 0.000 -6.290) 12.817 13.794 ( 15.071 0.000 7.084) 16.653 15.213 ( 13.331 0.000 -8.990) 16.079 17.504 ( -14.812 0.000 -14.396) 20.655 ======================= Grid point 366 (67/189) ======================= q-point: ( 0.27 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 26.431 0.000 22.094) 34.449 3.657 ( 25.430 0.000 22.395) 33.885 3.762 ( 13.212 0.000 12.984) 18.523 5.989 ( 31.896 0.000 57.069) 65.377 6.352 ( -11.221 0.000 -3.024) 11.621 7.151 ( -16.204 0.000 1.963) 16.323 7.611 ( 21.835 0.000 -18.693) 28.743 7.897 ( -7.462 0.000 25.611) 26.676 9.449 ( -0.674 0.000 12.040) 12.059 9.715 ( 2.425 0.000 17.965) 18.128 9.984 ( -31.628 0.000 -9.103) 32.912 10.665 ( -24.295 0.000 -14.601) 28.345 12.016 ( -1.190 0.000 -10.470) 10.538 12.474 ( -10.877 0.000 -2.264) 11.110 13.570 ( 14.580 0.000 0.883) 14.607 14.029 ( 8.881 0.000 14.043) 16.616 15.497 ( 15.380 0.000 -12.843) 20.037 17.189 ( -16.913 0.000 -17.148) 24.085 ======================= Grid point 367 (68/189) ======================= q-point: ( 0.36 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 26.253 0.000 17.824) 31.732 4.065 ( 14.828 0.000 16.310) 22.043 4.070 ( 20.034 0.000 5.617) 20.806 5.950 ( -28.734 0.000 4.120) 29.028 6.588 ( 28.293 0.000 48.686) 56.310 7.056 ( 6.117 0.000 -6.865) 9.195 7.735 ( -8.911 0.000 28.529) 29.888 7.940 ( 9.043 0.000 -9.288) 12.963 9.300 ( -14.513 0.000 -10.187) 17.731 9.610 ( -3.126 0.000 5.953) 6.724 9.728 ( -1.105 0.000 18.124) 18.157 10.161 ( -26.530 0.000 -14.630) 30.296 12.010 ( 0.628 0.000 -8.978) 9.000 12.276 ( -8.880 0.000 -4.476) 9.945 13.840 ( 12.398 0.000 8.637) 15.110 14.144 ( 2.939 0.000 18.082) 18.319 15.811 ( 16.631 0.000 -17.071) 23.833 16.848 ( -17.766 0.000 -19.977) 26.734 ======================= Grid point 368 (69/189) ======================= q-point: ( 0.45 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( 10.979 0.000 13.487) 17.391 4.214 ( 0.585 0.000 12.670) 12.684 4.620 ( 33.959 0.000 3.843) 34.176 5.309 ( -35.032 0.000 4.384) 35.305 7.067 ( 19.759 0.000 37.324) 42.231 7.259 ( 6.306 0.000 5.668) 8.479 7.595 ( 0.342 0.000 22.003) 22.005 7.858 ( -15.950 0.000 0.474) 15.957 9.246 ( 11.302 0.000 -16.637) 20.113 9.610 ( -19.358 0.000 3.685) 19.706 9.637 ( 3.293 0.000 9.723) 10.265 9.723 ( -8.404 0.000 -4.007) 9.311 12.045 ( 3.011 0.000 -7.459) 8.043 12.131 ( -5.883 0.000 -6.085) 8.464 14.042 ( 7.944 0.000 15.024) 16.995 14.147 ( -2.642 0.000 18.422) 18.610 16.147 ( 17.558 0.000 -20.273) 26.819 16.497 ( -17.976 0.000 -21.292) 27.865 ======================= Grid point 375 (70/189) ======================= q-point: ( 0.09 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 4.603 4.603 38.730) 39.273 2.825 ( 14.593 14.593 33.241) 39.126 3.443 ( 5.386 5.386 22.040) 23.319 5.074 ( 17.413 17.413 66.717) 71.117 6.475 ( -1.717 -1.717 -10.964) 11.230 6.871 ( 14.994 14.994 -15.326) 26.164 7.926 ( -6.471 -6.471 49.317) 50.159 7.986 ( -10.274 -10.274 -11.951) 18.813 9.474 ( 1.380 1.380 15.309) 15.433 9.543 ( 4.255 4.255 16.790) 17.835 10.783 ( -31.563 -31.563 -9.913) 45.724 11.678 ( 6.721 6.721 -22.217) 24.164 11.990 ( -8.398 -8.398 -5.239) 12.981 12.812 ( 5.208 5.208 0.639) 7.393 13.235 ( 0.110 0.110 -6.690) 6.692 13.522 ( 9.752 9.752 0.025) 13.792 15.033 ( 4.222 4.222 -6.482) 8.813 17.664 ( -8.342 -8.342 -13.413) 17.863 ======================= Grid point 376 (71/189) ======================= q-point: ( 0.18 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 14.983 0.602 32.658) 35.936 3.216 ( 23.834 9.582 26.691) 37.044 3.592 ( 9.750 5.363 18.163) 21.301 5.517 ( 26.006 13.297 60.519) 67.199 6.437 ( -2.277 -2.760 -9.818) 10.450 7.160 ( 7.879 0.153 -3.266) 8.530 7.633 ( -12.729 4.185 -3.342) 13.810 7.917 ( -0.979 -7.750 21.777) 23.136 9.480 ( -0.476 2.374 13.964) 14.173 9.650 ( 5.436 1.846 18.396) 19.271 10.138 ( -32.771 -33.805 -6.395) 47.514 11.524 ( -17.021 24.230 -16.431) 33.864 11.982 ( 2.976 -5.041 -12.715) 13.998 12.800 ( -7.668 10.207 2.070) 12.933 13.281 ( 7.795 -2.217 -5.941) 10.048 13.795 ( 14.961 0.903 6.938) 16.516 15.157 ( 8.517 -5.092 -8.616) 13.142 17.443 ( -13.662 -6.106 -14.363) 20.742 ======================= Grid point 377 (72/189) ======================= q-point: ( 0.27 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 25.622 -2.714 23.994) 35.208 3.690 ( 22.010 5.300 19.058) 29.593 3.830 ( 15.221 5.851 13.397) 21.104 6.014 ( 20.864 2.696 47.826) 52.249 6.375 ( -3.716 1.617 1.706) 4.397 6.979 ( -15.822 -13.035 5.137) 21.134 7.608 ( 0.723 -9.184 -3.311) 9.789 7.982 ( 7.873 12.096 10.684) 17.957 9.381 ( -15.252 -14.884 -1.830) 21.390 9.636 ( -10.417 -10.851 5.873) 16.147 9.733 ( 2.699 1.662 18.534) 18.803 11.127 ( -23.166 30.533 -14.915) 41.126 12.018 ( 0.931 1.684 -12.159) 12.310 12.585 ( -12.248 10.190 -1.282) 15.984 13.508 ( 13.576 -6.007 0.003) 14.845 14.038 ( 9.097 0.786 14.738) 17.337 15.372 ( 13.438 -12.067 -13.433) 22.509 17.144 ( -16.612 -4.822 -16.380) 23.823 ======================= Grid point 378 (73/189) ======================= q-point: ( 0.36 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.735 ( 28.869 -2.831 18.785) 34.559 4.028 ( 14.712 1.811 9.974) 17.866 4.177 ( 17.341 6.752 9.284) 20.796 5.906 ( -26.848 -4.149 6.122) 27.848 6.567 ( 18.763 -2.356 42.005) 46.065 6.883 ( 6.838 -14.551 -4.139) 16.602 7.546 ( -5.722 -14.985 13.849) 21.191 8.006 ( -11.547 -4.946 12.094) 17.437 9.170 ( 3.611 1.065 -18.738) 19.113 9.609 ( 2.268 2.722 12.555) 13.045 9.755 ( -0.416 2.381 18.159) 18.319 10.623 ( -27.824 34.264 -14.867) 46.575 12.038 ( 1.525 3.495 -9.785) 10.502 12.361 ( -10.157 8.042 -4.291) 13.648 13.771 ( 12.621 -6.658 6.744) 15.783 14.144 ( 1.805 -0.345 18.600) 18.691 15.678 ( 17.452 -13.091 -17.682) 28.082 16.799 ( -18.462 -5.269 -18.467) 26.639 ======================= Grid point 379 (74/189) ======================= q-point: ( 0.45 0.09 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.150 ( 11.680 3.762 13.817) 18.479 4.241 ( 2.997 2.592 11.684) 12.338 4.608 ( 30.804 -0.867 2.036) 30.883 5.276 ( -34.834 -3.500 3.886) 35.225 6.950 ( 19.844 -13.656 30.095) 38.548 7.090 ( 9.050 -14.032 4.432) 17.275 7.418 ( -5.466 -13.768 20.195) 25.046 7.603 ( -23.184 -22.682 10.860) 34.204 9.490 ( 23.611 24.287 -11.302) 35.708 9.675 ( 4.588 4.900 8.677) 10.970 9.721 ( -2.883 3.601 17.289) 17.893 10.058 ( -28.951 32.674 -17.515) 47.038 12.089 ( 3.854 4.615 -7.901) 9.929 12.193 ( -6.916 6.112 -6.340) 11.197 13.986 ( 9.064 -5.479 13.051) 16.808 14.118 ( -4.223 -3.048 17.525) 18.283 16.042 ( 19.350 -10.462 -19.651) 29.496 16.425 ( -19.488 -7.347 -19.739) 28.695 ======================= Grid point 387 (75/189) ======================= q-point: ( 0.18 0.18 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 8.224 8.224 32.325) 34.353 3.505 ( 18.924 18.924 21.205) 34.145 3.737 ( 9.312 9.312 14.752) 19.775 5.841 ( 18.030 18.030 53.398) 59.173 6.368 ( -3.790 -3.790 -10.056) 11.395 7.081 ( -10.161 -10.161 20.469) 25.010 7.490 ( -14.315 -14.315 -12.297) 23.686 8.014 ( 13.587 13.587 8.641) 21.069 9.387 ( -20.142 -20.142 -3.830) 28.741 9.637 ( -6.775 -6.775 11.132) 14.687 9.710 ( 3.876 3.876 20.439) 21.162 11.740 ( -3.703 -3.703 -6.196) 8.112 12.033 ( 10.736 10.736 -25.809) 29.943 12.951 ( 1.738 1.738 6.721) 7.157 13.239 ( 0.032 0.032 -7.055) 7.055 13.876 ( 7.961 7.961 9.569) 14.776 15.057 ( -3.618 -3.618 -9.863) 11.112 17.268 ( -11.639 -11.639 -14.388) 21.862 ======================= Grid point 388 (76/189) ======================= q-point: ( 0.27 0.18 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 20.623 -0.659 26.839) 33.853 3.888 ( 16.685 14.083 13.863) 25.863 3.976 ( 16.984 9.163 11.225) 22.326 6.089 ( 0.292 4.342 30.143) 30.455 6.368 ( 8.660 -4.055 7.389) 12.085 6.730 ( -22.287 -11.181 15.233) 29.219 7.285 ( -6.889 -20.844 -4.800) 22.471 8.114 ( -10.608 -7.409 21.706) 25.270 9.131 ( 5.003 3.857 -20.124) 21.092 9.636 ( 2.221 3.702 15.022) 15.630 9.780 ( 2.854 2.935 21.456) 21.843 11.585 ( -11.353 13.403 -9.207) 19.832 12.170 ( 2.515 14.954 -21.980) 26.704 12.819 ( -12.327 12.151 2.891) 17.549 13.358 ( 10.739 -8.544 -2.671) 13.981 14.055 ( 7.768 1.062 16.737) 18.482 15.074 ( 6.738 -16.449 -15.371) 23.499 16.992 ( -16.376 -10.819 -14.621) 24.474 ======================= Grid point 389 (77/189) ======================= q-point: ( 0.36 0.18 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 29.347 -6.499 20.530) 36.400 4.152 ( 11.945 9.872 6.450) 16.785 4.340 ( 16.641 10.121 6.582) 20.559 5.797 ( -27.585 -7.125 8.449) 29.717 6.440 ( -3.294 -13.529 9.959) 17.119 6.626 ( 13.202 -7.729 21.260) 26.192 7.166 ( -6.028 -23.266 -0.255) 24.035 7.686 ( -26.809 -21.937 32.209) 47.301 9.512 ( 27.017 28.010 -15.471) 41.879 9.698 ( 4.718 6.425 11.262) 13.797 9.813 ( 0.427 3.295 21.199) 21.458 11.270 ( -21.364 28.804 -13.106) 38.182 12.185 ( 0.655 12.567 -14.485) 19.188 12.565 ( -12.252 12.142 -2.354) 17.409 13.599 ( 12.871 -10.405 2.351) 16.717 14.117 ( -1.505 -2.690 18.464) 18.720 15.335 ( 18.765 -20.676 -18.118) 33.285 16.632 ( -20.169 -11.884 -15.093) 27.853 ======================= Grid point 390 (78/189) ======================= q-point: ( 0.45 0.18 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.188 ( 22.158 -2.187 17.094) 28.070 4.335 ( 4.513 7.752 6.897) 11.315 4.623 ( 16.950 3.652 -2.093) 17.465 5.163 ( -33.797 -8.314 2.371) 34.885 6.558 ( 13.248 -22.207 7.542) 26.936 6.789 ( -1.628 -19.081 10.497) 21.838 7.055 ( -1.702 -19.828 12.083) 23.281 7.221 ( -17.296 -15.205 38.886) 45.194 9.745 ( 3.483 5.310 19.355) 20.370 9.798 ( -1.861 4.215 20.170) 20.690 10.141 ( 32.135 35.916 -18.492) 51.619 10.759 ( -29.809 36.430 -15.559) 49.576 12.232 ( 4.428 10.115 -9.490) 14.560 12.360 ( -8.563 10.530 -6.315) 14.970 13.837 ( 11.070 -9.435 8.006) 16.603 14.022 ( -7.517 -6.778 13.898) 17.192 15.756 ( 23.060 -18.095 -17.003) 33.887 16.209 ( -22.686 -14.546 -15.848) 31.263 ======================= Grid point 399 (79/189) ======================= q-point: ( 0.27 0.27 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 10.120 10.120 26.439) 30.064 4.153 ( 11.661 11.661 4.788) 17.172 4.240 ( 17.818 17.818 10.489) 27.294 6.111 ( -14.069 -14.069 26.580) 33.202 6.174 ( -6.073 -6.073 -8.154) 11.842 6.574 ( -4.599 -4.599 29.371) 30.082 6.901 ( -15.384 -15.384 -12.285) 24.985 7.737 ( -24.731 -24.731 35.361) 49.736 9.522 ( 28.830 28.830 -17.420) 44.337 9.719 ( 5.310 5.310 12.974) 14.991 9.838 ( 2.642 2.642 23.513) 23.808 11.714 ( 2.343 2.343 -6.211) 7.039 12.470 ( 10.952 10.952 -28.425) 32.371 12.972 ( -0.323 -0.323 9.952) 9.962 13.237 ( -0.072 -0.072 -8.257) 8.258 14.082 ( 0.926 0.926 19.495) 19.539 14.822 ( -6.073 -6.073 -18.334) 20.246 16.719 ( -16.982 -16.982 -12.756) 27.193 ======================= Grid point 400 (80/189) ======================= q-point: ( 0.36 0.27 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 22.709 -1.592 22.399) 31.936 4.380 ( 11.083 12.735 0.697) 16.897 4.577 ( 14.763 13.766 3.431) 20.475 5.575 ( -33.210 -17.918 8.937) 38.780 6.119 ( -2.433 -15.158 -3.770) 15.808 6.533 ( -2.280 -4.805 19.787) 20.490 6.714 ( -3.880 -19.634 4.359) 20.483 7.269 ( -21.540 -19.914 43.882) 52.784 9.778 ( 3.861 4.993 19.928) 20.904 9.875 ( 1.037 2.851 23.971) 24.162 10.192 ( 34.739 36.088 -19.140) 53.624 11.696 ( -5.462 15.206 -8.537) 18.274 12.530 ( -3.011 20.439 -23.346) 31.175 12.810 ( -12.100 11.842 2.756) 17.154 13.382 ( 11.748 -10.965 -3.937) 16.545 14.029 ( -6.755 -6.683 14.187) 17.075 14.931 ( 16.430 -18.093 -14.785) 28.564 16.333 ( -22.091 -18.451 -11.310) 30.926 ======================= Grid point 401 (81/189) ======================= q-point: ( 0.45 0.27 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( 29.961 -8.345 17.585) 35.729 4.510 ( -4.207 7.983 6.125) 10.907 4.764 ( 4.519 9.787 -4.352) 11.625 4.953 ( -23.854 -11.443 -2.172) 26.546 6.158 ( 7.492 -18.027 1.178) 19.557 6.376 ( -12.247 -20.115 -2.266) 23.658 6.755 ( 6.280 -12.011 33.150) 35.814 6.933 ( -12.484 -14.257 42.709) 46.724 9.841 ( 2.578 4.382 21.731) 22.318 9.876 ( -0.926 3.556 23.251) 23.539 10.868 ( 33.021 37.234 -16.496) 52.430 11.430 ( -22.343 30.943 -13.449) 40.467 12.487 ( 1.192 15.748 -12.802) 20.330 12.593 ( -8.942 12.823 -5.039) 16.425 13.627 ( 12.360 -11.740 0.538) 17.055 13.853 ( -10.525 -10.464 6.395) 16.161 15.361 ( 25.160 -21.190 -11.091) 34.714 15.864 ( -25.315 -20.255 -10.563) 34.098 ======================= Grid point 411 (82/189) ======================= q-point: ( 0.36 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 9.692 9.692 22.311) 26.185 4.635 ( 12.720 12.720 -5.283) 18.749 4.845 ( 10.981 10.981 1.111) 15.568 5.085 ( -28.173 -28.173 5.838) 40.268 5.904 ( -7.353 -7.353 -5.097) 11.580 6.305 ( -14.772 -14.772 -11.543) 23.867 6.547 ( -1.285 -1.285 38.824) 38.867 6.917 ( -15.510 -15.510 49.369) 54.022 9.860 ( 3.446 3.446 22.192) 22.721 9.919 ( 1.529 1.529 25.471) 25.563 10.912 ( 36.293 36.293 -16.879) 54.030 11.915 ( 7.570 7.570 -6.641) 12.599 12.843 ( 7.405 7.405 -26.559) 28.549 12.953 ( -0.242 -0.242 8.869) 8.876 13.241 ( 0.480 0.480 -13.099) 13.116 13.844 ( -11.611 -11.611 2.211) 16.569 14.743 ( 1.324 1.324 -4.546) 4.916 15.919 ( -23.397 -23.397 -7.656) 33.963 ======================= Grid point 412 (83/189) ======================= q-point: ( 0.45 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( 21.892 -5.058 19.219) 29.567 4.440 ( -29.452 -15.785 14.736) 36.520 4.895 ( 10.448 9.668 -10.000) 17.396 5.015 ( 0.390 12.602 -11.933) 17.360 5.853 ( 3.701 -13.311 -2.849) 14.107 6.034 ( -12.714 -15.193 -7.615) 21.224 6.565 ( 3.109 -7.242 43.031) 43.747 6.678 ( -8.762 -11.155 48.374) 50.410 9.912 ( 1.869 2.861 24.307) 24.547 9.933 ( -0.165 2.143 25.501) 25.591 11.569 ( 28.973 33.343 -13.996) 46.337 11.945 ( -7.337 21.261 -8.427) 24.019 12.819 ( -4.163 16.147 -17.462) 24.145 12.842 ( -6.558 12.012 -3.183) 14.050 13.397 ( 11.261 -10.802 -10.418) 18.762 13.618 ( -11.152 -13.118 -5.682) 18.131 14.975 ( 20.035 -16.405 -1.319) 25.928 15.436 ( -25.180 -22.736 -4.153) 34.179 ======================= Grid point 423 (84/189) ======================= q-point: ( 0.45 0.45 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.915 ( 4.746 4.746 19.917) 21.018 4.112 ( -14.788 -14.788 17.858) 27.501 5.125 ( 11.394 11.394 -15.324) 22.237 5.222 ( 4.986 4.986 -18.900) 20.172 5.656 ( -4.126 -4.126 -2.195) 6.234 5.765 ( -11.942 -11.942 -7.364) 18.424 6.479 ( -1.373 -1.373 49.129) 49.168 6.515 ( -5.142 -5.142 51.389) 51.901 9.952 ( 1.176 1.176 25.986) 26.039 9.959 ( 0.503 0.503 26.417) 26.427 12.117 ( 19.829 19.829 -6.686) 28.828 12.239 ( 7.001 7.001 -2.108) 10.123 12.996 ( 2.893 2.893 -6.492) 7.674 13.020 ( 1.833 1.833 -16.592) 16.794 13.279 ( 1.038 1.038 -24.758) 24.801 13.384 ( -8.882 -8.882 -19.213) 22.955 14.806 ( 1.091 1.091 6.794) 6.967 15.016 ( -18.318 -18.318 3.242) 26.108 ======================= Grid point 484 (85/189) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( -0.000 0.000 42.366) 42.366 3.356 ( 0.000 -0.000 42.366) 42.366 3.870 ( 0.000 0.000 27.511) 27.511 6.122 ( 0.000 0.000 66.794) 66.794 6.282 ( 0.000 -0.000 -10.765) 10.765 6.282 ( 0.000 0.000 -10.765) 10.765 7.930 ( 0.000 0.000 -15.488) 15.488 9.240 ( -0.000 0.000 56.186) 56.186 9.627 ( 0.000 0.000 0.176) 0.176 9.627 ( 0.000 0.000 0.176) 0.176 11.164 ( 0.000 0.000 -13.636) 13.636 11.164 ( 0.000 0.000 -13.636) 13.636 12.327 ( 0.000 0.000 5.456) 5.456 12.561 ( 0.000 0.000 -7.431) 7.431 13.104 ( 0.000 0.000 -5.988) 5.988 13.104 ( 0.000 -0.000 -5.988) 5.988 14.795 ( 0.000 0.000 -4.522) 4.522 17.525 ( 0.000 0.000 -18.215) 18.215 ======================= Grid point 485 (86/189) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 0.173 0.000 39.089) 39.090 3.475 ( 11.715 0.000 39.902) 41.586 3.905 ( 3.171 0.000 27.241) 27.425 6.272 ( 14.921 0.000 64.944) 66.636 6.275 ( -0.682 0.000 -10.731) 10.752 6.422 ( 13.487 0.000 -12.274) 18.236 7.808 ( -12.348 0.000 -15.119) 19.520 9.058 ( -13.671 0.000 44.358) 46.417 9.621 ( -0.604 0.000 -0.356) 0.702 9.763 ( 9.168 0.000 9.076) 12.901 11.003 ( -16.998 0.000 -9.839) 19.640 11.069 ( -9.080 0.000 -11.309) 14.503 12.086 ( -15.309 0.000 -0.259) 15.311 12.675 ( 9.442 0.000 -4.313) 10.381 13.036 ( -4.960 0.000 -7.750) 9.201 13.422 ( 24.000 0.000 -1.962) 24.080 14.867 ( 6.848 0.000 -5.431) 8.740 17.432 ( -9.234 0.000 -17.830) 20.079 ======================= Grid point 486 (87/189) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( 7.325 0.000 31.298) 32.144 3.785 ( 18.786 0.000 33.861) 38.723 3.984 ( 4.825 0.000 24.834) 25.299 6.256 ( -1.325 0.000 -10.489) 10.572 6.658 ( 22.027 0.000 56.087) 60.258 6.784 ( 23.546 0.000 -10.551) 25.802 7.466 ( -21.469 0.000 -13.023) 25.110 8.791 ( -12.962 0.000 36.152) 38.405 9.597 ( -2.246 0.000 -2.860) 3.636 9.901 ( 4.295 0.000 7.917) 9.007 10.520 ( -29.889 0.000 -1.862) 29.947 10.835 ( -14.232 0.000 -4.941) 15.065 11.883 ( -5.586 0.000 -5.847) 8.086 12.692 ( -9.678 0.000 1.960) 9.874 13.139 ( 17.293 0.000 -10.057) 20.005 13.882 ( 21.437 0.000 2.309) 21.561 15.038 ( 10.002 0.000 -7.783) 12.673 17.180 ( -15.977 0.000 -17.538) 23.724 ======================= Grid point 487 (88/189) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 17.655 0.000 21.350) 27.705 4.097 ( 6.820 0.000 20.475) 21.581 4.160 ( 17.978 0.000 26.519) 32.038 6.201 ( -6.108 0.000 -9.524) 11.314 7.041 ( -18.527 0.000 -9.708) 20.916 7.064 ( 19.097 0.000 23.917) 30.606 7.333 ( 30.780 0.000 15.231) 34.342 8.554 ( -11.385 0.000 29.454) 31.578 9.464 ( -15.537 0.000 -11.867) 19.551 9.917 ( -2.996 0.000 0.012) 2.996 9.981 ( -19.224 0.000 8.962) 21.210 10.527 ( -16.627 0.000 5.695) 17.575 11.831 ( -0.451 0.000 -6.956) 6.971 12.454 ( -12.827 0.000 0.771) 12.850 13.550 ( 22.610 0.000 -3.190) 22.834 14.238 ( 14.595 0.000 6.990) 16.182 15.244 ( 10.754 0.000 -11.436) 15.698 16.826 ( -19.619 0.000 -18.598) 27.033 ======================= Grid point 488 (89/189) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( 26.467 0.000 12.052) 29.082 4.248 ( 8.283 0.000 15.671) 17.725 4.434 ( 8.886 0.000 19.428) 21.363 5.900 ( -25.142 0.000 -6.824) 26.052 6.915 ( 7.253 0.000 -6.554) 9.775 7.395 ( 14.029 0.000 11.889) 18.389 7.915 ( 25.514 0.000 24.168) 35.144 8.341 ( -10.273 0.000 24.201) 26.291 8.996 ( -24.359 0.000 -15.229) 28.727 9.757 ( -14.185 0.000 -9.249) 16.934 9.835 ( 0.058 0.000 11.137) 11.137 10.220 ( -13.497 0.000 17.493) 22.095 11.850 ( 2.298 0.000 -5.899) 6.331 12.220 ( -10.712 0.000 -0.559) 10.727 13.981 ( 20.459 0.000 4.603) 20.970 14.446 ( 6.413 0.000 11.558) 13.218 15.461 ( 11.647 0.000 -16.553) 20.240 16.428 ( -20.483 0.000 -21.041) 29.365 ======================= Grid point 489 (90/189) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( 7.228 0.000 14.361) 16.077 4.500 ( -1.633 0.000 14.798) 14.888 4.672 ( 31.740 0.000 2.911) 31.874 5.312 ( -32.600 0.000 -2.621) 32.705 7.228 ( 21.114 0.000 -3.580) 21.415 7.538 ( -3.786 0.000 3.095) 4.889 8.106 ( -3.610 0.000 22.130) 22.423 8.157 ( -7.902 0.000 21.165) 22.592 8.905 ( 18.023 0.000 -8.062) 19.744 9.367 ( -24.105 0.000 -6.381) 24.935 9.890 ( 4.826 0.000 11.967) 12.904 10.015 ( -7.953 0.000 16.088) 17.946 11.919 ( 4.764 0.000 -4.163) 6.327 12.040 ( -7.609 0.000 -2.291) 7.947 14.319 ( 13.214 0.000 11.706) 17.653 14.481 ( -3.108 0.000 14.119) 14.457 15.715 ( 14.601 0.000 -21.654) 26.116 16.041 ( -18.553 0.000 -23.123) 29.646 ======================= Grid point 496 (91/189) ======================= q-point: ( 0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 1.282 1.282 37.915) 37.959 3.531 ( 8.275 8.275 35.826) 37.689 3.946 ( 3.629 3.629 27.337) 27.814 6.255 ( -1.378 -1.378 -10.356) 10.538 6.409 ( 12.897 12.897 62.711) 65.310 6.566 ( 14.043 14.043 -13.040) 23.758 7.709 ( -10.170 -10.170 -15.155) 20.893 8.860 ( -15.588 -15.588 34.245) 40.727 9.728 ( 1.799 1.799 12.491) 12.747 9.779 ( 6.609 6.609 3.247) 9.895 10.643 ( -23.380 -23.380 -0.936) 33.078 11.244 ( 4.079 4.079 -17.196) 18.138 11.928 ( -10.776 -10.776 -0.870) 15.264 12.784 ( 8.806 8.806 -3.918) 13.056 13.107 ( 0.142 0.142 -5.868) 5.872 13.490 ( 11.864 11.864 -2.047) 16.903 14.909 ( 3.844 3.844 -5.407) 7.667 17.349 ( -8.244 -8.244 -17.556) 21.075 ======================= Grid point 497 (92/189) ======================= q-point: ( 0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( 6.205 1.589 31.077) 31.730 3.791 ( 16.393 2.938 29.449) 33.832 4.037 ( 5.854 4.273 25.906) 26.901 6.224 ( -1.882 -2.517 -9.618) 10.118 6.719 ( 17.220 5.376 42.553) 46.219 6.944 ( 22.458 14.949 1.711) 27.033 7.417 ( -18.075 -5.360 -13.806) 23.367 8.563 ( -13.335 -18.451 23.792) 32.929 9.674 ( -6.668 2.028 8.123) 10.703 9.930 ( 5.473 3.836 6.836) 9.560 10.161 ( -23.045 -21.605 9.037) 32.856 11.167 ( -11.320 20.077 -15.184) 27.600 11.801 ( -1.851 -6.997 -4.581) 8.566 12.837 ( -9.507 12.335 1.757) 15.673 13.146 ( 12.730 0.413 -7.749) 14.909 13.858 ( 21.527 -1.215 0.208) 21.562 15.000 ( 5.231 -3.652 -6.355) 9.005 17.122 ( -14.533 -5.869 -17.321) 23.359 ======================= Grid point 498 (93/189) ======================= q-point: ( 0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( 16.396 -0.669 21.304) 26.891 4.084 ( 11.058 1.321 20.439) 23.276 4.212 ( 13.101 3.553 23.997) 27.570 6.165 ( -5.600 -3.146 -8.545) 10.690 6.905 ( -15.555 -8.548 -7.546) 19.286 7.087 ( 12.506 0.303 28.607) 31.223 7.494 ( 22.347 7.912 9.697) 25.613 8.375 ( -4.302 -10.355 13.013) 17.178 9.349 ( -25.688 -14.075 8.336) 30.455 9.875 ( -3.814 -0.749 12.063) 12.673 10.003 ( -0.118 6.048 3.986) 7.245 10.862 ( -18.683 25.421 -7.180) 32.355 11.809 ( 1.804 -1.799 -7.087) 7.531 12.571 ( -14.823 11.162 0.249) 18.557 13.493 ( 20.068 -5.511 -1.859) 20.894 14.246 ( 16.679 0.734 5.748) 17.657 15.116 ( 7.026 -12.351 -10.746) 17.815 16.795 ( -18.428 -3.409 -17.926) 25.933 ======================= Grid point 499 (94/189) ======================= q-point: ( 0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( 25.360 -3.129 10.506) 27.628 4.266 ( 8.933 2.800 16.978) 19.388 4.450 ( 8.530 1.595 17.099) 19.175 5.877 ( -25.140 -2.229 -6.017) 25.946 6.729 ( 3.420 -15.270 -6.014) 16.764 7.339 ( 8.588 -8.346 13.849) 18.308 7.768 ( 4.769 -16.780 22.007) 28.083 8.470 ( 8.065 15.363 19.008) 25.737 8.867 ( -14.372 -7.672 -0.316) 16.295 9.871 ( 1.616 3.811 10.527) 11.311 9.942 ( -6.317 12.990 -4.751) 15.206 10.466 ( -20.590 23.419 5.465) 31.658 11.860 ( 3.440 1.173 -6.557) 7.497 12.298 ( -12.482 7.842 -1.323) 14.801 13.887 ( 19.311 -8.870 4.166) 21.655 14.464 ( 4.777 1.118 12.658) 13.576 15.307 ( 13.088 -14.766 -17.973) 26.690 16.412 ( -20.338 -2.224 -19.324) 28.143 ======================= Grid point 500 (95/189) ======================= q-point: ( 0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.418 ( 7.537 1.084 10.559) 13.018 4.514 ( -1.380 1.416 13.323) 13.469 4.645 ( 31.006 -2.378 5.143) 31.519 5.283 ( -32.882 -2.918 -1.477) 33.044 6.965 ( 17.432 -21.756 -5.162) 28.352 7.294 ( -12.876 -23.710 -2.535) 27.099 7.908 ( 12.359 -8.791 30.736) 34.274 8.228 ( -19.488 -3.629 33.042) 38.532 9.151 ( 27.333 24.294 -12.211) 38.554 9.658 ( -21.573 23.036 -15.207) 35.033 9.964 ( 5.911 7.553 13.688) 16.714 10.130 ( -12.103 12.140 17.272) 24.335 11.948 ( 5.686 3.014 -5.020) 8.162 12.089 ( -8.838 5.023 -3.196) 10.657 14.225 ( 14.568 -9.005 9.863) 19.764 14.438 ( -6.727 -4.900 13.602) 15.946 15.623 ( 18.473 -8.691 -21.000) 29.288 16.009 ( -20.474 -3.650 -20.730) 29.364 ======================= Grid point 508 (96/189) ======================= q-point: ( 0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 3.918 3.918 28.083) 28.624 3.946 ( 12.081 12.081 22.410) 28.180 4.132 ( 5.640 5.640 24.864) 26.112 6.170 ( -3.051 -3.051 -9.164) 10.129 6.848 ( 6.758 6.758 30.020) 31.505 7.221 ( -13.949 -13.949 -14.030) 24.208 7.257 ( 11.386 11.386 16.451) 23.020 8.282 ( -4.129 -4.129 6.589) 8.804 9.464 ( -21.985 -21.985 17.970) 35.911 9.916 ( -2.913 -2.913 12.929) 13.570 10.052 ( 6.566 6.566 10.501) 14.018 11.476 ( 7.522 7.522 -25.813) 27.919 11.669 ( -3.022 -3.022 -0.267) 4.282 13.075 ( 5.004 5.004 5.095) 8.720 13.112 ( 0.075 0.075 -5.506) 5.507 13.933 ( 11.310 11.310 -3.333) 16.339 14.907 ( -5.498 -5.498 -4.242) 8.856 16.952 ( -11.405 -11.405 -16.803) 23.291 ======================= Grid point 509 (97/189) ======================= q-point: ( 0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.634 ( 12.787 -0.354 20.716) 24.347 4.189 ( 10.311 8.953 16.441) 21.372 4.287 ( 11.110 4.207 20.485) 23.680 6.095 ( -5.507 -3.838 -7.755) 10.256 6.731 ( -23.561 -9.688 -2.686) 25.617 7.024 ( 1.068 -11.436 10.356) 15.465 7.381 ( 3.165 -12.536 25.898) 28.946 8.506 ( 22.739 22.414 0.251) 31.930 8.995 ( -23.070 -19.156 21.901) 37.133 9.917 ( 1.999 3.847 11.563) 12.349 10.149 ( 2.963 7.500 12.228) 14.647 11.355 ( -13.683 22.818 -15.304) 30.694 11.775 ( 7.487 -1.488 -11.375) 13.699 12.847 ( -16.412 15.700 0.184) 22.712 13.351 ( 14.790 -8.627 1.501) 17.188 14.268 ( 19.306 1.962 1.858) 19.494 14.806 ( -3.503 -17.787 -8.018) 19.823 16.679 ( -16.325 -8.755 -16.233) 24.631 ======================= Grid point 510 (98/189) ======================= q-point: ( 0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( 21.984 -4.994 10.490) 24.865 4.366 ( 9.107 6.901 16.017) 19.675 4.498 ( 7.960 3.418 10.772) 13.824 5.813 ( -26.435 -4.355 -3.627) 27.036 6.404 ( -3.358 -17.293 -3.590) 17.978 6.966 ( -7.724 -27.638 -2.291) 28.789 7.505 ( 9.855 -7.554 35.088) 37.220 8.478 ( -21.860 -13.261 40.629) 48.004 9.130 ( 31.096 30.978 -15.754) 46.635 9.981 ( 4.265 7.126 11.554) 14.229 10.168 ( -0.856 9.751 10.720) 14.517 11.010 ( -21.367 28.938 -10.539) 37.484 11.904 ( 6.219 3.457 -10.587) 12.756 12.515 ( -16.298 13.839 -2.044) 21.479 13.666 ( 16.793 -12.974 3.703) 21.541 14.450 ( -3.924 -4.092 14.004) 15.108 14.945 ( 19.893 -19.653 -19.598) 34.147 16.317 ( -20.407 -7.876 -15.801) 26.985 ======================= Grid point 511 (99/189) ======================= q-point: ( 0.45 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( 15.606 -3.162 -0.371) 15.928 4.554 ( -1.203 2.622 8.945) 9.399 4.620 ( 20.872 1.140 11.821) 24.014 5.196 ( -33.001 -5.950 2.921) 33.660 6.511 ( 10.998 -22.892 -4.414) 25.778 6.757 ( -12.635 -28.128 -5.556) 31.333 7.746 ( 14.397 -8.155 38.557) 41.958 8.071 ( -18.841 -10.554 40.655) 46.035 9.729 ( 26.685 31.180 -17.541) 44.632 10.030 ( -3.903 13.747 0.391) 14.295 10.180 ( 7.411 13.663 15.235) 21.765 10.538 ( -25.140 28.777 0.073) 38.212 12.040 ( 8.084 6.341 -7.929) 12.978 12.235 ( -12.054 9.726 -5.066) 16.296 13.989 ( 15.715 -14.544 6.385) 22.344 14.269 ( -12.467 -12.653 9.626) 20.204 15.408 ( 24.875 -12.387 -16.505) 32.320 15.885 ( -23.435 -9.074 -15.706) 29.635 ======================= Grid point 520 (100/189) ======================= q-point: ( 0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( 6.699 6.699 17.463) 19.867 4.376 ( 6.713 6.713 19.342) 21.547 4.406 ( 10.411 10.411 6.880) 16.252 6.014 ( -4.857 -4.857 -7.287) 10.014 6.417 ( -27.263 -27.263 6.911) 39.170 6.656 ( -14.527 -14.527 -11.695) 23.640 7.315 ( 2.778 2.778 38.439) 38.639 8.561 ( -19.129 -19.129 41.770) 49.765 9.130 ( 32.870 32.870 -16.244) 49.241 10.012 ( 5.700 5.700 12.408) 14.796 10.268 ( 4.406 4.406 17.054) 18.157 11.649 ( 1.816 1.816 0.340) 2.590 11.803 ( 8.609 8.609 -34.419) 36.509 13.110 ( -0.169 -0.169 -4.936) 4.941 13.173 ( 0.369 0.369 9.945) 9.959 14.370 ( 9.587 9.587 -8.412) 15.956 14.474 ( -14.725 -14.725 1.662) 20.890 16.447 ( -14.920 -14.920 -14.078) 25.366 ======================= Grid point 521 (101/189) ======================= q-point: ( 0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( 16.437 -0.763 10.699) 19.627 4.512 ( 7.698 7.417 15.293) 18.658 4.589 ( 6.372 5.699 -0.733) 8.580 5.686 ( -32.235 -10.268 3.371) 33.999 6.045 ( -2.536 -18.568 -1.768) 18.823 6.443 ( -9.627 -22.429 -8.315) 25.785 7.417 ( 7.213 -2.220 39.884) 40.592 8.186 ( -18.355 -15.266 43.555) 49.669 9.797 ( 32.491 34.423 -18.083) 50.671 10.144 ( 8.518 10.066 15.131) 20.071 10.322 ( 1.526 6.018 18.145) 19.178 11.519 ( -13.002 21.712 -11.324) 27.726 11.996 ( 9.258 5.710 -23.017) 25.457 12.817 ( -18.637 16.019 -1.383) 24.615 13.399 ( 13.192 -13.974 4.083) 19.646 14.198 ( -12.850 -21.602 -0.859) 25.150 14.695 ( 21.523 -3.904 -4.922) 22.421 16.098 ( -20.380 -14.332 -11.860) 27.593 ======================= Grid point 522 (102/189) ======================= q-point: ( 0.45 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( 21.734 -6.105 -0.707) 22.586 4.603 ( -5.561 1.424 -4.615) 7.366 4.691 ( 10.751 5.334 12.070) 17.021 5.061 ( -28.169 -6.988 13.025) 31.812 6.096 ( 6.251 -19.133 -3.503) 20.431 6.256 ( -9.329 -22.163 -5.931) 24.767 7.596 ( 11.148 -6.718 42.186) 44.148 7.855 ( -15.180 -10.879 43.948) 47.752 10.181 ( 7.596 12.627 5.303) 15.661 10.271 ( -1.814 10.273 12.405) 16.208 10.585 ( 29.549 30.325 -4.689) 42.600 11.143 ( -24.961 30.944 -13.760) 42.070 12.191 ( 11.362 8.571 -13.404) 19.551 12.461 ( -16.406 12.958 -6.600) 21.924 13.671 ( 14.218 -17.506 2.998) 22.751 13.943 ( -13.419 -20.166 1.916) 24.299 15.166 ( 25.370 -11.600 -7.695) 28.938 15.658 ( -24.198 -13.797 -9.752) 29.513 ======================= Grid point 532 (103/189) ======================= q-point: ( 0.36 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( 7.587 7.587 8.846) 13.906 4.656 ( 7.524 7.524 11.980) 16.024 4.679 ( 1.506 1.506 -12.776) 12.953 5.338 ( -22.593 -22.593 17.124) 36.251 5.800 ( -5.745 -5.745 -4.844) 9.459 6.105 ( -13.209 -13.209 -7.939) 20.298 7.413 ( 1.943 1.943 42.453) 42.542 7.899 ( -13.642 -13.642 45.543) 49.461 10.230 ( 9.031 9.031 8.883) 15.557 10.402 ( 2.447 2.447 20.762) 21.049 10.581 ( 33.885 33.885 -10.740) 49.109 11.822 ( 7.357 7.357 -1.816) 10.562 12.111 ( 6.660 6.660 -40.311) 41.397 13.100 ( -0.312 -0.312 -4.295) 4.318 13.111 ( -4.071 -4.071 6.748) 8.870 13.769 ( -18.424 -18.424 -8.408) 27.379 14.734 ( 7.313 7.313 3.013) 10.772 15.765 ( -19.283 -19.283 -7.753) 28.351 ======================= Grid point 533 (104/189) ======================= q-point: ( 0.45 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.212 ( 15.940 -2.657 2.699) 16.384 4.549 ( -15.288 -7.715 -11.198) 20.461 4.811 ( 8.092 6.705 9.189) 13.960 4.986 ( -11.410 0.190 16.601) 20.145 5.776 ( 2.835 -13.047 -3.418) 13.782 5.893 ( -8.624 -15.051 -5.246) 18.123 7.495 ( 6.357 -3.399 44.613) 45.192 7.661 ( -10.478 -8.608 45.876) 47.838 10.356 ( 4.532 6.428 17.414) 19.108 10.412 ( -1.218 4.643 20.338) 20.897 11.236 ( 30.742 33.629 -18.235) 49.076 11.720 ( -16.854 27.774 -16.491) 36.433 12.335 ( 16.034 4.332 -22.248) 27.764 12.712 ( -21.460 11.064 -7.784) 25.368 13.323 ( 10.070 -17.435 0.021) 20.134 13.512 ( -9.732 -22.080 -4.344) 24.518 14.979 ( 17.078 -6.803 1.036) 18.412 15.363 ( -20.987 -15.598 -3.401) 26.369 ======================= Grid point 544 (105/189) ======================= q-point: ( 0.45 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.222 ( 3.918 3.918 3.513) 6.561 4.360 ( -9.530 -9.530 -1.222) 13.533 4.941 ( 5.940 5.940 4.820) 9.685 5.007 ( -0.204 -0.204 6.454) 6.461 5.609 ( -3.154 -3.154 -2.370) 5.051 5.664 ( -8.042 -8.042 -3.212) 11.818 7.469 ( 0.790 0.790 46.149) 46.163 7.526 ( -5.005 -5.005 46.624) 47.158 10.445 ( 2.750 2.750 21.362) 21.713 10.464 ( 0.787 0.787 22.303) 22.330 11.850 ( 27.711 27.711 -22.402) 45.140 12.217 ( 10.901 10.901 0.493) 15.425 12.296 ( 2.489 2.489 -43.313) 43.456 12.718 ( -17.053 -17.053 -13.034) 27.413 13.090 ( -0.157 -0.157 -3.840) 3.847 13.193 ( -9.306 -9.306 -2.724) 13.439 14.931 ( 2.577 2.577 5.017) 6.201 15.081 ( -12.069 -12.069 2.495) 17.250 ======================= Grid point 605 (106/189) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.226 ( 0.000 0.000 42.846) 42.846 4.226 ( 0.000 0.000 42.846) 42.846 4.445 ( 0.000 0.000 28.711) 28.711 6.075 ( 0.000 0.000 -9.401) 9.401 6.075 ( -0.000 -0.000 -9.401) 9.401 7.421 ( 0.000 0.000 60.467) 60.467 7.580 ( 0.000 0.000 -18.837) 18.837 9.360 ( -0.000 0.000 -25.509) 25.509 9.360 ( 0.000 0.000 -25.509) 25.509 10.321 ( -0.000 -0.000 48.222) 48.222 11.076 ( 0.000 -0.000 4.257) 4.257 11.076 ( -0.000 -0.000 4.257) 4.257 12.366 ( 0.000 0.000 -11.261) 11.261 12.443 ( -0.000 -0.000 5.753) 5.753 12.989 ( 0.000 0.000 -5.275) 5.275 12.989 ( 0.000 0.000 -5.275) 5.275 14.733 ( -0.000 -0.000 -1.101) 1.101 17.106 ( -0.000 -0.000 -22.848) 22.848 ======================= Grid point 606 (107/189) ======================= q-point: ( 0.09 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.129 ( -6.907 0.000 36.818) 37.460 4.301 ( 7.437 0.000 40.934) 41.604 4.502 ( 3.458 0.000 31.651) 31.839 6.069 ( -0.596 0.000 -9.347) 9.366 6.184 ( 10.813 0.000 -10.436) 15.028 7.465 ( -11.404 0.000 -18.393) 21.641 7.548 ( 12.464 0.000 59.385) 60.679 9.265 ( -9.016 0.000 -21.078) 22.925 9.345 ( -1.556 0.000 -25.430) 25.477 10.298 ( -2.838 0.000 39.982) 40.083 10.973 ( -11.288 0.000 6.118) 12.839 11.034 ( -3.931 0.000 6.589) 7.673 12.101 ( -20.912 0.000 1.249) 20.949 12.520 ( 15.024 0.000 -11.188) 18.732 12.922 ( -6.542 0.000 -2.557) 7.024 13.386 ( 27.549 0.000 -1.482) 27.589 14.784 ( 4.944 0.000 -2.269) 5.440 17.022 ( -8.442 0.000 -22.362) 23.902 ======================= Grid point 607 (108/189) ======================= q-point: ( 0.18 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.028 ( -2.361 0.000 28.805) 28.901 4.497 ( 11.750 0.000 35.622) 37.510 4.552 ( 1.903 0.000 30.749) 30.808 6.053 ( -1.088 0.000 -9.231) 9.295 6.474 ( 17.873 0.000 -12.914) 22.050 7.161 ( -18.443 0.000 -16.351) 24.648 7.880 ( 20.452 0.000 56.169) 59.776 9.039 ( -13.352 0.000 -14.769) 19.910 9.287 ( -5.083 0.000 -24.855) 25.370 10.197 ( -7.469 0.000 25.121) 26.208 10.623 ( -22.760 0.000 9.999) 24.860 10.934 ( -6.070 0.000 11.589) 13.082 11.814 ( -7.970 0.000 -1.324) 8.079 12.742 ( -10.369 0.000 -1.804) 10.525 12.922 ( 23.953 0.000 -5.832) 24.653 13.908 ( 24.664 0.000 0.566) 24.670 14.908 ( 7.189 0.000 -4.694) 8.585 16.784 ( -15.558 0.000 -21.356) 26.422 ======================= Grid point 608 (109/189) ======================= q-point: ( 0.27 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.062 ( 6.168 0.000 18.794) 19.780 4.595 ( 2.959 0.000 27.603) 27.761 4.719 ( 9.624 0.000 27.706) 29.330 6.001 ( -6.061 0.000 -9.772) 11.499 6.822 ( -12.567 0.000 -10.716) 16.516 6.852 ( 19.903 0.000 -15.131) 25.001 8.310 ( 22.101 0.000 48.639) 53.425 8.759 ( -14.909 0.000 -12.083) 19.191 9.105 ( -14.424 0.000 -19.562) 24.305 10.014 ( -10.855 0.000 14.468) 18.087 10.204 ( -16.611 0.000 11.319) 20.101 10.794 ( -8.413 0.000 16.287) 18.332 11.747 ( -0.028 0.000 -1.430) 1.430 12.510 ( -12.531 0.000 4.081) 13.178 13.447 ( 28.427 0.000 -5.861) 29.025 14.334 ( 18.485 0.000 2.811) 18.698 15.049 ( 6.812 0.000 -7.403) 10.060 16.425 ( -20.621 0.000 -20.816) 29.300 ======================= Grid point 609 (110/189) ======================= q-point: ( 0.36 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.268 ( 14.379 0.000 7.726) 16.324 4.682 ( 6.243 0.000 24.088) 24.884 4.833 ( 1.478 0.000 18.881) 18.938 5.729 ( -21.240 0.000 -9.000) 23.068 6.807 ( 11.314 0.000 -3.424) 11.821 7.226 ( 17.373 0.000 -14.986) 22.943 8.462 ( -15.110 0.000 -12.829) 19.821 8.530 ( -14.118 0.000 -1.625) 14.211 8.903 ( 9.544 0.000 29.004) 30.534 9.783 ( -12.434 0.000 11.102) 16.670 10.038 ( -0.708 0.000 9.818) 9.844 10.600 ( -11.329 0.000 19.527) 22.575 11.787 ( 3.837 0.000 -0.327) 3.851 12.267 ( -11.915 0.000 5.135) 12.974 14.007 ( 27.978 0.000 -2.244) 28.068 14.622 ( 10.561 0.000 5.950) 12.122 15.169 ( 5.575 0.000 -11.294) 12.595 15.992 ( -22.973 0.000 -21.715) 31.612 ======================= Grid point 610 (111/189) ======================= q-point: ( 0.45 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.577 ( 14.806 0.000 2.274) 14.980 4.782 ( -6.355 0.000 11.181) 12.861 4.868 ( 14.255 0.000 16.779) 22.017 5.262 ( -24.079 0.000 -0.311) 24.081 7.166 ( 21.900 0.000 -2.176) 22.008 7.449 ( 0.310 0.000 -8.759) 8.765 8.137 ( -13.128 0.000 -13.813) 19.056 8.184 ( -12.133 0.000 -15.312) 19.537 9.227 ( 16.965 0.000 28.347) 33.035 9.527 ( -13.892 0.000 15.915) 21.125 10.133 ( 9.248 0.000 14.157) 16.910 10.359 ( -12.754 0.000 19.404) 23.220 11.892 ( 6.809 0.000 1.508) 6.974 12.054 ( -9.664 0.000 3.711) 10.352 14.498 ( 20.236 0.000 5.059) 20.859 14.720 ( -1.896 0.000 9.430) 9.619 15.291 ( 8.296 0.000 -18.770) 20.522 15.561 ( -19.404 0.000 -23.779) 30.691 ======================= Grid point 617 (112/189) ======================= q-point: ( 0.09 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( -4.030 -4.030 33.287) 33.771 4.279 ( 2.636 2.636 37.329) 37.515 4.570 ( 4.545 4.545 34.112) 34.712 6.060 ( -0.812 -0.812 -8.632) 8.708 6.298 ( 11.145 11.145 -11.744) 19.656 7.370 ( -9.554 -9.554 -18.002) 22.508 7.660 ( 10.951 10.951 57.956) 59.990 8.956 ( -18.441 -18.441 -19.131) 32.345 9.556 ( 8.827 8.827 -24.909) 27.862 10.265 ( -3.313 -3.313 35.204) 35.515 10.767 ( -15.446 -15.446 11.030) 24.471 11.101 ( 1.283 1.283 3.072) 3.568 11.950 ( -10.945 -10.945 2.812) 15.732 12.640 ( 11.921 11.921 -9.985) 19.594 12.995 ( 0.299 0.299 -5.108) 5.125 13.475 ( 12.399 12.399 1.223) 17.577 14.824 ( 3.623 3.623 -2.605) 5.748 16.946 ( -7.600 -7.600 -21.948) 24.439 ======================= Grid point 618 (113/189) ======================= q-point: ( 0.18 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( -2.823 -1.276 26.568) 26.748 4.403 ( 7.926 -3.188 30.458) 31.633 4.657 ( 4.810 5.420 34.210) 34.969 6.038 ( -1.377 -1.324 -8.113) 8.334 6.586 ( 16.756 10.594 -13.214) 23.825 7.105 ( -16.317 -5.806 -16.129) 23.666 7.946 ( 16.850 5.710 51.603) 54.584 8.610 ( -15.702 -25.245 -12.957) 32.431 9.649 ( 0.406 19.816 -22.700) 30.135 10.169 ( -6.468 -2.698 24.222) 25.216 10.405 ( -20.149 -16.549 13.973) 29.582 11.066 ( -4.578 8.045 5.292) 10.663 11.785 ( -5.027 -2.507 2.494) 6.146 12.861 ( -11.270 10.334 -3.574) 15.703 12.969 ( 20.532 4.995 -5.328) 21.792 13.848 ( 22.482 -4.967 -0.083) 23.024 14.904 ( 3.980 -0.613 -3.098) 5.081 16.732 ( -14.058 -5.314 -21.039) 25.856 ======================= Grid point 619 (114/189) ======================= q-point: ( 0.27 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( 5.078 -2.492 17.236) 18.140 4.541 ( 5.891 -3.075 23.591) 24.509 4.772 ( 6.364 3.623 29.951) 30.833 5.987 ( -5.512 -1.423 -8.398) 10.146 6.699 ( -11.459 -6.164 -10.687) 16.838 7.012 ( 15.051 8.048 -12.971) 21.437 8.138 ( -5.060 -22.932 4.602) 23.930 8.504 ( 12.189 -0.968 29.048) 31.516 9.524 ( -15.186 22.976 -13.363) 30.611 9.994 ( -11.035 -3.406 14.660) 18.662 10.100 ( -7.634 -4.544 9.136) 12.744 10.936 ( -8.434 11.214 11.501) 18.143 11.746 ( 0.558 -0.158 0.533) 0.788 12.599 ( -14.375 8.887 1.943) 17.012 13.427 ( 25.140 -1.733 -3.981) 25.512 14.288 ( 21.484 -5.047 -0.813) 22.084 14.962 ( 1.720 -7.889 -4.182) 9.093 16.407 ( -18.725 -2.190 -20.281) 27.690 ======================= Grid point 620 (115/189) ======================= q-point: ( 0.36 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.222 ( 13.052 -4.632 6.623) 15.352 4.650 ( 5.490 -2.642 17.893) 18.902 4.862 ( 2.362 2.640 22.831) 23.104 5.730 ( -20.630 0.044 -7.374) 21.908 6.622 ( 6.373 -13.805 -3.717) 15.653 7.284 ( 7.389 -5.154 -9.237) 12.903 7.988 ( -2.889 -14.304 -11.124) 18.349 8.869 ( 20.208 4.865 33.396) 39.336 9.093 ( -25.736 18.979 -2.146) 32.049 9.784 ( -11.313 2.088 3.802) 12.116 10.078 ( 4.420 5.699 9.760) 12.135 10.739 ( -11.552 12.048 16.892) 23.747 11.794 ( 4.123 0.616 -0.023) 4.169 12.321 ( -13.506 5.662 3.531) 15.064 13.925 ( 24.843 -7.762 -0.652) 26.035 14.650 ( 12.923 2.259 4.608) 13.905 14.988 ( 3.044 -17.184 -11.508) 20.904 16.011 ( -21.226 0.810 -20.013) 29.184 ======================= Grid point 621 (116/189) ======================= q-point: ( 0.45 0.09 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.509 ( 14.296 -6.457 0.225) 15.688 4.699 ( -3.572 -6.124 6.478) 9.604 4.942 ( 10.038 5.030 18.947) 22.023 5.281 ( -22.481 1.727 2.870) 22.730 6.873 ( 16.717 -21.522 -3.407) 27.464 7.195 ( -13.838 -25.023 -5.824) 29.182 8.157 ( 17.959 12.437 -8.258) 23.354 8.588 ( -24.700 18.563 -2.849) 31.029 9.239 ( 17.073 3.732 18.924) 25.759 9.539 ( -13.750 3.588 6.875) 15.786 10.240 ( 11.345 10.288 15.282) 21.635 10.491 ( -13.403 11.901 18.871) 26.027 11.906 ( 7.312 1.439 0.944) 7.511 12.082 ( -10.667 3.008 2.622) 11.389 14.370 ( 19.704 -11.638 3.851) 23.206 14.665 ( -9.441 -7.605 8.369) 14.732 15.207 ( 17.541 -5.944 -18.953) 26.500 15.592 ( -21.012 1.336 -19.769) 28.881 ======================= Grid point 629 (117/189) ======================= q-point: ( 0.18 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( -2.600 -2.600 21.288) 21.604 4.420 ( 4.128 4.128 23.884) 24.587 4.750 ( 4.528 4.528 34.472) 35.061 6.004 ( -2.107 -2.107 -6.713) 7.344 6.830 ( 11.525 11.525 -10.927) 19.623 6.922 ( -12.487 -12.487 -15.054) 23.205 7.932 ( -11.674 -11.674 8.410) 18.529 8.360 ( 6.208 6.208 26.160) 27.594 9.956 ( 10.674 10.674 -22.678) 27.243 10.025 ( -16.669 -16.669 29.952) 38.116 10.141 ( -4.243 -4.243 10.155) 11.795 11.173 ( 2.333 2.333 -0.955) 3.435 11.738 ( -1.708 -1.708 6.736) 7.156 13.009 ( 0.361 0.361 -4.656) 4.684 13.126 ( 10.872 10.872 -1.712) 15.471 13.823 ( 6.414 6.414 -3.994) 9.911 14.875 ( -2.587 -2.587 0.313) 3.672 16.576 ( -10.477 -10.477 -20.138) 25.001 ======================= Grid point 630 (118/189) ======================= q-point: ( 0.27 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.969 ( 2.982 -3.999 13.482) 14.375 4.518 ( 4.987 0.598 15.787) 16.567 4.843 ( 4.839 3.802 31.865) 32.454 5.947 ( -4.672 -2.513 -6.134) 8.110 6.579 ( -18.651 -6.309 -9.018) 21.656 6.986 ( 0.368 -15.946 -6.533) 17.236 7.786 ( 2.132 -4.650 -3.087) 5.975 8.641 ( 18.219 12.105 26.960) 34.718 9.644 ( -20.113 -10.075 30.266) 37.710 10.078 ( -0.983 11.374 -13.527) 17.700 10.129 ( 4.547 7.701 2.982) 9.428 11.149 ( -4.755 9.479 1.296) 10.684 11.737 ( 1.754 -0.775 4.644) 5.025 12.834 ( -15.457 13.686 -1.596) 20.707 13.393 ( 16.040 -1.449 1.756) 16.201 14.127 ( 21.734 -10.771 -11.081) 26.668 14.796 ( -5.537 -7.728 4.141) 10.369 16.323 ( -15.225 -6.687 -18.761) 25.069 ======================= Grid point 631 (119/189) ======================= q-point: ( 0.36 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( 10.453 -6.789 3.930) 13.069 4.594 ( 2.232 -3.000 7.138) 8.058 4.929 ( 3.942 4.029 27.157) 27.735 5.728 ( -18.903 -0.310 -3.746) 19.273 6.351 ( -1.585 -13.429 -0.907) 13.553 6.876 ( -9.511 -29.245 -4.574) 31.091 7.991 ( 15.913 6.583 4.903) 17.905 8.972 ( 9.156 4.885 8.919) 13.683 9.286 ( -10.675 4.339 30.413) 32.523 9.987 ( -7.962 17.252 -17.214) 25.639 10.266 ( 9.403 12.466 8.911) 17.978 10.999 ( -10.108 13.356 9.581) 19.296 11.807 ( 5.353 0.569 0.692) 5.427 12.496 ( -17.615 12.117 0.202) 21.381 13.734 ( 18.182 -10.943 2.700) 21.392 14.540 ( 9.565 -25.605 -16.692) 32.026 14.704 ( 5.821 1.369 8.253) 10.192 15.984 ( -19.259 -4.160 -16.976) 26.007 ======================= Grid point 632 (120/189) ======================= q-point: ( 0.45 0.18 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( 13.514 -9.024 -3.784) 16.685 4.562 ( -6.514 -7.701 -2.307) 10.347 5.041 ( 9.158 5.011 21.858) 24.223 5.322 ( -19.202 2.313 9.025) 21.343 6.452 ( 9.416 -20.578 -0.594) 22.637 6.664 ( -11.417 -26.830 -2.789) 29.291 8.346 ( 19.663 4.276 14.954) 25.071 8.743 ( -20.188 -1.428 20.764) 28.996 9.467 ( 16.719 19.103 -4.158) 25.724 9.772 ( -13.670 20.022 -16.811) 29.501 10.495 ( 13.403 14.594 16.322) 25.672 10.765 ( -13.429 14.922 16.300) 25.859 11.949 ( 9.351 3.029 -0.643) 9.850 12.179 ( -14.132 7.104 -0.083) 15.817 14.084 ( 17.023 -16.853 2.700) 24.106 14.387 ( -13.471 -20.079 1.160) 24.207 15.115 ( 24.130 -3.590 -11.147) 26.822 15.574 ( -22.351 -3.435 -14.692) 26.967 ======================= Grid point 641 (121/189) ======================= q-point: ( 0.27 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.921 ( 0.014 0.014 7.585) 7.585 4.539 ( 0.834 0.834 6.144) 6.256 4.925 ( 4.477 4.477 31.503) 32.133 5.888 ( -3.821 -3.821 -4.667) 7.140 6.434 ( -12.017 -12.017 -9.384) 19.413 6.513 ( -22.619 -22.619 3.841) 32.217 7.883 ( 9.725 9.725 10.874) 17.533 8.921 ( 13.376 13.376 3.896) 19.313 9.421 ( -8.510 -8.510 37.171) 39.071 10.233 ( 8.297 8.297 10.648) 15.845 10.345 ( 8.742 8.742 -17.313) 21.273 11.279 ( 2.986 2.986 -8.817) 9.776 11.732 ( 1.135 1.135 7.299) 7.473 13.020 ( 0.173 0.173 -4.064) 4.071 13.382 ( 1.816 1.816 10.227) 10.544 13.962 ( -2.647 -2.647 -20.868) 21.201 14.689 ( -2.591 -2.591 9.776) 10.441 16.137 ( -12.381 -12.381 -16.452) 24.026 ======================= Grid point 642 (122/189) ======================= q-point: ( 0.36 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.989 ( 6.928 -4.042 -0.286) 8.026 4.525 ( -2.922 -4.387 -3.752) 6.470 5.016 ( 4.873 4.722 28.465) 29.262 5.720 ( -16.319 -0.335 0.061) 16.322 6.089 ( -8.228 -14.348 6.014) 17.599 6.321 ( -7.157 -24.528 -1.931) 25.623 8.098 ( 11.932 4.308 23.202) 26.443 8.923 ( -11.861 -8.733 22.960) 27.278 9.536 ( 18.195 20.795 -0.979) 27.648 10.345 ( -0.450 18.088 -7.457) 19.570 10.511 ( 11.527 11.140 5.548) 16.963 11.242 ( -6.555 11.048 -4.713) 13.684 11.814 ( 7.469 0.282 2.181) 7.786 12.778 ( -20.315 15.690 -2.144) 25.757 13.514 ( 10.042 -11.652 6.904) 16.860 13.993 ( 1.226 -28.130 -15.316) 32.053 14.742 ( 9.471 2.355 5.878) 11.393 15.841 ( -17.558 -10.287 -13.515) 24.429 ======================= Grid point 643 (123/189) ======================= q-point: ( 0.45 0.27 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.180 ( 11.752 -7.835 -8.054) 16.259 4.402 ( -9.609 -8.457 -10.470) 16.537 5.137 ( 8.294 4.764 23.718) 25.575 5.369 ( -15.780 2.538 14.739) 21.741 6.079 ( 3.871 -17.434 3.459) 18.190 6.186 ( -6.482 -21.207 0.559) 22.182 8.352 ( 13.989 -1.989 29.719) 32.907 8.641 ( -15.240 -7.194 31.113) 35.384 9.919 ( 18.568 25.130 -20.384) 37.307 10.220 ( -11.418 23.143 -20.470) 32.939 10.780 ( 14.572 14.017 15.363) 25.394 11.050 ( -12.363 13.931 7.882) 20.225 12.023 ( 13.971 4.377 -2.513) 14.854 12.362 ( -20.226 11.266 -2.671) 23.306 13.729 ( 11.174 -18.938 2.548) 22.136 13.923 ( -7.738 -26.023 -3.718) 27.402 15.049 ( 19.975 -3.272 -3.992) 20.631 15.460 ( -20.862 -7.900 -9.778) 24.356 ======================= Grid point 653 (124/189) ======================= q-point: ( 0.36 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( 1.910 1.910 -5.959) 6.543 4.411 ( -7.381 -7.381 -12.753) 16.480 5.112 ( 5.173 5.173 27.142) 28.110 5.715 ( -4.714 -4.714 -3.378) 7.473 5.748 ( -13.432 -13.432 22.908) 29.760 5.999 ( -10.039 -10.039 -0.967) 14.230 8.185 ( 5.195 5.195 31.508) 32.353 8.716 ( -11.391 -11.391 32.559) 36.326 9.987 ( 23.109 23.109 -20.816) 38.747 10.621 ( 5.245 5.245 -9.159) 11.786 10.731 ( 15.580 15.580 15.732) 27.074 11.397 ( 2.798 2.798 -19.354) 19.754 11.854 ( 6.057 6.057 4.848) 9.843 13.022 ( -0.031 -0.031 -3.531) 3.531 13.234 ( -11.333 -11.333 4.851) 16.746 13.571 ( -11.577 -11.577 -9.083) 18.723 14.816 ( 5.946 5.946 4.142) 9.374 15.591 ( -14.838 -14.838 -9.525) 23.045 ======================= Grid point 654 (125/189) ======================= q-point: ( 0.45 0.36 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.062 ( 7.617 -3.825 -12.081) 14.785 4.239 ( -9.663 -7.898 -15.742) 20.089 5.230 ( 7.415 4.902 24.211) 25.791 5.423 ( -12.674 2.938 19.795) 23.688 5.764 ( 3.131 -14.403 6.071) 15.941 5.850 ( -5.764 -13.207 3.278) 14.778 8.314 ( 8.048 -1.218 34.653) 35.596 8.498 ( -10.508 -6.950 35.143) 37.333 10.384 ( 16.241 20.625 -20.917) 33.566 10.603 ( -6.106 14.314 -11.389) 19.284 11.051 ( 15.577 14.346 6.944) 22.286 11.313 ( -10.182 12.687 -10.748) 19.498 12.114 ( 19.919 4.910 -1.232) 20.552 12.592 ( -27.437 10.680 -3.364) 29.634 13.329 ( 7.577 -23.125 -0.028) 24.335 13.444 ( -4.616 -19.416 -2.195) 20.077 14.995 ( 12.343 -1.822 0.221) 12.478 15.281 ( -16.016 -9.784 -4.867) 19.389 ======================= Grid point 665 (126/189) ======================= q-point: ( 0.45 0.45 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 1.234 1.234 -15.461) 15.559 4.105 ( -5.486 -5.486 -17.173) 18.845 5.337 ( 6.198 6.198 24.346) 25.876 5.458 ( -2.824 -2.824 31.313) 31.567 5.563 ( -2.369 -2.369 -2.084) 3.945 5.648 ( -7.760 -7.760 5.266) 12.172 8.317 ( 1.690 1.690 36.373) 36.452 8.381 ( -4.743 -4.743 36.551) 37.161 10.682 ( 9.349 9.349 -8.767) 15.864 10.756 ( 1.670 1.670 -3.099) 3.897 11.337 ( 13.317 13.317 -14.379) 23.695 11.479 ( 1.189 1.189 -26.871) 26.924 12.269 ( 13.373 13.373 4.544) 19.451 12.610 ( -14.910 -14.910 0.869) 21.103 13.020 ( -0.048 -0.048 -3.227) 3.228 13.161 ( -10.814 -10.814 -1.052) 15.330 14.998 ( 2.603 2.603 1.502) 3.976 15.102 ( -7.757 -7.757 -0.577) 10.985 ======================= Grid point 726 (127/189) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.033 ( -0.000 -0.000 28.787) 28.787 5.101 ( 0.000 0.000 42.898) 42.898 5.101 ( -0.000 0.000 42.898) 42.898 5.905 ( 0.000 0.000 -7.047) 7.047 5.905 ( -0.000 -0.000 -7.047) 7.047 7.164 ( 0.000 0.000 -21.849) 21.849 8.583 ( 0.000 0.000 53.321) 53.321 8.691 ( 0.000 0.000 -37.742) 37.742 8.691 ( 0.000 -0.000 -37.742) 37.742 11.084 ( -0.000 -0.000 20.996) 20.996 11.238 ( 0.000 0.000 9.484) 9.484 11.238 ( 0.000 0.000 9.484) 9.484 12.176 ( 0.000 0.000 -2.951) 2.951 12.553 ( 0.000 0.000 4.726) 4.726 12.890 ( 0.000 0.000 -4.331) 4.331 12.890 ( 0.000 -0.000 -4.331) 4.331 14.776 ( -0.000 -0.000 6.038) 6.038 16.598 ( -0.000 -0.000 -26.808) 26.808 ======================= Grid point 727 (128/189) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.824 ( -12.952 0.000 31.216) 33.797 5.138 ( 3.501 0.000 40.844) 40.994 5.206 ( 2.964 0.000 36.788) 36.907 5.901 ( -0.456 0.000 -6.957) 6.972 6.004 ( 9.789 0.000 -6.651) 11.835 7.064 ( -9.783 0.000 -20.729) 22.922 8.593 ( -0.131 0.000 2.498) 2.502 8.636 ( -5.424 0.000 -36.638) 37.038 8.785 ( 10.256 0.000 13.090) 16.630 10.970 ( -10.992 0.000 21.195) 23.876 11.161 ( -8.921 0.000 10.440) 13.733 11.232 ( -1.028 0.000 10.622) 10.671 12.122 ( -23.869 0.000 0.624) 23.877 12.253 ( 7.811 0.000 -12.954) 15.127 12.949 ( 5.544 0.000 5.370) 7.719 13.363 ( 29.437 0.000 -0.897) 29.450 14.797 ( 2.187 0.000 4.240) 4.770 16.524 ( -7.444 0.000 -26.283) 27.317 ======================= Grid point 728 (129/189) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.587 ( -10.441 0.000 26.163) 28.170 5.212 ( -1.379 0.000 32.775) 32.804 5.218 ( 3.882 0.000 34.228) 34.448 5.885 ( -1.429 0.000 -7.156) 7.298 6.260 ( 15.470 0.000 -7.120) 17.030 6.823 ( -13.053 0.000 -15.838) 20.523 8.488 ( -9.439 0.000 -33.929) 35.218 8.564 ( -2.974 0.000 -24.192) 24.374 9.069 ( 17.455 0.000 39.955) 43.601 10.682 ( -17.434 0.000 17.905) 24.991 10.851 ( -21.603 0.000 11.401) 24.427 11.194 ( -2.816 0.000 12.270) 12.589 11.806 ( -8.046 0.000 -0.016) 8.046 12.440 ( 8.871 0.000 -21.110) 22.898 13.105 ( 11.202 0.000 17.168) 20.499 13.910 ( 25.812 0.000 -0.336) 25.814 14.860 ( 4.042 0.000 0.373) 4.059 16.311 ( -14.167 0.000 -24.894) 28.643 ======================= Grid point 729 (130/189) ======================= q-point: ( 0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( -4.103 0.000 18.430) 18.881 5.183 ( -1.039 0.000 28.854) 28.872 5.251 ( -1.450 0.000 22.695) 22.741 5.807 ( -7.879 0.000 -9.044) 11.994 6.586 ( 17.306 0.000 -9.945) 19.960 6.653 ( -1.355 0.000 -4.121) 4.338 8.274 ( -12.250 0.000 -30.545) 32.910 8.459 ( -8.441 0.000 -26.846) 28.142 9.412 ( 15.439 0.000 41.866) 44.622 10.324 ( -18.198 0.000 11.791) 21.684 10.439 ( -16.504 0.000 12.515) 20.713 11.121 ( -4.658 0.000 14.946) 15.655 11.751 ( 1.041 0.000 1.176) 1.570 12.514 ( -2.003 0.000 -7.573) 7.834 13.431 ( 21.974 0.000 8.036) 23.398 14.362 ( 20.083 0.000 0.032) 20.083 14.945 ( 4.300 0.000 -2.778) 5.119 15.976 ( -19.705 0.000 -23.092) 30.357 ======================= Grid point 730 (131/189) ======================= q-point: ( 0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( 4.176 0.000 9.139) 10.047 5.138 ( -10.316 0.000 7.791) 12.928 5.187 ( 1.696 0.000 24.715) 24.773 5.589 ( -12.202 0.000 -1.873) 12.345 6.800 ( 14.801 0.000 3.314) 15.167 6.925 ( 16.902 0.000 -13.267) 21.487 8.015 ( -13.783 0.000 -27.018) 30.331 8.209 ( -17.026 0.000 -20.295) 26.491 9.587 ( 2.378 0.000 24.729) 24.843 9.994 ( -15.020 0.000 6.668) 16.434 10.340 ( 6.928 0.000 23.239) 24.250 11.006 ( -7.284 0.000 19.124) 20.465 11.819 ( 5.648 0.000 2.875) 6.337 12.390 ( -9.546 0.000 4.784) 10.678 13.926 ( 27.415 0.000 -3.432) 27.629 14.693 ( 13.538 0.000 0.877) 13.566 15.013 ( 2.213 0.000 -4.389) 4.915 15.547 ( -23.745 0.000 -21.559) 32.072 ======================= Grid point 731 (132/189) ======================= q-point: ( 0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.599 ( 11.754 0.000 0.841) 11.784 4.873 ( -15.189 0.000 -1.882) 15.305 5.253 ( 5.058 0.000 19.690) 20.329 5.385 ( -8.443 0.000 11.942) 14.625 7.145 ( 16.999 0.000 -0.057) 16.999 7.217 ( 10.659 0.000 -13.259) 17.012 7.763 ( -9.836 0.000 -22.705) 24.744 7.838 ( -17.564 0.000 -13.672) 22.258 9.621 ( 3.415 0.000 9.045) 9.668 9.749 ( -9.686 0.000 4.843) 10.829 10.578 ( 14.010 0.000 28.571) 31.820 10.828 ( -10.984 0.000 24.579) 26.922 11.968 ( 9.379 0.000 5.493) 10.869 12.176 ( -11.419 0.000 7.562) 13.696 14.474 ( 27.751 0.000 -8.011) 28.884 14.870 ( 0.560 0.000 5.410) 5.439 15.021 ( -1.430 0.000 -6.372) 6.530 15.077 ( -19.930 0.000 -23.430) 30.760 ======================= Grid point 738 (133/189) ======================= q-point: ( 0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.732 ( -9.102 -9.102 28.056) 30.867 5.045 ( -2.713 -2.713 37.469) 37.665 5.316 ( 4.794 4.794 37.461) 38.070 5.918 ( 0.564 0.564 -4.388) 4.460 6.092 ( 9.638 9.638 -8.254) 15.934 6.983 ( -8.046 -8.046 -19.668) 22.723 8.331 ( -14.787 -14.787 -28.073) 35.006 8.835 ( 9.461 9.461 46.363) 48.255 8.882 ( 8.550 8.550 -38.412) 40.270 10.848 ( -12.655 -12.655 18.061) 25.426 11.023 ( -10.955 -10.955 13.168) 20.333 11.256 ( 0.897 0.897 9.505) 9.589 11.984 ( -7.101 -7.101 -3.483) 10.629 12.454 ( 10.573 10.573 -3.828) 15.434 12.900 ( 0.458 0.458 -4.187) 4.236 13.553 ( 15.456 15.456 6.356) 22.764 14.819 ( 2.177 2.177 2.790) 4.154 16.458 ( -6.725 -6.725 -25.821) 27.517 ======================= Grid point 739 (134/189) ======================= q-point: ( 0.18 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( -10.024 -5.980 23.327) 26.084 5.026 ( -0.364 -8.175 30.090) 31.183 5.374 ( 1.486 5.768 33.633) 34.156 5.912 ( -1.243 1.863 -3.182) 3.891 6.353 ( 15.458 9.550 -8.901) 20.233 6.777 ( -11.180 -4.770 -15.009) 19.313 8.053 ( -13.226 -23.431 -27.018) 38.130 8.950 ( 2.078 18.849 -21.611) 28.751 9.116 ( 14.214 4.482 30.528) 33.972 10.530 ( -17.055 -12.865 10.275) 23.706 10.766 ( -15.646 -6.885 18.547) 25.223 11.254 ( -1.275 3.653 10.489) 11.180 11.857 ( -5.581 3.482 2.599) 7.073 12.583 ( 3.003 14.186 -17.606) 22.809 13.055 ( 14.178 -4.715 8.296) 17.090 13.894 ( 18.663 -1.257 5.369) 19.460 14.875 ( 3.139 1.288 0.392) 3.416 16.265 ( -12.738 -4.632 -24.568) 28.059 ======================= Grid point 740 (135/189) ======================= q-point: ( 0.27 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.380 ( -4.542 -5.991 16.294) 17.945 5.008 ( -1.707 -10.191 21.060) 23.459 5.376 ( -1.378 5.831 26.897) 27.556 5.838 ( -7.628 2.418 -5.681) 9.814 6.527 ( -0.304 -3.528 -4.008) 5.348 6.771 ( 15.136 8.394 -9.470) 19.729 7.813 ( -11.188 -24.928 -22.474) 35.379 8.914 ( -6.276 25.527 -33.430) 42.527 9.365 ( 9.176 -4.684 35.941) 37.388 10.287 ( -5.315 -1.621 11.291) 12.584 10.418 ( -18.611 -2.917 18.898) 26.684 11.201 ( -4.143 6.380 12.868) 14.948 11.793 ( -0.565 3.902 2.956) 4.927 12.567 ( -4.790 5.848 -8.052) 11.044 13.414 ( 21.761 -1.600 5.347) 22.466 14.265 ( 18.720 -9.610 -0.137) 21.043 14.925 ( 1.435 -1.802 -0.180) 2.311 15.967 ( -17.386 -1.252 -22.761) 28.669 ======================= Grid point 741 (136/189) ======================= q-point: ( 0.36 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.366 ( 3.341 -7.121 7.686) 10.997 4.938 ( -6.326 -12.051 8.762) 16.187 5.330 ( -2.303 6.809 21.496) 22.666 5.626 ( -11.854 3.242 -1.126) 12.341 6.611 ( 9.223 -10.695 3.576) 14.568 7.081 ( 11.622 1.388 -9.540) 15.100 7.650 ( -2.539 -10.696 -18.356) 21.396 8.683 ( -17.179 27.254 -29.182) 43.468 9.465 ( 3.023 -9.104 19.073) 21.350 10.038 ( -17.378 0.837 12.348) 21.335 10.392 ( 11.957 6.346 24.023) 27.574 11.091 ( -7.131 7.723 16.669) 19.706 11.835 ( 4.722 1.639 3.301) 5.989 12.410 ( -10.543 2.352 3.304) 11.297 13.879 ( 24.839 -4.581 -2.305) 25.363 14.611 ( 16.090 -10.731 -5.978) 20.243 14.910 ( -3.392 -6.127 1.742) 7.217 15.599 ( -19.598 3.311 -20.204) 28.341 ======================= Grid point 742 (137/189) ======================= q-point: ( 0.45 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.506 ( 10.471 -8.826 0.082) 13.694 4.744 ( -12.534 -11.089 -1.594) 16.811 5.329 ( 2.667 5.896 18.222) 19.337 5.432 ( -7.620 4.140 10.980) 13.991 6.841 ( 13.088 -17.437 0.621) 21.811 7.079 ( -9.509 -19.997 -5.178) 22.740 7.842 ( 19.589 19.179 -18.199) 32.905 8.277 ( -22.886 25.726 -21.831) 40.770 9.554 ( 6.823 -4.969 8.626) 12.069 9.742 ( -12.435 -1.463 7.944) 14.829 10.668 ( 14.304 8.596 26.158) 31.028 10.917 ( -10.802 8.352 21.864) 25.778 11.973 ( 9.177 0.596 5.108) 10.520 12.183 ( -11.795 0.879 6.554) 13.522 14.356 ( 22.832 -10.789 -5.498) 25.844 14.721 ( -12.402 -17.758 -6.568) 22.634 14.936 ( 13.107 2.362 -3.702) 13.823 15.230 ( -17.065 6.091 -14.600) 23.269 ======================= Grid point 750 (138/189) ======================= q-point: ( 0.18 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.371 ( -9.003 -9.003 17.899) 21.965 4.908 ( -4.337 -4.337 23.585) 24.369 5.447 ( 2.050 2.050 29.512) 29.655 5.930 ( -0.418 -0.418 1.697) 1.797 6.608 ( 14.039 14.039 -9.964) 22.214 6.634 ( -8.677 -8.677 -11.312) 16.689 7.653 ( -15.728 -15.728 -20.806) 30.458 9.195 ( 5.107 5.107 40.416) 41.056 9.268 ( 10.317 10.317 -40.427) 42.980 10.305 ( -7.438 -7.438 9.563) 14.217 10.587 ( -11.412 -11.412 21.621) 26.980 11.304 ( 1.483 1.483 9.615) 9.841 11.893 ( -0.069 -0.069 6.052) 6.053 12.922 ( 0.618 0.618 -3.823) 3.921 12.962 ( 13.473 13.473 -12.733) 22.917 13.893 ( 2.218 2.218 11.301) 11.728 14.896 ( 0.495 0.495 1.436) 1.598 16.130 ( -9.089 -9.089 -23.515) 26.799 ======================= Grid point 751 (139/189) ======================= q-point: ( 0.27 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.221 ( -5.429 -9.383 11.447) 15.766 4.825 ( -4.839 -8.621 13.851) 17.017 5.461 ( -0.576 2.921 23.785) 23.971 5.873 ( -6.291 0.713 -0.027) 6.331 6.454 ( -6.459 -4.091 0.586) 7.669 6.839 ( 5.460 -6.422 -7.102) 11.023 7.521 ( 4.596 0.708 -16.521) 17.163 9.247 ( -0.484 -6.453 22.547) 23.457 9.364 ( -0.119 19.590 -38.128) 42.867 10.271 ( -5.154 -4.646 25.670) 26.591 10.359 ( -2.261 2.039 14.588) 14.903 11.311 ( -1.014 4.197 10.534) 11.385 11.872 ( -1.200 3.217 6.848) 7.661 12.755 ( -10.934 12.695 -7.394) 18.314 13.375 ( 20.846 -2.062 -3.972) 21.320 14.015 ( 10.403 -14.512 3.323) 18.162 14.885 ( -1.605 -2.090 3.862) 4.675 15.912 ( -13.053 -4.722 -21.513) 25.602 ======================= Grid point 752 (140/189) ======================= q-point: ( 0.36 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( 1.630 -11.012 3.978) 11.821 4.696 ( -8.685 -12.600 2.670) 15.534 5.438 ( -1.173 4.152 19.372) 19.847 5.691 ( -10.510 2.799 0.750) 10.902 6.428 ( 3.119 -7.838 10.948) 13.821 6.813 ( -5.682 -20.707 -0.934) 21.492 7.808 ( 21.397 19.026 -16.341) 32.967 9.104 ( -13.982 8.563 -15.988) 22.900 9.382 ( 3.350 8.192 -6.200) 10.807 9.984 ( -16.136 -5.379 18.538) 25.159 10.579 ( 15.575 11.562 22.108) 29.411 11.255 ( -4.837 7.756 13.126) 15.995 11.881 ( 2.832 2.801 5.244) 6.585 12.505 ( -14.156 7.955 -0.466) 16.245 13.760 ( 18.395 -7.159 -0.846) 19.757 14.251 ( 10.861 -23.876 -8.915) 27.704 14.854 ( 0.062 -0.666 5.786) 5.825 15.624 ( -16.052 -1.232 -18.136) 24.250 ======================= Grid point 753 (141/189) ======================= q-point: ( 0.45 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.284 ( 8.572 -12.993 -2.509) 15.767 4.491 ( -11.534 -14.143 -4.148) 18.715 5.439 ( 1.771 4.746 15.472) 16.281 5.519 ( -6.501 4.135 9.086) 11.913 6.534 ( 6.850 -13.486 10.018) 18.142 6.677 ( -7.494 -18.892 5.013) 20.933 8.273 ( 24.781 22.451 -17.330) 37.663 8.742 ( -22.104 19.816 -19.826) 35.698 9.494 ( 8.002 0.668 2.322) 8.359 9.697 ( -12.694 -2.411 9.219) 15.873 10.882 ( 14.233 12.298 21.565) 28.616 11.116 ( -9.485 10.820 17.284) 22.489 11.997 ( 9.007 2.005 4.506) 10.269 12.224 ( -13.669 3.805 3.845) 14.700 14.091 ( 14.953 -15.551 -2.239) 21.690 14.311 ( -5.768 -23.450 -7.287) 25.224 14.980 ( 13.107 1.491 -2.643) 13.454 15.293 ( -17.269 0.476 -12.530) 21.341 ======================= Grid point 762 (142/189) ======================= q-point: ( 0.27 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.050 ( -7.074 -7.074 5.505) 11.419 4.652 ( -9.564 -9.564 4.742) 14.332 5.493 ( 0.502 0.502 18.002) 18.016 5.847 ( -3.972 -3.972 0.627) 5.652 6.364 ( -4.742 -4.742 8.202) 10.595 6.608 ( -11.485 -11.485 6.073) 17.341 7.779 ( 20.361 20.361 -14.828) 32.389 9.142 ( -3.738 -3.738 11.465) 12.625 9.650 ( 8.809 8.809 -43.173) 44.934 10.091 ( -11.540 -11.540 26.506) 31.127 10.522 ( 12.668 12.668 19.639) 26.583 11.366 ( 1.587 1.587 9.885) 10.136 11.908 ( 0.826 0.826 8.720) 8.798 12.943 ( 0.434 0.434 -3.395) 3.450 13.383 ( 6.196 6.196 -17.258) 19.355 13.777 ( -7.455 -7.455 10.374) 14.792 14.849 ( -1.335 -1.335 5.983) 6.274 15.773 ( -9.434 -9.434 -19.081) 23.283 ======================= Grid point 763 (143/189) ======================= q-point: ( 0.36 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( -0.746 -9.654 -0.996) 9.734 4.441 ( -11.794 -13.430 -4.140) 18.347 5.492 ( -0.185 1.385 13.204) 13.278 5.717 ( -8.157 -0.618 0.056) 8.181 6.305 ( -0.732 -4.700 19.742) 20.307 6.452 ( -5.238 -14.447 14.282) 20.979 8.219 ( 23.395 21.216 -11.065) 33.465 9.095 ( -2.002 -2.042 3.105) 4.221 9.704 ( -2.736 16.320 -34.977) 38.694 9.860 ( -10.793 -6.334 14.936) 19.486 10.819 ( 16.520 12.770 20.321) 29.136 11.372 ( -1.252 4.088 10.885) 11.694 11.934 ( 2.802 2.521 7.692) 8.566 12.726 ( -18.185 13.841 -3.404) 23.105 13.601 ( 11.480 -11.050 -8.721) 18.165 13.750 ( 3.495 -23.755 3.066) 24.206 14.855 ( 2.857 0.607 4.706) 5.539 15.546 ( -13.557 -6.660 -15.342) 21.530 ======================= Grid point 764 (144/189) ======================= q-point: ( 0.45 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.027 ( 6.466 -12.491 -6.492) 15.491 4.208 ( -11.310 -14.300 -8.317) 20.039 5.504 ( 1.842 1.774 9.562) 9.898 5.576 ( -5.605 1.320 5.045) 7.656 6.322 ( 1.991 -7.959 21.954) 23.437 6.373 ( -3.177 -11.687 18.909) 22.455 8.662 ( 20.873 15.735 -5.022) 26.618 8.989 ( -10.992 5.627 -0.708) 12.369 9.631 ( -1.068 10.873 -13.825) 17.621 9.696 ( -6.398 5.279 -10.924) 13.716 11.119 ( 12.897 11.289 17.491) 24.489 11.304 ( -6.064 7.751 13.693) 16.863 12.058 ( 10.621 4.380 4.667) 12.400 12.350 ( -18.353 9.142 0.929) 20.525 13.765 ( 5.750 -17.303 -0.603) 18.243 13.819 ( 0.945 -26.137 -4.194) 26.488 14.991 ( 11.064 -0.201 -2.034) 11.251 15.258 ( -15.083 -3.730 -9.857) 18.401 ======================= Grid point 774 (145/189) ======================= q-point: ( 0.36 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( -4.134 -4.134 -6.399) 8.667 4.177 ( -13.102 -13.102 -9.908) 21.012 5.502 ( 0.106 0.106 7.278) 7.280 5.660 ( -4.701 -4.701 -2.426) 7.077 6.240 ( -2.077 -2.077 28.172) 28.324 6.268 ( -4.848 -4.848 27.953) 28.782 8.595 ( 16.448 16.448 3.299) 23.493 9.082 ( -0.191 -0.191 2.894) 2.907 9.753 ( -2.049 -2.049 4.240) 5.135 9.940 ( 5.810 5.810 -45.812) 46.543 11.079 ( 13.434 13.434 18.060) 26.213 11.422 ( 1.198 1.198 10.267) 10.406 11.997 ( 4.925 4.925 8.424) 10.930 12.955 ( 0.151 0.151 -3.049) 3.057 13.202 ( -13.952 -13.952 -9.255) 21.794 13.532 ( -5.327 -5.327 6.631) 10.036 14.886 ( 2.883 2.883 2.566) 4.817 15.375 ( -10.324 -10.324 -11.499) 18.585 ======================= Grid point 775 (146/189) ======================= q-point: ( 0.45 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.819 ( 3.187 -8.134 -10.786) 13.880 3.949 ( -9.623 -11.604 -12.329) 19.475 5.513 ( 1.427 -0.425 3.253) 3.577 5.567 ( -4.061 -1.864 -0.230) 4.474 6.217 ( -0.391 -3.206 33.101) 33.258 6.221 ( -0.863 -4.126 32.249) 32.524 8.860 ( 10.916 5.327 16.133) 20.195 9.029 ( -5.966 -0.495 13.788) 15.032 9.806 ( 6.802 10.891 -25.867) 28.878 9.942 ( -4.891 12.771 -42.218) 44.378 11.309 ( 8.858 7.932 14.253) 18.561 11.414 ( -2.346 3.708 11.372) 12.189 12.177 ( 14.539 8.113 5.887) 17.660 12.566 ( -23.926 11.891 0.167) 26.718 13.302 ( 8.933 -25.296 -2.615) 26.954 13.438 ( -5.161 -16.048 1.707) 16.944 14.983 ( 7.220 -0.255 -1.342) 7.348 15.163 ( -10.643 -5.569 -6.588) 13.700 ======================= Grid point 786 (147/189) ======================= q-point: ( 0.45 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.724 ( -1.289 -1.289 -13.923) 14.042 3.772 ( -5.999 -5.999 -14.533) 16.828 5.506 ( 0.069 0.069 -0.221) 0.242 5.525 ( -1.868 -1.868 -1.591) 3.083 6.180 ( -0.547 -0.547 38.743) 38.751 6.184 ( -0.791 -0.791 38.681) 38.697 8.931 ( 2.969 2.969 23.394) 23.768 8.990 ( -2.926 -2.926 22.286) 22.667 10.020 ( 8.880 8.880 -42.882) 44.683 10.096 ( 2.025 2.025 -47.453) 47.540 11.425 ( 3.728 3.728 11.663) 12.799 11.455 ( 0.445 0.445 10.561) 10.580 12.392 ( 14.137 14.137 6.995) 21.182 12.687 ( -9.059 -9.059 5.450) 13.923 12.957 ( 0.015 0.015 -2.866) 2.866 13.149 ( -13.289 -13.289 0.060) 18.793 14.995 ( 1.818 1.818 -1.576) 3.016 15.059 ( -4.580 -4.580 -3.466) 7.346 ======================= Grid point 847 (148/189) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.614 ( -0.000 -0.000 28.009) 28.009 5.788 ( -0.000 -0.000 -3.005) 3.005 5.788 ( 0.000 0.000 -3.005) 3.005 5.970 ( 0.000 0.000 40.268) 40.268 5.970 ( -0.000 0.000 40.268) 40.268 6.692 ( 0.000 0.000 -24.442) 24.442 7.886 ( -0.000 0.000 -39.774) 39.774 7.886 ( 0.000 0.000 -39.774) 39.774 9.591 ( -0.000 -0.000 45.438) 45.438 11.034 ( 0.000 0.000 -21.069) 21.069 11.407 ( -0.000 -0.000 6.305) 6.305 11.407 ( -0.000 -0.000 6.305) 6.305 12.349 ( 0.000 0.000 14.560) 14.560 12.619 ( -0.000 -0.000 1.231) 1.231 12.817 ( 0.000 0.000 -2.646) 2.646 12.817 ( 0.000 0.000 -2.646) 2.646 15.007 ( 0.000 0.000 16.984) 16.984 16.026 ( 0.000 0.000 -28.757) 28.757 ======================= Grid point 848 (149/189) ======================= q-point: ( 0.09 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.409 ( -15.223 0.000 25.736) 29.902 5.782 ( -0.610 0.000 -2.875) 2.939 5.804 ( -1.186 0.000 7.508) 7.601 5.936 ( -4.062 0.000 32.250) 32.505 6.094 ( 10.148 0.000 29.553) 31.247 6.651 ( -3.102 0.000 -16.701) 16.986 7.850 ( -3.517 0.000 -38.993) 39.151 7.882 ( -0.326 0.000 -38.870) 38.872 9.701 ( 10.653 0.000 44.509) 45.766 11.044 ( -1.262 0.000 -14.346) 14.401 11.352 ( -6.919 0.000 7.532) 10.228 11.399 ( -0.778 0.000 5.513) 5.568 12.092 ( -14.628 0.000 -2.199) 14.792 12.121 ( -25.663 0.000 -0.777) 25.675 13.118 ( 20.725 0.000 9.584) 22.833 13.341 ( 29.743 0.000 -1.601) 29.786 14.989 ( -1.658 0.000 15.149) 15.240 15.964 ( -6.308 0.000 -28.155) 28.853 ======================= Grid point 849 (150/189) ======================= q-point: ( 0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.096 ( -15.854 0.000 23.574) 28.409 5.750 ( -6.393 0.000 -6.552) 9.154 5.755 ( -3.295 0.000 14.161) 14.540 5.790 ( -7.579 0.000 15.801) 17.524 6.305 ( 10.979 0.000 17.421) 20.592 6.629 ( 2.015 0.000 3.010) 3.622 7.754 ( -6.161 0.000 -36.629) 37.144 7.874 ( -0.581 0.000 -36.095) 36.099 9.964 ( 14.320 0.000 40.766) 43.208 10.866 ( -17.321 0.000 -0.130) 17.322 11.075 ( -20.045 0.000 10.613) 22.681 11.385 ( -0.690 0.000 4.765) 4.815 11.797 ( -6.883 0.000 -1.096) 6.970 11.992 ( 5.005 0.000 -20.265) 20.874 13.494 ( 16.669 0.000 18.444) 24.860 13.886 ( 25.416 0.000 -2.483) 25.537 14.954 ( -1.547 0.000 9.791) 9.912 15.782 ( -12.013 0.000 -26.286) 28.901 ======================= Grid point 850 (151/189) ======================= q-point: ( 0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.815 ( -12.161 0.000 18.299) 21.971 5.453 ( -18.429 0.000 -7.549) 19.915 5.689 ( -3.145 0.000 17.256) 17.540 5.739 ( -1.958 0.000 5.540) 5.876 6.522 ( 11.175 0.000 6.901) 13.134 6.740 ( 8.898 0.000 13.720) 16.353 7.614 ( -7.922 0.000 -32.573) 33.523 7.850 ( -2.184 0.000 -30.859) 30.936 10.118 ( -4.064 0.000 23.601) 23.948 10.454 ( -22.354 0.000 1.403) 22.398 10.787 ( -2.341 0.000 23.560) 23.676 11.363 ( -1.633 0.000 7.362) 7.541 11.773 ( 2.960 0.000 0.827) 3.073 12.187 ( 11.678 0.000 -21.573) 24.531 13.764 ( 11.383 0.000 21.032) 23.914 14.326 ( 19.237 0.000 -4.169) 19.683 14.943 ( 0.569 0.000 3.049) 3.102 15.501 ( -16.448 0.000 -22.702) 28.034 ======================= Grid point 851 (152/189) ======================= q-point: ( 0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.641 ( -5.074 0.000 10.681) 11.825 5.089 ( -17.744 0.000 -9.160) 19.969 5.641 ( -1.565 0.000 17.668) 17.737 5.697 ( -2.282 0.000 8.616) 8.913 6.742 ( 11.276 0.000 -2.530) 11.557 6.954 ( 12.049 0.000 11.112) 16.391 7.452 ( -8.070 0.000 -26.149) 27.366 7.771 ( -6.403 0.000 -22.047) 22.958 9.880 ( -13.658 0.000 7.914) 15.786 10.048 ( -18.073 0.000 -0.566) 18.082 10.937 ( 11.622 0.000 29.953) 32.129 11.321 ( -2.704 0.000 10.447) 10.792 11.892 ( 8.965 0.000 4.593) 10.073 12.354 ( 3.759 0.000 -9.721) 10.423 13.984 ( 12.427 0.000 10.696) 16.396 14.627 ( 10.659 0.000 -8.968) 13.930 14.968 ( 1.476 0.000 -0.493) 1.556 15.157 ( -17.570 0.000 -14.675) 22.892 ======================= Grid point 852 (153/189) ======================= q-point: ( 0.45 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.628 ( 3.837 0.000 2.227) 4.437 4.788 ( -12.223 0.000 -5.069) 13.232 5.630 ( 0.448 0.000 15.836) 15.842 5.654 ( -1.875 0.000 12.490) 12.630 6.958 ( 10.440 0.000 -10.272) 14.646 7.109 ( -1.427 0.000 -7.593) 7.726 7.384 ( 5.748 0.000 -8.919) 10.611 7.593 ( -11.378 0.000 -10.512) 15.491 9.708 ( -2.845 0.000 1.898) 3.420 9.774 ( -9.221 0.000 -1.020) 9.277 11.134 ( 7.916 0.000 22.231) 23.599 11.252 ( -4.468 0.000 15.009) 15.660 12.107 ( 12.020 0.000 8.175) 14.536 12.312 ( -7.483 0.000 3.985) 8.478 14.280 ( 17.514 0.000 -6.990) 18.857 14.621 ( -14.013 0.000 -20.374) 24.728 14.950 ( -0.162 0.000 2.486) 2.491 14.979 ( -0.735 0.000 0.070) 0.738 ======================= Grid point 859 (154/189) ======================= q-point: ( 0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.247 ( -13.326 -13.326 21.098) 28.289 5.749 ( -6.716 -6.716 24.556) 26.328 5.786 ( -0.941 -0.941 4.091) 4.302 6.009 ( 7.190 7.190 6.368) 11.998 6.127 ( 2.543 2.543 22.731) 23.014 6.637 ( -0.694 -0.694 -6.475) 6.549 7.643 ( -10.721 -10.721 -34.412) 37.604 8.057 ( 7.629 7.629 -41.382) 42.765 9.786 ( 8.079 8.079 43.291) 44.773 10.965 ( -10.204 -10.204 -7.024) 16.049 11.255 ( -8.078 -8.078 9.089) 14.599 11.427 ( 0.956 0.956 6.352) 6.494 11.756 ( -7.332 -7.332 -14.011) 17.431 12.533 ( 3.529 3.529 6.936) 8.545 12.829 ( 0.575 0.575 -2.558) 2.685 13.707 ( 21.093 21.093 7.313) 30.713 14.973 ( -1.491 -1.491 13.120) 13.288 15.907 ( -5.706 -5.706 -27.589) 28.745 ======================= Grid point 860 (155/189) ======================= q-point: ( 0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.961 ( -14.804 -12.062 18.088) 26.303 5.568 ( -11.238 -9.648 19.513) 24.498 5.761 ( -1.746 -1.451 5.288) 5.755 5.986 ( -7.710 10.651 1.095) 13.194 6.306 ( 13.555 0.997 5.771) 14.766 6.658 ( 3.233 2.925 13.848) 14.518 7.463 ( -7.430 -15.491 -28.466) 33.249 8.157 ( 2.547 15.124 -41.292) 44.048 9.957 ( 6.094 -2.160 35.604) 36.186 10.679 ( -13.399 -11.965 5.152) 18.688 11.056 ( -13.072 -3.662 10.598) 17.222 11.431 ( -0.294 3.151 5.486) 6.333 11.777 ( 5.037 1.646 -12.488) 13.566 12.284 ( -11.122 23.240 -8.456) 27.116 13.217 ( 23.261 -20.547 6.066) 31.623 14.069 ( 15.538 11.274 10.354) 21.811 14.944 ( -1.058 -0.795 7.467) 7.583 15.744 ( -10.756 -3.890 -25.833) 28.252 ======================= Grid point 861 (156/189) ======================= q-point: ( 0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.696 ( -11.577 -11.218 14.032) 21.372 5.302 ( -15.921 -11.140 4.669) 19.984 5.717 ( -2.647 -1.030 6.292) 6.903 5.823 ( -7.285 6.992 4.680) 11.129 6.578 ( 12.928 5.661 2.865) 14.400 6.765 ( 8.011 2.338 17.673) 19.545 7.348 ( -4.448 -14.249 -21.367) 26.065 8.157 ( -2.658 19.092 -38.397) 42.964 9.884 ( -11.776 -17.495 12.936) 24.740 10.568 ( -8.198 6.566 11.340) 15.457 10.800 ( -3.071 0.724 23.626) 23.836 11.414 ( -1.528 4.309 6.683) 8.097 11.834 ( 1.616 5.723 0.598) 5.977 12.257 ( 5.903 7.895 -19.546) 21.891 13.619 ( 17.356 -13.429 10.955) 24.526 14.321 ( 10.626 -1.511 6.069) 12.330 14.942 ( 0.746 0.020 1.991) 2.126 15.495 ( -14.197 -0.712 -22.519) 26.630 ======================= Grid point 862 (157/189) ======================= q-point: ( 0.36 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.531 ( -4.800 -10.706 8.027) 14.216 4.971 ( -16.807 -10.634 -4.070) 20.301 5.666 ( -2.172 0.274 9.102) 9.362 5.718 ( -3.764 2.608 9.427) 10.480 6.774 ( 7.609 2.972 8.515) 11.799 6.962 ( 9.000 -1.807 2.080) 9.413 7.310 ( 2.529 -2.913 -12.835) 13.403 8.046 ( -8.786 19.357 -31.874) 38.312 9.669 ( -7.526 -13.472 4.072) 15.961 10.202 ( -21.398 7.346 4.422) 23.052 10.980 ( 12.402 4.372 28.848) 31.704 11.371 ( -2.812 4.734 9.483) 10.965 11.913 ( 7.074 2.395 4.655) 8.800 12.360 ( 2.006 0.880 -9.523) 9.772 13.917 ( 14.164 -6.982 6.899) 17.233 14.493 ( 6.083 -12.053 -5.602) 14.618 14.953 ( -0.150 -0.755 1.696) 1.862 15.215 ( -13.118 3.962 -16.001) 21.067 ======================= Grid point 863 (158/189) ======================= q-point: ( 0.45 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( 3.916 -10.444 1.342) 11.234 4.680 ( -12.035 -10.366 -3.731) 16.316 5.644 ( -0.041 0.543 10.941) 10.955 5.663 ( -1.932 0.752 10.656) 10.856 6.906 ( 6.061 -3.050 5.101) 8.489 7.004 ( -3.227 -7.995 -1.355) 8.728 7.508 ( 15.338 13.001 -12.562) 23.708 7.814 ( -14.525 17.200 -22.035) 31.501 9.635 ( 4.364 -4.705 1.164) 6.522 9.832 ( -15.203 2.970 1.823) 15.597 11.183 ( 7.949 4.796 20.946) 22.911 11.301 ( -4.481 4.749 13.891) 15.349 12.102 ( 11.212 -0.311 7.480) 13.482 12.301 ( -7.660 -0.957 3.317) 8.402 14.208 ( 15.486 -7.237 -5.959) 18.102 14.476 ( -9.261 -12.917 -13.998) 21.179 14.955 ( 1.989 0.538 1.911) 2.811 15.033 ( -5.703 3.589 -4.998) 8.390 ======================= Grid point 871 (159/189) ======================= q-point: ( 0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.689 ( -14.544 -14.544 12.364) 23.998 5.349 ( -13.126 -13.126 18.165) 25.972 5.727 ( -1.975 -1.975 3.777) 4.698 6.039 ( -5.480 -5.480 -3.271) 8.413 6.448 ( 13.353 13.353 -5.286) 19.610 6.734 ( 4.402 4.402 28.202) 28.881 7.234 ( -7.033 -7.033 -18.251) 20.786 8.398 ( 8.993 8.993 -43.876) 45.682 9.806 ( -12.988 -12.988 17.281) 25.219 10.591 ( 3.901 3.901 18.460) 19.267 10.929 ( -9.020 -9.020 13.507) 18.579 11.478 ( 1.623 1.623 6.503) 6.896 11.860 ( 5.769 5.769 -11.160) 13.824 12.741 ( 6.675 6.675 -6.286) 11.342 12.858 ( 0.793 0.793 -2.346) 2.600 14.224 ( 4.036 4.036 18.683) 19.535 14.935 ( 0.158 0.158 2.911) 2.920 15.633 ( -7.366 -7.366 -24.397) 26.527 ======================= Grid point 872 (160/189) ======================= q-point: ( 0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.426 ( -11.530 -15.067 8.046) 20.608 5.051 ( -16.956 -14.691 7.500) 23.655 5.685 ( -2.249 -2.131 3.578) 4.733 5.885 ( -8.304 -1.185 -2.402) 8.725 6.709 ( 10.757 5.668 -1.134) 12.212 6.819 ( 4.069 3.361 29.607) 30.074 7.213 ( 5.799 2.602 -12.035) 13.610 8.498 ( 0.886 15.032 -43.486) 46.020 9.544 ( -11.302 -16.012 6.635) 20.692 10.616 ( -12.448 -3.443 8.904) 15.687 10.846 ( 9.577 5.977 29.134) 31.245 11.495 ( 0.060 3.537 6.481) 7.383 11.953 ( 2.722 5.372 -0.376) 6.034 12.520 ( -8.773 18.441 -13.535) 24.500 13.294 ( 23.434 -18.449 -2.613) 29.940 14.245 ( -0.931 -6.156 16.363) 17.508 14.944 ( 0.361 0.105 1.914) 1.950 15.462 ( -9.739 -2.920 -21.551) 23.829 ======================= Grid point 873 (161/189) ======================= q-point: ( 0.36 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.261 ( -4.817 -15.691 3.496) 16.782 4.708 ( -17.138 -15.755 -0.930) 23.298 5.645 ( -1.551 -1.976 3.940) 4.673 5.746 ( -5.652 -0.738 2.304) 6.148 6.839 ( 3.537 1.440 16.090) 16.537 6.877 ( 1.617 -1.748 18.674) 18.825 7.461 ( 17.573 15.278 -15.675) 28.070 8.422 ( -8.659 18.158 -38.873) 43.770 9.427 ( 0.113 -10.764 2.224) 10.992 10.262 ( -20.800 -1.336 8.197) 22.397 11.100 ( 12.996 7.448 25.234) 29.345 11.478 ( -1.825 5.430 7.728) 9.619 11.991 ( 3.007 5.225 5.721) 8.311 12.415 ( -4.231 5.782 -9.293) 11.734 13.703 ( 17.996 -14.852 -3.219) 23.554 14.222 ( -1.158 -14.364 4.585) 15.123 14.942 ( -0.282 -0.504 3.018) 3.073 15.264 ( -10.104 0.560 -16.180) 19.084 ======================= Grid point 874 (162/189) ======================= q-point: ( 0.45 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.251 ( 3.970 -16.129 -0.817) 16.631 4.413 ( -12.225 -16.186 -3.095) 20.519 5.632 ( 0.355 -1.701 4.511) 4.834 5.663 ( -2.857 -1.279 4.419) 5.415 6.881 ( 1.184 0.055 20.490) 20.524 6.892 ( 0.076 -2.037 18.277) 18.391 7.831 ( 19.045 18.899 -23.304) 35.538 8.177 ( -15.627 19.039 -31.416) 39.921 9.547 ( 11.636 -4.265 1.839) 12.529 9.858 ( -19.218 -0.656 5.068) 19.886 11.308 ( 7.922 7.394 17.688) 20.744 11.421 ( -4.093 6.868 11.277) 13.823 12.110 ( 8.795 1.631 6.386) 10.991 12.292 ( -8.507 0.827 1.506) 8.679 13.998 ( 12.135 -14.159 -5.569) 19.462 14.171 ( -5.211 -17.164 -5.302) 18.704 14.964 ( 3.377 0.259 0.296) 3.400 15.081 ( -8.130 1.032 -7.794) 11.309 ======================= Grid point 883 (163/189) ======================= q-point: ( 0.27 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.145 ( -12.690 -12.690 3.561) 18.296 4.726 ( -18.110 -18.110 2.414) 25.724 5.639 ( -2.406 -2.406 2.162) 4.032 5.804 ( -5.840 -5.840 -4.872) 9.589 6.774 ( 2.417 2.417 10.197) 10.754 6.896 ( 3.467 3.467 38.247) 38.560 7.434 ( 17.543 17.543 -17.237) 30.210 8.725 ( 7.422 7.422 -46.184) 47.361 9.290 ( -8.849 -8.849 3.601) 13.022 10.453 ( -12.112 -12.112 10.210) 19.941 11.026 ( 11.301 11.301 25.864) 30.404 11.547 ( 1.791 1.791 6.751) 7.210 12.036 ( 3.221 3.221 2.762) 5.327 12.886 ( 0.596 0.596 -2.112) 2.274 12.978 ( 3.875 3.875 -18.243) 19.049 14.100 ( -7.917 -7.917 17.366) 20.663 14.940 ( -0.535 -0.535 3.215) 3.303 15.375 ( -5.949 -5.949 -18.960) 20.743 ======================= Grid point 884 (164/189) ======================= q-point: ( 0.36 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.956 ( -6.060 -14.473 -0.354) 15.695 4.368 ( -17.466 -18.340 -2.736) 25.474 5.598 ( -1.603 -2.684 1.556) 3.492 5.692 ( -5.107 -4.169 -2.502) 7.051 6.829 ( 3.092 1.171 21.611) 21.862 6.939 ( 0.856 3.897 38.503) 38.710 7.825 ( 21.039 20.721 -23.850) 37.958 8.744 ( -5.793 14.607 -42.265) 45.092 9.252 ( 5.510 -7.075 0.173) 8.969 10.162 ( -17.181 -8.381 9.908) 21.532 11.259 ( 11.706 8.597 20.126) 24.819 11.565 ( 0.035 3.353 7.040) 7.798 12.088 ( 2.602 4.244 7.070) 8.647 12.614 ( -13.928 14.182 -7.884) 21.384 13.349 ( 18.797 -20.359 -10.142) 29.507 13.955 ( -6.607 -12.720 11.303) 18.254 14.931 ( 0.039 -0.570 2.974) 3.028 15.234 ( -8.141 -3.419 -14.248) 16.762 ======================= Grid point 885 (165/189) ======================= q-point: ( 0.45 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( 3.043 -16.294 -3.459) 16.933 4.073 ( -11.861 -17.673 -4.627) 21.782 5.583 ( 0.310 -2.994 1.009) 3.175 5.613 ( -2.789 -3.419 -0.186) 4.416 6.888 ( 2.801 2.270 29.628) 29.847 6.932 ( -1.457 3.484 35.279) 35.481 8.222 ( 18.778 20.395 -30.657) 41.333 8.543 ( -13.724 18.056 -36.219) 42.734 9.464 ( 14.895 -4.396 1.259) 15.581 9.802 ( -18.711 -4.975 6.610) 20.458 11.451 ( 7.271 6.773 13.468) 16.737 11.544 ( -2.536 5.129 8.807) 10.503 12.176 ( 7.149 5.054 6.336) 10.807 12.365 ( -11.553 7.213 -0.368) 13.625 13.655 ( 12.071 -20.227 -5.910) 24.285 13.832 ( -6.705 -17.186 1.911) 18.547 14.962 ( 3.569 -0.426 -0.723) 3.667 15.074 ( -7.540 -1.549 -7.552) 10.783 ======================= Grid point 895 (166/189) ======================= q-point: ( 0.36 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.724 ( -8.485 -8.485 -3.673) 12.549 4.018 ( -16.539 -16.539 -5.458) 24.018 5.549 ( -2.005 -2.005 0.474) 2.875 5.607 ( -4.021 -4.021 -2.497) 6.210 6.881 ( 3.617 3.617 31.948) 32.355 6.997 ( 1.704 1.704 42.115) 42.184 8.239 ( 20.707 20.707 -30.171) 42.046 8.966 ( 4.740 4.740 -48.085) 48.550 9.170 ( 1.776 1.776 5.229) 5.800 9.949 ( -12.977 -12.977 8.913) 20.402 11.429 ( 8.341 8.341 14.493) 18.687 11.611 ( 1.387 1.387 7.016) 7.285 12.172 ( 4.968 4.968 8.128) 10.744 12.902 ( 0.256 0.256 -1.936) 1.970 12.967 ( -4.045 -4.045 -11.865) 13.172 13.720 ( -11.463 -11.463 9.361) 18.720 14.926 ( 0.255 0.255 1.660) 1.698 15.141 ( -5.681 -5.681 -10.564) 13.273 ======================= Grid point 896 (167/189) ======================= q-point: ( 0.45 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( 0.632 -11.536 -6.081) 13.056 3.751 ( -10.030 -14.433 -6.781) 18.838 5.527 ( -0.183 -2.532 -0.227) 2.549 5.545 ( -2.115 -3.175 -1.222) 4.006 6.953 ( 3.344 3.749 38.239) 38.568 7.001 ( -1.274 3.049 41.668) 41.799 8.609 ( 16.549 18.557 -35.129) 43.038 8.875 ( -10.311 15.432 -38.103) 42.383 9.368 ( 14.382 -5.390 0.078) 15.359 9.667 ( -15.351 -8.607 5.136) 18.333 11.564 ( 4.949 4.728 9.695) 11.867 11.618 ( -0.861 2.637 7.517) 8.012 12.310 ( 9.856 8.820 6.292) 14.646 12.569 ( -16.343 12.792 -0.364) 20.757 13.242 ( 14.343 -21.046 -2.786) 25.620 13.495 ( -11.782 -17.071 3.242) 20.994 14.952 ( 2.607 -0.462 -1.298) 2.949 15.030 ( -5.197 -2.720 -5.798) 8.248 ======================= Grid point 907 (168/189) ======================= q-point: ( 0.45 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( -2.951 -2.951 -7.901) 8.936 3.536 ( -6.839 -6.839 -8.147) 12.646 5.493 ( -0.782 -0.782 -0.593) 1.255 5.499 ( -1.418 -1.418 -0.941) 2.215 7.017 ( 2.396 2.396 42.704) 42.838 7.037 ( 0.453 0.453 43.881) 43.886 8.930 ( 13.637 13.637 -38.254) 42.840 9.092 ( 1.621 1.621 -49.182) 49.236 9.296 ( 2.709 2.709 10.905) 11.558 9.474 ( -10.803 -10.803 2.810) 15.534 11.634 ( 2.238 2.238 7.703) 8.328 11.650 ( 0.522 0.522 7.186) 7.224 12.526 ( 13.196 13.196 5.302) 19.401 12.790 ( -3.196 -3.196 3.884) 5.959 12.908 ( 0.050 0.050 -1.848) 1.850 13.169 ( -16.061 -16.061 1.714) 22.778 14.952 ( 0.630 0.630 -2.130) 2.309 14.979 ( -2.163 -2.163 -3.701) 4.802 ======================= Grid point 968 (169/189) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.751 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 6.171 ( -0.000 -0.000 -26.526) 26.526 6.171 ( 0.000 0.000 26.526) 26.526 6.583 ( 0.000 0.000 0.000) 0.000 6.583 ( -0.000 -0.000 0.000) 0.000 7.282 ( -0.000 -0.000 -0.000) 0.000 7.282 ( 0.000 0.000 -0.000) 0.000 10.428 ( 0.000 0.000 -36.258) 36.258 10.428 ( 0.000 0.000 36.258) 36.258 11.474 ( -0.000 -0.000 0.000) 0.000 11.474 ( 0.000 0.000 0.000) 0.000 12.575 ( -0.000 -0.000 -6.337) 6.337 12.575 ( 0.000 0.000 6.337) 6.337 12.789 ( 0.000 0.000 0.000) 0.000 12.789 ( 0.000 0.000 0.000) 0.000 15.456 ( 0.000 0.000 -26.114) 26.114 15.456 ( 0.000 0.000 26.114) 26.114 ======================= Grid point 970 (170/189) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.722 ( -3.903 0.000 -1.850) 4.319 5.722 ( -3.903 0.000 1.850) 4.319 6.012 ( -11.860 0.000 -17.725) 21.327 6.012 ( -11.860 0.000 17.725) 21.327 6.692 ( 7.898 0.000 -3.024) 8.457 6.692 ( 7.898 0.000 3.024) 8.457 7.263 ( -1.590 0.000 -1.779) 2.385 7.263 ( -1.590 0.000 1.779) 2.385 10.514 ( 7.852 0.000 -34.473) 35.356 10.514 ( 7.852 0.000 34.473) 35.356 11.445 ( -3.691 0.000 -0.670) 3.751 11.445 ( -3.691 0.000 0.670) 3.751 12.097 ( -25.610 0.000 -0.083) 25.610 12.097 ( -25.610 0.000 0.083) 25.610 13.277 ( 27.881 0.000 -1.456) 27.919 13.277 ( 27.881 0.000 1.456) 27.919 15.409 ( -4.693 0.000 -25.070) 25.505 15.409 ( -4.693 0.000 25.070) 25.505 ======================= Grid point 972 (171/189) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.522 ( -16.210 0.000 -14.173) 21.532 5.522 ( -16.210 0.000 14.173) 21.532 5.857 ( -3.274 0.000 -1.874) 3.772 5.857 ( -3.274 0.000 1.874) 3.772 6.827 ( 5.329 0.000 -11.670) 12.829 6.827 ( 5.329 0.000 11.670) 12.829 7.239 ( -0.250 0.000 -11.372) 11.375 7.239 ( -0.250 0.000 11.372) 11.375 10.640 ( 0.144 0.000 -22.600) 22.600 10.640 ( 0.144 0.000 22.600) 22.600 11.298 ( -8.361 0.000 -11.028) 13.839 11.298 ( -8.361 0.000 11.028) 13.839 11.777 ( -5.259 0.000 -0.081) 5.260 11.777 ( -5.259 0.000 0.081) 5.260 13.779 ( 22.790 0.000 -4.422) 23.215 13.779 ( 22.790 0.000 4.422) 23.215 15.279 ( -8.201 0.000 -21.486) 22.997 15.279 ( -8.201 0.000 21.486) 22.997 ======================= Grid point 974 (172/189) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.175 ( -17.634 0.000 -15.024) 23.166 5.175 ( -17.634 0.000 15.024) 23.166 5.826 ( -0.798 0.000 -0.423) 0.903 5.826 ( -0.798 0.000 0.424) 0.903 6.892 ( 1.429 0.000 -19.910) 19.961 6.892 ( 1.429 0.000 19.910) 19.961 7.268 ( 3.181 0.000 -20.805) 21.047 7.268 ( 3.181 0.000 20.805) 21.047 10.399 ( -20.665 0.000 -3.355) 20.935 10.399 ( -20.665 0.000 3.355) 20.935 11.291 ( 4.771 0.000 -18.154) 18.771 11.291 ( 4.771 0.000 18.154) 18.771 11.827 ( 8.879 0.000 -7.799) 11.818 11.827 ( 8.879 0.000 7.799) 11.818 14.149 ( 14.310 0.000 -10.891) 17.983 14.149 ( 14.310 0.000 10.891) 17.983 15.108 ( -8.421 0.000 -13.825) 16.188 15.108 ( -8.421 0.000 13.825) 16.188 ======================= Grid point 976 (173/189) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.869 ( -12.883 0.000 -10.575) 16.667 4.869 ( -12.883 0.000 10.575) 16.667 5.815 ( -0.406 0.000 -0.213) 0.458 5.815 ( -0.406 0.000 0.213) 0.458 6.901 ( -0.117 0.000 -16.015) 16.016 6.901 ( -0.117 0.000 16.015) 16.016 7.347 ( 4.219 0.000 -17.775) 18.269 7.347 ( 4.219 0.000 17.775) 18.269 9.997 ( -18.109 0.000 -1.595) 18.179 9.997 ( -18.109 0.000 1.595) 18.179 11.365 ( 2.309 0.000 -8.557) 8.863 11.365 ( 2.309 0.000 8.557) 8.863 12.067 ( 13.567 0.000 -13.948) 19.458 12.067 ( 13.567 0.000 13.948) 19.458 14.315 ( 2.502 0.000 -17.995) 18.168 14.315 ( 2.502 0.000 17.995) 18.168 14.990 ( -2.879 0.000 -2.948) 4.120 14.990 ( -2.879 0.000 2.948) 4.120 ======================= Grid point 978 (174/189) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.692 ( -4.719 0.000 -3.799) 6.058 4.692 ( -4.719 0.000 3.799) 6.058 5.809 ( -0.145 0.000 -0.043) 0.151 5.809 ( -0.145 0.000 0.043) 0.151 6.897 ( -0.132 0.000 -5.795) 5.797 6.897 ( -0.132 0.000 5.795) 5.797 7.412 ( 1.950 0.000 -6.817) 7.090 7.412 ( 1.950 0.000 6.817) 7.090 9.742 ( -6.978 0.000 -0.730) 7.016 9.742 ( -6.978 0.000 0.730) 7.016 11.391 ( 0.519 0.000 -2.312) 2.370 11.391 ( 0.519 0.000 2.312) 2.370 12.280 ( 6.407 0.000 -6.903) 9.418 12.280 ( 6.407 0.000 6.903) 9.418 14.299 ( -1.902 0.000 -9.401) 9.591 14.299 ( -1.902 0.000 9.401) 9.591 14.979 ( 0.509 0.000 -0.464) 0.689 14.979 ( 0.509 0.000 0.464) 0.689 ======================= Grid point 992 (175/189) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.478 ( -14.409 -14.409 0.000) 20.378 5.857 ( 3.860 3.860 0.000) 5.459 5.917 ( -4.305 -4.305 0.000) 6.089 6.094 ( -3.610 -3.610 -0.000) 5.105 6.357 ( -9.433 -9.433 0.000) 13.341 7.009 ( 13.647 13.647 0.000) 19.299 7.149 ( -5.199 -5.199 -0.000) 7.352 7.355 ( 3.380 3.380 -0.000) 4.780 10.537 ( -0.525 -0.525 0.000) 0.742 10.577 ( 6.778 6.778 -0.000) 9.585 11.372 ( -4.892 -4.892 0.000) 6.918 11.494 ( 0.980 0.980 0.000) 1.386 11.583 ( -18.690 -18.690 -0.000) 26.431 12.613 ( 1.744 1.744 0.000) 2.467 12.802 ( 0.620 0.620 0.000) 0.877 13.790 ( 24.032 24.032 0.000) 33.987 15.325 ( -6.388 -6.388 0.000) 9.034 15.404 ( -2.557 -2.557 -0.000) 3.616 ======================= Grid point 994 (176/189) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.176 ( -15.921 -18.120 0.000) 24.121 5.741 ( -22.560 0.730 0.000) 22.572 5.839 ( -3.604 -1.622 -0.000) 3.952 5.906 ( -0.276 6.828 -0.000) 6.833 6.435 ( 9.535 -16.487 0.000) 19.046 7.062 ( -2.615 -2.542 -0.000) 3.646 7.240 ( 9.170 14.083 0.000) 16.806 7.395 ( 0.958 7.367 -0.000) 7.429 10.371 ( -16.688 -19.159 0.000) 25.408 10.745 ( 7.769 4.438 -0.000) 8.948 11.244 ( -7.485 -3.664 0.000) 8.333 11.378 ( -0.162 7.289 -0.000) 7.291 11.591 ( 6.984 -3.761 -0.000) 7.932 12.218 ( -19.071 26.325 0.000) 32.507 13.278 ( 26.338 -26.370 0.000) 37.270 14.199 ( 17.128 18.367 0.000) 25.115 15.170 ( -8.931 -7.114 0.000) 11.418 15.314 ( -6.352 -0.290 -0.000) 6.359 ======================= Grid point 996 (177/189) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.874 ( -14.263 -17.715 0.000) 22.744 5.287 ( -22.418 -1.181 -0.000) 22.449 5.779 ( -2.412 -2.037 0.000) 3.157 5.889 ( -1.717 1.468 0.000) 2.259 6.631 ( 9.956 -7.587 0.000) 12.517 7.038 ( -0.027 0.653 -0.000) 0.654 7.382 ( 5.406 14.330 0.000) 15.316 7.404 ( 0.269 8.239 -0.000) 8.244 9.995 ( -18.801 -21.306 0.000) 28.415 10.669 ( -17.228 7.951 0.000) 18.974 11.228 ( 7.130 -1.188 0.000) 7.228 11.415 ( 1.784 7.203 -0.000) 7.421 11.812 ( 14.693 1.559 -0.000) 14.775 11.996 ( -3.220 13.988 -0.000) 14.354 13.740 ( 20.145 -22.977 0.000) 30.557 14.431 ( 5.436 9.721 0.000) 11.137 15.011 ( -5.842 -4.735 0.000) 7.519 15.169 ( -7.900 1.584 -0.000) 8.058 ======================= Grid point 998 (178/189) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.641 ( -8.913 -15.410 0.000) 17.802 4.892 ( -17.301 -4.764 -0.000) 17.945 5.748 ( -0.668 -3.183 0.000) 3.252 5.843 ( -2.724 -1.521 0.000) 3.120 6.815 ( 8.529 1.458 0.000) 8.652 7.045 ( 0.299 6.181 0.000) 6.189 7.415 ( 0.970 6.036 0.000) 6.113 7.455 ( 2.167 10.536 -0.000) 10.757 9.704 ( -9.752 -14.511 0.000) 17.483 10.243 ( -22.880 9.502 0.000) 24.775 11.365 ( 4.871 1.831 0.000) 5.203 11.435 ( 0.407 4.882 -0.000) 4.899 12.065 ( 8.639 2.255 0.000) 8.929 12.103 ( 13.416 1.812 -0.000) 13.538 14.049 ( 11.030 -17.017 0.000) 20.280 14.403 ( -6.478 -0.695 -0.000) 6.515 14.971 ( 0.706 0.260 0.000) 0.752 15.032 ( -5.228 1.862 -0.000) 5.550 ======================= Grid point 1000 (179/189) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.545 ( -0.483 -12.189 0.000) 12.199 4.629 ( -9.074 -8.522 -0.000) 12.448 5.753 ( 1.154 -3.764 0.000) 3.937 5.790 ( -2.467 -3.254 0.000) 4.083 6.956 ( 5.657 8.540 0.000) 10.244 7.032 ( -2.072 10.185 0.000) 10.394 7.443 ( 1.665 3.523 -0.000) 3.897 7.469 ( -0.626 5.208 0.000) 5.245 9.643 ( 3.848 -4.468 0.000) 5.896 9.847 ( -16.288 4.708 0.000) 16.955 11.421 ( 1.384 3.399 0.000) 3.670 11.435 ( -0.303 3.956 -0.000) 3.967 12.243 ( 7.199 -2.044 -0.000) 7.483 12.283 ( 3.847 -0.790 0.000) 3.928 14.184 ( 3.964 -9.567 0.000) 10.356 14.268 ( -5.786 -4.985 -0.000) 7.637 14.980 ( -0.389 0.267 0.000) 0.472 14.984 ( 0.043 0.226 -0.000) 0.230 ======================= Grid point 1016 (180/189) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.826 ( -17.262 -17.262 0.000) 24.413 5.558 ( -18.318 -18.318 0.000) 25.905 5.794 ( -2.897 -2.897 0.000) 4.097 5.919 ( -4.967 -4.967 -0.000) 7.024 6.397 ( 11.353 11.353 0.000) 16.056 7.019 ( -0.068 -0.068 -0.000) 0.097 7.507 ( 11.470 11.470 0.001) 16.222 7.510 ( 4.095 4.095 -0.001) 5.791 9.958 ( -21.055 -21.055 0.000) 29.777 10.823 ( 1.752 1.752 0.000) 2.478 11.174 ( -1.816 -1.816 0.000) 2.569 11.547 ( 1.675 1.675 0.000) 2.368 11.602 ( 11.398 11.398 -0.000) 16.120 12.693 ( 2.118 2.118 0.000) 2.996 12.833 ( 0.857 0.857 0.000) 1.212 14.474 ( 8.590 8.590 0.000) 12.148 15.024 ( -6.640 -6.640 0.000) 9.390 15.271 ( -3.954 -3.954 -0.000) 5.592 ======================= Grid point 1018 (181/189) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.515 ( -13.899 -18.215 0.000) 22.912 5.124 ( -23.511 -15.009 0.000) 27.893 5.734 ( -2.980 -2.720 0.000) 4.034 5.832 ( -3.906 -5.726 -0.000) 6.932 6.678 ( 15.362 10.757 -0.000) 18.754 7.065 ( 4.458 3.391 0.000) 5.601 7.556 ( 0.780 6.681 0.000) 6.727 7.673 ( 5.256 13.884 -0.000) 14.845 9.602 ( -14.073 -17.984 0.000) 22.836 10.706 ( -13.803 -3.593 0.000) 14.263 11.250 ( 8.658 3.438 0.000) 9.316 11.548 ( -0.236 5.566 -0.000) 5.571 11.882 ( 14.734 5.779 -0.000) 15.827 12.360 ( -15.027 21.901 -0.000) 26.560 13.271 ( 23.315 -24.172 0.000) 33.584 14.492 ( -6.375 -3.796 0.000) 7.419 14.964 ( 0.554 0.342 0.000) 0.651 15.169 ( -6.058 -1.520 -0.000) 6.246 ======================= Grid point 1020 (182/189) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.301 ( -7.365 -18.341 0.000) 19.764 4.692 ( -19.675 -15.057 0.000) 24.775 5.686 ( -1.642 -3.262 0.000) 3.652 5.760 ( -3.436 -5.791 -0.000) 6.734 6.970 ( 14.082 13.168 -0.000) 19.279 7.172 ( 5.766 7.376 0.000) 9.362 7.551 ( -0.984 7.141 0.000) 7.209 7.706 ( -1.923 13.910 -0.000) 14.042 9.446 ( -1.105 -11.458 0.000) 11.511 10.341 ( -21.850 0.254 0.000) 21.852 11.423 ( 7.216 3.564 0.000) 8.049 11.542 ( -0.369 5.587 -0.000) 5.599 12.138 ( 10.473 1.964 0.000) 10.656 12.190 ( -2.179 10.946 -0.000) 11.161 13.669 ( 16.959 -21.125 0.000) 27.090 14.306 ( -10.681 -8.455 0.000) 13.622 14.987 ( 0.705 0.825 0.000) 1.085 15.053 ( -5.220 0.095 -0.000) 5.221 ======================= Grid point 1022 (183/189) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.244 ( 1.855 -17.609 0.000) 17.707 4.379 ( -11.732 -16.298 0.000) 20.081 5.674 ( 0.424 -4.194 0.000) 4.215 5.702 ( -2.328 -5.142 -0.000) 5.644 7.204 ( 8.533 15.747 -0.000) 17.910 7.261 ( 2.209 12.280 0.000) 12.477 7.540 ( 0.861 6.060 -0.000) 6.121 7.617 ( -6.026 9.962 -0.000) 11.643 9.564 ( 12.653 -3.742 0.000) 13.195 9.907 ( -21.095 0.924 0.000) 21.115 11.510 ( 2.172 5.162 0.000) 5.600 11.533 ( -0.599 5.555 -0.000) 5.587 12.229 ( 3.925 1.468 -0.000) 4.191 12.263 ( 1.852 -0.709 0.000) 1.983 13.933 ( 10.340 -15.635 0.000) 18.745 14.112 ( -8.957 -10.787 -0.000) 14.021 14.983 ( -0.704 -0.378 0.000) 0.800 14.984 ( -1.497 -0.004 -0.000) 1.497 ======================= Grid point 1040 (184/189) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( -14.955 -14.955 0.000) 21.149 4.750 ( -21.433 -21.433 0.000) 30.311 5.675 ( -3.115 -3.115 0.000) 4.405 5.727 ( -4.598 -4.598 -0.000) 6.503 6.957 ( 16.207 16.207 -0.000) 22.920 7.176 ( 7.460 7.460 0.000) 10.550 7.653 ( 3.019 3.019 0.000) 4.269 7.898 ( 8.379 8.379 -0.000) 11.850 9.322 ( -9.593 -9.593 0.000) 13.566 10.553 ( -11.589 -11.589 0.000) 16.389 11.356 ( 6.953 6.953 0.000) 9.833 11.619 ( 1.859 1.859 0.000) 2.629 12.032 ( 8.779 8.779 -0.000) 12.416 12.767 ( 1.582 1.582 0.000) 2.237 12.863 ( 0.652 0.652 0.000) 0.922 14.331 ( -11.043 -11.043 0.000) 15.616 14.988 ( 1.074 1.074 0.000) 1.518 15.115 ( -3.720 -3.720 -0.000) 5.262 ======================= Grid point 1042 (185/189) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.953 ( -8.012 -16.439 0.000) 18.288 4.339 ( -19.360 -19.751 0.000) 27.657 5.620 ( -2.235 -3.390 0.000) 4.060 5.651 ( -3.141 -4.896 -0.000) 5.817 7.278 ( 15.922 17.221 -0.000) 23.454 7.336 ( 8.303 8.965 0.000) 12.219 7.675 ( -0.521 5.146 0.000) 5.172 7.973 ( -1.208 12.690 -0.000) 12.747 9.266 ( 4.575 -6.426 0.000) 7.889 10.261 ( -17.947 -8.040 0.000) 19.666 11.500 ( 6.959 4.353 0.000) 8.209 11.636 ( 0.258 3.712 0.000) 3.721 12.191 ( 6.702 3.620 -0.000) 7.618 12.479 ( -12.394 17.552 0.000) 21.487 13.244 ( 19.811 -21.555 0.000) 29.276 14.097 ( -12.311 -12.423 0.000) 17.490 14.990 ( -0.852 -0.629 0.000) 1.059 15.036 ( -3.946 -1.679 -0.000) 4.289 ======================= Grid point 1044 (186/189) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.889 ( 1.784 -17.776 0.000) 17.865 4.025 ( -11.940 -18.764 0.000) 22.241 5.593 ( -0.415 -3.922 0.000) 3.944 5.605 ( -1.553 -4.540 0.000) 4.799 7.483 ( 6.249 9.900 -0.000) 11.707 7.532 ( 5.664 16.109 0.000) 17.075 7.674 ( 4.520 8.159 0.000) 9.328 7.860 ( -9.479 14.379 -0.000) 17.223 9.489 ( 16.864 -4.064 0.000) 17.347 9.872 ( -20.847 -4.553 0.000) 21.338 11.602 ( 3.194 3.970 0.000) 5.096 11.634 ( -0.552 4.336 -0.000) 4.371 12.280 ( 2.562 3.023 -0.000) 3.963 12.327 ( -3.732 8.754 0.000) 9.516 13.588 ( 15.265 -19.007 0.000) 24.378 13.855 ( -12.511 -15.036 0.000) 19.561 14.969 ( -0.766 -1.046 0.000) 1.296 14.977 ( -1.791 -0.816 -0.000) 1.968 ======================= Grid point 1064 (187/189) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.686 ( -10.081 -10.081 0.000) 14.256 3.961 ( -17.701 -17.701 0.000) 25.033 5.560 ( -2.559 -2.559 0.000) 3.619 5.572 ( -3.141 -3.141 -0.000) 4.442 7.507 ( 8.149 8.149 -0.000) 11.524 7.618 ( 16.872 16.872 0.000) 23.860 7.742 ( 1.535 1.535 0.000) 2.170 8.162 ( 5.080 5.080 -0.000) 7.184 9.227 ( 3.461 3.461 0.000) 4.894 10.043 ( -13.842 -13.842 0.000) 19.576 11.591 ( 4.704 4.704 0.000) 6.653 11.685 ( 1.445 1.445 0.000) 2.044 12.279 ( 5.067 5.067 -0.000) 7.165 12.813 ( 0.759 0.759 0.000) 1.073 12.882 ( 0.291 0.291 0.000) 0.411 13.832 ( -14.426 -14.426 0.000) 20.401 14.967 ( -1.411 -1.411 0.000) 1.995 14.994 ( -2.349 -2.349 -0.000) 3.322 ======================= Grid point 1066 (188/189) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( -0.247 -12.807 0.000) 12.809 3.680 ( -10.210 -15.472 0.000) 18.537 5.526 ( -0.834 -2.822 0.000) 2.943 5.529 ( -1.215 -3.049 0.000) 3.282 7.646 ( 5.802 6.784 -0.000) 8.927 7.729 ( -2.494 4.859 0.000) 5.462 7.927 ( 13.871 15.800 0.000) 21.025 8.140 ( -6.922 12.750 -0.000) 14.508 9.413 ( 14.483 -3.053 0.000) 14.801 9.735 ( -16.979 -9.021 0.000) 19.227 11.669 ( 2.845 2.946 0.000) 4.096 11.698 ( -0.238 2.248 0.000) 2.261 12.389 ( 6.476 7.882 -0.000) 10.201 12.557 ( -11.307 13.973 0.000) 17.975 13.210 ( 17.489 -19.026 0.000) 25.843 13.535 ( -15.788 -17.233 0.000) 23.371 14.946 ( -0.465 -1.147 0.000) 1.238 14.955 ( -1.381 -1.262 0.000) 1.871 ======================= Grid point 1088 (189/189) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -3.546 -3.546 0.000) 5.015 3.452 ( -7.187 -7.187 0.000) 10.164 5.487 ( -1.006 -1.006 0.000) 1.423 5.488 ( -1.101 -1.101 0.000) 1.557 7.747 ( 3.500 3.500 -0.000) 4.950 7.778 ( 0.420 0.420 0.000) 0.594 8.199 ( 10.594 10.594 0.000) 14.982 8.295 ( 1.702 1.702 0.000) 2.407 9.407 ( 3.383 3.383 0.000) 4.784 9.544 ( -9.518 -9.518 0.000) 13.461 11.715 ( 1.594 1.594 0.000) 2.254 11.726 ( 0.545 0.545 0.000) 0.770 12.583 ( 11.863 11.863 -0.000) 16.776 12.830 ( 0.173 0.173 0.000) 0.245 12.888 ( 0.061 0.061 0.000) 0.086 13.193 ( -17.368 -17.368 0.000) 24.562 14.930 ( -0.378 -0.378 0.000) 0.534 14.934 ( -0.751 -0.751 0.000) 1.062 =================== 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 3/34848 10.0 2044.931 2044.931 1907.887 -0.000 -0.000 0.000 3/34848 20.0 1794.244 1794.244 2265.064 -0.000 -0.000 0.000 3/34848 30.0 991.791 991.791 1136.998 -0.000 -0.000 0.000 3/34848 40.0 569.849 569.849 657.930 -0.000 -0.000 0.000 3/34848 50.0 359.566 359.566 431.063 -0.000 -0.000 0.000 3/34848 60.0 246.236 246.236 305.805 0.000 -0.000 0.000 3/34848 70.0 178.697 178.697 228.511 0.000 -0.000 0.000 3/34848 80.0 135.533 135.533 177.814 0.000 -0.000 0.000 3/34848 90.0 106.618 106.618 143.185 0.000 -0.000 0.000 3/34848 100.0 86.526 86.526 118.700 0.000 -0.000 0.000 3/34848 110.0 72.113 72.113 100.825 0.000 -0.000 0.000 3/34848 120.0 61.473 61.473 87.387 0.000 -0.000 0.000 3/34848 130.0 53.407 53.407 77.013 0.000 -0.000 0.000 3/34848 140.0 47.147 47.147 68.813 0.000 -0.000 0.000 3/34848 150.0 42.182 42.182 62.196 0.000 -0.000 0.000 3/34848 160.0 38.168 38.168 56.757 0.000 -0.000 0.000 3/34848 170.0 34.866 34.866 52.216 0.000 -0.000 0.000 3/34848 180.0 32.107 32.107 48.370 0.000 -0.000 0.000 3/34848 190.0 29.772 29.772 45.072 0.000 -0.000 0.000 3/34848 200.0 27.770 27.770 42.213 0.000 -0.000 0.000 3/34848 210.0 26.035 26.035 39.712 0.000 -0.000 0.000 3/34848 220.0 24.517 24.517 37.504 0.000 -0.000 0.000 3/34848 230.0 23.177 23.177 35.540 0.000 -0.000 0.000 3/34848 240.0 21.986 21.986 33.781 0.000 -0.000 0.000 3/34848 250.0 20.919 20.919 32.197 0.000 -0.000 0.000 3/34848 260.0 19.957 19.957 30.761 0.000 -0.000 0.000 3/34848 270.0 19.086 19.086 29.454 0.000 -0.000 0.000 3/34848 280.0 18.292 18.292 28.259 0.000 -0.000 0.000 3/34848 290.0 17.566 17.566 27.161 0.000 -0.000 0.000 3/34848 300.0 16.899 16.899 26.149 0.000 -0.000 0.000 3/34848 310.0 16.283 16.283 25.213 0.000 -0.000 0.000 3/34848 320.0 15.713 15.713 24.344 0.000 -0.000 0.000 3/34848 330.0 15.184 15.184 23.536 0.000 -0.000 0.000 3/34848 340.0 14.691 14.691 22.782 0.000 -0.000 0.000 3/34848 350.0 14.231 14.231 22.076 0.000 -0.000 0.000 3/34848 360.0 13.800 13.800 21.414 0.000 -0.000 0.000 3/34848 370.0 13.396 13.396 20.792 0.000 -0.000 0.000 3/34848 380.0 13.015 13.015 20.207 0.000 -0.000 0.000 3/34848 390.0 12.657 12.657 19.654 0.000 -0.000 0.000 3/34848 400.0 12.318 12.318 19.132 0.000 -0.000 0.000 3/34848 410.0 11.998 11.998 18.638 0.000 -0.000 0.000 3/34848 420.0 11.695 11.695 18.169 0.000 -0.000 0.000 3/34848 430.0 11.407 11.407 17.724 0.000 -0.000 0.000 3/34848 440.0 11.133 11.133 17.301 0.000 -0.000 0.000 3/34848 450.0 10.873 10.873 16.898 0.000 -0.000 0.000 3/34848 460.0 10.625 10.625 16.514 0.000 -0.000 0.000 3/34848 470.0 10.388 10.388 16.147 0.000 -0.000 0.000 3/34848 480.0 10.162 10.162 15.797 0.000 -0.000 0.000 3/34848 490.0 9.946 9.946 15.462 0.000 -0.000 0.000 3/34848 500.0 9.739 9.739 15.141 0.000 -0.000 0.000 3/34848 510.0 9.541 9.541 14.833 0.000 -0.000 0.000 3/34848 520.0 9.351 9.351 14.538 0.000 -0.000 0.000 3/34848 530.0 9.168 9.168 14.255 0.000 -0.000 0.000 3/34848 540.0 8.993 8.993 13.983 0.000 -0.000 0.000 3/34848 550.0 8.824 8.824 13.721 0.000 -0.000 0.000 3/34848 560.0 8.662 8.662 13.469 0.000 -0.000 0.000 3/34848 570.0 8.505 8.505 13.226 0.000 -0.000 0.000 3/34848 580.0 8.355 8.355 12.992 0.000 -0.000 0.000 3/34848 590.0 8.209 8.209 12.766 0.000 -0.000 0.000 3/34848 600.0 8.069 8.069 12.548 0.000 -0.000 0.000 3/34848 610.0 7.933 7.933 12.337 0.000 -0.000 0.000 3/34848 620.0 7.802 7.802 12.134 0.000 -0.000 0.000 3/34848 630.0 7.676 7.676 11.937 0.000 -0.000 0.000 3/34848 640.0 7.553 7.553 11.746 0.000 -0.000 0.000 3/34848 650.0 7.435 7.435 11.562 0.000 -0.000 0.000 3/34848 660.0 7.320 7.320 11.383 0.000 -0.000 0.000 3/34848 670.0 7.209 7.209 11.210 0.000 -0.000 0.000 3/34848 680.0 7.101 7.101 11.042 0.000 -0.000 0.000 3/34848 690.0 6.996 6.996 10.880 0.000 -0.000 0.000 3/34848 700.0 6.894 6.894 10.722 0.000 -0.000 0.000 3/34848 710.0 6.795 6.795 10.568 0.000 -0.000 0.000 3/34848 720.0 6.700 6.700 10.419 0.000 -0.000 0.000 3/34848 730.0 6.606 6.606 10.274 0.000 -0.000 0.000 3/34848 740.0 6.516 6.516 10.133 0.000 -0.000 0.000 3/34848 750.0 6.428 6.428 9.996 0.000 -0.000 0.000 3/34848 760.0 6.342 6.342 9.863 0.000 -0.000 0.000 3/34848 770.0 6.259 6.259 9.733 0.000 -0.000 0.000 3/34848 780.0 6.177 6.177 9.607 0.000 -0.000 0.000 3/34848 790.0 6.098 6.098 9.484 0.000 -0.000 0.000 3/34848 800.0 6.021 6.021 9.364 0.000 -0.000 0.000 3/34848 810.0 5.946 5.946 9.247 0.000 -0.000 0.000 3/34848 820.0 5.872 5.872 9.133 0.000 -0.000 0.000 3/34848 830.0 5.801 5.801 9.021 0.000 -0.000 0.000 3/34848 840.0 5.731 5.731 8.913 0.000 -0.000 0.000 3/34848 850.0 5.663 5.663 8.807 0.000 -0.000 0.000 3/34848 860.0 5.597 5.597 8.703 0.000 -0.000 0.000 3/34848 870.0 5.532 5.532 8.602 0.000 -0.000 0.000 3/34848 880.0 5.468 5.468 8.504 0.000 -0.000 0.000 3/34848 890.0 5.406 5.406 8.407 0.000 -0.000 0.000 3/34848 900.0 5.346 5.346 8.313 0.000 -0.000 0.000 3/34848 910.0 5.286 5.286 8.221 0.000 -0.000 0.000 3/34848 920.0 5.228 5.228 8.131 0.000 -0.000 0.000 3/34848 930.0 5.172 5.172 8.043 0.000 -0.000 0.000 3/34848 940.0 5.116 5.116 7.956 0.000 -0.000 0.000 3/34848 950.0 5.062 5.062 7.872 0.000 -0.000 0.000 3/34848 960.0 5.009 5.009 7.789 0.000 -0.000 0.000 3/34848 970.0 4.957 4.957 7.709 0.000 -0.000 0.000 3/34848 980.0 4.906 4.906 7.629 0.000 -0.000 0.000 3/34848 990.0 4.856 4.856 7.552 0.000 -0.000 0.000 3/34848 1000.0 4.807 4.807 7.476 0.000 -0.000 0.000 3/34848 Thermal conductivity related properties were written into "kappa-m111116.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:48:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|