----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:59:33]------------------------- 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 4.721137680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.721137680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.138314920000000 Atomic positions (fractional): *1 F 0.69624292714112 0.69624292714112 0.00000000000000 18.998 2 F 0.80375707285888 0.19624292714112 0.50000000000000 18.998 3 F 0.30375707285888 0.30375707285888 0.00000000000000 18.998 4 F 0.19624292714112 0.80375707285888 0.50000000000000 18.998 *5 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 6 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.721137680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.721137680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.138314920000000 Atomic positions (fractional): *1 F 0.69624292714112 0.69624292714112 0.00000000000000 18.998 > 1 2 F 0.80375707285888 0.19624292714112 0.50000000000000 18.998 > 2 3 F 0.30375707285888 0.30375707285888 0.00000000000000 18.998 > 3 4 F 0.19624292714112 0.80375707285888 0.50000000000000 18.998 > 4 *5 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 5 6 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.442275360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.442275360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.553259680000000 Atomic positions (fractional): *1 F 0.34812146357056 0.34812146357056 0.00000000000000 18.998 > 1 2 F 0.84812146357056 0.34812146357056 0.00000000000000 18.998 > 1 3 F 0.34812146357056 0.84812146357056 0.00000000000000 18.998 > 1 4 F 0.84812146357056 0.84812146357056 0.00000000000000 18.998 > 1 5 F 0.34812146357056 0.34812146357056 0.25000000000000 18.998 > 1 6 F 0.84812146357056 0.34812146357056 0.25000000000000 18.998 > 1 7 F 0.34812146357056 0.84812146357056 0.25000000000000 18.998 > 1 8 F 0.84812146357056 0.84812146357056 0.25000000000000 18.998 > 1 9 F 0.34812146357056 0.34812146357056 0.50000000000000 18.998 > 1 10 F 0.84812146357056 0.34812146357056 0.50000000000000 18.998 > 1 11 F 0.34812146357056 0.84812146357056 0.50000000000000 18.998 > 1 12 F 0.84812146357056 0.84812146357056 0.50000000000000 18.998 > 1 13 F 0.34812146357056 0.34812146357056 0.75000000000000 18.998 > 1 14 F 0.84812146357056 0.34812146357056 0.75000000000000 18.998 > 1 15 F 0.34812146357056 0.84812146357056 0.75000000000000 18.998 > 1 16 F 0.84812146357056 0.84812146357056 0.75000000000000 18.998 > 1 17 F 0.40187853642944 0.09812146357056 0.12500000000000 18.998 > 2 18 F 0.90187853642944 0.09812146357056 0.12500000000000 18.998 > 2 19 F 0.40187853642944 0.59812146357056 0.12500000000000 18.998 > 2 20 F 0.90187853642944 0.59812146357056 0.12500000000000 18.998 > 2 21 F 0.40187853642944 0.09812146357056 0.37500000000000 18.998 > 2 22 F 0.90187853642944 0.09812146357056 0.37500000000000 18.998 > 2 23 F 0.40187853642944 0.59812146357056 0.37500000000000 18.998 > 2 24 F 0.90187853642944 0.59812146357056 0.37500000000000 18.998 > 2 25 F 0.40187853642944 0.09812146357056 0.62500000000000 18.998 > 2 26 F 0.90187853642944 0.09812146357056 0.62500000000000 18.998 > 2 27 F 0.40187853642944 0.59812146357056 0.62500000000000 18.998 > 2 28 F 0.90187853642944 0.59812146357056 0.62500000000000 18.998 > 2 29 F 0.40187853642944 0.09812146357056 0.87500000000000 18.998 > 2 30 F 0.90187853642944 0.09812146357056 0.87500000000000 18.998 > 2 31 F 0.40187853642944 0.59812146357056 0.87500000000000 18.998 > 2 32 F 0.90187853642944 0.59812146357056 0.87500000000000 18.998 > 2 33 F 0.15187853642944 0.15187853642944 0.00000000000000 18.998 > 3 34 F 0.65187853642944 0.15187853642944 0.00000000000000 18.998 > 3 35 F 0.15187853642944 0.65187853642944 0.00000000000000 18.998 > 3 36 F 0.65187853642944 0.65187853642944 0.00000000000000 18.998 > 3 37 F 0.15187853642944 0.15187853642944 0.25000000000000 18.998 > 3 38 F 0.65187853642944 0.15187853642944 0.25000000000000 18.998 > 3 39 F 0.15187853642944 0.65187853642944 0.25000000000000 18.998 > 3 40 F 0.65187853642944 0.65187853642944 0.25000000000000 18.998 > 3 41 F 0.15187853642944 0.15187853642944 0.50000000000000 18.998 > 3 42 F 0.65187853642944 0.15187853642944 0.50000000000000 18.998 > 3 43 F 0.15187853642944 0.65187853642944 0.50000000000000 18.998 > 3 44 F 0.65187853642944 0.65187853642944 0.50000000000000 18.998 > 3 45 F 0.15187853642944 0.15187853642944 0.75000000000000 18.998 > 3 46 F 0.65187853642944 0.15187853642944 0.75000000000000 18.998 > 3 47 F 0.15187853642944 0.65187853642944 0.75000000000000 18.998 > 3 48 F 0.65187853642944 0.65187853642944 0.75000000000000 18.998 > 3 49 F 0.09812146357056 0.40187853642944 0.12500000000000 18.998 > 4 50 F 0.59812146357056 0.40187853642944 0.12500000000000 18.998 > 4 51 F 0.09812146357056 0.90187853642944 0.12500000000000 18.998 > 4 52 F 0.59812146357056 0.90187853642944 0.12500000000000 18.998 > 4 53 F 0.09812146357056 0.40187853642944 0.37500000000000 18.998 > 4 54 F 0.59812146357056 0.40187853642944 0.37500000000000 18.998 > 4 55 F 0.09812146357056 0.90187853642944 0.37500000000000 18.998 > 4 56 F 0.59812146357056 0.90187853642944 0.37500000000000 18.998 > 4 57 F 0.09812146357056 0.40187853642944 0.62500000000000 18.998 > 4 58 F 0.59812146357056 0.40187853642944 0.62500000000000 18.998 > 4 59 F 0.09812146357056 0.90187853642944 0.62500000000000 18.998 > 4 60 F 0.59812146357056 0.90187853642944 0.62500000000000 18.998 > 4 61 F 0.09812146357056 0.40187853642944 0.87500000000000 18.998 > 4 62 F 0.59812146357056 0.40187853642944 0.87500000000000 18.998 > 4 63 F 0.09812146357056 0.90187853642944 0.87500000000000 18.998 > 4 64 F 0.59812146357056 0.90187853642944 0.87500000000000 18.998 > 4 *65 Zn 0.25000000000000 0.25000000000000 0.12500000000000 65.380 > 5 66 Zn 0.75000000000000 0.25000000000000 0.12500000000000 65.380 > 5 67 Zn 0.25000000000000 0.75000000000000 0.12500000000000 65.380 > 5 68 Zn 0.75000000000000 0.75000000000000 0.12500000000000 65.380 > 5 69 Zn 0.25000000000000 0.25000000000000 0.37500000000000 65.380 > 5 70 Zn 0.75000000000000 0.25000000000000 0.37500000000000 65.380 > 5 71 Zn 0.25000000000000 0.75000000000000 0.37500000000000 65.380 > 5 72 Zn 0.75000000000000 0.75000000000000 0.37500000000000 65.380 > 5 73 Zn 0.25000000000000 0.25000000000000 0.62500000000000 65.380 > 5 74 Zn 0.75000000000000 0.25000000000000 0.62500000000000 65.380 > 5 75 Zn 0.25000000000000 0.75000000000000 0.62500000000000 65.380 > 5 76 Zn 0.75000000000000 0.75000000000000 0.62500000000000 65.380 > 5 77 Zn 0.25000000000000 0.25000000000000 0.87500000000000 65.380 > 5 78 Zn 0.75000000000000 0.25000000000000 0.87500000000000 65.380 > 5 79 Zn 0.25000000000000 0.75000000000000 0.87500000000000 65.380 > 5 80 Zn 0.75000000000000 0.75000000000000 0.87500000000000 65.380 > 5 81 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 6 82 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 6 83 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 6 84 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 6 85 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 6 86 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 6 87 Zn 0.00000000000000 0.50000000000000 0.25000000000000 65.380 > 6 88 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 6 89 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 6 90 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 6 91 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 6 92 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 6 93 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 6 94 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 6 95 Zn 0.00000000000000 0.50000000000000 0.75000000000000 65.380 > 6 96 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5364505 0.0000000 0.0000000 0.0000000 2.5364505 0.0000000 0.0000000 0.0000000 2.6418723 -------------------------- Born effective charges -------------------------- 1 F -1.1110619 -0.4074106 0.0000000 -0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 2 F -1.1110619 0.4074106 0.0000000 0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 3 F -1.1110619 -0.4074106 0.0000000 -0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 4 F -1.1110619 0.4074106 0.0000000 0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 5 Zn 2.2221238 -0.1577773 0.0000000 -0.1577773 2.2221238 0.0000000 0.0000000 0.0000000 2.4052043 6 Zn 2.2221238 0.1577773 0.0000000 0.1577773 2.2221238 0.0000000 0.0000000 0.0000000 2.4052043 ---------------------------------------------------------------------------- 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: 0.079 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.085 --------------------------------- 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 18:59:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:59:37]------------------------- 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 4.721137680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.721137680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.138314920000000 Atomic positions (fractional): 1 F 0.69624292714112 0.69624292714112 0.00000000000000 18.998 2 F 0.80375707285888 0.19624292714112 0.50000000000000 18.998 3 F 0.30375707285888 0.30375707285888 0.00000000000000 18.998 4 F 0.19624292714112 0.80375707285888 0.50000000000000 18.998 5 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 6 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.442275360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.442275360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.553259680000000 Atomic positions (fractional): 1 F 0.34812146357056 0.34812146357056 0.00000000000000 18.998 > 1 2 F 0.84812146357056 0.34812146357056 0.00000000000000 18.998 > 1 3 F 0.34812146357056 0.84812146357056 0.00000000000000 18.998 > 1 4 F 0.84812146357056 0.84812146357056 0.00000000000000 18.998 > 1 5 F 0.34812146357056 0.34812146357056 0.25000000000000 18.998 > 1 6 F 0.84812146357056 0.34812146357056 0.25000000000000 18.998 > 1 7 F 0.34812146357056 0.84812146357056 0.25000000000000 18.998 > 1 8 F 0.84812146357056 0.84812146357056 0.25000000000000 18.998 > 1 9 F 0.34812146357056 0.34812146357056 0.50000000000000 18.998 > 1 10 F 0.84812146357056 0.34812146357056 0.50000000000000 18.998 > 1 11 F 0.34812146357056 0.84812146357056 0.50000000000000 18.998 > 1 12 F 0.84812146357056 0.84812146357056 0.50000000000000 18.998 > 1 13 F 0.34812146357056 0.34812146357056 0.75000000000000 18.998 > 1 14 F 0.84812146357056 0.34812146357056 0.75000000000000 18.998 > 1 15 F 0.34812146357056 0.84812146357056 0.75000000000000 18.998 > 1 16 F 0.84812146357056 0.84812146357056 0.75000000000000 18.998 > 1 17 F 0.40187853642944 0.09812146357056 0.12500000000000 18.998 > 17 18 F 0.90187853642944 0.09812146357056 0.12500000000000 18.998 > 17 19 F 0.40187853642944 0.59812146357056 0.12500000000000 18.998 > 17 20 F 0.90187853642944 0.59812146357056 0.12500000000000 18.998 > 17 21 F 0.40187853642944 0.09812146357056 0.37500000000000 18.998 > 17 22 F 0.90187853642944 0.09812146357056 0.37500000000000 18.998 > 17 23 F 0.40187853642944 0.59812146357056 0.37500000000000 18.998 > 17 24 F 0.90187853642944 0.59812146357056 0.37500000000000 18.998 > 17 25 F 0.40187853642944 0.09812146357056 0.62500000000000 18.998 > 17 26 F 0.90187853642944 0.09812146357056 0.62500000000000 18.998 > 17 27 F 0.40187853642944 0.59812146357056 0.62500000000000 18.998 > 17 28 F 0.90187853642944 0.59812146357056 0.62500000000000 18.998 > 17 29 F 0.40187853642944 0.09812146357056 0.87500000000000 18.998 > 17 30 F 0.90187853642944 0.09812146357056 0.87500000000000 18.998 > 17 31 F 0.40187853642944 0.59812146357056 0.87500000000000 18.998 > 17 32 F 0.90187853642944 0.59812146357056 0.87500000000000 18.998 > 17 33 F 0.15187853642944 0.15187853642944 0.00000000000000 18.998 > 33 34 F 0.65187853642944 0.15187853642944 0.00000000000000 18.998 > 33 35 F 0.15187853642944 0.65187853642944 0.00000000000000 18.998 > 33 36 F 0.65187853642944 0.65187853642944 0.00000000000000 18.998 > 33 37 F 0.15187853642944 0.15187853642944 0.25000000000000 18.998 > 33 38 F 0.65187853642944 0.15187853642944 0.25000000000000 18.998 > 33 39 F 0.15187853642944 0.65187853642944 0.25000000000000 18.998 > 33 40 F 0.65187853642944 0.65187853642944 0.25000000000000 18.998 > 33 41 F 0.15187853642944 0.15187853642944 0.50000000000000 18.998 > 33 42 F 0.65187853642944 0.15187853642944 0.50000000000000 18.998 > 33 43 F 0.15187853642944 0.65187853642944 0.50000000000000 18.998 > 33 44 F 0.65187853642944 0.65187853642944 0.50000000000000 18.998 > 33 45 F 0.15187853642944 0.15187853642944 0.75000000000000 18.998 > 33 46 F 0.65187853642944 0.15187853642944 0.75000000000000 18.998 > 33 47 F 0.15187853642944 0.65187853642944 0.75000000000000 18.998 > 33 48 F 0.65187853642944 0.65187853642944 0.75000000000000 18.998 > 33 49 F 0.09812146357056 0.40187853642944 0.12500000000000 18.998 > 49 50 F 0.59812146357056 0.40187853642944 0.12500000000000 18.998 > 49 51 F 0.09812146357056 0.90187853642944 0.12500000000000 18.998 > 49 52 F 0.59812146357056 0.90187853642944 0.12500000000000 18.998 > 49 53 F 0.09812146357056 0.40187853642944 0.37500000000000 18.998 > 49 54 F 0.59812146357056 0.40187853642944 0.37500000000000 18.998 > 49 55 F 0.09812146357056 0.90187853642944 0.37500000000000 18.998 > 49 56 F 0.59812146357056 0.90187853642944 0.37500000000000 18.998 > 49 57 F 0.09812146357056 0.40187853642944 0.62500000000000 18.998 > 49 58 F 0.59812146357056 0.40187853642944 0.62500000000000 18.998 > 49 59 F 0.09812146357056 0.90187853642944 0.62500000000000 18.998 > 49 60 F 0.59812146357056 0.90187853642944 0.62500000000000 18.998 > 49 61 F 0.09812146357056 0.40187853642944 0.87500000000000 18.998 > 49 62 F 0.59812146357056 0.40187853642944 0.87500000000000 18.998 > 49 63 F 0.09812146357056 0.90187853642944 0.87500000000000 18.998 > 49 64 F 0.59812146357056 0.90187853642944 0.87500000000000 18.998 > 49 65 Zn 0.25000000000000 0.25000000000000 0.12500000000000 65.380 > 65 66 Zn 0.75000000000000 0.25000000000000 0.12500000000000 65.380 > 65 67 Zn 0.25000000000000 0.75000000000000 0.12500000000000 65.380 > 65 68 Zn 0.75000000000000 0.75000000000000 0.12500000000000 65.380 > 65 69 Zn 0.25000000000000 0.25000000000000 0.37500000000000 65.380 > 65 70 Zn 0.75000000000000 0.25000000000000 0.37500000000000 65.380 > 65 71 Zn 0.25000000000000 0.75000000000000 0.37500000000000 65.380 > 65 72 Zn 0.75000000000000 0.75000000000000 0.37500000000000 65.380 > 65 73 Zn 0.25000000000000 0.25000000000000 0.62500000000000 65.380 > 65 74 Zn 0.75000000000000 0.25000000000000 0.62500000000000 65.380 > 65 75 Zn 0.25000000000000 0.75000000000000 0.62500000000000 65.380 > 65 76 Zn 0.75000000000000 0.75000000000000 0.62500000000000 65.380 > 65 77 Zn 0.25000000000000 0.25000000000000 0.87500000000000 65.380 > 65 78 Zn 0.75000000000000 0.25000000000000 0.87500000000000 65.380 > 65 79 Zn 0.25000000000000 0.75000000000000 0.87500000000000 65.380 > 65 80 Zn 0.75000000000000 0.75000000000000 0.87500000000000 65.380 > 65 81 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 81 82 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 81 83 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 81 84 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 81 85 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 81 86 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 81 87 Zn 0.00000000000000 0.50000000000000 0.25000000000000 65.380 > 81 88 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 81 89 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 81 90 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 81 91 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 81 92 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 81 93 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 81 94 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 81 95 Zn 0.00000000000000 0.50000000000000 0.75000000000000 65.380 > 81 96 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5364505 0.0000000 0.0000000 0.0000000 2.5364505 0.0000000 0.0000000 0.0000000 2.6418723 -------------------------- Born effective charges -------------------------- 1 F -1.1110619 -0.4074106 0.0000000 -0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 2 F -1.1110619 0.4074106 0.0000000 0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 3 F -1.1110619 -0.4074106 0.0000000 -0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 4 F -1.1110619 0.4074106 0.0000000 0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 5 Zn 2.2221238 -0.1577773 0.0000000 -0.1577773 2.2221238 0.0000000 0.0000000 0.0000000 2.4052043 6 Zn 2.2221238 0.1577773 0.0000000 0.1577773 2.2221238 0.0000000 0.0000000 0.0000000 2.4052043 ---------------------------------------------------------------------------- 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: 0.00000003 (xzy) 0.00000003 (xzy) 0.00000003 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 18:59:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:59:41]------------------------- 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 4.721137680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.721137680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.138314920000000 Atomic positions (fractional): 1 F 0.69624292714112 0.69624292714112 0.00000000000000 18.998 2 F 0.80375707285888 0.19624292714112 0.50000000000000 18.998 3 F 0.30375707285888 0.30375707285888 0.00000000000000 18.998 4 F 0.19624292714112 0.80375707285888 0.50000000000000 18.998 5 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 6 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.442275360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.442275360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.553259680000000 Atomic positions (fractional): 1 F 0.34812146357056 0.34812146357056 0.00000000000000 18.998 > 1 2 F 0.84812146357056 0.34812146357056 0.00000000000000 18.998 > 1 3 F 0.34812146357056 0.84812146357056 0.00000000000000 18.998 > 1 4 F 0.84812146357056 0.84812146357056 0.00000000000000 18.998 > 1 5 F 0.34812146357056 0.34812146357056 0.25000000000000 18.998 > 1 6 F 0.84812146357056 0.34812146357056 0.25000000000000 18.998 > 1 7 F 0.34812146357056 0.84812146357056 0.25000000000000 18.998 > 1 8 F 0.84812146357056 0.84812146357056 0.25000000000000 18.998 > 1 9 F 0.34812146357056 0.34812146357056 0.50000000000000 18.998 > 1 10 F 0.84812146357056 0.34812146357056 0.50000000000000 18.998 > 1 11 F 0.34812146357056 0.84812146357056 0.50000000000000 18.998 > 1 12 F 0.84812146357056 0.84812146357056 0.50000000000000 18.998 > 1 13 F 0.34812146357056 0.34812146357056 0.75000000000000 18.998 > 1 14 F 0.84812146357056 0.34812146357056 0.75000000000000 18.998 > 1 15 F 0.34812146357056 0.84812146357056 0.75000000000000 18.998 > 1 16 F 0.84812146357056 0.84812146357056 0.75000000000000 18.998 > 1 17 F 0.40187853642944 0.09812146357056 0.12500000000000 18.998 > 17 18 F 0.90187853642944 0.09812146357056 0.12500000000000 18.998 > 17 19 F 0.40187853642944 0.59812146357056 0.12500000000000 18.998 > 17 20 F 0.90187853642944 0.59812146357056 0.12500000000000 18.998 > 17 21 F 0.40187853642944 0.09812146357056 0.37500000000000 18.998 > 17 22 F 0.90187853642944 0.09812146357056 0.37500000000000 18.998 > 17 23 F 0.40187853642944 0.59812146357056 0.37500000000000 18.998 > 17 24 F 0.90187853642944 0.59812146357056 0.37500000000000 18.998 > 17 25 F 0.40187853642944 0.09812146357056 0.62500000000000 18.998 > 17 26 F 0.90187853642944 0.09812146357056 0.62500000000000 18.998 > 17 27 F 0.40187853642944 0.59812146357056 0.62500000000000 18.998 > 17 28 F 0.90187853642944 0.59812146357056 0.62500000000000 18.998 > 17 29 F 0.40187853642944 0.09812146357056 0.87500000000000 18.998 > 17 30 F 0.90187853642944 0.09812146357056 0.87500000000000 18.998 > 17 31 F 0.40187853642944 0.59812146357056 0.87500000000000 18.998 > 17 32 F 0.90187853642944 0.59812146357056 0.87500000000000 18.998 > 17 33 F 0.15187853642944 0.15187853642944 0.00000000000000 18.998 > 33 34 F 0.65187853642944 0.15187853642944 0.00000000000000 18.998 > 33 35 F 0.15187853642944 0.65187853642944 0.00000000000000 18.998 > 33 36 F 0.65187853642944 0.65187853642944 0.00000000000000 18.998 > 33 37 F 0.15187853642944 0.15187853642944 0.25000000000000 18.998 > 33 38 F 0.65187853642944 0.15187853642944 0.25000000000000 18.998 > 33 39 F 0.15187853642944 0.65187853642944 0.25000000000000 18.998 > 33 40 F 0.65187853642944 0.65187853642944 0.25000000000000 18.998 > 33 41 F 0.15187853642944 0.15187853642944 0.50000000000000 18.998 > 33 42 F 0.65187853642944 0.15187853642944 0.50000000000000 18.998 > 33 43 F 0.15187853642944 0.65187853642944 0.50000000000000 18.998 > 33 44 F 0.65187853642944 0.65187853642944 0.50000000000000 18.998 > 33 45 F 0.15187853642944 0.15187853642944 0.75000000000000 18.998 > 33 46 F 0.65187853642944 0.15187853642944 0.75000000000000 18.998 > 33 47 F 0.15187853642944 0.65187853642944 0.75000000000000 18.998 > 33 48 F 0.65187853642944 0.65187853642944 0.75000000000000 18.998 > 33 49 F 0.09812146357056 0.40187853642944 0.12500000000000 18.998 > 49 50 F 0.59812146357056 0.40187853642944 0.12500000000000 18.998 > 49 51 F 0.09812146357056 0.90187853642944 0.12500000000000 18.998 > 49 52 F 0.59812146357056 0.90187853642944 0.12500000000000 18.998 > 49 53 F 0.09812146357056 0.40187853642944 0.37500000000000 18.998 > 49 54 F 0.59812146357056 0.40187853642944 0.37500000000000 18.998 > 49 55 F 0.09812146357056 0.90187853642944 0.37500000000000 18.998 > 49 56 F 0.59812146357056 0.90187853642944 0.37500000000000 18.998 > 49 57 F 0.09812146357056 0.40187853642944 0.62500000000000 18.998 > 49 58 F 0.59812146357056 0.40187853642944 0.62500000000000 18.998 > 49 59 F 0.09812146357056 0.90187853642944 0.62500000000000 18.998 > 49 60 F 0.59812146357056 0.90187853642944 0.62500000000000 18.998 > 49 61 F 0.09812146357056 0.40187853642944 0.87500000000000 18.998 > 49 62 F 0.59812146357056 0.40187853642944 0.87500000000000 18.998 > 49 63 F 0.09812146357056 0.90187853642944 0.87500000000000 18.998 > 49 64 F 0.59812146357056 0.90187853642944 0.87500000000000 18.998 > 49 65 Zn 0.25000000000000 0.25000000000000 0.12500000000000 65.380 > 65 66 Zn 0.75000000000000 0.25000000000000 0.12500000000000 65.380 > 65 67 Zn 0.25000000000000 0.75000000000000 0.12500000000000 65.380 > 65 68 Zn 0.75000000000000 0.75000000000000 0.12500000000000 65.380 > 65 69 Zn 0.25000000000000 0.25000000000000 0.37500000000000 65.380 > 65 70 Zn 0.75000000000000 0.25000000000000 0.37500000000000 65.380 > 65 71 Zn 0.25000000000000 0.75000000000000 0.37500000000000 65.380 > 65 72 Zn 0.75000000000000 0.75000000000000 0.37500000000000 65.380 > 65 73 Zn 0.25000000000000 0.25000000000000 0.62500000000000 65.380 > 65 74 Zn 0.75000000000000 0.25000000000000 0.62500000000000 65.380 > 65 75 Zn 0.25000000000000 0.75000000000000 0.62500000000000 65.380 > 65 76 Zn 0.75000000000000 0.75000000000000 0.62500000000000 65.380 > 65 77 Zn 0.25000000000000 0.25000000000000 0.87500000000000 65.380 > 65 78 Zn 0.75000000000000 0.25000000000000 0.87500000000000 65.380 > 65 79 Zn 0.25000000000000 0.75000000000000 0.87500000000000 65.380 > 65 80 Zn 0.75000000000000 0.75000000000000 0.87500000000000 65.380 > 65 81 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 81 82 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 81 83 Zn 0.00000000000000 0.50000000000000 0.00000000000000 65.380 > 81 84 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 81 85 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 81 86 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 81 87 Zn 0.00000000000000 0.50000000000000 0.25000000000000 65.380 > 81 88 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 81 89 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 81 90 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 81 91 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 81 92 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 81 93 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 81 94 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 81 95 Zn 0.00000000000000 0.50000000000000 0.75000000000000 65.380 > 81 96 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5364505 0.0000000 0.0000000 0.0000000 2.5364505 0.0000000 0.0000000 0.0000000 2.6418723 -------------------------- Born effective charges -------------------------- 1 F -1.1110619 -0.4074106 0.0000000 -0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 2 F -1.1110619 0.4074106 0.0000000 0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 3 F -1.1110619 -0.4074106 0.0000000 -0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 4 F -1.1110619 0.4074106 0.0000000 0.4074106 -1.1110619 0.0000000 0.0000000 0.0000000 -1.2026021 5 Zn 2.2221238 -0.1577773 0.0000000 -0.1577773 2.2221238 0.0000000 0.0000000 0.0000000 2.4052043 6 Zn 2.2221238 0.1577773 0.0000000 0.1577773 2.2221238 0.0000000 0.0000000 0.0000000 2.4052043 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xzy) 0.00000003 (xzy) 0.00000003 (xyz) 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: 1.01, Number of G-points: 315, Lambda: 0.17 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 5.98e-04 5.98e-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 1.754 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 10.124 ( 0.000 0.000 0.000) 0.000 10.786 ( 0.000 0.000 0.000) 0.000 11.511 ( 0.000 0.000 0.000) 0.000 11.511 ( 0.000 0.000 0.000) 0.000 15.199 ( 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 5.98e-04 5.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 26.326 0.000 0.000) 26.326 0.777 ( 39.930 0.000 0.000) 39.930 0.989 ( 50.978 0.000 0.000) 50.978 1.889 ( 13.244 0.000 0.000) 13.244 3.427 ( -3.326 0.000 0.000) 3.326 4.803 ( 0.713 0.000 0.000) 0.713 6.511 ( -4.680 0.000 0.000) 4.680 6.900 ( -14.993 0.000 0.000) 14.993 7.338 ( -0.918 0.000 0.000) 0.918 7.342 ( -0.478 0.000 0.000) 0.478 7.365 ( 6.718 0.000 0.000) 6.718 7.453 ( -4.339 0.000 0.000) 4.339 9.060 ( 4.910 0.000 0.000) 4.910 10.157 ( 3.359 0.000 0.000) 3.359 10.757 ( -3.001 0.000 0.000) 3.001 11.468 ( -4.357 0.000 0.000) 4.357 14.847 ( 1.250 0.000 0.000) 1.250 15.199 ( -0.049 0.000 0.000) 0.049 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 25.385 0.000 0.000) 25.385 1.528 ( 37.822 0.000 0.000) 37.822 1.954 ( 48.868 0.000 0.000) 48.868 2.223 ( 20.538 0.000 0.000) 20.538 3.331 ( -6.651 0.000 0.000) 6.651 4.824 ( 1.544 0.000 0.000) 1.544 6.374 ( -9.602 0.000 0.000) 9.602 6.574 ( -18.702 0.000 0.000) 18.702 7.315 ( -1.319 0.000 0.000) 1.319 7.329 ( -0.850 0.000 0.000) 0.850 7.342 ( -6.678 0.000 0.000) 6.678 7.450 ( 1.953 0.000 0.000) 1.953 9.195 ( 8.894 0.000 0.000) 8.894 10.248 ( 5.898 0.000 0.000) 5.898 10.671 ( -5.870 0.000 0.000) 5.870 11.351 ( -7.517 0.000 0.000) 7.517 14.881 ( 2.306 0.000 0.000) 2.306 15.196 ( -0.365 0.000 0.000) 0.365 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 23.847 0.000 0.000) 23.847 2.218 ( 33.310 0.000 0.000) 33.310 2.613 ( 20.793 0.000 0.000) 20.793 2.887 ( 45.981 0.000 0.000) 45.981 3.171 ( -9.963 0.000 0.000) 9.963 4.866 ( 2.955 0.000 0.000) 2.955 6.140 ( -14.684 0.000 0.000) 14.684 6.181 ( -22.125 0.000 0.000) 22.125 7.217 ( -5.767 0.000 0.000) 5.767 7.291 ( -1.129 0.000 0.000) 1.129 7.311 ( -1.026 0.000 0.000) 1.026 7.440 ( -2.927 0.000 0.000) 2.927 9.394 ( 11.543 0.000 0.000) 11.543 10.377 ( 7.354 0.000 0.000) 7.354 10.532 ( -8.467 0.000 0.000) 8.467 11.190 ( -8.949 0.000 0.000) 8.949 14.933 ( 3.014 0.000 0.000) 3.014 15.183 ( -1.007 0.000 0.000) 1.007 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 21.766 0.000 0.000) 21.766 2.784 ( 24.511 0.000 0.000) 24.511 2.948 ( -13.217 0.000 0.000) 13.217 2.968 ( 15.382 0.000 0.000) 15.382 3.738 ( 42.004 0.000 0.000) 42.004 4.949 ( 6.073 0.000 0.000) 6.073 5.720 ( -25.816 0.000 0.000) 25.816 5.817 ( -18.397 0.000 0.000) 18.397 7.138 ( -2.083 0.000 0.000) 2.083 7.274 ( -0.578 0.000 0.000) 0.578 7.291 ( -0.951 0.000 0.000) 0.951 7.349 ( -6.063 0.000 0.000) 6.063 9.631 ( 12.866 0.000 0.000) 12.866 10.348 ( -10.640 0.000 0.000) 10.640 10.526 ( 7.984 0.000 0.000) 7.984 11.015 ( -9.031 0.000 0.000) 9.031 14.995 ( 3.292 0.000 0.000) 3.292 15.156 ( -1.827 0.000 0.000) 1.827 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 19.228 0.000 0.000) 19.228 2.663 ( -16.340 0.000 0.000) 16.340 3.125 ( 10.236 0.000 0.000) 10.236 3.172 ( 4.914 0.000 0.000) 4.914 4.495 ( 36.331 0.000 0.000) 36.331 5.061 ( -7.380 0.000 0.000) 7.380 5.240 ( -10.914 0.000 0.000) 10.914 5.459 ( -17.826 0.000 0.000) 17.826 7.143 ( 2.546 0.000 0.000) 2.546 7.228 ( -5.893 0.000 0.000) 5.893 7.269 ( 0.068 0.000 0.000) 0.068 7.276 ( -0.616 0.000 0.000) 0.616 9.882 ( 13.027 0.000 0.000) 13.027 10.126 ( -12.221 0.000 0.000) 12.221 10.683 ( 8.269 0.000 0.000) 8.269 10.845 ( -8.614 0.000 0.000) 8.614 15.057 ( 3.133 0.000 0.000) 3.133 15.113 ( -2.601 0.000 0.000) 2.601 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 12.338 12.338 0.000) 17.449 0.719 ( 18.313 18.313 0.000) 25.899 1.696 ( 42.852 42.852 0.000) 60.601 2.015 ( 12.499 12.499 0.000) 17.677 3.397 ( -3.144 -3.144 0.000) 4.447 4.805 ( 0.356 0.356 0.000) 0.503 6.395 ( -9.122 -9.122 0.000) 12.900 6.822 ( -9.094 -9.094 0.000) 12.860 7.318 ( -1.246 -1.246 0.000) 1.762 7.351 ( 0.197 0.197 0.000) 0.278 7.353 ( -6.176 -6.176 0.000) 8.734 7.506 ( 8.164 8.164 0.000) 11.546 9.104 ( 4.477 4.477 0.000) 6.331 10.191 ( 3.466 3.466 0.000) 4.901 10.728 ( -2.940 -2.940 0.000) 4.158 11.502 ( -0.400 -0.400 0.000) 0.566 14.724 ( -4.520 -4.520 0.000) 6.392 15.262 ( 1.840 1.840 0.000) 2.602 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 39.233 -23.269 0.000) 45.614 1.122 ( 22.315 10.940 0.000) 24.852 2.331 ( 19.331 11.300 0.000) 22.391 2.517 ( 41.721 37.476 0.000) 56.081 3.306 ( -6.301 -2.614 0.000) 6.822 4.819 ( 1.211 -0.445 0.000) 1.290 6.166 ( -15.340 -16.853 0.000) 22.789 6.585 ( -14.363 -2.855 0.000) 14.644 7.240 ( -5.109 -5.504 0.000) 7.510 7.294 ( -1.170 -1.233 0.000) 1.700 7.348 ( -0.504 1.023 0.000) 1.140 7.620 ( 3.140 11.505 0.000) 11.926 9.228 ( 8.229 3.381 0.000) 8.897 10.285 ( 6.097 3.770 0.000) 7.168 10.644 ( -5.744 -2.753 0.000) 6.369 11.426 ( -6.748 5.583 0.000) 8.758 14.709 ( 1.916 -11.880 0.000) 12.033 15.261 ( -1.410 2.776 0.000) 3.114 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 22.178 6.895 0.000) 23.225 1.853 ( 38.931 -26.002 0.000) 46.816 2.717 ( 19.803 9.956 0.000) 22.165 3.154 ( -9.464 -1.767 0.000) 9.627 3.282 ( 37.016 29.890 0.000) 47.577 4.858 ( 3.179 -0.880 0.000) 3.298 5.799 ( -22.351 -23.339 0.000) 32.316 6.293 ( -15.850 0.698 0.000) 15.865 7.164 ( -2.597 -2.016 0.000) 3.287 7.276 ( -0.706 -0.787 0.000) 1.057 7.333 ( -1.003 1.514 0.000) 1.816 7.623 ( -2.756 14.353 0.000) 14.615 9.413 ( 10.850 2.026 0.000) 11.038 10.419 ( 7.615 4.223 0.000) 8.707 10.509 ( -8.268 -2.426 0.000) 8.616 11.268 ( -9.191 7.157 0.000) 11.649 14.773 ( 4.273 -12.997 0.000) 13.682 15.217 ( -2.962 0.849 0.000) 3.081 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 20.625 4.285 0.000) 21.066 2.554 ( 32.871 -20.151 0.000) 38.556 2.942 ( -12.589 -0.648 0.000) 12.606 3.057 ( 14.435 8.685 0.000) 16.846 3.914 ( 28.051 15.139 0.000) 31.876 4.964 ( 8.254 1.051 0.000) 8.320 5.330 ( -25.264 -26.993 0.000) 36.971 5.971 ( -17.752 3.674 0.000) 18.128 7.150 ( 1.400 3.064 0.000) 3.368 7.268 ( -0.056 -0.102 0.000) 0.117 7.311 ( -1.182 1.564 0.000) 1.960 7.522 ( -7.271 15.075 0.000) 16.737 9.638 ( 12.253 0.723 0.000) 12.275 10.329 ( -10.355 -1.941 0.000) 10.536 10.573 ( 8.291 4.771 0.000) 9.566 11.086 ( -9.514 6.888 0.000) 11.746 14.865 ( 5.137 -11.428 0.000) 12.529 15.149 ( -4.057 -2.202 0.000) 4.616 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 18.333 2.324 0.000) 18.479 2.670 ( -15.591 0.713 0.000) 15.607 3.064 ( 18.440 -7.145 0.000) 19.775 3.224 ( 1.472 4.746 0.000) 4.969 4.373 ( 21.334 -8.671 0.000) 23.029 4.808 ( -24.230 -23.746 0.000) 33.925 5.246 ( 16.847 5.136 0.000) 17.613 5.610 ( -19.495 6.577 0.000) 20.574 7.221 ( 5.879 8.519 0.000) 10.351 7.274 ( 0.574 0.624 0.000) 0.847 7.289 ( -1.022 1.227 0.000) 1.597 7.364 ( -8.475 13.012 0.000) 15.529 9.878 ( 12.529 -0.387 0.000) 12.535 10.114 ( -11.836 -1.271 0.000) 11.904 10.736 ( 8.637 5.405 0.000) 10.189 10.906 ( -9.066 6.141 0.000) 10.951 14.966 ( 5.239 -8.743 0.000) 10.192 15.063 ( -4.836 -5.548 0.000) 7.359 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 11.376 11.376 0.000) 16.088 1.395 ( 16.610 16.610 0.000) 23.491 2.618 ( 17.709 17.709 0.000) 25.044 3.230 ( -5.279 -5.279 0.000) 7.466 3.240 ( 36.249 36.249 0.000) 51.263 4.811 ( -0.187 -0.187 0.000) 0.265 5.780 ( -23.035 -23.035 0.000) 32.576 6.450 ( -10.233 -10.233 0.000) 14.471 7.170 ( -1.629 -1.629 0.000) 2.303 7.275 ( -0.731 -0.731 0.000) 1.034 7.361 ( 0.330 0.330 0.000) 0.467 7.813 ( 7.628 7.628 0.000) 10.788 9.323 ( 6.453 6.453 0.000) 9.127 10.387 ( 6.645 6.645 0.000) 9.397 10.566 ( -5.356 -5.356 0.000) 7.575 11.485 ( -0.428 -0.428 0.000) 0.606 14.542 ( -4.680 -4.680 0.000) 6.619 15.261 ( -2.476 -2.476 0.000) 3.501 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 33.544 -15.677 0.000) 37.027 1.735 ( 18.186 11.521 0.000) 21.528 2.977 ( 18.561 16.346 0.000) 24.733 3.102 ( -8.014 -3.659 0.000) 8.810 3.869 ( 27.561 29.559 0.000) 40.415 4.828 ( 2.871 -2.263 0.000) 3.656 5.287 ( -27.743 -29.364 0.000) 40.397 6.220 ( -13.218 -7.379 0.000) 15.138 7.180 ( 2.775 3.798 0.000) 4.704 7.268 ( -0.004 -0.026 0.000) 0.027 7.360 ( -0.488 1.174 0.000) 1.271 7.896 ( 0.784 12.693 0.000) 12.717 9.472 ( 8.897 4.085 0.000) 9.789 10.440 ( -7.656 -4.683 0.000) 8.975 10.533 ( 8.313 7.426 0.000) 11.147 11.411 ( -6.702 6.297 0.000) 9.196 14.524 ( 2.307 -11.330 0.000) 11.562 15.179 ( -5.684 -4.712 0.000) 7.383 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 17.586 7.404 0.000) 19.081 2.121 ( 37.495 -22.751 0.000) 43.858 2.921 ( -10.777 -1.535 0.000) 10.886 3.285 ( 11.577 14.429 0.000) 18.500 4.226 ( 8.411 15.317 0.000) 17.475 4.746 ( -26.640 -31.003 0.000) 40.876 4.982 ( 13.752 -0.967 0.000) 13.786 5.949 ( -14.887 -5.065 0.000) 15.725 7.275 ( 0.706 0.753 0.000) 1.032 7.280 ( 7.544 10.272 0.000) 12.745 7.344 ( -1.116 1.703 0.000) 2.036 7.843 ( -6.051 16.701 0.000) 17.763 9.660 ( 10.458 1.645 0.000) 10.586 10.274 ( -9.484 -3.685 0.000) 10.175 10.702 ( 9.070 8.316 0.000) 12.305 11.251 ( -9.352 9.366 0.000) 13.236 14.610 ( 6.127 -13.946 0.000) 15.232 15.051 ( -7.407 -7.821 0.000) 10.772 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 15.830 3.973 0.000) 16.321 2.688 ( -13.452 1.017 0.000) 13.490 2.817 ( 33.338 -18.456 0.000) 38.106 3.302 ( -13.145 0.671 0.000) 13.162 4.266 ( -0.014 -4.854 0.000) 4.854 4.360 ( -11.311 -15.825 0.000) 19.452 5.309 ( 18.228 0.407 0.000) 18.233 5.647 ( -16.594 -2.329 0.000) 16.756 7.294 ( 1.211 1.412 0.000) 1.860 7.319 ( -1.370 1.773 0.000) 2.240 7.462 ( 10.980 15.821 0.000) 19.258 7.677 ( -10.593 18.131 0.000) 20.999 9.869 ( 11.034 -0.533 0.000) 11.047 10.079 ( -10.666 -2.314 0.000) 10.914 10.880 ( 9.451 9.197 0.000) 13.188 11.065 ( -9.733 9.809 0.000) 13.819 14.747 ( 7.764 -13.361 0.000) 15.453 14.901 ( -8.083 -10.982 0.000) 13.636 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 9.840 9.840 0.000) 13.916 1.980 ( 13.477 13.477 0.000) 19.059 3.012 ( -5.739 -5.739 0.000) 8.116 3.316 ( 18.000 18.000 0.000) 25.456 4.355 ( 15.737 15.737 0.000) 22.256 4.706 ( -27.005 -27.005 0.000) 38.191 4.780 ( -1.489 -1.489 0.000) 2.106 6.037 ( -11.124 -11.124 0.000) 15.732 7.275 ( 0.780 0.780 0.000) 1.103 7.308 ( 9.375 9.375 0.000) 13.259 7.375 ( 0.359 0.359 0.000) 0.508 8.082 ( 6.178 6.178 0.000) 8.737 9.570 ( 6.051 6.051 0.000) 8.557 10.331 ( -6.595 -6.595 0.000) 9.327 10.696 ( 9.246 9.246 0.000) 13.075 11.474 ( -0.078 -0.078 0.000) 0.111 14.371 ( -4.143 -4.143 0.000) 5.859 15.048 ( -8.612 -8.612 0.000) 12.179 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 29.312 -13.185 0.000) 32.141 2.241 ( 13.438 8.868 0.000) 16.101 2.880 ( -7.968 -2.793 0.000) 8.443 3.579 ( 0.985 14.021 0.000) 14.055 4.056 ( -18.732 -31.511 0.000) 36.658 4.564 ( -6.154 12.261 0.000) 13.719 4.942 ( 16.799 -3.078 0.000) 17.079 5.805 ( -12.849 -9.389 0.000) 15.914 7.296 ( 1.373 1.451 0.000) 1.998 7.373 ( -0.581 1.210 0.000) 1.342 7.531 ( 13.271 15.205 0.000) 20.182 8.124 ( -1.797 11.797 0.000) 11.933 9.703 ( 7.644 2.835 0.000) 8.153 10.189 ( -7.985 -5.034 0.000) 9.439 10.882 ( 9.964 10.159 0.000) 14.229 11.411 ( -6.061 6.477 0.000) 8.871 14.365 ( 3.214 -10.593 0.000) 11.070 14.861 ( -10.424 -11.517 0.000) 15.534 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 36.489 -22.764 0.000) 43.007 2.489 ( 12.154 4.587 0.000) 12.991 2.705 ( -10.196 0.682 0.000) 10.219 3.114 ( -36.054 -21.120 0.000) 41.784 4.130 ( 13.664 1.635 0.000) 13.762 4.384 ( -11.774 7.377 0.000) 13.894 5.262 ( 15.681 -4.845 0.000) 16.412 5.546 ( -13.982 -7.478 0.000) 15.856 7.325 ( 1.577 1.821 0.000) 2.409 7.354 ( -1.298 1.750 0.000) 2.179 7.794 ( 13.370 17.700 0.000) 22.182 8.017 ( -9.063 16.181 0.000) 18.546 9.860 ( 8.573 -0.260 0.000) 8.577 10.028 ( -8.683 -2.923 0.000) 9.162 11.075 ( 9.977 10.657 0.000) 14.599 11.261 ( -9.077 9.895 0.000) 13.428 14.478 ( 8.050 -13.721 0.000) 15.908 14.659 ( -10.288 -13.605 0.000) 17.057 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 7.184 7.184 0.000) 10.160 2.414 ( 8.842 8.842 0.000) 12.505 2.812 ( -4.394 -4.394 0.000) 6.214 3.295 ( -35.586 -35.586 0.000) 50.326 3.973 ( 15.775 15.775 0.000) 22.309 4.703 ( -2.284 -2.284 0.000) 3.229 4.943 ( 7.010 7.010 0.000) 9.914 5.603 ( -11.293 -11.293 0.000) 15.971 7.328 ( 1.745 1.745 0.000) 2.468 7.387 ( 0.274 0.274 0.000) 0.387 7.837 ( 15.817 15.817 0.000) 22.369 8.279 ( 3.981 3.981 0.000) 5.630 9.770 ( 4.152 4.152 0.000) 5.872 10.084 ( -5.811 -5.811 0.000) 8.218 11.083 ( 10.449 10.449 0.000) 14.778 11.479 ( 0.253 0.253 0.000) 0.357 14.229 ( -3.117 -3.117 0.000) 4.408 14.626 ( -12.462 -12.462 0.000) 17.624 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 25.560 -15.310 0.000) 29.795 2.575 ( 7.778 4.194 0.000) 8.836 2.607 ( -34.444 -28.163 0.000) 44.492 2.710 ( -6.158 -0.277 0.000) 6.164 4.280 ( 15.257 11.194 0.000) 18.924 4.544 ( -11.798 8.053 0.000) 14.284 5.146 ( 11.905 -6.305 0.000) 13.471 5.377 ( -11.955 -9.635 0.000) 15.355 7.360 ( 1.505 1.673 0.000) 2.251 7.383 ( -0.756 1.130 0.000) 1.360 8.110 ( 11.872 14.352 0.000) 18.626 8.273 ( -4.602 9.870 0.000) 10.890 9.861 ( 5.279 0.464 0.000) 5.300 9.970 ( -5.892 -2.957 0.000) 6.593 11.275 ( 9.197 9.663 0.000) 13.340 11.423 ( -5.725 6.362 0.000) 8.559 14.249 ( 4.904 -9.353 0.000) 10.561 14.401 ( -10.348 -12.496 0.000) 16.225 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 2.747 2.747 0.000) 3.885 2.120 ( -20.554 -20.554 0.000) 29.068 2.646 ( 3.082 3.082 0.000) 4.359 2.692 ( -1.645 -1.645 0.000) 2.326 4.500 ( 10.491 10.491 0.000) 14.837 4.629 ( -1.185 -1.185 0.000) 1.676 5.078 ( 1.199 1.199 0.000) 1.695 5.192 ( -8.951 -8.951 0.000) 12.659 7.386 ( 0.961 0.961 0.000) 1.359 7.395 ( 0.102 0.102 0.000) 0.144 8.324 ( 7.375 7.375 0.000) 10.430 8.383 ( 1.369 1.369 0.000) 1.936 9.880 ( 1.466 1.466 0.000) 2.073 9.918 ( -2.410 -2.410 0.000) 3.408 11.430 ( 5.962 5.962 0.000) 8.431 11.488 ( 0.172 0.172 0.000) 0.244 14.143 ( -1.205 -1.205 0.000) 1.704 14.204 ( -7.244 -7.244 0.000) 10.245 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -0.000 0.000 26.213) 26.213 0.523 ( 0.000 -0.000 26.213) 26.213 1.267 ( -0.000 -0.000 63.092) 63.092 1.861 ( 0.000 0.000 10.420) 10.420 3.687 ( 0.000 0.000 21.982) 21.982 4.770 ( 0.000 0.000 -2.444) 2.444 4.770 ( 0.000 0.000 -2.444) 2.444 7.069 ( -0.000 -0.000 -3.623) 3.623 7.175 ( -0.000 -0.000 -6.177) 6.177 7.175 ( 0.000 0.000 -6.177) 6.177 7.489 ( 0.000 0.000 13.682) 13.682 7.489 ( 0.000 0.000 13.682) 13.682 10.159 ( 0.000 0.000 3.428) 3.428 10.797 ( -0.000 -0.000 1.087) 1.087 11.483 ( 0.000 0.000 -2.760) 2.760 11.483 ( 0.000 0.000 -2.760) 2.760 13.995 ( 0.000 0.000 -2.085) 2.085 15.166 ( 0.000 0.000 -3.312) 3.312 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 17.814 0.000 17.881) 25.240 0.921 ( 32.018 0.000 13.437) 34.723 1.614 ( 31.176 0.000 49.681) 58.652 1.981 ( 11.912 0.000 9.095) 14.987 3.657 ( -3.184 0.000 22.026) 22.255 4.777 ( 0.658 0.000 -2.481) 2.567 5.532 ( 45.402 0.000 -42.839) 62.422 6.849 ( -15.311 0.000 -4.875) 16.068 7.107 ( -6.632 0.000 -8.563) 10.831 7.311 ( 5.991 0.000 -5.063) 7.844 7.493 ( 0.863 0.000 14.108) 14.134 7.520 ( 3.000 0.000 12.958) 13.301 9.754 ( -34.701 0.000 11.487) 36.553 10.750 ( -4.815 0.000 -0.708) 4.867 10.905 ( -18.468 0.000 47.371) 50.844 11.457 ( -2.578 0.000 -0.997) 2.764 14.428 ( 20.082 0.000 -24.960) 32.036 15.165 ( -0.127 0.000 -3.384) 3.386 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 24.318 0.000 10.486) 26.482 1.578 ( 34.589 0.000 5.323) 34.996 2.285 ( 18.801 0.000 7.016) 20.068 2.319 ( 39.723 0.000 32.932) 51.599 3.565 ( -6.243 0.000 22.211) 23.072 4.796 ( 1.350 0.000 -2.685) 3.005 6.070 ( 11.669 0.000 -26.459) 28.918 6.522 ( -18.448 0.000 -4.832) 19.071 6.954 ( -7.907 0.000 -15.853) 17.715 7.348 ( -1.670 0.000 -2.761) 3.227 7.538 ( 3.223 0.000 12.742) 13.143 7.588 ( 3.356 0.000 13.966) 14.363 9.269 ( -13.271 0.000 4.591) 14.042 10.615 ( -9.157 0.000 -5.351) 10.606 10.786 ( 0.147 0.000 40.775) 40.775 11.389 ( -4.273 0.000 3.568) 5.567 14.671 ( 8.039 0.000 -18.217) 19.912 15.159 ( -0.540 0.000 -3.615) 3.656 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 24.238 0.000 9.783) 26.138 2.214 ( 30.495 0.000 0.815) 30.506 2.662 ( 19.612 0.000 4.331) 20.085 3.102 ( 40.736 0.000 21.821) 46.212 3.420 ( -8.672 0.000 22.721) 24.320 4.831 ( 2.502 0.000 -3.276) 4.122 6.065 ( -9.909 0.000 -7.554) 12.460 6.140 ( -21.221 0.000 -3.732) 21.547 6.849 ( -2.691 0.000 -20.698) 20.872 7.276 ( -5.354 0.000 -3.699) 6.508 7.589 ( 1.758 0.000 14.517) 14.623 7.630 ( 0.949 0.000 18.995) 19.019 9.193 ( 3.525 0.000 -11.722) 12.241 10.405 ( -12.352 0.000 -11.043) 16.569 10.828 ( 3.501 0.000 34.587) 34.764 11.299 ( -5.016 0.000 9.250) 10.523 14.796 ( 5.520 0.000 -12.977) 14.102 15.142 ( -1.316 0.000 -4.061) 4.269 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 22.125 0.000 10.785) 24.614 2.695 ( 16.742 0.000 -2.038) 16.865 3.009 ( 15.573 0.000 3.684) 16.003 3.257 ( -6.482 0.000 23.025) 23.920 3.866 ( 38.088 0.000 13.309) 40.346 4.903 ( 5.325 0.000 -4.435) 6.930 5.704 ( -24.070 0.000 -1.185) 24.099 5.776 ( -18.312 0.000 -4.109) 18.768 6.839 ( 1.323 0.000 -17.133) 17.184 7.152 ( -7.310 0.000 -6.901) 10.053 7.608 ( 0.461 0.000 18.311) 18.317 7.632 ( -0.495 0.000 22.535) 22.540 9.346 ( 11.152 0.000 -19.909) 22.820 10.148 ( -14.101 0.000 -16.174) 21.458 10.907 ( 4.614 0.000 29.343) 29.703 11.200 ( -5.211 0.000 14.739) 15.633 14.894 ( 4.784 0.000 -9.753) 10.863 15.107 ( -2.317 0.000 -4.799) 5.329 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 18.604 0.000 11.008) 21.617 2.738 ( -10.426 0.000 6.766) 12.429 3.230 ( 6.615 0.000 5.380) 8.526 3.252 ( 3.261 0.000 12.023) 12.458 4.554 ( 32.949 0.000 6.359) 33.557 5.014 ( -1.268 0.000 -4.696) 4.865 5.253 ( -15.043 0.000 1.951) 15.169 5.416 ( -17.636 0.000 -4.047) 18.094 6.895 ( 4.535 0.000 -13.148) 13.908 7.009 ( -7.031 0.000 -10.059) 12.273 7.613 ( 0.226 0.000 21.425) 21.426 7.620 ( -0.523 0.000 23.015) 23.021 9.592 ( 13.965 0.000 -21.591) 25.713 9.870 ( -14.630 0.000 -19.894) 24.694 11.001 ( 5.028 0.000 24.483) 24.994 11.100 ( -5.181 0.000 19.730) 20.399 14.980 ( 4.158 0.000 -7.524) 8.596 15.053 ( -3.323 0.000 -5.921) 6.790 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 8.278 8.278 19.049) 22.359 1.061 ( 16.150 16.150 21.895) 31.639 2.007 ( 32.495 32.495 32.504) 56.289 2.095 ( 11.312 11.312 7.898) 17.841 3.629 ( -2.832 -2.832 22.226) 22.584 4.778 ( 0.304 0.304 -2.560) 2.596 5.827 ( 20.033 20.033 -38.859) 48.090 6.766 ( -9.457 -9.457 -5.229) 14.360 6.933 ( -10.407 -10.407 -12.403) 19.247 7.434 ( 5.445 5.445 -2.971) 8.253 7.522 ( 3.291 3.291 12.103) 12.967 7.531 ( 1.836 1.836 12.969) 13.226 9.488 ( -19.881 -19.881 11.922) 30.539 10.709 ( -2.893 -2.893 7.211) 8.291 10.838 ( -4.292 -4.292 38.504) 38.980 11.474 ( -0.416 -0.416 -2.786) 2.848 14.469 ( 3.602 3.602 -19.894) 20.536 15.196 ( 1.809 1.809 -4.944) 5.567 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 26.237 -6.114 8.304) 28.191 1.481 ( 26.113 1.403 21.322) 33.741 2.386 ( 17.968 10.085 5.429) 21.308 2.687 ( 36.055 29.303 19.312) 50.315 3.551 ( -5.061 -1.346 22.839) 23.432 4.791 ( 1.073 -0.446 -2.709) 2.947 6.020 ( -2.510 -7.363 -14.956) 16.858 6.507 ( -14.922 -2.199 -7.226) 16.725 6.808 ( -2.781 -8.873 -21.181) 23.132 7.449 ( -1.923 5.145 5.266) 7.610 7.585 ( 2.912 -0.126 15.201) 15.478 7.616 ( 4.522 8.172 4.512) 10.373 9.212 ( -7.131 -4.164 -0.083) 8.258 10.620 ( -7.586 -0.260 -1.504) 7.738 10.796 ( 0.659 0.868 38.346) 38.362 11.426 ( -4.095 2.845 0.008) 4.986 14.553 ( 4.968 -8.771 -14.330) 17.520 15.206 ( -0.819 2.569 -4.877) 5.573 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 25.806 -2.269 5.162) 26.415 2.035 ( 30.431 -10.602 14.789) 35.457 2.751 ( 19.037 8.940 3.363) 21.299 3.258 ( 10.985 6.145 13.609) 18.538 3.530 ( 14.310 15.932 21.571) 30.396 4.825 ( 2.808 -0.758 -3.166) 4.299 5.768 ( -20.537 -21.947 -3.030) 30.209 6.226 ( -14.868 0.436 -6.226) 16.125 6.806 ( 1.752 -1.326 -21.285) 21.398 7.387 ( -4.472 7.322 2.497) 8.936 7.625 ( 1.194 -0.313 19.695) 19.734 7.669 ( 1.042 8.548 8.211) 11.898 9.203 ( 5.097 1.265 -13.268) 14.269 10.426 ( -11.979 1.382 -7.551) 14.227 10.843 ( 3.680 1.626 33.019) 33.263 11.332 ( -5.361 3.284 5.748) 8.519 14.658 ( 5.901 -11.531 -10.988) 16.986 15.170 ( -2.840 0.928 -4.562) 5.454 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 22.308 0.853 8.090) 23.745 2.588 ( 24.195 -10.045 4.965) 26.664 3.083 ( 14.265 7.403 3.274) 16.402 3.184 ( -6.831 -4.722 20.734) 22.335 4.010 ( 24.618 12.346 10.009) 29.303 4.920 ( 7.406 1.117 -4.167) 8.571 5.322 ( -23.851 -26.020 -0.443) 35.300 5.918 ( -17.162 2.584 -4.864) 18.024 6.862 ( 4.152 3.530 -16.222) 17.113 7.275 ( -7.134 9.875 -3.247) 12.608 7.636 ( 0.146 0.561 22.406) 22.414 7.668 ( -0.819 6.612 14.697) 16.136 9.370 ( 11.413 2.481 -19.353) 22.604 10.173 ( -14.022 2.083 -13.210) 19.377 10.926 ( 4.701 1.881 27.602) 28.062 11.227 ( -5.524 2.800 11.783) 13.312 14.776 ( 6.263 -10.570 -8.637) 15.018 15.100 ( -4.300 -1.902 -4.789) 6.711 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 18.393 1.238 9.983) 20.965 2.744 ( -9.157 0.486 6.822) 11.429 3.204 ( 9.287 -5.294 13.216) 16.998 3.277 ( 3.631 4.373 4.941) 7.531 4.411 ( 18.733 -10.107 4.287) 21.713 4.803 ( -21.815 -22.639 -0.293) 31.441 5.218 ( 15.715 4.348 -2.189) 16.452 5.569 ( -18.871 5.740 -3.689) 20.067 6.969 ( 6.930 7.667 -12.207) 15.995 7.121 ( -8.432 10.307 -8.406) 15.748 7.639 ( 0.292 2.027 22.406) 22.499 7.650 ( -0.849 4.039 19.920) 20.343 9.618 ( 13.961 2.529 -19.990) 24.513 9.895 ( -14.611 2.366 -17.588) 22.987 11.021 ( 5.119 2.062 22.447) 23.115 11.122 ( -5.358 2.336 17.295) 18.256 14.896 ( 6.059 -8.142 -6.852) 12.246 15.007 ( -5.378 -5.095 -5.564) 9.265 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 9.757 9.757 11.991) 18.281 1.675 ( 15.615 15.615 23.001) 31.886 2.649 ( 16.496 16.496 3.239) 23.552 3.221 ( 18.663 18.663 8.819) 27.828 3.567 ( 8.620 8.620 23.360) 26.349 4.783 ( -0.190 -0.190 -2.705) 2.718 5.743 ( -20.621 -20.621 -3.694) 29.396 6.380 ( -10.597 -10.597 -6.347) 16.274 6.757 ( 2.802 2.802 -24.854) 25.168 7.502 ( 0.751 0.751 11.093) 11.143 7.591 ( 1.072 1.072 17.781) 17.846 7.785 ( 7.575 7.575 -0.801) 10.743 9.173 ( 0.927 0.927 -9.102) 9.196 10.572 ( -5.165 -5.165 0.628) 7.331 10.825 ( 2.471 2.471 34.364) 34.542 11.456 ( -0.473 -0.473 -2.893) 2.969 14.430 ( -3.042 -3.042 -10.620) 11.458 15.213 ( -1.925 -1.925 -4.511) 5.268 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 26.898 -8.785 5.344) 28.796 2.023 ( 19.918 7.856 23.198) 31.569 2.988 ( 17.789 15.131 1.287) 23.389 3.266 ( -6.097 -2.782 15.851) 17.210 3.965 ( 23.257 24.969 10.068) 35.577 4.798 ( 2.658 -2.051 -2.860) 4.410 5.274 ( -26.982 -28.734 -0.899) 39.427 6.145 ( -13.270 -7.922 -6.755) 16.867 6.850 ( 6.181 5.634 -18.871) 20.641 7.489 ( -1.802 3.529 10.874) 11.573 7.622 ( 1.876 0.299 20.417) 20.506 7.880 ( 2.014 11.307 0.244) 11.487 9.255 ( 7.296 4.315 -15.530) 17.693 10.423 ( -9.939 -2.246 -1.585) 10.312 10.891 ( 4.166 3.310 28.667) 29.156 11.406 ( -4.349 3.573 -0.498) 5.651 14.437 ( 3.359 -9.993 -8.428) 13.497 15.140 ( -5.435 -4.135 -3.861) 7.845 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 27.739 -9.559 0.309) 29.341 2.435 ( 22.862 -1.739 20.822) 30.972 3.102 ( -9.752 -3.232 17.104) 19.952 3.296 ( 12.237 13.274 1.140) 18.089 4.268 ( 6.676 13.501 4.394) 15.690 4.735 ( -25.456 -29.638 -0.530) 39.073 4.956 ( 12.501 -2.320 -1.885) 12.853 5.876 ( -14.562 -5.987 -6.523) 17.042 6.991 ( 8.516 9.583 -13.540) 18.647 7.436 ( -3.809 6.143 6.943) 10.023 7.659 ( 2.084 2.152 21.412) 21.620 7.867 ( -3.001 12.955 4.759) 14.124 9.439 ( 11.407 4.558 -17.326) 21.239 10.202 ( -12.742 0.302 -6.608) 14.357 10.980 ( 5.010 3.772 22.766) 23.614 11.304 ( -5.827 4.987 4.844) 9.071 14.541 ( 6.981 -12.797 -6.736) 16.059 15.013 ( -7.523 -7.116 -3.771) 11.020 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 19.939 -2.016 4.515) 20.543 2.745 ( -4.398 -0.689 7.379) 8.617 3.041 ( 15.485 -10.366 18.874) 26.523 3.364 ( -8.292 2.717 5.873) 10.518 4.286 ( -1.544 -3.556 2.374) 4.546 4.351 ( -11.064 -19.162 0.076) 22.127 5.265 ( 17.215 -0.675 -3.797) 17.642 5.585 ( -15.817 -3.488 -5.523) 17.113 7.169 ( 9.465 11.903 -8.255) 17.304 7.333 ( -7.065 9.874 -0.689) 12.161 7.709 ( 3.259 5.738 19.214) 20.316 7.787 ( -4.602 10.495 12.531) 16.981 9.680 ( 13.382 3.604 -15.657) 20.909 9.944 ( -13.797 2.199 -11.788) 18.280 11.081 ( 5.483 4.250 16.867) 18.238 11.191 ( -5.848 4.793 10.894) 13.261 14.692 ( 8.440 -12.373 -5.318) 15.893 14.857 ( -8.511 -10.135 -4.285) 13.911 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 8.921 8.921 7.878) 14.874 2.238 ( 13.294 13.294 22.971) 29.683 3.180 ( -6.091 -6.091 15.868) 18.056 3.307 ( 17.103 17.103 -0.812) 24.202 4.404 ( 17.815 17.815 4.291) 25.557 4.689 ( -30.642 -30.642 0.034) 43.334 4.754 ( -1.342 -1.342 -2.467) 3.113 5.953 ( -11.493 -11.493 -7.534) 17.915 7.002 ( 9.689 9.689 -14.053) 19.628 7.528 ( 0.619 0.619 12.919) 12.948 7.651 ( 2.930 2.930 20.536) 20.950 8.055 ( 6.233 6.233 -1.484) 8.938 9.370 ( 7.572 7.572 -15.846) 19.125 10.335 ( -6.763 -6.763 0.577) 9.582 10.969 ( 4.720 4.720 22.634) 23.598 11.443 ( -0.156 -0.156 -3.118) 3.126 14.308 ( -3.040 -3.040 -6.148) 7.502 15.018 ( -8.203 -8.203 -2.931) 11.965 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 24.854 -9.429 3.518) 26.814 2.511 ( 14.650 7.323 23.316) 28.494 3.030 ( -9.537 -4.774 13.696) 17.359 3.579 ( 5.793 15.119 -0.151) 16.192 4.109 ( -21.572 -31.585 6.005) 38.718 4.533 ( -5.657 11.976 -2.357) 13.453 4.900 ( 15.214 -4.317 -3.493) 16.196 5.716 ( -12.860 -10.099 -7.853) 18.139 7.201 ( 10.321 11.155 -7.639) 17.009 7.519 ( -1.422 2.763 12.289) 12.676 7.736 ( 5.897 6.287 17.645) 19.637 8.107 ( -0.825 10.837 -0.391) 10.876 9.541 ( 9.998 5.945 -13.861) 18.095 10.173 ( -9.814 -3.339 -1.484) 10.472 11.069 ( 5.591 5.374 16.034) 17.811 11.399 ( -4.127 4.173 -1.227) 5.996 14.320 ( 4.010 -9.324 -4.386) 11.057 14.837 ( -10.323 -10.842 -2.437) 15.167 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 27.644 -14.038 -1.623) 31.046 2.716 ( -7.519 -3.252 6.735) 10.605 2.886 ( 8.452 -4.818 23.146) 25.108 3.281 ( -25.980 -11.559 16.475) 32.863 4.112 ( 12.508 -0.282 -1.174) 12.566 4.357 ( -11.615 6.557 -2.227) 13.523 5.194 ( 14.588 -6.316 -5.980) 16.984 5.462 ( -13.491 -8.585 -7.414) 17.626 7.373 ( 7.046 8.305 1.487) 10.992 7.473 ( -3.579 4.921 8.887) 10.771 7.876 ( 8.384 11.560 10.276) 17.593 8.030 ( -6.712 13.435 3.238) 15.363 9.748 ( 11.295 3.260 -10.183) 15.553 9.967 ( -11.286 0.077 -5.665) 12.628 11.182 ( 6.062 6.026 9.484) 12.768 11.299 ( -5.904 6.049 3.468) 9.136 14.446 ( 8.562 -12.511 -3.181) 15.490 14.633 ( -10.505 -12.632 -2.521) 16.622 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 6.608 6.608 5.207) 10.697 2.668 ( 7.967 7.967 21.977) 24.697 2.890 ( -10.653 -10.653 7.420) 16.794 3.467 ( -26.671 -26.671 18.000) 41.793 3.937 ( 15.364 15.364 -3.472) 22.003 4.686 ( -2.025 -2.025 -1.697) 3.329 4.851 ( 5.081 5.081 -7.845) 10.638 5.503 ( -11.741 -11.741 -8.807) 18.795 7.384 ( 7.360 7.360 2.346) 10.670 7.549 ( 0.419 0.419 13.755) 13.768 7.906 ( 10.935 10.935 9.159) 17.973 8.255 ( 4.048 4.048 -1.421) 5.899 9.665 ( 6.896 6.896 -9.709) 13.761 10.080 ( -6.067 -6.067 -0.275) 8.584 11.183 ( 6.283 6.283 8.911) 12.584 11.444 ( 0.169 0.169 -3.429) 3.437 14.206 ( -2.159 -2.159 -2.228) 3.780 14.612 ( -12.004 -12.004 -1.334) 17.028 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 21.814 -12.219 1.921) 25.077 2.500 ( -24.496 -18.909 -2.635) 31.057 2.871 ( 8.976 2.344 26.466) 28.045 3.077 ( -13.520 -6.841 27.923) 31.770 4.243 ( 15.377 10.937 -3.695) 19.228 4.513 ( -12.400 8.709 -3.079) 15.462 5.044 ( 11.631 -8.524 -8.915) 16.953 5.273 ( -12.044 -10.730 -9.204) 18.571 7.488 ( 3.775 4.140 9.855) 11.336 7.538 ( -1.515 2.139 13.045) 13.306 8.118 ( 9.932 12.231 2.475) 15.949 8.256 ( -3.850 9.141 -0.507) 9.932 9.804 ( 7.492 2.657 -5.558) 9.700 9.949 ( -7.356 -1.852 -2.086) 7.867 11.304 ( 6.078 6.317 2.638) 9.154 11.405 ( -3.992 4.407 -1.811) 6.216 14.239 ( 5.291 -8.296 -0.972) 9.888 14.393 ( -10.238 -11.650 -0.757) 15.528 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 2.533 2.533 3.723) 5.166 2.122 ( -17.199 -17.199 1.228) 24.354 2.930 ( 3.246 3.246 26.662) 27.054 2.991 ( -3.285 -3.285 27.591) 27.980 4.469 ( 11.529 11.529 -3.281) 16.631 4.620 ( -1.044 -1.044 -0.893) 1.726 4.932 ( 0.416 0.416 -13.234) 13.247 5.065 ( -10.304 -10.304 -11.190) 18.373 7.544 ( 1.793 1.793 13.269) 13.509 7.560 ( 0.146 0.146 14.102) 14.103 8.307 ( 6.736 6.736 -0.524) 9.541 8.361 ( 1.400 1.400 -1.274) 2.354 9.853 ( 2.562 2.562 -2.650) 4.489 9.904 ( -2.605 -2.605 -1.375) 3.932 11.409 ( 4.199 4.199 -2.031) 6.277 11.451 ( 0.135 0.135 -3.668) 3.673 14.148 ( -0.795 -0.795 0.454) 1.213 14.209 ( -6.865 -6.865 0.453) 9.720 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.000 0.000 25.820) 25.820 1.042 ( 0.000 -0.000 25.820) 25.820 2.149 ( -0.000 -0.000 17.898) 17.898 2.503 ( 0.000 0.000 60.838) 60.838 4.278 ( 0.000 0.000 35.771) 35.771 4.708 ( 0.000 0.000 -3.598) 3.598 4.708 ( 0.000 0.000 -3.598) 3.598 6.962 ( 0.000 0.000 -7.174) 7.174 6.997 ( -0.000 -0.000 -11.645) 11.645 6.997 ( 0.000 0.000 -11.645) 11.645 7.862 ( 0.000 0.000 22.871) 22.871 7.862 ( 0.000 0.000 22.871) 22.871 10.258 ( -0.000 -0.000 6.400) 6.400 10.825 ( 0.000 0.000 1.520) 1.520 11.404 ( -0.000 0.000 -5.103) 5.103 11.404 ( 0.000 0.000 -5.103) 5.103 13.933 ( 0.000 0.000 -4.024) 4.024 15.069 ( 0.000 0.000 -6.441) 6.441 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 8.797 0.000 22.818) 24.455 1.263 ( 20.715 0.000 19.875) 28.708 2.236 ( 8.821 0.000 16.149) 18.401 2.695 ( 18.626 0.000 56.312) 59.312 4.242 ( -3.724 0.000 34.837) 35.036 4.715 ( 0.703 0.000 -3.224) 3.300 5.022 ( 27.416 0.000 -15.063) 31.282 6.713 ( -15.303 0.000 -8.737) 17.621 6.916 ( -8.213 0.000 -11.434) 14.078 7.164 ( 6.699 0.000 -9.509) 11.632 7.873 ( 1.213 0.000 23.075) 23.107 7.876 ( 1.520 0.000 21.817) 21.870 9.894 ( -29.540 0.000 5.842) 30.112 10.723 ( -9.874 0.000 -2.208) 10.117 11.432 ( 2.402 0.000 -1.419) 2.789 11.464 ( 3.671 0.000 13.792) 14.272 14.059 ( 10.728 0.000 -13.354) 17.129 15.066 ( -0.331 0.000 -6.557) 6.565 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 18.960 0.000 15.751) 24.649 1.748 ( 27.885 0.000 11.641) 30.218 2.470 ( 14.807 0.000 12.068) 19.102 3.154 ( 27.581 0.000 47.429) 54.865 4.137 ( -7.144 0.000 32.692) 33.463 4.732 ( 0.942 0.000 -3.021) 3.165 5.554 ( 24.141 0.000 -22.643) 33.098 6.397 ( -17.240 0.000 -7.383) 18.755 6.697 ( -13.656 0.000 -11.930) 18.133 7.228 ( -0.092 0.000 -8.400) 8.401 7.913 ( 2.900 0.000 23.160) 23.340 7.925 ( 3.568 0.000 19.241) 19.569 9.367 ( -22.348 0.000 5.728) 23.070 10.474 ( -15.410 0.000 -8.456) 17.577 11.476 ( 1.910 0.000 4.759) 5.128 11.507 ( 0.942 0.000 29.070) 29.085 14.273 ( 10.664 0.000 -20.014) 22.678 15.054 ( -0.997 0.000 -6.931) 7.002 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 24.044 0.000 11.503) 26.654 2.286 ( 26.826 0.000 6.570) 27.619 2.782 ( 16.914 0.000 7.853) 18.649 3.714 ( 29.769 0.000 37.652) 47.999 3.969 ( -10.211 0.000 29.584) 31.297 4.751 ( 1.199 0.000 -4.043) 4.217 5.843 ( 2.849 0.000 -14.298) 14.579 6.055 ( -18.148 0.000 -4.110) 18.607 6.469 ( -6.350 0.000 -16.609) 17.782 7.167 ( -5.959 0.000 -7.110) 9.277 7.978 ( 3.577 0.000 23.410) 23.682 8.009 ( 4.792 0.000 18.026) 18.652 9.068 ( -8.789 0.000 -0.244) 8.792 10.149 ( -17.920 0.000 -13.915) 22.688 11.502 ( 0.783 0.000 10.360) 10.390 11.512 ( -0.123 0.000 31.858) 31.858 14.463 ( 9.193 0.000 -19.266) 21.347 15.024 ( -2.122 0.000 -7.647) 7.936 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 23.697 0.000 11.740) 26.446 2.733 ( 18.035 0.000 5.369) 18.818 3.097 ( 15.303 0.000 5.117) 16.136 3.751 ( -11.954 0.000 24.217) 27.007 4.276 ( 27.926 0.000 27.049) 38.879 4.789 ( 3.207 0.000 -6.374) 7.135 5.661 ( -17.184 0.000 -7.026) 18.565 5.702 ( -18.509 0.000 1.941) 18.610 6.500 ( 6.553 0.000 -16.707) 17.946 7.015 ( -9.301 0.000 -7.056) 11.675 8.042 ( 3.008 0.000 24.517) 24.701 8.087 ( 2.861 0.000 21.335) 21.526 9.020 ( 3.488 0.000 -10.462) 11.028 9.798 ( -18.208 0.000 -17.973) 25.584 11.508 ( -0.214 0.000 29.236) 29.237 11.509 ( 0.064 0.000 15.359) 15.359 14.629 ( 7.990 0.000 -16.261) 18.118 14.970 ( -3.597 0.000 -8.841) 9.545 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 17.992 0.000 13.284) 22.365 2.907 ( -1.560 0.000 9.881) 10.003 3.352 ( 10.848 0.000 5.758) 12.281 3.536 ( -9.749 0.000 13.968) 17.034 4.758 ( 20.367 0.000 12.941) 24.130 4.885 ( 5.503 0.000 -7.764) 9.517 5.330 ( -13.735 0.000 -2.531) 13.966 5.356 ( -15.694 0.000 9.457) 18.323 6.649 ( 8.544 0.000 -11.853) 14.611 6.827 ( -9.808 0.000 -8.598) 13.043 8.090 ( 1.919 0.000 25.596) 25.668 8.112 ( -0.155 0.000 24.999) 25.000 9.178 ( 12.165 0.000 -18.067) 21.781 9.460 ( -16.514 0.000 -19.893) 25.854 11.506 ( 0.001 0.000 24.855) 24.855 11.508 ( -0.139 0.000 20.123) 20.123 14.770 ( 6.697 0.000 -13.171) 14.775 14.885 ( -5.195 0.000 -10.656) 11.855 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 4.798 4.798 22.964) 23.945 1.440 ( 16.330 16.330 17.764) 29.136 2.321 ( 8.488 8.488 14.518) 18.838 2.882 ( 17.918 17.918 50.876) 56.837 4.215 ( -3.001 -3.001 34.686) 34.945 4.712 ( 0.170 0.170 -3.777) 3.785 5.252 ( 20.259 20.259 -19.937) 34.904 6.625 ( -9.820 -9.820 -8.930) 16.511 6.729 ( -13.130 -13.130 -9.991) 21.086 7.284 ( 7.145 7.145 -10.309) 14.435 7.876 ( 0.985 0.985 20.791) 20.837 7.900 ( 1.980 1.980 23.317) 23.484 9.628 ( -21.567 -21.567 4.972) 30.902 10.736 ( -2.854 -2.854 0.600) 4.081 11.394 ( -0.453 -0.453 -5.137) 5.177 11.506 ( 1.675 1.675 23.202) 23.322 14.101 ( 4.236 4.236 -15.909) 17.000 15.078 ( 0.864 0.864 -7.072) 7.177 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 17.002 -2.706 16.988) 24.186 1.840 ( 23.935 9.762 15.039) 29.906 2.546 ( 14.357 7.701 10.671) 19.476 3.311 ( 24.803 14.677 41.052) 50.158 4.127 ( -5.849 -1.107 32.630) 33.169 4.723 ( 0.841 -0.667 -3.636) 3.791 5.638 ( 15.743 6.414 -20.262) 26.449 6.342 ( -16.657 -5.191 -8.245) 19.297 6.506 ( -10.366 -14.811 -11.415) 21.380 7.366 ( 0.912 10.033 -9.438) 13.805 7.917 ( 3.229 0.995 19.332) 19.625 7.953 ( 3.520 2.427 22.539) 22.941 9.241 ( -16.440 -10.450 3.002) 19.710 10.562 ( -14.028 6.070 -3.814) 15.753 11.422 ( 2.357 -3.809 0.476) 4.505 11.520 ( -0.028 0.204 30.403) 30.404 14.214 ( 7.166 -4.569 -18.181) 20.069 15.082 ( -0.769 1.908 -7.522) 7.799 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 24.000 -5.868 10.499) 26.845 2.319 ( 24.851 4.521 12.696) 28.270 2.850 ( 16.520 6.874 6.667) 19.095 3.732 ( 12.247 0.850 32.504) 34.745 4.048 ( 3.212 8.081 28.123) 29.437 4.746 ( 1.858 -0.573 -4.156) 4.588 5.683 ( -12.467 -15.852 -5.499) 20.904 6.071 ( -12.278 -0.130 -8.365) 14.858 6.404 ( 2.585 -2.545 -17.904) 18.268 7.319 ( -5.550 12.419 -7.744) 15.652 7.991 ( 4.024 1.436 20.153) 20.601 8.031 ( 4.305 2.214 21.208) 21.753 9.030 ( -5.297 -2.899 -3.156) 6.814 10.242 ( -18.334 8.094 -10.215) 22.494 11.460 ( 1.450 -3.404 8.242) 9.034 11.512 ( -0.621 -0.633 30.167) 30.180 14.368 ( 8.641 -8.280 -17.225) 20.975 15.045 ( -3.038 1.070 -7.797) 8.436 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 24.666 -5.358 8.892) 26.762 2.750 ( 18.163 2.319 10.105) 20.913 3.157 ( 14.718 6.030 4.236) 16.460 3.675 ( -9.832 -6.549 25.183) 27.816 4.316 ( 15.593 3.478 19.890) 25.512 4.820 ( 6.222 1.913 -4.836) 8.109 5.340 ( -18.756 -21.282 3.098) 28.536 5.803 ( -15.241 0.253 -5.770) 16.298 6.544 ( 9.457 5.427 -15.653) 19.076 7.166 ( -9.875 13.414 -7.305) 18.188 8.060 ( 3.020 1.775 22.742) 23.011 8.101 ( 2.543 1.467 23.013) 23.199 9.036 ( 5.642 1.943 -12.025) 13.424 9.879 ( -18.962 7.584 -15.184) 25.448 11.478 ( 0.524 -2.619 14.433) 14.678 11.500 ( -0.595 -1.234 26.425) 26.460 14.538 ( 8.882 -8.261 -14.682) 19.045 14.966 ( -5.117 -1.104 -8.492) 9.975 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 19.730 -2.779 10.839) 22.682 2.921 ( -2.858 1.303 10.510) 10.969 3.387 ( 8.587 3.729 5.188) 10.703 3.507 ( -6.106 -2.998 13.953) 15.523 4.557 ( 11.508 -12.669 9.573) 19.611 4.810 ( -12.544 -15.049 1.051) 19.620 5.213 ( 10.500 0.236 3.887) 11.199 5.499 ( -16.116 3.018 -1.772) 16.492 6.739 ( 10.782 9.303 -11.199) 18.116 6.956 ( -11.512 12.365 -8.433) 18.882 8.105 ( 1.729 1.597 24.750) 24.861 8.124 ( -0.065 1.298 25.131) 25.164 9.225 ( 13.366 4.755 -17.596) 22.603 9.526 ( -17.359 6.398 -18.055) 25.851 11.485 ( 0.252 -2.090 18.928) 19.044 11.491 ( -0.377 -1.699 22.389) 22.456 14.704 ( 8.200 -6.415 -12.013) 15.897 14.850 ( -6.877 -3.811 -9.883) 12.629 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 6.944 6.944 17.658) 20.205 2.109 ( 17.379 17.379 18.058) 30.499 2.752 ( 13.239 13.239 7.274) 20.087 3.624 ( 14.229 14.229 31.333) 37.238 4.111 ( 1.223 1.223 29.173) 29.224 4.714 ( -0.208 -0.208 -4.007) 4.018 5.635 ( -10.665 -10.665 -7.181) 16.705 6.221 ( -11.111 -11.111 -9.321) 18.270 6.311 ( 2.190 2.190 -17.695) 17.964 7.520 ( 4.968 4.968 -8.927) 11.360 7.957 ( 3.143 3.143 18.235) 18.769 8.015 ( 3.906 3.906 22.406) 23.077 9.058 ( -7.038 -7.038 -1.998) 10.151 10.588 ( -5.025 -5.025 0.931) 7.167 11.373 ( -0.578 -0.578 -5.279) 5.342 11.512 ( -0.912 -0.912 32.088) 32.113 14.158 ( -0.278 -0.278 -15.723) 15.728 15.092 ( -1.231 -1.231 -7.449) 7.650 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 19.434 -4.722 12.398) 23.531 2.476 ( 19.950 11.361 19.499) 30.121 3.035 ( 15.484 12.005 3.636) 19.927 3.711 ( -4.951 -3.591 27.890) 28.553 4.257 ( 11.696 12.579 17.604) 24.595 4.726 ( 2.260 -1.627 -3.999) 4.873 5.288 ( -21.735 -23.554 3.838) 32.279 5.981 ( -13.138 -8.819 -9.275) 18.342 6.478 ( 11.875 9.612 -17.642) 23.338 7.545 ( -2.263 9.675 -6.862) 12.075 8.030 ( 4.161 2.559 19.389) 19.995 8.094 ( 3.935 4.316 21.533) 22.311 8.999 ( 1.214 0.524 -8.452) 8.555 10.378 ( -15.420 4.060 -2.847) 16.197 11.390 ( 1.585 -3.273 -0.933) 3.755 11.490 ( -1.263 -1.572 29.218) 29.287 14.211 ( 5.590 -6.642 -13.563) 16.103 15.031 ( -5.000 -2.872 -6.894) 8.988 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 25.208 -10.102 6.866) 28.012 2.839 ( 16.031 6.832 17.746) 24.871 3.319 ( 13.003 10.453 1.980) 16.801 3.538 ( -10.642 -7.532 22.555) 26.052 4.389 ( 0.769 3.632 7.417) 8.295 4.751 ( -10.499 -13.853 1.835) 17.478 4.980 ( 1.740 -10.541 7.650) 13.141 5.723 ( -13.480 -7.706 -8.146) 17.534 6.724 ( 13.432 13.015 -13.279) 22.938 7.443 ( -8.067 13.658 -6.387) 17.100 8.103 ( 3.185 2.486 21.654) 22.028 8.152 ( 1.956 4.140 22.864) 23.318 9.106 ( 9.570 5.427 -14.128) 17.906 10.040 ( -18.811 7.789 -8.897) 22.219 11.417 ( 1.081 -3.408 6.061) 7.037 11.466 ( -1.135 -2.137 24.095) 24.217 14.357 ( 9.063 -9.554 -11.253) 17.322 14.906 ( -7.822 -5.282 -6.819) 11.644 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 24.000 -9.097 5.699) 26.291 2.933 ( -10.509 -1.392 9.862) 14.479 3.434 ( 4.213 -3.294 16.193) 17.053 3.495 ( 2.256 6.912 5.821) 9.313 4.363 ( -0.469 -7.531 7.259) 10.471 4.466 ( -11.822 -16.316 12.417) 23.667 5.199 ( 13.975 -3.575 -1.429) 14.496 5.464 ( -13.517 -5.962 -5.543) 15.779 6.990 ( 13.887 15.823 -9.819) 23.230 7.245 ( -12.162 16.099 -7.623) 21.569 8.150 ( 1.717 2.974 23.557) 23.806 8.169 ( -0.151 3.607 24.012) 24.282 9.350 ( 15.331 7.806 -15.758) 23.330 9.678 ( -18.324 8.564 -13.586) 24.366 11.433 ( 0.709 -3.036 12.432) 12.817 11.447 ( -0.838 -2.622 18.341) 18.547 14.545 ( 10.140 -9.527 -9.107) 16.629 14.737 ( -9.574 -7.770 -7.556) 14.461 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 6.880 6.880 12.900) 16.158 2.732 ( 14.467 14.467 22.799) 30.632 3.295 ( 14.499 14.499 0.046) 20.505 3.584 ( -9.669 -9.669 22.338) 26.191 4.465 ( 5.101 5.101 2.848) 7.756 4.690 ( -1.009 -1.009 -3.698) 3.964 4.844 ( -19.408 -19.408 17.202) 32.392 5.773 ( -12.039 -12.039 -9.952) 19.721 6.720 ( 14.590 14.590 -14.044) 24.959 7.665 ( 2.704 2.704 -4.148) 5.642 8.088 ( 3.423 3.423 21.911) 22.440 8.186 ( 4.672 4.672 18.380) 19.532 9.065 ( 6.363 6.363 -12.893) 15.722 10.351 ( -7.034 -7.034 0.966) 9.994 11.354 ( -0.342 -0.342 -5.592) 5.613 11.456 ( -1.819 -1.819 24.443) 24.578 14.143 ( -0.180 -0.180 -9.916) 9.919 14.933 ( -7.129 -7.129 -5.494) 11.481 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 19.012 -6.374 8.757) 21.881 2.987 ( 8.539 6.880 20.033) 22.838 3.355 ( -10.662 -9.629 16.836) 22.133 3.566 ( 11.857 13.472 -1.071) 17.979 4.303 ( -14.880 -17.246 12.512) 25.988 4.551 ( -9.440 2.879 6.810) 11.991 4.853 ( 10.819 -6.569 1.181) 12.712 5.534 ( -12.531 -11.368 -9.714) 19.509 7.017 ( 15.723 16.466 -10.617) 25.121 7.654 ( -3.704 7.790 -3.112) 9.170 8.158 ( 3.667 3.422 22.992) 23.533 8.254 ( 2.027 5.789 18.061) 19.074 9.242 ( 11.839 8.567 -14.478) 20.571 10.133 ( -14.591 1.072 -2.418) 14.829 11.363 ( 0.850 -1.824 -2.295) 3.052 11.423 ( -1.557 -2.207 17.973) 18.175 14.202 ( 6.057 -5.855 -7.041) 10.980 14.766 ( -9.930 -8.977 -4.534) 14.133 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 24.784 -13.320 4.016) 28.421 2.807 ( -22.073 -12.273 3.809) 25.541 3.421 ( 12.715 2.463 24.967) 28.127 3.641 ( -6.583 7.273 12.913) 16.217 4.173 ( 4.259 -8.012 11.869) 14.940 4.353 ( -11.116 1.393 4.923) 12.237 5.072 ( 11.550 -9.123 -4.915) 15.518 5.298 ( -11.955 -10.678 -8.112) 17.965 7.305 ( 13.694 15.853 -7.753) 22.337 7.528 ( -9.225 12.491 -4.947) 16.297 8.222 ( 2.868 4.603 22.365) 23.013 8.262 ( -1.017 5.807 20.203) 21.046 9.509 ( 15.535 8.250 -12.552) 21.608 9.824 ( -16.780 5.924 -8.038) 19.526 11.380 ( 0.836 -2.230 4.178) 4.809 11.398 ( -1.095 -2.335 11.083) 11.379 14.360 ( 9.788 -9.166 -5.212) 14.387 14.563 ( -10.918 -9.938 -4.398) 15.405 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 5.206 5.206 9.194) 11.779 2.908 ( -17.226 -17.226 3.618) 24.628 3.311 ( 7.541 7.541 29.147) 31.037 3.844 ( 13.806 13.806 -5.463) 20.274 3.985 ( -13.047 -13.047 31.841) 36.801 4.641 ( -1.433 -1.433 -2.663) 3.347 4.721 ( -1.000 -1.000 -1.894) 2.364 5.303 ( -12.299 -12.299 -10.467) 20.300 7.326 ( 14.888 14.888 -7.749) 22.435 7.740 ( 1.268 1.268 -0.198) 1.804 8.237 ( 4.619 4.619 22.040) 22.988 8.350 ( 3.564 3.564 15.099) 15.918 9.431 ( 10.944 10.944 -12.626) 19.974 10.074 ( -6.930 -6.930 -0.412) 9.809 11.348 ( -0.036 -0.036 -6.034) 6.034 11.386 ( -1.585 -1.585 10.423) 10.662 14.148 ( 0.338 0.338 -3.406) 3.440 14.574 ( -10.666 -10.666 -2.521) 15.294 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 17.010 -9.261 5.965) 20.265 2.499 ( -22.539 -17.888 1.991) 28.844 3.505 ( 11.075 5.367 33.133) 35.345 3.723 ( -11.703 0.539 33.041) 35.056 4.156 ( 15.344 6.221 -2.384) 16.728 4.438 ( -13.592 6.972 -2.748) 15.521 4.863 ( 9.919 -12.224 -7.593) 17.478 5.071 ( -11.544 -12.461 -9.886) 19.654 7.569 ( 10.068 11.093 -4.065) 15.522 7.709 ( -4.415 6.156 -0.730) 7.611 8.324 ( 4.071 5.685 19.021) 20.266 8.376 ( -0.876 5.433 15.827) 16.756 9.657 ( 12.306 6.990 -8.635) 16.579 9.890 ( -11.424 0.814 -3.654) 12.022 11.352 ( 0.406 -0.636 -3.361) 3.444 11.363 ( -0.795 -1.171 2.880) 3.209 14.213 ( 6.213 -5.538 -1.476) 8.453 14.372 ( -9.820 -9.370 -1.338) 13.639 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 1.998 1.998 6.991) 7.540 2.184 ( -13.399 -13.399 4.831) 19.555 3.606 ( 4.925 4.925 38.394) 39.021 3.688 ( -3.393 -3.393 40.207) 40.492 4.353 ( 12.687 12.687 -8.693) 19.937 4.595 ( -0.718 -0.718 -1.592) 1.888 4.626 ( -2.423 -2.423 -15.491) 15.866 4.831 ( -12.227 -12.227 -10.519) 20.240 7.725 ( 5.112 5.112 0.022) 7.229 7.770 ( 0.367 0.367 1.511) 1.598 8.421 ( 3.669 3.669 15.186) 16.049 8.446 ( 1.309 1.309 13.766) 13.890 9.777 ( 5.431 5.431 -4.944) 9.134 9.863 ( -3.297 -3.297 -2.729) 5.403 11.349 ( 0.042 0.042 -6.379) 6.379 11.351 ( -0.247 -0.247 -3.779) 3.795 14.160 ( 0.215 0.215 0.744) 0.804 14.221 ( -5.867 -5.867 0.680) 8.325 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 0.000 24.945) 24.945 1.549 ( 0.000 0.000 24.945) 24.945 2.553 ( 0.000 0.000 22.263) 22.263 3.680 ( 0.000 0.000 57.122) 57.122 4.634 ( 0.000 0.000 -3.637) 3.637 4.634 ( 0.000 0.000 -3.637) 3.637 5.055 ( 0.000 0.000 41.004) 41.004 6.718 ( 0.000 0.000 -16.136) 16.136 6.718 ( 0.000 0.000 -16.136) 16.136 6.785 ( 0.000 0.000 -10.589) 10.589 8.364 ( 0.000 0.000 26.678) 26.678 8.364 ( 0.000 0.000 26.678) 26.678 10.407 ( 0.000 0.000 8.413) 8.413 10.851 ( 0.000 0.000 0.957) 0.957 11.284 ( -0.000 -0.000 -6.740) 6.740 11.284 ( -0.000 0.000 -6.740) 6.740 13.837 ( 0.000 0.000 -5.540) 5.540 14.912 ( -0.000 -0.000 -9.216) 9.216 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 4.081 0.000 23.204) 23.561 1.683 ( 13.328 0.000 21.809) 25.559 2.608 ( 5.550 0.000 20.778) 21.506 3.808 ( 12.668 0.000 54.690) 56.138 4.622 ( -1.426 0.000 -2.986) 3.309 4.802 ( 16.087 0.000 -8.264) 18.085 5.014 ( -4.163 0.000 38.130) 38.357 6.506 ( -13.226 0.000 -11.694) 17.655 6.648 ( -7.266 0.000 -15.398) 17.026 6.940 ( 7.365 0.000 -12.722) 14.701 8.351 ( -1.323 0.000 25.007) 25.042 8.377 ( 1.323 0.000 26.672) 26.705 10.016 ( -28.972 0.000 6.378) 29.666 10.658 ( -16.511 0.000 -4.399) 17.087 11.404 ( 8.990 0.000 -1.393) 9.098 11.608 ( 22.286 0.000 2.715) 22.451 13.843 ( 1.122 0.000 -9.147) 9.215 14.907 ( -0.586 0.000 -9.337) 9.355 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 12.047 0.000 17.983) 21.645 2.026 ( 21.244 0.000 15.710) 26.422 2.759 ( 9.953 0.000 16.819) 19.543 4.130 ( 19.605 0.000 49.139) 52.906 4.569 ( -4.523 0.000 0.408) 4.542 4.900 ( -7.375 0.000 27.914) 28.872 5.179 ( 21.024 0.000 -15.512) 26.127 6.250 ( -12.920 0.000 -6.276) 14.364 6.446 ( -13.198 0.000 -13.396) 18.805 7.030 ( 1.801 0.000 -11.014) 11.161 8.318 ( -1.840 0.000 19.349) 19.436 8.416 ( 2.747 0.000 26.483) 26.625 9.510 ( -21.756 0.000 8.786) 23.463 10.289 ( -20.959 0.000 -9.825) 23.148 11.567 ( 7.575 0.000 4.153) 8.639 11.947 ( 11.721 0.000 16.002) 19.835 13.905 ( 5.723 0.000 -16.715) 17.667 14.887 ( -1.561 0.000 -9.718) 9.843 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 20.389 0.000 11.848) 23.582 2.464 ( 23.391 0.000 10.894) 25.803 2.979 ( 12.435 0.000 11.971) 17.260 4.416 ( -12.167 0.000 8.274) 14.714 4.520 ( 19.962 0.000 41.204) 45.785 4.761 ( -6.035 0.000 9.337) 11.118 5.527 ( 12.068 0.000 -16.496) 20.439 6.018 ( -11.025 0.000 1.888) 11.186 6.190 ( -10.338 0.000 -11.460) 15.434 7.007 ( -4.192 0.000 -8.299) 9.297 8.298 ( 0.388 0.000 10.347) 10.355 8.479 ( 3.576 0.000 25.902) 26.148 9.194 ( -11.516 0.000 12.586) 17.060 9.872 ( -21.916 0.000 -13.470) 25.724 11.694 ( 5.658 0.000 8.626) 10.316 12.065 ( 1.454 0.000 23.660) 23.704 14.062 ( 10.083 0.000 -20.543) 22.884 14.843 ( -3.119 0.000 -10.439) 10.895 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 24.438 0.000 8.783) 25.968 2.886 ( 19.044 0.000 9.399) 21.237 3.221 ( 12.183 0.000 7.572) 14.344 4.104 ( -19.373 0.000 8.545) 21.174 4.686 ( -1.542 0.000 -3.063) 3.429 4.850 ( 12.237 0.000 25.874) 28.622 5.531 ( -8.218 0.000 -3.785) 9.048 5.824 ( -9.389 0.000 10.769) 14.287 6.196 ( 9.784 0.000 -12.430) 15.819 6.876 ( -9.069 0.000 -6.149) 10.958 8.349 ( 5.021 0.000 2.928) 5.812 8.543 ( 2.731 0.000 24.264) 24.417 9.042 ( -4.745 0.000 13.926) 14.712 9.465 ( -19.713 0.000 -14.333) 24.373 11.791 ( 4.625 0.000 12.648) 13.467 12.040 ( -3.233 0.000 23.869) 24.087 14.270 ( 11.067 0.000 -19.214) 22.173 14.763 ( -5.203 0.000 -11.656) 12.764 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 20.117 0.000 10.667) 22.770 3.124 ( 3.149 0.000 11.843) 12.254 3.438 ( 10.867 0.000 3.209) 11.331 3.716 ( -19.099 0.000 2.943) 19.324 4.723 ( 5.936 0.000 -8.115) 10.054 4.886 ( -7.867 0.000 -3.203) 8.494 5.485 ( 5.664 0.000 19.238) 20.055 5.647 ( -9.221 0.000 18.502) 20.672 6.429 ( 12.858 0.000 -9.149) 15.781 6.671 ( -11.931 0.000 -6.203) 13.447 8.475 ( 6.927 0.000 4.662) 8.349 8.563 ( -1.419 0.000 17.626) 17.683 9.008 ( 1.782 0.000 7.333) 7.546 9.144 ( -12.602 0.000 -7.969) 14.911 11.877 ( 4.429 0.000 16.633) 17.213 11.963 ( -4.414 0.000 20.648) 21.114 14.473 ( 9.763 0.000 -16.232) 18.942 14.641 ( -7.558 0.000 -13.561) 15.525 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 2.675 2.675 22.970) 23.280 1.805 ( 12.158 12.158 18.933) 25.575 2.661 ( 5.415 5.415 19.390) 20.848 3.924 ( 11.515 11.515 52.403) 54.874 4.635 ( 0.017 0.017 -3.800) 3.800 4.862 ( 2.736 2.736 9.418) 10.181 5.032 ( 5.553 5.553 15.472) 17.351 6.410 ( -9.548 -9.548 -12.594) 18.465 6.524 ( -9.560 -9.560 -9.852) 16.729 7.038 ( 6.709 6.709 -14.228) 17.101 8.321 ( -2.008 -2.008 22.969) 23.144 8.407 ( 2.168 2.168 26.793) 26.968 9.723 ( -21.981 -21.981 4.745) 31.446 10.746 ( -2.597 -2.597 0.507) 3.707 11.274 ( -0.485 -0.485 -6.755) 6.790 11.824 ( 13.265 13.265 10.496) 21.496 13.832 ( -0.414 -0.414 -11.522) 11.536 14.912 ( 0.347 0.347 -9.560) 9.572 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 10.058 -0.828 19.000) 21.514 2.126 ( 20.312 10.194 14.405) 26.907 2.809 ( 9.684 5.010 15.617) 19.047 4.210 ( 16.679 7.841 46.933) 50.422 4.596 ( -4.380 2.215 0.432) 4.927 4.805 ( -5.932 -8.455 22.082) 24.379 5.287 ( 16.732 9.466 -13.310) 23.382 6.187 ( -12.285 -6.436 -8.244) 16.134 6.314 ( -11.955 -10.800 -6.010) 17.196 7.132 ( 2.492 8.120 -13.578) 16.016 8.286 ( -1.320 -2.194 16.945) 17.138 8.455 ( 2.839 3.145 26.662) 26.997 9.338 ( -16.498 -13.234 6.941) 22.260 10.475 ( -20.713 13.789 -4.688) 25.321 11.415 ( 10.077 -12.204 -0.736) 15.844 12.021 ( 6.369 4.832 19.946) 21.489 13.863 ( 4.310 -3.244 -16.654) 17.506 14.908 ( -1.087 1.572 -9.894) 10.077 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 18.580 -4.685 12.818) 23.054 2.550 ( 22.787 8.554 11.049) 26.730 3.023 ( 12.169 4.473 10.862) 16.914 4.357 ( -11.032 -4.419 17.106) 20.829 4.590 ( 10.098 3.606 30.144) 31.994 4.720 ( -0.248 -2.984 5.304) 6.091 5.531 ( 4.330 -0.859 -10.417) 11.313 5.963 ( -10.875 -5.915 -2.176) 12.569 6.135 ( -2.625 -2.270 -6.089) 7.009 7.123 ( -3.529 10.019 -11.226) 15.455 8.285 ( 1.668 -0.592 8.589) 8.769 8.516 ( 3.406 3.336 26.083) 26.515 9.102 ( -8.336 -6.966 10.333) 14.993 10.043 ( -23.213 14.564 -9.201) 28.907 11.587 ( 7.607 -9.964 5.388) 13.644 12.068 ( -0.953 -0.525 24.395) 24.419 14.002 ( 9.737 -5.022 -18.957) 21.895 14.864 ( -3.542 1.491 -10.255) 10.951 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 23.689 -7.339 8.450) 26.200 2.957 ( 17.903 6.790 10.351) 21.766 3.261 ( 12.014 4.087 6.530) 14.272 4.030 ( -20.028 -7.674 7.559) 22.741 4.626 ( -0.799 -4.363 2.573) 5.128 4.888 ( 8.086 1.763 18.047) 19.855 5.436 ( -8.164 -8.396 4.179) 12.434 5.770 ( -9.251 -5.832 5.644) 12.307 6.266 ( 12.672 7.642 -10.314) 18.037 7.000 ( -8.951 11.298 -8.685) 16.828 8.361 ( 6.055 1.559 3.200) 7.024 8.576 ( 2.394 3.048 24.462) 24.767 9.003 ( -2.097 -2.409 10.634) 11.103 9.607 ( -21.443 12.622 -10.755) 27.107 11.713 ( 5.721 -7.630 10.266) 14.012 12.010 ( -4.412 -3.300 23.004) 23.655 14.214 ( 11.665 -5.040 -17.353) 21.508 14.770 ( -6.232 0.156 -10.990) 12.635 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 22.447 -7.023 8.489) 25.005 3.146 ( -1.712 1.383 11.862) 12.064 3.464 ( 8.799 2.954 2.943) 9.737 3.662 ( -15.303 -4.947 1.021) 16.115 4.665 ( 5.917 -4.875 -1.172) 7.755 4.844 ( -10.278 -4.168 1.061) 11.142 5.432 ( 7.088 -5.270 17.057) 19.208 5.597 ( -8.940 -5.364 13.250) 16.860 6.531 ( 14.034 10.150 -8.607) 19.340 6.790 ( -12.551 11.378 -7.499) 18.526 8.496 ( 6.944 2.274 7.323) 10.345 8.587 ( -1.921 2.276 18.671) 18.907 9.033 ( 5.852 3.222 3.788) 7.679 9.243 ( -15.657 9.118 -6.935) 19.401 11.816 ( 5.156 -6.109 14.712) 16.744 11.915 ( -5.158 -4.872 19.106) 20.381 14.434 ( 10.871 -3.740 -14.651) 18.623 14.625 ( -8.803 -1.801 -12.414) 15.325 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 4.421 4.421 18.580) 19.604 2.401 ( 17.724 17.724 12.484) 28.002 2.945 ( 8.981 8.981 12.250) 17.646 4.384 ( 6.698 6.698 42.046) 43.100 4.609 ( -7.899 -7.899 17.174) 20.488 4.632 ( -0.228 -0.228 -3.995) 4.008 5.470 ( 6.834 6.834 -8.460) 12.844 6.012 ( -11.073 -11.073 -11.679) 19.536 6.140 ( -4.683 -4.683 2.810) 7.194 7.272 ( 5.394 5.394 -15.140) 16.953 8.261 ( 0.093 0.093 10.933) 10.933 8.520 ( 3.520 3.520 26.900) 27.357 9.112 ( -9.232 -9.232 7.850) 15.234 10.608 ( -4.824 -4.824 1.050) 6.902 11.251 ( -0.677 -0.677 -6.837) 6.904 12.071 ( -0.077 -0.077 24.132) 24.132 13.832 ( 1.123 1.123 -16.537) 16.613 14.921 ( -0.747 -0.747 -9.731) 9.788 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 13.335 -2.881 14.502) 19.910 2.776 ( 20.200 14.337 11.481) 27.302 3.145 ( 11.484 8.094 7.804) 16.072 4.208 ( -18.759 -12.625 13.460) 26.314 4.602 ( -1.305 0.061 7.325) 7.440 4.713 ( 10.516 1.013 17.398) 20.355 5.452 ( -8.279 -7.044 9.194) 14.237 5.794 ( -10.936 -11.017 -8.589) 17.741 6.211 ( 11.294 10.165 -5.564) 16.182 7.320 ( -0.665 9.206 -14.378) 17.086 8.303 ( 4.351 2.833 5.238) 7.375 8.589 ( 3.500 3.954 26.564) 27.084 8.992 ( -3.244 -3.745 9.167) 10.420 10.317 ( -21.336 11.261 -3.079) 24.321 11.362 ( 8.660 -11.699 -1.797) 14.666 12.021 ( -4.717 -4.531 23.648) 24.536 13.921 ( 7.812 -2.369 -15.143) 17.203 14.870 ( -4.542 -1.390 -9.189) 10.344 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 20.707 -8.899 9.187) 24.339 3.125 ( 13.660 10.022 11.551) 20.505 3.373 ( 11.667 7.455 3.878) 14.379 3.814 ( -20.253 -14.374 2.677) 24.979 4.560 ( -1.937 -1.931 4.824) 5.546 4.875 ( 2.734 -3.158 17.032) 17.537 5.263 ( -7.059 -8.776 14.189) 18.116 5.603 ( -8.943 -11.123 -0.277) 14.275 6.487 ( 15.837 14.727 -8.934) 23.399 7.244 ( -7.050 12.706 -12.443) 19.131 8.423 ( 7.566 4.975 4.998) 10.343 8.645 ( 1.839 3.839 25.238) 25.595 8.989 ( 3.305 1.315 6.516) 7.424 9.877 ( -23.170 13.866 -6.637) 27.806 11.521 ( 7.559 -11.544 4.281) 14.448 11.909 ( -6.499 -7.131 19.673) 21.911 14.113 ( 11.535 -4.676 -12.756) 17.822 14.748 ( -8.033 -2.790 -8.911) 12.317 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 24.004 -11.795 5.932) 27.396 3.114 ( -17.108 -6.849 8.099) 20.129 3.557 ( 5.911 6.711 1.956) 9.154 3.592 ( -0.853 0.134 0.284) 0.909 4.575 ( 4.792 -3.873 8.285) 10.325 4.749 ( -11.602 -4.955 12.481) 17.746 5.290 ( 6.926 -9.319 11.795) 16.552 5.441 ( -8.163 -10.620 6.901) 15.068 6.790 ( 15.180 15.798 -9.407) 23.843 7.057 ( -12.134 15.071 -10.539) 22.032 8.563 ( 6.175 4.558 12.900) 15.011 8.644 ( -2.118 3.599 21.166) 21.574 9.139 ( 12.438 7.521 -1.195) 14.585 9.456 ( -19.863 12.180 -6.668) 24.236 11.656 ( 6.587 -10.108 9.579) 15.405 11.781 ( -6.576 -8.750 14.661) 18.296 14.345 ( 12.098 -5.183 -10.637) 16.923 14.566 ( -10.677 -4.306 -9.335) 14.821 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 4.737 4.737 14.176) 15.679 3.077 ( 15.995 15.995 12.224) 25.712 3.327 ( 10.557 10.557 3.674) 15.376 3.877 ( -20.326 -20.326 3.424) 28.949 4.615 ( -0.653 -0.653 -3.697) 3.811 4.730 ( 1.926 1.926 26.874) 27.012 5.289 ( -9.593 -9.593 23.920) 27.499 5.565 ( -11.981 -11.981 -10.905) 20.150 6.478 ( 16.247 16.247 -8.340) 24.444 7.449 ( 3.742 3.742 -15.296) 16.186 8.398 ( 6.806 6.806 4.716) 10.719 8.664 ( 3.766 3.766 26.659) 27.186 8.967 ( 1.225 1.225 6.855) 7.071 10.372 ( -7.315 -7.315 1.136) 10.407 11.227 ( -0.530 -0.530 -7.055) 7.095 11.901 ( -7.498 -7.498 19.658) 22.336 13.933 ( 3.705 3.705 -10.690) 11.905 14.803 ( -5.612 -5.612 -7.561) 10.962 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 13.945 -4.787 10.753) 18.249 3.261 ( -7.548 -3.089 9.046) 12.180 3.539 ( 10.296 8.889 1.205) 13.656 3.565 ( -1.027 -3.209 0.222) 3.376 4.557 ( -3.986 1.405 4.727) 6.341 4.779 ( 0.562 -6.353 23.032) 23.899 5.102 ( -7.927 -8.203 20.128) 23.136 5.359 ( -9.252 -13.758 -5.372) 17.428 6.802 ( 16.740 17.122 -9.990) 25.946 7.455 ( -3.102 8.584 -14.590) 17.209 8.543 ( 7.497 7.050 10.503) 14.704 8.722 ( 1.813 4.202 25.885) 26.287 9.056 ( 8.653 5.665 0.433) 10.352 10.084 ( -19.883 6.072 -2.169) 20.903 11.308 ( 6.873 -9.291 -3.276) 12.012 11.747 ( -8.154 -9.213 14.009) 18.645 14.055 ( 8.622 -1.008 -7.364) 11.383 14.659 ( -9.058 -6.323 -6.144) 12.640 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 20.771 -12.145 6.170) 24.840 2.879 ( -23.520 -15.811 3.301) 28.532 3.692 ( 6.789 9.174 2.076) 11.600 3.719 ( 4.950 9.869 0.037) 11.041 4.526 ( 2.464 -1.258 14.214) 14.481 4.665 ( -10.087 -3.767 21.577) 24.115 5.081 ( 4.558 -12.121 8.989) 15.764 5.202 ( -7.295 -13.839 3.050) 15.939 7.103 ( 14.156 15.889 -11.616) 24.244 7.333 ( -9.401 12.877 -13.218) 20.710 8.664 ( 4.766 5.654 18.585) 20.003 8.725 ( -1.566 4.749 23.358) 23.888 9.306 ( 16.873 9.417 -5.208) 20.012 9.679 ( -21.073 10.071 -5.452) 23.984 11.449 ( 7.459 -10.703 2.480) 13.279 11.594 ( -7.718 -10.246 8.183) 15.216 14.248 ( 10.998 -4.492 -5.714) 13.183 14.463 ( -10.992 -6.151 -5.425) 13.714 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 3.654 3.654 10.778) 11.953 2.958 ( -20.857 -20.857 1.808) 29.551 3.714 ( 12.201 12.201 8.139) 19.078 3.741 ( 10.781 10.781 -4.153) 15.802 4.585 ( -0.837 -0.837 -2.826) 3.064 4.659 ( -4.014 -4.014 35.238) 35.692 4.939 ( -8.721 -8.721 24.847) 27.739 5.102 ( -11.889 -11.889 -9.595) 19.358 7.120 ( 15.404 15.404 -11.892) 24.820 7.560 ( 2.051 2.051 -15.027) 15.305 8.674 ( 6.102 6.102 18.088) 20.041 8.796 ( 2.884 2.884 26.157) 26.473 9.217 ( 11.392 11.392 -6.202) 17.263 10.065 ( -8.190 -8.190 -0.288) 11.587 11.212 ( -0.248 -0.248 -7.390) 7.398 11.568 ( -9.090 -9.090 7.444) 14.855 14.079 ( 3.445 3.445 -3.308) 5.889 14.513 ( -8.616 -8.616 -3.580) 12.700 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 12.787 -7.263 8.055) 16.767 2.564 ( -19.150 -15.820 4.065) 25.169 3.908 ( 7.054 12.575 0.066) 14.418 3.928 ( 6.042 11.592 -2.317) 13.276 4.522 ( -1.000 0.717 17.475) 17.518 4.601 ( -6.237 -3.092 26.018) 26.933 4.835 ( 0.726 -13.045 11.310) 17.280 4.923 ( -7.007 -14.666 -0.545) 16.263 7.377 ( 10.965 12.119 -13.514) 21.207 7.532 ( -4.869 7.422 -14.535) 17.031 8.771 ( 3.895 5.243 22.680) 23.602 8.817 ( -0.749 4.423 25.037) 25.435 9.489 ( 16.292 9.455 -7.033) 20.107 9.813 ( -16.294 3.276 -3.587) 17.003 11.273 ( 5.622 -6.783 -4.548) 9.915 11.405 ( -7.791 -8.991 1.051) 11.944 14.183 ( 7.089 -2.087 -1.556) 7.552 14.340 ( -8.933 -6.325 -1.857) 11.102 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 1.395 1.395 8.813) 9.031 2.305 ( -10.271 -10.271 6.998) 16.124 4.139 ( 9.168 9.168 -11.549) 17.364 4.141 ( 9.152 9.152 -1.802) 13.067 4.526 ( -2.084 -2.084 42.734) 42.835 4.559 ( -0.402 -0.402 -2.000) 2.079 4.607 ( -7.999 -7.999 30.215) 32.263 4.672 ( -9.627 -9.627 -5.759) 14.782 7.556 ( 6.191 6.191 -14.479) 16.920 7.610 ( 0.629 0.629 -14.778) 14.804 8.854 ( 3.028 3.028 24.894) 25.260 8.875 ( 1.083 1.083 25.779) 25.825 9.664 ( 8.490 8.490 -6.023) 13.433 9.797 ( -4.562 -4.562 -3.685) 7.430 11.206 ( -0.055 -0.055 -7.662) 7.662 11.262 ( -5.487 -5.487 -5.041) 9.253 14.175 ( 1.334 1.334 0.623) 1.987 14.233 ( -4.543 -4.543 0.411) 6.438 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.000 0.000 23.280) 23.280 2.031 ( 0.000 -0.000 23.280) 23.280 3.022 ( 0.000 0.000 24.517) 24.517 4.568 ( 0.000 0.000 -2.934) 2.934 4.568 ( 0.000 0.000 -2.934) 2.934 4.768 ( 0.000 0.000 51.936) 51.936 5.871 ( 0.000 0.000 40.052) 40.052 6.364 ( -0.000 0.000 -19.176) 19.176 6.364 ( 0.000 0.000 -19.176) 19.176 6.541 ( -0.000 0.000 -13.811) 13.811 8.895 ( 0.000 0.000 26.049) 26.049 8.895 ( 0.000 0.000 26.049) 26.049 10.582 ( -0.000 -0.000 8.868) 8.868 10.857 ( 0.000 0.000 -0.410) 0.410 11.140 ( -0.000 -0.000 -7.586) 7.586 11.140 ( 0.000 0.000 -7.586) 7.586 13.719 ( 0.000 0.000 -6.088) 6.088 14.705 ( 0.000 0.000 -11.467) 11.467 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 0.972 0.000 22.044) 22.065 2.116 ( 8.700 0.000 21.333) 23.039 3.052 ( 2.981 0.000 23.523) 23.711 4.555 ( -1.388 0.000 -3.146) 3.439 4.650 ( 8.666 0.000 -3.069) 9.193 4.869 ( 9.539 0.000 47.159) 48.114 5.704 ( -15.471 0.000 24.254) 28.768 6.304 ( -3.826 0.000 -3.859) 5.434 6.314 ( -5.056 0.000 -17.640) 18.350 6.673 ( 9.523 0.000 -12.909) 16.042 8.842 ( -5.801 0.000 23.671) 24.371 8.906 ( 1.115 0.000 25.890) 25.914 10.143 ( -27.798 0.000 6.119) 28.464 10.549 ( -22.372 0.000 -6.367) 23.260 11.375 ( 14.960 0.000 -1.542) 15.039 11.621 ( 32.271 0.000 -0.697) 32.279 13.679 ( -3.719 0.000 -7.425) 8.305 14.698 ( -0.813 0.000 -11.563) 11.592 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 5.924 0.000 18.053) 19.000 2.354 ( 15.608 0.000 16.768) 22.908 3.132 ( 5.367 0.000 20.435) 21.128 4.508 ( -3.713 0.000 -3.841) 5.342 4.886 ( 14.710 0.000 -6.721) 16.172 5.091 ( 12.376 0.000 37.914) 39.882 5.342 ( -20.951 0.000 9.557) 23.028 6.181 ( -7.950 0.000 -11.625) 14.083 6.228 ( -4.202 0.000 5.066) 6.582 6.833 ( 6.352 0.000 -5.853) 8.637 8.667 ( -11.872 0.000 15.255) 19.331 8.936 ( 1.879 0.000 25.066) 25.136 9.716 ( -15.622 0.000 11.633) 19.477 10.091 ( -24.524 0.000 -9.886) 26.441 11.636 ( 11.977 0.000 2.700) 12.277 12.176 ( 23.416 0.000 7.614) 24.622 13.611 ( -2.023 0.000 -12.700) 12.860 14.671 ( -2.035 0.000 -11.837) 12.011 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 14.157 0.000 11.788) 18.422 2.699 ( 19.648 0.000 12.091) 23.070 3.257 ( 7.454 0.000 15.876) 17.539 4.391 ( -9.435 0.000 -5.064) 10.708 4.938 ( -19.651 0.000 2.592) 19.821 5.125 ( 5.759 0.000 -3.576) 6.779 5.319 ( 12.065 0.000 12.986) 17.725 6.071 ( -0.963 0.000 4.513) 4.614 6.141 ( -4.852 0.000 6.809) 8.361 6.902 ( 0.607 0.000 1.310) 1.443 8.438 ( -10.268 0.000 4.654) 11.273 8.963 ( -0.002 0.000 20.963) 20.963 9.517 ( -6.281 0.000 18.221) 19.273 9.637 ( -21.312 0.000 -8.772) 23.047 11.840 ( 9.371 0.000 5.999) 11.127 12.466 ( 6.214 0.000 17.011) 18.111 13.658 ( 7.708 0.000 -19.791) 21.239 14.615 ( -3.940 0.000 -12.306) 12.921 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 21.523 0.000 5.777) 22.285 3.083 ( 19.230 0.000 9.656) 21.518 3.408 ( 7.698 0.000 11.304) 13.676 4.102 ( -20.669 0.000 -5.871) 21.487 4.648 ( -9.495 0.000 -2.080) 9.721 5.027 ( -13.248 0.000 -6.844) 14.912 5.569 ( 12.584 0.000 -1.334) 12.655 6.042 ( -5.392 0.000 5.979) 8.051 6.190 ( 11.913 0.000 18.914) 22.353 6.855 ( -5.488 0.000 7.658) 9.422 8.315 ( -1.923 0.000 -3.444) 3.944 8.866 ( -11.540 0.000 2.270) 11.761 9.353 ( -6.440 0.000 8.578) 10.727 9.433 ( -3.208 0.000 21.679) 21.915 12.006 ( 8.152 0.000 8.877) 12.052 12.457 ( -5.275 0.000 18.108) 18.860 13.879 ( 13.713 0.000 -19.747) 24.042 14.515 ( -6.577 0.000 -13.100) 14.659 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 24.608 0.000 3.274) 24.825 3.369 ( 6.433 0.000 12.420) 13.987 3.522 ( 3.134 0.000 6.469) 7.188 3.662 ( -21.268 0.000 -7.344) 22.500 4.574 ( 2.120 0.000 -6.672) 7.001 4.739 ( -13.963 0.000 -9.280) 16.765 5.779 ( 9.206 0.000 0.920) 9.252 5.929 ( -6.583 0.000 3.924) 7.664 6.453 ( 13.980 0.000 17.825) 22.654 6.696 ( -10.750 0.000 13.147) 16.983 8.371 ( 7.557 0.000 -8.604) 11.452 8.590 ( -14.419 0.000 -9.362) 17.192 9.331 ( 1.803 0.000 20.863) 20.941 9.378 ( -2.684 0.000 22.740) 22.898 12.161 ( 8.132 0.000 11.796) 14.327 12.320 ( -8.129 0.000 15.045) 17.100 14.140 ( 12.764 0.000 -16.773) 21.077 14.358 ( -9.732 0.000 -14.487) 17.452 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.841 0.841 21.440) 21.473 2.188 ( 8.023 8.023 19.244) 22.339 3.082 ( 3.040 3.040 22.638) 23.043 4.566 ( -0.093 -0.093 -3.023) 3.026 4.713 ( 7.180 7.180 -6.253) 11.925 4.946 ( 7.533 7.533 45.571) 46.800 5.571 ( -12.816 -12.816 18.279) 25.741 6.125 ( -8.615 -8.615 -15.881) 20.016 6.438 ( 1.855 1.855 6.459) 6.972 6.725 ( 5.794 5.794 -17.019) 18.888 8.757 ( -7.719 -7.719 20.105) 22.877 8.939 ( 2.171 2.171 25.968) 26.149 9.818 ( -20.280 -20.280 4.690) 29.061 10.758 ( -2.172 -2.172 0.667) 3.143 11.131 ( -0.483 -0.483 -7.558) 7.588 11.969 ( 21.742 21.742 4.660) 31.099 13.631 ( -4.326 -4.326 -8.749) 10.676 14.700 ( 0.077 0.077 -11.676) 11.677 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 4.726 -0.361 18.179) 18.787 2.420 ( 15.636 7.291 15.005) 22.865 3.163 ( 5.299 3.041 19.798) 20.719 4.532 ( -3.735 1.968 -3.589) 5.541 4.879 ( 5.858 -3.110 -9.529) 11.610 5.126 ( 9.944 3.365 35.547) 37.065 5.295 ( -11.369 -2.057 10.960) 15.925 5.970 ( -7.557 -11.608 -12.050) 18.359 6.400 ( -4.351 6.814 13.723) 15.927 6.854 ( 6.052 2.524 -12.189) 13.840 8.562 ( -11.573 -9.131 10.461) 18.076 8.981 ( 2.257 3.582 25.539) 25.887 9.515 ( -10.872 -11.862 10.299) 19.104 10.386 ( -25.257 20.522 -3.988) 32.787 11.393 ( 16.547 -19.488 -1.485) 25.608 12.337 ( 14.925 11.239 12.294) 22.365 13.558 ( -1.630 -4.379 -13.771) 14.542 14.691 ( -1.324 1.549 -11.843) 12.017 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 12.270 -3.138 12.527) 17.814 2.768 ( 19.861 7.201 10.750) 23.705 3.285 ( 7.218 2.754 15.411) 17.240 4.387 ( -13.041 -1.419 -5.004) 14.040 4.758 ( -12.333 -13.352 -2.302) 18.321 5.257 ( -1.198 8.959 5.281) 10.469 5.324 ( 11.624 0.695 9.047) 14.746 5.875 ( -0.429 -11.203 0.302) 11.215 6.313 ( -3.568 8.442 16.404) 18.791 6.926 ( 1.047 2.638 -5.056) 5.797 8.366 ( -7.498 -5.648 0.984) 9.439 9.017 ( 0.675 4.523 22.766) 23.220 9.369 ( -5.243 -6.871 13.806) 16.288 9.911 ( -22.666 18.854 -2.597) 29.597 11.672 ( 12.412 -15.531 3.039) 20.113 12.490 ( 0.693 0.520 18.379) 18.399 13.626 ( 9.033 -2.184 -18.683) 20.866 14.642 ( -3.903 2.166 -11.971) 12.776 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 19.640 -6.548 6.540) 21.711 3.152 ( 18.761 6.589 8.797) 21.743 3.431 ( 7.467 2.325 10.759) 13.301 4.014 ( -23.692 -9.476 -6.073) 26.229 4.593 ( -4.746 -3.678 -3.190) 6.799 5.084 ( -14.730 4.191 -4.224) 15.886 5.549 ( 10.882 -2.258 3.123) 11.545 5.917 ( 0.952 -8.162 8.268) 11.657 6.324 ( 6.254 9.015 16.687) 19.971 6.889 ( -4.838 3.652 1.330) 6.206 8.304 ( 1.377 0.005 -5.289) 5.465 8.944 ( -9.924 6.703 7.406) 14.081 9.307 ( -0.533 -1.924 17.043) 17.160 9.570 ( -11.855 11.233 10.310) 19.313 11.882 ( 9.817 -12.064 6.616) 16.902 12.408 ( -7.609 -5.526 16.922) 19.360 13.865 ( 14.336 -0.859 -17.252) 22.447 14.537 ( -7.068 1.745 -12.268) 14.265 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 23.986 -9.146 2.838) 25.827 3.385 ( -4.464 -0.838 11.695) 12.545 3.536 ( 1.960 0.900 2.947) 3.652 3.592 ( -10.642 -4.265 -4.300) 12.244 4.582 ( 4.563 1.042 -5.440) 7.177 4.780 ( -14.827 3.280 -6.596) 16.556 5.733 ( 8.231 -4.673 5.583) 10.989 5.865 ( -5.357 -5.933 7.554) 10.999 6.523 ( 12.320 6.681 12.339) 18.673 6.744 ( -9.920 4.945 7.025) 13.122 8.419 ( 10.231 5.184 -8.384) 14.207 8.675 ( -15.421 8.084 -6.606) 18.623 9.342 ( 3.360 1.371 21.388) 21.694 9.422 ( -5.081 4.267 20.130) 21.195 12.062 ( 9.173 -9.875 9.881) 16.711 12.240 ( -9.259 -8.139 13.320) 18.149 14.138 ( 13.371 -0.183 -14.694) 19.868 14.368 ( -10.418 0.770 -13.064) 16.727 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 1.891 1.891 16.848) 17.058 2.637 ( 14.872 14.872 11.523) 23.982 3.242 ( 5.088 5.088 17.522) 18.942 4.560 ( -0.229 -0.229 -3.124) 3.141 4.670 ( -17.220 -17.220 -7.034) 25.349 5.208 ( 5.422 5.422 21.636) 22.954 5.375 ( 8.738 8.738 14.408) 18.981 5.757 ( -10.359 -10.359 -13.840) 20.154 6.453 ( -0.563 -0.563 26.179) 26.191 6.932 ( 4.863 4.863 -18.718) 19.942 8.381 ( -8.185 -8.185 2.080) 11.761 9.051 ( 3.474 3.474 25.783) 26.247 9.349 ( -5.594 -5.594 14.304) 16.346 10.631 ( -4.547 -4.547 1.379) 6.576 11.107 ( -0.706 -0.706 -7.504) 7.570 12.486 ( 2.624 2.624 17.971) 18.350 13.508 ( 1.022 1.022 -15.904) 15.969 14.708 ( -0.238 -0.238 -11.543) 11.548 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 8.179 -2.393 13.046) 15.582 2.968 ( 18.688 13.147 8.313) 24.315 3.357 ( 6.739 4.652 13.598) 15.873 4.231 ( -24.595 -16.919 -6.082) 30.466 4.571 ( -0.995 -3.633 -3.046) 4.844 5.326 ( 5.237 0.666 23.512) 24.097 5.422 ( -7.886 4.810 -8.555) 12.590 5.682 ( 5.664 -7.624 2.667) 9.865 6.432 ( -0.085 4.523 24.219) 24.638 7.004 ( 1.917 5.085 -16.049) 16.944 8.287 ( -0.972 -1.418 -3.977) 4.333 9.108 ( 1.895 4.667 24.562) 25.073 9.281 ( -1.726 -2.652 16.455) 16.756 10.270 ( -24.324 16.426 -1.211) 29.375 11.318 ( 14.649 -19.115 -2.622) 24.225 12.427 ( -7.734 -7.435 17.152) 20.231 13.625 ( 10.418 2.851 -14.178) 17.823 14.670 ( -3.875 0.171 -10.833) 11.506 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 15.499 -7.395 7.811) 18.865 3.316 ( 15.921 10.136 7.448) 20.290 3.493 ( 6.773 3.990 8.622) 11.667 3.744 ( -24.792 -17.587 -6.333) 31.049 4.552 ( -0.255 -0.773 -2.703) 2.823 5.137 ( -15.948 0.497 -3.565) 16.349 5.480 ( 7.071 -4.643 13.811) 16.195 5.771 ( 1.001 -6.980 12.208) 14.098 6.500 ( 7.516 9.477 12.513) 17.404 6.992 ( -3.367 6.571 -10.750) 13.041 8.353 ( 7.678 5.491 -7.047) 11.780 9.076 ( -6.314 6.461 14.720) 17.271 9.295 ( 3.251 0.499 20.040) 20.308 9.827 ( -20.043 14.455 3.181) 24.916 11.581 ( 12.471 -18.153 1.644) 22.086 12.236 ( -11.157 -12.051 13.000) 20.945 13.868 ( 13.933 1.452 -11.331) 18.017 14.557 ( -7.739 -0.056 -10.074) 12.704 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 21.302 -11.933 2.961) 24.595 3.221 ( -23.905 -14.317 0.967) 27.881 3.577 ( 6.826 4.893 1.559) 8.542 3.615 ( 2.763 4.226 4.868) 7.014 4.606 ( 7.119 1.034 -2.757) 7.704 4.829 ( -14.968 1.211 -3.547) 15.430 5.613 ( 6.595 -7.277 15.178) 18.078 5.726 ( -4.780 -8.057 15.342) 17.976 6.688 ( 10.752 9.947 2.030) 14.787 6.877 ( -8.284 8.378 -4.851) 12.741 8.570 ( 14.271 10.295 -6.739) 18.843 8.864 ( -14.757 10.684 0.011) 18.219 9.386 ( 5.939 3.038 20.573) 21.628 9.535 ( -10.460 7.317 14.746) 19.504 11.805 ( 11.122 -16.119 5.338) 20.298 12.019 ( -11.210 -14.316 9.002) 20.289 14.136 ( 13.466 0.044 -9.943) 16.739 14.375 ( -11.105 -0.332 -9.665) 14.725 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 2.646 2.646 11.861) 12.438 3.252 ( 15.653 15.653 5.894) 22.908 3.462 ( 6.178 6.178 10.230) 13.453 3.820 ( -23.667 -23.667 -5.873) 33.982 4.548 ( -0.391 -0.391 -2.958) 3.010 5.340 ( -11.102 -11.102 -11.673) 19.564 5.345 ( 1.375 1.375 24.053) 24.131 5.652 ( 1.653 1.653 15.620) 15.794 6.530 ( 6.654 6.654 16.258) 18.785 7.093 ( 3.448 3.448 -19.965) 20.552 8.331 ( 6.085 6.085 -6.748) 10.936 9.191 ( 3.632 3.632 25.546) 26.058 9.254 ( -0.102 -0.102 16.766) 16.766 10.402 ( -7.304 -7.304 2.176) 10.556 11.080 ( -0.617 -0.617 -7.491) 7.541 12.225 ( -12.699 -12.699 12.587) 21.931 13.735 ( 8.192 8.192 -8.675) 14.473 14.636 ( -3.796 -3.796 -9.100) 10.565 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 9.682 -3.857 8.759) 13.614 3.355 ( -23.491 -19.622 -2.216) 30.688 3.535 ( 12.049 11.020 1.854) 16.433 3.596 ( 7.601 5.497 5.784) 11.021 4.544 ( 0.530 -0.449 -2.429) 2.527 5.085 ( -14.326 -5.978 -7.719) 17.336 5.393 ( 3.455 -3.710 24.411) 24.932 5.647 ( -2.375 -5.879 23.534) 24.373 6.695 ( 9.989 10.709 2.090) 14.793 7.118 ( -1.193 5.866 -18.464) 19.410 8.517 ( 12.850 11.374 -7.148) 18.590 9.194 ( -3.223 6.009 18.440) 19.661 9.314 ( 5.590 1.091 20.705) 21.475 10.071 ( -21.660 8.939 1.733) 23.496 11.234 ( 12.020 -15.983 -4.103) 20.415 11.967 ( -13.527 -15.193 7.931) 21.833 13.922 ( 10.834 4.072 -5.711) 12.907 14.525 ( -7.584 -3.368 -7.273) 11.034 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 16.274 -10.294 4.490) 19.773 2.921 ( -21.081 -15.805 0.269) 26.350 3.695 ( 5.175 6.772 1.649) 8.681 3.723 ( 3.073 6.886 1.328) 7.656 4.608 ( 7.048 -1.120 -1.982) 7.406 4.812 ( -13.277 -3.080 -4.029) 14.212 5.476 ( 4.948 -6.423 25.379) 26.643 5.573 ( -4.849 -7.368 25.948) 27.406 6.890 ( 9.604 10.548 -7.933) 16.322 7.045 ( -6.189 8.501 -14.306) 17.754 8.802 ( 15.716 13.414 -3.335) 20.930 9.067 ( -10.475 10.265 8.079) 16.744 9.449 ( 8.870 3.251 18.148) 20.459 9.687 ( -16.572 7.740 8.492) 20.166 11.472 ( 12.426 -17.526 -0.139) 21.484 11.714 ( -12.779 -16.700 3.750) 21.360 14.140 ( 11.419 0.334 -5.068) 12.497 14.351 ( -10.259 -2.135 -5.793) 11.974 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 2.369 2.369 8.465) 9.104 2.973 ( -19.084 -19.084 -0.887) 27.004 3.711 ( 6.669 6.669 1.990) 9.639 3.749 ( 9.442 9.442 -0.300) 13.356 4.531 ( -0.445 -0.445 -2.509) 2.587 4.921 ( -10.378 -10.378 -8.640) 17.030 5.354 ( -0.225 -0.225 31.026) 31.027 5.544 ( -4.967 -4.967 32.716) 33.462 6.901 ( 10.312 10.312 -8.213) 16.737 7.196 ( 1.914 1.914 -20.849) 21.024 8.779 ( 15.287 15.287 -4.996) 22.189 9.317 ( 2.728 2.728 25.285) 25.578 9.322 ( 3.716 3.716 13.063) 14.080 10.081 ( -9.105 -9.105 2.700) 13.157 11.061 ( -0.363 -0.363 -7.549) 7.566 11.673 ( -14.972 -14.972 3.030) 21.390 14.021 ( 6.064 6.064 -2.451) 8.919 14.431 ( -6.152 -6.152 -4.563) 9.824 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 9.284 -5.545 6.332) 12.531 2.639 ( -15.169 -12.918 2.808) 20.121 3.829 ( 4.975 7.034 -1.838) 8.809 3.867 ( 1.927 7.463 -3.095) 8.307 4.563 ( 4.707 -3.218 -2.594) 6.265 4.714 ( -10.216 -6.707 -5.418) 13.368 5.381 ( 2.874 -3.154 34.501) 34.764 5.453 ( -4.366 -4.955 35.569) 36.177 7.077 ( 7.641 8.537 -15.448) 19.233 7.184 ( -3.214 5.454 -19.600) 20.597 9.070 ( 13.593 13.858 3.228) 19.678 9.258 ( -5.913 9.560 15.337) 19.015 9.499 ( 12.021 1.812 12.574) 17.490 9.794 ( -17.475 2.184 3.940) 18.046 11.174 ( 9.979 -12.082 -5.290) 16.539 11.401 ( -13.142 -15.154 -1.426) 20.110 14.152 ( 7.366 1.008 -1.573) 7.600 14.297 ( -7.524 -3.257 -2.484) 8.567 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.952 0.952 6.965) 7.094 2.439 ( -7.591 -7.591 5.588) 12.103 3.950 ( 4.802 4.802 -6.100) 9.129 3.976 ( 2.688 2.688 -7.108) 8.061 4.518 ( -0.211 -0.211 -2.111) 2.132 4.581 ( -6.198 -6.198 -3.802) 9.555 5.354 ( 0.163 0.163 39.656) 39.657 5.381 ( -2.585 -2.585 40.140) 40.306 7.205 ( 4.498 4.498 -19.912) 20.903 7.244 ( 0.589 0.589 -21.316) 21.332 9.300 ( 9.042 9.042 15.555) 20.136 9.391 ( 1.015 1.015 25.097) 25.138 9.562 ( 7.590 7.590 -2.670) 11.061 9.740 ( -7.642 -7.642 -0.026) 10.808 11.052 ( -0.110 -0.110 -7.621) 7.622 11.154 ( -9.826 -9.826 -5.710) 15.024 14.182 ( 2.147 2.147 0.001) 3.036 14.234 ( -3.159 -3.159 -0.394) 4.485 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.000 -0.000 20.379) 20.379 2.468 ( -0.000 0.000 20.379) 20.379 3.521 ( 0.000 0.000 25.447) 25.447 4.523 ( 0.000 0.000 -1.309) 1.309 4.523 ( 0.000 0.000 -1.309) 1.309 5.738 ( 0.000 0.000 45.140) 45.140 5.966 ( -0.000 -0.000 -20.454) 20.454 5.966 ( 0.000 0.000 -20.454) 20.454 6.236 ( 0.000 0.000 -16.784) 16.784 6.618 ( 0.000 0.000 34.237) 34.237 9.383 ( -0.000 -0.000 22.567) 22.567 9.383 ( -0.000 -0.000 22.567) 22.567 10.746 ( -0.000 -0.000 7.141) 7.141 10.835 ( 0.000 0.000 -1.736) 1.736 10.987 ( 0.000 0.000 -7.776) 7.776 10.987 ( 0.000 0.000 -7.776) 7.776 13.607 ( 0.000 0.000 -4.832) 4.832 14.460 ( -0.000 -0.000 -12.985) 12.985 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -1.227 0.000 19.598) 19.636 2.520 ( 5.450 0.000 18.968) 19.735 3.536 ( 1.341 0.000 24.903) 24.939 4.506 ( -1.931 0.000 -1.596) 2.505 4.563 ( 4.320 0.000 -3.633) 5.644 5.703 ( -4.051 0.000 20.021) 20.427 5.714 ( -20.095 0.000 -14.159) 24.582 6.040 ( 7.681 0.000 4.669) 8.989 6.259 ( -0.788 0.000 -14.323) 14.345 6.765 ( 12.336 0.000 26.252) 29.006 9.275 ( -12.095 0.000 19.481) 22.930 9.389 ( 0.499 0.000 22.217) 22.223 10.250 ( -23.979 0.000 4.438) 24.387 10.410 ( -26.427 0.000 -7.415) 27.448 11.341 ( 19.498 0.000 -1.819) 19.583 11.593 ( 36.484 0.000 -1.990) 36.538 13.552 ( -5.470 0.000 -5.031) 7.432 14.451 ( -0.973 0.000 -13.056) 13.093 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 0.925 0.000 16.712) 16.738 2.676 ( 10.637 0.000 15.169) 18.527 3.565 ( 1.711 0.000 22.854) 22.918 4.442 ( -5.037 0.000 -2.591) 5.665 4.691 ( 8.638 0.000 -9.258) 12.662 5.292 ( -22.684 0.000 -10.117) 24.838 5.578 ( -8.602 0.000 -1.402) 8.716 6.203 ( -4.447 0.000 -11.308) 12.151 6.246 ( 13.033 0.000 26.710) 29.720 7.001 ( 10.947 0.000 21.644) 24.255 8.921 ( -22.393 0.000 10.467) 24.719 9.383 ( -2.535 0.000 18.575) 18.748 9.912 ( -23.357 0.000 -7.100) 24.413 9.954 ( -8.035 0.000 11.648) 14.151 11.676 ( 15.254 0.000 1.429) 15.321 12.259 ( 31.678 0.000 0.729) 31.686 13.411 ( -8.533 0.000 -6.908) 10.978 14.421 ( -2.282 0.000 -13.192) 13.388 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 7.127 0.000 11.155) 13.237 2.924 ( 14.911 0.000 10.038) 17.975 3.606 ( 2.655 0.000 18.999) 19.183 4.289 ( -11.696 0.000 -4.657) 12.589 4.854 ( 5.946 0.000 -14.868) 16.013 4.878 ( -19.153 0.000 -6.444) 20.208 5.404 ( -7.507 0.000 -6.838) 10.154 6.098 ( -6.303 0.000 -10.876) 12.570 6.516 ( 14.389 0.000 33.411) 36.377 7.161 ( 5.461 0.000 22.017) 22.685 8.512 ( -18.281 0.000 3.186) 18.557 9.165 ( -20.491 0.000 -2.641) 20.661 9.655 ( -2.447 0.000 12.252) 12.494 9.868 ( -2.255 0.000 16.119) 16.276 11.935 ( 11.890 0.000 3.718) 12.458 12.749 ( 15.365 0.000 10.859) 18.815 13.288 ( -0.281 0.000 -16.405) 16.408 14.359 ( -4.268 0.000 -13.256) 13.926 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 14.870 0.000 3.837) 15.357 3.234 ( 16.518 0.000 4.411) 17.097 3.667 ( 3.339 0.000 14.464) 14.844 3.974 ( -20.359 0.000 -5.140) 20.997 4.590 ( -10.682 0.000 -3.264) 11.170 4.803 ( -11.101 0.000 -13.169) 17.224 5.404 ( 7.672 0.000 -11.268) 13.632 5.964 ( -7.690 0.000 -11.692) 13.994 6.781 ( 12.739 0.000 33.689) 36.017 7.207 ( -0.666 0.000 24.004) 24.013 8.258 ( -7.679 0.000 -2.074) 7.954 8.743 ( -21.003 0.000 -9.212) 22.934 9.684 ( 3.379 0.000 18.947) 19.246 9.837 ( -1.332 0.000 18.214) 18.262 12.146 ( 10.355 0.000 5.296) 11.631 12.762 ( -8.828 0.000 12.321) 15.157 13.499 ( 17.458 0.000 -17.710) 24.868 14.250 ( -7.166 0.000 -13.249) 15.063 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 20.579 0.000 -3.661) 20.902 3.447 ( -7.921 0.000 -11.298) 13.798 3.626 ( -2.645 0.000 11.018) 11.332 3.703 ( -1.004 0.000 10.933) 10.979 4.465 ( -1.683 0.000 -3.989) 4.329 4.558 ( -10.996 0.000 -8.218) 13.727 5.601 ( 11.001 0.000 -13.828) 17.670 5.800 ( -9.434 0.000 -13.126) 16.164 6.996 ( 9.497 0.000 30.697) 32.133 7.143 ( -5.694 0.000 26.880) 27.477 8.223 ( 3.991 0.000 -5.747) 6.996 8.400 ( -13.971 0.000 -8.304) 16.252 9.752 ( 3.336 0.000 19.808) 20.087 9.806 ( -2.132 0.000 19.384) 19.501 12.345 ( 10.573 0.000 6.672) 12.502 12.556 ( -11.301 0.000 8.556) 14.175 13.824 ( 15.274 0.000 -14.403) 20.994 14.077 ( -10.975 0.000 -13.426) 17.341 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -0.952 -0.952 18.685) 18.734 2.560 ( 4.862 4.862 17.789) 19.072 3.554 ( 1.620 1.620 24.462) 24.569 4.521 ( -0.141 -0.141 -1.332) 1.346 4.569 ( 2.126 2.126 -6.560) 7.216 5.500 ( -13.671 -13.671 -5.100) 19.995 5.786 ( -7.278 -7.278 -17.958) 20.699 5.942 ( 3.812 3.812 37.868) 38.250 6.364 ( 4.608 4.608 -19.098) 20.180 6.840 ( 7.560 7.560 27.830) 29.813 9.098 ( -16.697 -16.697 13.674) 27.286 9.423 ( 2.037 2.037 22.377) 22.561 9.909 ( -14.949 -14.949 4.436) 21.602 10.774 ( -1.751 -1.751 1.038) 2.686 10.978 ( -0.425 -0.425 -7.685) 7.708 12.024 ( 26.638 26.638 1.039) 37.686 13.488 ( -6.338 -6.338 -5.355) 10.441 14.452 ( -0.053 -0.053 -13.112) 13.112 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 0.330 -1.152 16.050) 16.095 2.713 ( 10.834 4.404 14.036) 18.269 3.589 ( 1.969 2.164 22.711) 22.899 4.463 ( -5.844 1.913 -3.478) 7.065 4.652 ( 4.473 -4.984 -10.649) 12.579 5.202 ( -14.959 -6.544 -7.449) 17.947 5.583 ( -11.002 -2.046 -10.795) 15.548 6.086 ( 6.463 -2.531 28.816) 29.640 6.416 ( 2.871 8.481 -9.456) 13.022 7.011 ( 8.839 1.205 25.668) 27.174 8.709 ( -21.037 -17.363 4.734) 27.684 9.450 ( -0.062 4.673 20.834) 21.351 9.713 ( -7.168 -7.065 8.806) 13.373 10.332 ( -24.330 23.101 -1.096) 33.568 11.357 ( 21.006 -24.867 -2.027) 32.615 12.514 ( 23.288 18.413 5.160) 30.133 13.332 ( -8.769 -7.395 -8.131) 14.060 14.441 ( -1.340 1.688 -13.120) 13.296 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 5.840 -2.755 11.084) 12.828 2.968 ( 15.299 4.758 8.854) 18.305 3.632 ( 2.575 2.378 19.192) 19.509 4.264 ( -15.635 -3.907 -6.797) 17.490 4.644 ( -5.711 -11.046 -7.155) 14.346 5.039 ( -2.673 7.698 -11.694) 14.253 5.391 ( -6.975 -1.936 -8.915) 11.484 6.108 ( -3.828 1.564 2.701) 4.939 6.548 ( 10.418 2.888 18.779) 21.668 7.144 ( 4.439 -1.991 24.169) 24.654 8.363 ( -13.693 -10.938 -0.779) 17.543 9.314 ( -16.617 10.833 4.274) 20.292 9.635 ( 0.462 -1.299 15.524) 15.585 9.991 ( -10.137 12.015 9.554) 18.396 11.710 ( 15.749 -20.193 0.885) 25.623 12.814 ( 2.649 1.821 14.511) 14.863 13.264 ( 7.119 0.322 -17.481) 18.877 14.393 ( -3.797 2.935 -12.872) 13.737 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 13.089 -5.439 4.388) 14.838 3.278 ( 15.851 4.206 2.748) 16.628 3.686 ( 2.569 1.736 14.439) 14.768 3.888 ( -21.279 -8.653 -4.370) 23.383 4.525 ( -5.219 -3.360 -3.188) 6.977 4.894 ( -13.023 5.917 -11.878) 18.593 5.417 ( 8.309 1.190 -11.349) 14.116 5.986 ( -8.054 2.546 -7.404) 11.233 6.764 ( 11.169 -1.415 27.385) 29.609 7.175 ( -1.148 -3.412 23.928) 24.197 8.207 ( -2.289 -2.248 -3.965) 5.100 8.911 ( -22.093 14.164 -5.744) 26.864 9.688 ( 3.926 0.558 19.420) 19.821 9.881 ( -3.215 4.431 16.643) 17.520 11.977 ( 12.520 -16.059 3.080) 20.595 12.677 ( -11.740 -9.226 9.644) 17.775 13.550 ( 17.585 5.216 -13.484) 22.765 14.289 ( -7.079 3.417 -12.390) 14.673 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 19.073 -8.392 -2.713) 21.013 3.366 ( -16.968 -8.869 -10.954) 22.058 3.634 ( 5.990 2.013 11.297) 12.945 3.728 ( -1.084 1.996 10.925) 11.159 4.481 ( 1.936 2.160 -4.210) 5.112 4.628 ( -12.482 5.327 -7.807) 15.656 5.612 ( 10.779 1.279 -12.710) 16.714 5.812 ( -9.816 1.567 -11.079) 14.885 6.961 ( 9.037 -3.152 26.767) 28.426 7.106 ( -5.816 -3.611 24.799) 25.727 8.272 ( 8.657 5.687 -5.638) 11.793 8.525 ( -17.183 11.435 -6.710) 21.703 9.765 ( 3.735 1.269 19.759) 20.149 9.827 ( -2.801 2.202 18.942) 19.274 12.208 ( 11.788 -13.421 4.803) 18.498 12.440 ( -12.364 -11.640 6.624) 18.227 13.868 ( 14.889 4.108 -11.905) 19.501 14.117 ( -10.918 3.581 -11.917) 16.554 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -0.978 -0.978 14.043) 14.111 2.860 ( 10.753 10.753 10.628) 18.553 3.636 ( 2.530 2.530 21.716) 22.009 4.440 ( -14.236 -14.236 -13.755) 24.383 4.513 ( -0.269 -0.269 -1.465) 1.513 5.140 ( 1.019 1.019 -7.646) 7.780 5.466 ( -9.076 -9.076 -15.216) 19.907 6.122 ( 4.314 4.314 39.061) 39.535 6.534 ( 3.993 3.993 -21.153) 21.894 7.046 ( 2.129 2.129 30.774) 30.921 8.387 ( -14.162 -14.162 -0.823) 20.045 9.529 ( 3.287 3.287 21.931) 22.418 9.617 ( -3.673 -3.673 11.503) 12.621 10.666 ( -3.944 -3.944 2.232) 6.007 10.957 ( -0.621 -0.621 -7.446) 7.497 12.802 ( 6.814 6.814 13.932) 16.940 13.204 ( -1.230 -1.230 -14.390) 14.495 14.465 ( 0.388 0.388 -12.712) 12.724 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 3.258 -3.323 10.253) 11.260 3.110 ( 14.499 9.634 5.631) 18.296 3.685 ( 2.538 2.892 19.018) 19.404 4.069 ( -21.655 -16.094 -8.860) 28.399 4.516 ( -0.610 -2.238 -2.120) 3.143 5.170 ( -4.431 5.033 -12.740) 14.396 5.318 ( -0.145 -4.413 -11.005) 11.857 6.168 ( -1.131 4.258 24.482) 24.875 6.609 ( 5.037 3.149 -7.631) 9.670 7.079 ( 1.062 -4.543 27.165) 27.563 8.208 ( -3.988 -3.989 -3.228) 6.499 9.480 ( -9.263 5.868 10.231) 14.997 9.625 ( 3.888 0.489 19.280) 19.674 10.286 ( -20.555 16.751 3.078) 26.694 11.260 ( 18.582 -24.452 -3.159) 30.874 12.694 ( -12.915 -12.894 8.985) 20.341 13.382 ( 15.080 10.520 -9.093) 20.513 14.443 ( -2.838 1.708 -11.765) 12.222 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 9.662 -6.677 4.904) 12.728 3.358 ( 6.401 1.474 -5.014) 8.264 3.663 ( -12.677 -7.823 4.141) 15.461 3.748 ( 0.758 0.899 13.442) 13.493 4.497 ( -0.688 -0.114 -2.370) 2.471 4.960 ( -13.330 0.203 -10.875) 17.204 5.453 ( 9.868 2.935 -10.630) 14.798 6.067 ( -8.567 5.659 4.915) 11.383 6.740 ( 8.034 -0.858 11.526) 14.075 7.079 ( -1.316 -6.127 21.174) 22.082 8.233 ( 6.374 5.080 -4.041) 9.098 9.192 ( -19.735 13.674 -0.512) 24.015 9.710 ( 4.716 1.649 20.089) 20.701 10.005 ( -8.928 8.381 12.551) 17.535 11.588 ( 15.547 -23.017 -0.823) 27.788 12.418 ( -14.835 -16.803 5.162) 23.001 13.682 ( 15.386 7.853 -6.829) 18.575 14.352 ( -6.629 2.533 -10.379) 12.573 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 15.817 -10.502 -1.129) 19.020 3.139 ( -19.147 -13.552 -7.584) 24.653 3.699 ( 7.110 4.280 9.355) 12.505 3.772 ( -0.446 2.643 10.847) 11.173 4.531 ( 5.271 2.166 -4.016) 6.971 4.707 ( -12.145 1.999 -7.332) 14.327 5.657 ( 11.048 3.575 -8.581) 14.438 5.872 ( -11.063 4.763 -4.024) 12.699 6.896 ( 7.695 -3.224 17.263) 19.173 7.020 ( -4.906 -4.889 18.651) 19.896 8.442 ( 14.947 11.533 -4.907) 19.506 8.790 ( -20.527 15.174 -4.799) 25.974 9.800 ( 4.576 2.326 19.572) 20.234 9.887 ( -4.658 3.845 17.780) 18.778 11.869 ( 13.968 -20.788 1.159) 25.071 12.138 ( -14.204 -18.851 3.035) 23.798 13.961 ( 13.323 5.049 -7.426) 16.067 14.189 ( -10.269 3.410 -8.821) 13.960 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -0.026 -0.026 7.996) 7.996 3.301 ( 7.878 7.878 -1.800) 11.286 3.730 ( -16.012 -16.012 -1.533) 22.696 3.739 ( 2.766 2.766 17.460) 17.893 4.501 ( -0.350 -0.350 -1.705) 1.776 5.104 ( -9.469 -9.469 -11.881) 17.902 5.369 ( 7.755 7.755 -10.144) 14.939 6.235 ( 1.324 1.324 34.106) 34.158 6.664 ( 2.739 2.739 -22.908) 23.233 6.996 ( -3.173 -3.173 25.628) 26.018 8.220 ( 5.088 5.088 -3.264) 7.901 9.529 ( -1.209 -1.209 9.745) 9.894 9.662 ( 3.441 3.441 21.427) 21.973 10.469 ( -6.213 -6.213 4.697) 9.963 10.934 ( -0.545 -0.545 -7.140) 7.181 12.395 ( -17.042 -17.042 4.453) 24.509 13.606 ( 12.079 12.079 -3.864) 17.514 14.444 ( -1.794 -1.794 -10.023) 10.339 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 5.622 -4.106 4.416) 8.244 3.205 ( -16.275 -14.789 -9.990) 24.153 3.662 ( 7.055 6.283 8.528) 12.727 3.793 ( 2.683 2.728 14.090) 14.601 4.497 ( 0.405 -0.281 -2.048) 2.106 4.900 ( -11.089 -5.909 -9.571) 15.795 5.543 ( 10.136 6.518 -6.240) 13.570 6.179 ( -7.193 4.990 22.335) 23.990 6.734 ( 4.912 0.103 -10.359) 11.465 6.964 ( -0.889 -5.077 16.785) 17.558 8.394 ( 12.723 11.356 -3.988) 17.513 9.411 ( -11.795 8.817 4.339) 15.352 9.745 ( 4.902 1.803 20.591) 21.244 10.178 ( -15.371 7.969 8.670) 19.364 11.147 ( 15.366 -20.739 -4.501) 26.201 12.063 ( -17.031 -19.373 1.889) 25.864 13.836 ( 11.632 7.878 -2.865) 14.338 14.373 ( -5.532 -0.530 -7.882) 9.644 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 11.598 -8.707 0.070) 14.503 2.876 ( -16.259 -13.183 -4.633) 21.439 3.789 ( 4.653 4.973 7.802) 10.357 3.829 ( 0.396 3.199 9.892) 10.404 4.545 ( 5.158 -0.859 -3.554) 6.322 4.694 ( -9.814 -3.057 -6.532) 12.179 5.756 ( 11.860 6.712 0.059) 13.628 5.988 ( -11.694 6.732 8.811) 16.115 6.842 ( 5.617 -2.477 2.833) 6.761 6.930 ( -3.176 -4.297 9.478) 10.881 8.701 ( 18.746 15.115 -4.786) 24.552 9.087 ( -20.163 15.324 -2.969) 25.499 9.846 ( 5.529 2.103 19.381) 20.264 9.966 ( -7.546 3.948 16.244) 18.341 11.445 ( 15.434 -22.146 -2.432) 27.102 11.746 ( -15.946 -21.130 -0.343) 26.474 14.050 ( 10.540 4.142 -3.814) 11.950 14.236 ( -8.550 1.339 -5.680) 10.352 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 0.795 0.795 2.839) 3.054 2.906 ( -15.047 -15.047 -5.753) 22.043 3.796 ( 6.427 6.427 5.781) 10.772 3.847 ( 2.801 2.801 11.869) 12.513 4.487 ( -0.338 -0.338 -1.879) 1.938 4.759 ( -8.130 -8.130 -7.578) 13.770 5.701 ( 9.688 9.688 2.106) 13.862 6.217 ( -1.956 -1.956 33.472) 33.586 6.744 ( 1.432 1.432 -24.295) 24.379 6.899 ( -2.013 -2.013 9.573) 9.988 8.663 ( 16.468 16.468 -4.804) 23.779 9.512 ( 0.170 0.170 4.217) 4.224 9.781 ( 2.568 2.568 20.976) 21.288 10.205 ( -7.172 -7.172 9.702) 14.036 10.917 ( -0.322 -0.322 -6.857) 6.872 11.693 ( -18.768 -18.768 -0.869) 26.557 13.983 ( 7.386 7.386 -1.351) 10.532 14.332 ( -3.576 -3.576 -5.316) 7.337 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 6.441 -4.664 0.484) 7.967 2.647 ( -11.510 -10.211 -2.363) 15.567 3.882 ( 2.428 4.410 6.334) 8.091 3.893 ( 1.371 3.262 7.915) 8.670 4.508 ( 3.053 -2.416 -2.632) 4.699 4.608 ( -6.999 -5.284 -4.956) 10.073 5.904 ( 11.003 8.209 12.907) 18.842 6.104 ( -8.996 4.518 25.437) 27.357 6.797 ( 3.576 -2.028 -15.381) 15.921 6.860 ( -2.601 -3.001 -2.401) 4.641 9.015 ( 19.463 17.280 -4.836) 26.473 9.365 ( -14.879 12.999 -1.539) 19.817 9.867 ( 6.106 -0.300 19.503) 20.439 10.012 ( -9.388 -0.088 15.364) 18.005 11.066 ( 12.704 -15.563 -5.476) 20.822 11.351 ( -16.485 -19.133 -3.410) 25.484 14.120 ( 6.806 3.125 -1.596) 7.658 14.241 ( -5.688 -0.655 -3.076) 6.500 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 0.489 0.489 0.136) 0.704 2.492 ( -5.726 -5.726 -0.810) 8.139 3.944 ( 1.802 1.802 6.195) 6.699 3.946 ( 1.718 1.718 4.933) 5.499 4.477 ( -0.153 -0.153 -1.918) 1.930 4.514 ( -3.869 -3.869 -2.927) 6.205 6.053 ( 6.628 6.628 27.314) 28.878 6.136 ( -1.494 -1.494 35.040) 35.104 6.779 ( 0.416 0.416 -25.077) 25.084 6.809 ( -2.333 -2.333 -16.962) 17.279 9.345 ( 15.789 15.789 -4.673) 22.813 9.527 ( 0.389 0.389 -4.117) 4.154 9.851 ( 0.949 0.949 20.688) 20.731 9.943 ( -6.250 -6.250 17.188) 19.328 10.909 ( -0.098 -0.098 -6.681) 6.682 11.039 ( -12.474 -12.474 -5.780) 18.564 14.173 ( 2.491 2.491 -0.795) 3.611 14.216 ( -1.867 -1.867 -1.350) 2.966 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( -0.000 -0.000 15.593) 15.593 2.830 ( -0.000 0.000 15.593) 15.593 4.029 ( 0.000 0.000 25.474) 25.474 4.526 ( 0.000 0.000 1.862) 1.862 4.526 ( 0.000 0.000 1.862) 1.862 5.562 ( 0.000 0.000 -19.777) 19.777 5.562 ( 0.000 -0.000 -19.777) 19.777 5.875 ( 0.000 0.000 -19.443) 19.443 6.553 ( 0.000 0.000 36.317) 36.317 7.202 ( 0.000 0.000 23.567) 23.567 9.785 ( -0.000 -0.000 17.636) 17.636 9.785 ( -0.000 -0.000 17.636) 17.636 10.798 ( 0.000 0.000 -1.642) 1.642 10.833 ( 0.000 0.000 -7.540) 7.540 10.833 ( 0.000 0.000 -7.540) 7.540 10.851 ( 0.000 0.000 3.164) 3.164 13.543 ( 0.000 0.000 -1.110) 1.110 14.195 ( 0.000 0.000 -13.455) 13.455 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -2.374 0.000 15.446) 15.627 2.857 ( 2.881 0.000 14.471) 14.755 4.036 ( 0.475 0.000 25.182) 25.186 4.501 ( -2.684 0.000 1.401) 3.028 4.519 ( -0.376 0.000 -0.590) 0.699 5.386 ( -15.289 0.000 -17.166) 22.988 5.500 ( -5.824 0.000 -17.742) 18.674 5.905 ( 1.030 0.000 -19.678) 19.705 6.658 ( 10.092 0.000 34.773) 36.208 7.286 ( 7.909 0.000 22.564) 23.910 9.610 ( -19.930 0.000 14.116) 24.423 9.781 ( -1.213 0.000 16.934) 16.978 10.262 ( -28.467 0.000 -7.251) 29.376 10.312 ( -16.947 0.000 1.726) 17.034 11.308 ( 23.143 0.000 -1.258) 23.177 11.539 ( 36.218 0.000 -3.559) 36.392 13.493 ( -5.159 0.000 -0.581) 5.191 14.184 ( -1.115 0.000 -13.560) 13.606 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -2.620 0.000 14.098) 14.339 2.941 ( 5.838 0.000 11.049) 12.497 4.034 ( -1.006 0.000 23.907) 23.928 4.413 ( -6.923 0.000 -0.246) 6.928 4.532 ( 2.044 0.000 -6.593) 6.903 5.054 ( -17.796 0.000 -12.254) 21.607 5.361 ( -8.097 0.000 -14.124) 16.280 5.885 ( -3.053 0.000 -18.905) 19.150 6.903 ( 14.392 0.000 32.855) 35.869 7.465 ( 9.602 0.000 21.468) 23.517 9.093 ( -29.574 0.000 6.971) 30.385 9.556 ( -25.869 0.000 -2.746) 26.014 9.921 ( -2.565 0.000 9.500) 9.840 10.156 ( -2.666 0.000 8.222) 8.643 11.703 ( 17.817 0.000 1.602) 17.889 12.205 ( 32.405 0.000 -5.969) 32.950 13.351 ( -9.296 0.000 1.043) 9.355 14.151 ( -2.321 0.000 -13.688) 13.883 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 0.660 0.000 10.086) 10.108 3.079 ( 8.173 0.000 5.067) 9.616 4.001 ( -2.039 0.000 20.038) 20.141 4.217 ( -13.451 0.000 -2.499) 13.681 4.584 ( 2.188 0.000 -11.578) 11.783 4.748 ( -13.193 0.000 -5.417) 14.262 5.214 ( -6.200 0.000 -10.590) 12.271 5.796 ( -5.949 0.000 -18.088) 19.042 7.183 ( 14.085 0.000 31.533) 34.535 7.621 ( 6.022 0.000 21.616) 22.439 8.571 ( -23.282 0.000 2.698) 23.438 9.022 ( -26.811 0.000 -9.033) 28.292 9.950 ( 3.370 0.000 14.369) 14.759 10.138 ( 0.040 0.000 10.741) 10.741 12.000 ( 13.303 0.000 3.233) 13.690 12.771 ( 25.762 0.000 -11.148) 28.070 13.150 ( -10.841 0.000 5.527) 12.168 14.092 ( -3.945 0.000 -13.413) 13.981 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 6.654 0.000 3.218) 7.391 3.228 ( 5.761 0.000 -4.640) 7.397 3.939 ( -13.018 0.000 1.413) 13.094 3.965 ( -1.695 0.000 14.487) 14.586 4.546 ( -8.153 0.000 -0.473) 8.167 4.560 ( -5.187 0.000 -9.740) 11.035 5.177 ( 3.154 0.000 -11.244) 11.678 5.661 ( -8.029 0.000 -17.628) 19.370 7.422 ( 10.166 0.000 29.555) 31.255 7.682 ( 0.227 0.000 21.795) 21.796 8.232 ( -11.193 0.000 -0.611) 11.210 8.570 ( -19.479 0.000 -7.841) 20.998 10.024 ( 4.020 0.000 14.597) 15.140 10.142 ( 0.089 0.000 12.175) 12.175 12.229 ( 10.879 0.000 3.467) 11.418 12.885 ( -11.701 0.000 -3.701) 12.272 13.255 ( 19.814 0.000 -2.663) 19.993 13.994 ( -6.472 0.000 -12.407) 13.993 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 11.911 0.000 -5.153) 12.978 3.205 ( -8.978 0.000 -11.896) 14.904 3.830 ( 2.390 0.000 8.496) 8.826 3.917 ( -3.992 0.000 9.371) 10.186 4.431 ( -3.394 0.000 1.092) 3.565 4.441 ( -4.689 0.000 -2.376) 5.257 5.307 ( 9.041 0.000 -15.071) 17.575 5.490 ( -9.505 0.000 -17.026) 19.499 7.565 ( 5.058 0.000 24.800) 25.311 7.644 ( -3.476 0.000 21.474) 21.753 8.149 ( 2.109 0.000 -1.406) 2.535 8.280 ( -10.883 0.000 -3.420) 11.408 10.094 ( 2.953 0.000 14.162) 14.466 10.133 ( -1.166 0.000 13.319) 13.370 12.434 ( 10.786 0.000 2.592) 11.093 12.652 ( -11.869 0.000 0.878) 11.902 13.594 ( 15.012 0.000 -8.076) 17.046 13.835 ( -10.194 0.000 -10.633) 14.730 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -2.472 -2.472 14.385) 14.804 2.882 ( 2.710 2.710 14.230) 14.737 4.047 ( 0.893 0.893 24.857) 24.889 4.462 ( -3.395 -3.395 -4.066) 6.291 4.523 ( -0.168 -0.168 1.919) 1.934 5.270 ( -11.319 -11.319 -13.508) 20.946 5.423 ( -5.908 -5.908 -18.083) 19.920 5.966 ( 3.487 3.487 -20.871) 21.445 6.696 ( 4.735 4.735 34.549) 35.192 7.366 ( 7.387 7.387 22.809) 25.088 9.295 ( -26.362 -26.362 6.255) 37.803 9.821 ( 1.820 1.820 17.391) 17.580 9.994 ( -8.423 -8.423 4.088) 12.594 10.797 ( -1.197 -1.197 1.171) 2.059 10.827 ( -0.301 -0.301 -7.387) 7.399 12.014 ( 28.168 28.168 -1.877) 39.879 13.431 ( -6.178 -6.178 -0.056) 8.737 14.184 ( -0.102 -0.102 -13.584) 13.585 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -2.871 -2.862 12.837) 13.462 2.965 ( 5.857 2.641 10.902) 12.654 4.055 ( -0.490 1.936 23.513) 23.598 4.359 ( -8.015 -5.969 -7.091) 12.254 4.522 ( 0.452 -0.720 -1.420) 1.655 5.023 ( -12.539 -2.452 -9.379) 15.849 5.296 ( -7.017 -5.930 -15.124) 17.695 5.974 ( -2.824 7.569 -20.104) 21.667 6.857 ( 11.461 -3.543 31.859) 34.043 7.526 ( 8.187 5.161 23.282) 25.213 8.766 ( -26.198 -23.261 1.276) 35.057 9.739 ( -16.207 8.816 5.688) 19.306 9.902 ( 1.011 -1.188 12.656) 12.752 10.344 ( -15.852 18.244 1.776) 24.234 11.316 ( 23.603 -28.415 -1.936) 36.990 12.529 ( 25.060 22.331 -3.338) 33.732 13.267 ( -10.427 -8.185 1.858) 13.386 14.174 ( -1.137 1.949 -13.498) 13.685 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 0.104 -3.619 9.298) 9.978 3.103 ( 8.135 2.667 4.389) 9.621 4.019 ( -3.912 0.872 15.215) 15.734 4.150 ( -12.097 -6.285 -0.032) 13.632 4.528 ( -0.783 -3.013 -3.965) 5.041 4.827 ( -7.949 5.766 -9.138) 13.414 5.178 ( -4.165 -3.617 -11.179) 12.466 5.874 ( -7.126 7.594 -18.435) 21.173 7.099 ( 12.719 -7.429 28.805) 32.352 7.647 ( 3.781 0.759 23.524) 23.838 8.344 ( -16.497 -14.030 -1.016) 21.680 9.286 ( -26.838 18.235 -4.123) 32.708 9.955 ( 3.710 0.735 14.896) 15.368 10.193 ( -2.732 5.852 9.058) 11.125 11.714 ( 17.793 -24.229 -0.228) 30.062 12.937 ( 8.676 5.875 -14.765) 18.105 13.082 ( 0.025 -0.159 12.320) 12.321 14.135 ( -3.089 3.751 -12.911) 13.795 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 5.677 -4.984 3.317) 8.251 3.234 ( 3.105 0.044 -6.342) 7.061 3.853 ( -8.682 -5.648 2.580) 10.673 4.022 ( -2.815 3.463 16.330) 16.929 4.480 ( -3.519 -1.891 -1.209) 4.174 4.672 ( -8.990 5.903 -9.022) 14.038 5.181 ( 4.725 0.511 -11.750) 12.674 5.712 ( -9.370 5.533 -17.556) 20.655 7.316 ( 9.340 -8.933 25.651) 28.722 7.659 ( -2.356 -4.946 21.767) 22.446 8.159 ( -2.747 -1.176 -0.343) 3.008 8.797 ( -22.726 17.504 -5.271) 29.166 10.033 ( 4.119 0.955 14.713) 15.309 10.168 ( -0.658 2.675 11.702) 12.022 12.013 ( 13.735 -19.785 0.805) 24.098 12.758 ( -13.295 -12.390 -2.129) 18.298 13.383 ( 17.475 11.033 -2.155) 20.778 14.050 ( -5.879 4.988 -11.532) 13.872 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 11.175 -6.625 -4.059) 13.610 3.142 ( -11.195 -6.394 -10.768) 16.798 3.839 ( 5.848 1.693 8.713) 10.629 3.959 ( -4.769 3.432 11.175) 12.625 4.433 ( -0.163 1.420 -0.119) 1.435 4.503 ( -7.217 4.290 -3.572) 9.124 5.327 ( 9.456 2.253 -15.011) 17.883 5.521 ( -10.290 3.473 -16.780) 19.988 7.463 ( 6.485 -8.271 21.609) 24.029 7.579 ( -5.451 -6.848 20.330) 22.134 8.213 ( 7.573 7.257 0.319) 10.494 8.432 ( -15.105 12.840 -2.429) 19.973 10.105 ( 3.149 1.180 14.125) 14.520 10.150 ( -1.516 1.673 13.160) 13.352 12.261 ( 12.430 -16.492 0.830) 20.668 12.504 ( -12.932 -14.295 0.004) 19.277 13.682 ( 13.525 7.874 -6.393) 16.905 13.903 ( -9.448 6.095 -9.340) 14.617 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -3.762 -3.762 10.734) 11.980 3.048 ( 5.957 5.957 7.923) 11.564 4.091 ( 1.281 1.281 23.408) 23.478 4.178 ( -12.206 -12.206 -11.546) 20.767 4.511 ( -0.492 -0.492 1.699) 1.835 4.989 ( -0.876 -0.876 -7.145) 7.251 5.161 ( -7.373 -7.373 -15.058) 18.316 6.095 ( 2.977 2.977 -22.845) 23.230 6.828 ( 2.017 2.017 31.171) 31.301 7.609 ( 2.083 2.083 24.351) 24.529 8.367 ( -16.082 -16.082 -0.708) 22.755 9.784 ( -4.361 -4.361 5.172) 8.049 9.916 ( 2.974 2.974 16.796) 17.315 10.720 ( -2.862 -2.862 2.981) 5.027 10.813 ( -0.412 -0.412 -6.977) 7.001 12.912 ( 11.971 11.971 -10.339) 19.837 13.084 ( -5.322 -5.322 10.406) 12.842 14.208 ( 1.141 1.141 -12.963) 13.063 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -1.276 -5.231 7.621) 9.332 3.175 ( 5.946 3.963 0.512) 7.164 3.915 ( -12.821 -10.321 -4.556) 17.077 4.107 ( -0.228 1.692 21.777) 21.844 4.497 ( -1.165 -0.626 0.482) 1.408 4.927 ( -7.616 3.421 -11.380) 14.114 5.093 ( 2.550 -3.632 -10.897) 11.766 6.055 ( -6.638 9.935 -20.898) 24.072 6.945 ( 9.116 -7.466 26.812) 29.287 7.580 ( -4.288 -7.716 19.589) 21.486 8.192 ( -2.471 -1.248 2.918) 4.022 9.569 ( -18.322 9.660 0.265) 20.715 9.984 ( 3.856 2.260 15.856) 16.474 10.374 ( -12.240 12.884 4.745) 18.394 11.197 ( 20.393 -27.512 -2.937) 34.372 12.748 ( -15.084 -15.881 -3.325) 22.154 13.319 ( 16.243 15.094 3.079) 22.387 14.207 ( -1.395 3.161 -11.808) 12.303 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 3.780 -7.153 2.954) 8.613 3.187 ( -6.659 -6.018 -9.814) 13.299 3.782 ( 1.174 -0.285 6.789) 6.895 4.089 ( -1.730 3.266 19.298) 19.649 4.468 ( -1.446 0.133 -0.389) 1.503 4.748 ( -9.866 1.384 -9.679) 13.890 5.210 ( 8.521 3.121 -12.635) 15.556 5.873 ( -11.456 10.750 -18.192) 24.037 7.130 ( 9.246 -9.816 22.312) 26.070 7.497 ( -3.811 -10.050 16.583) 19.762 8.228 ( 5.433 6.773 4.458) 9.760 9.140 ( -23.867 16.935 -3.828) 29.514 10.062 ( 4.178 2.055 14.994) 15.700 10.244 ( -3.292 5.252 10.310) 12.030 11.555 ( 16.939 -26.173 -2.190) 31.253 12.448 ( -15.745 -18.921 -1.661) 24.671 13.609 ( 13.741 11.476 -0.603) 17.913 14.150 ( -4.597 4.718 -9.825) 11.829 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 9.493 -9.278 -2.663) 13.538 2.974 ( -12.875 -10.531 -8.184) 18.537 3.901 ( 8.148 4.402 10.084) 13.692 4.030 ( -4.757 3.840 14.341) 15.590 4.469 ( 2.351 1.661 -1.705) 3.346 4.571 ( -7.920 2.088 -5.535) 9.886 5.404 ( 11.360 6.080 -14.943) 19.731 5.637 ( -12.568 8.725 -16.570) 22.553 7.292 ( 7.599 -9.133 19.488) 22.824 7.417 ( -5.134 -9.231 17.952) 20.829 8.400 ( 12.589 11.403 1.011) 17.016 8.712 ( -19.676 15.546 -2.774) 25.229 10.139 ( 3.550 2.244 14.094) 14.706 10.196 ( -2.445 3.016 12.773) 13.350 11.861 ( 15.109 -23.818 -1.639) 28.254 12.150 ( -15.156 -21.399 -1.403) 26.261 13.847 ( 10.975 8.393 -3.940) 14.367 14.029 ( -7.904 6.256 -7.115) 12.338 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -3.302 -3.302 5.041) 6.871 3.190 ( -4.451 -4.451 -7.845) 10.058 3.772 ( -1.895 -1.895 4.768) 5.470 4.138 ( 1.050 1.050 21.732) 21.783 4.486 ( -0.727 -0.727 0.684) 1.235 4.875 ( -7.249 -7.249 -10.880) 14.949 5.139 ( 7.391 7.391 -11.576) 15.597 6.188 ( 1.843 1.843 -24.772) 24.909 6.858 ( -0.186 -0.186 27.487) 27.489 7.420 ( -7.227 -7.227 14.845) 18.023 8.244 ( 5.368 5.368 6.434) 9.951 9.634 ( -3.482 -3.482 1.241) 5.078 10.037 ( 3.128 3.128 16.096) 16.693 10.582 ( -4.141 -4.141 6.033) 8.408 10.798 ( -0.304 -0.304 -6.417) 6.431 12.413 ( -18.349 -18.349 -1.926) 26.021 13.588 ( 12.706 12.706 1.823) 18.062 14.242 ( 0.299 0.299 -10.114) 10.123 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 1.374 -5.877 1.421) 6.200 3.005 ( -12.799 -11.931 -9.468) 19.895 3.846 ( 7.484 5.923 9.677) 13.591 4.142 ( -0.719 2.177 20.251) 20.380 4.470 ( -0.664 -0.190 -0.441) 0.820 4.720 ( -8.242 -3.915 -8.271) 12.315 5.323 ( 11.378 8.777 -13.469) 19.695 6.097 ( -10.208 11.328 -21.228) 26.137 6.946 ( 7.886 -9.066 22.659) 25.648 7.318 ( -3.909 -7.968 14.899) 17.342 8.388 ( 9.971 9.830 3.796) 14.508 9.417 ( -18.196 10.961 -2.595) 21.400 10.105 ( 3.964 2.162 15.347) 15.998 10.365 ( -8.351 6.686 8.704) 13.791 11.060 ( 16.850 -23.441 -4.037) 29.150 12.057 ( -18.400 -21.148 -2.045) 28.107 13.810 ( 10.399 9.315 0.194) 13.962 14.216 ( -3.016 1.958 -7.773) 8.564 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 7.113 -8.713 -2.614) 11.548 2.759 ( -11.803 -11.262 -6.381) 17.518 3.996 ( 7.180 5.275 12.464) 15.321 4.102 ( -3.667 3.514 16.873) 17.621 4.483 ( 2.551 -0.309 -2.391) 3.510 4.573 ( -6.571 -1.675 -5.316) 8.616 5.570 ( 14.050 11.189 -15.204) 23.532 5.849 ( -14.406 12.839 -17.323) 25.932 7.108 ( 8.069 -10.208 18.789) 22.854 7.237 ( -5.197 -9.284 16.799) 19.885 8.642 ( 16.570 13.816 -0.857) 21.591 9.015 ( -21.433 15.636 -3.648) 26.780 10.184 ( 4.071 2.250 14.253) 14.992 10.260 ( -3.955 3.355 12.467) 13.503 11.384 ( 16.759 -24.695 -3.487) 30.048 11.711 ( -17.420 -23.447 -2.734) 29.338 13.990 ( 8.327 6.326 -2.210) 10.688 14.128 ( -5.962 3.881 -5.012) 8.703 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -1.799 -1.799 -1.114) 2.778 2.765 ( -12.194 -12.194 -7.604) 18.847 3.976 ( 6.941 6.941 11.754) 15.314 4.170 ( 0.662 0.662 19.775) 19.797 4.460 ( -0.604 -0.604 -0.663) 1.082 4.622 ( -5.607 -5.607 -5.968) 9.925 5.540 ( 13.389 13.389 -14.515) 23.858 6.238 ( 0.797 0.797 -26.346) 26.370 6.822 ( -1.664 -1.664 26.483) 26.587 7.186 ( -6.265 -6.265 15.428) 17.791 8.615 ( 14.050 14.050 0.204) 19.871 9.511 ( -2.888 -2.888 -3.069) 5.108 10.145 ( 2.313 2.313 15.436) 15.778 10.420 ( -4.022 -4.022 10.528) 11.966 10.790 ( -0.113 -0.113 -5.823) 5.825 11.650 ( -20.688 -20.688 -2.989) 29.410 13.968 ( 7.231 7.231 -0.072) 10.227 14.224 ( -1.079 -1.079 -5.473) 5.682 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 969 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 3.778 -5.552 -3.796) 7.714 2.557 ( -8.993 -9.271 -5.898) 14.199 4.095 ( 5.046 4.715 14.773) 16.308 4.161 ( -1.817 2.484 17.971) 18.232 4.463 ( 1.412 -1.416 -1.783) 2.679 4.521 ( -4.487 -3.258 -3.677) 6.654 5.822 ( 15.381 14.434 -16.243) 26.622 6.103 ( -12.694 12.497 -20.610) 27.241 6.901 ( 7.773 -10.797 20.714) 24.619 7.056 ( -7.581 -9.737 16.829) 20.868 8.932 ( 18.552 16.147 -3.165) 24.798 9.295 ( -17.460 12.451 -4.471) 21.906 10.212 ( 4.518 0.234 14.730) 15.409 10.306 ( -5.413 0.756 13.002) 14.104 10.961 ( 13.867 -17.372 -4.993) 22.781 11.273 ( -18.203 -21.309 -4.195) 28.338 14.090 ( 5.467 4.156 -1.283) 6.986 14.178 ( -3.563 1.325 -3.194) 4.965 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 534 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -0.482 -0.482 -5.187) 5.231 2.416 ( -5.025 -5.025 -5.850) 9.204 4.169 ( 2.701 2.701 16.624) 17.057 4.191 ( 0.383 0.383 17.800) 17.809 4.443 ( -0.225 -0.225 -1.402) 1.437 4.464 ( -2.319 -2.319 -2.083) 3.886 6.099 ( 13.330 13.330 -20.006) 27.489 6.255 ( 0.184 0.184 -27.246) 27.247 6.756 ( -1.211 -1.211 26.762) 26.816 6.865 ( -9.557 -9.557 19.792) 23.967 9.243 ( 14.965 14.965 -4.911) 21.726 9.424 ( -1.328 -1.328 -5.537) 5.847 10.207 ( 0.842 0.842 14.983) 15.030 10.269 ( -4.116 -4.116 14.414) 15.545 10.789 ( -0.010 -0.010 -5.395) 5.395 10.927 ( -13.526 -13.526 -5.343) 19.861 14.153 ( 2.385 2.385 -1.168) 3.570 14.183 ( -0.717 -0.717 -1.845) 2.105 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -0.000 -0.000 8.503) 8.503 3.073 ( 0.000 0.000 8.503) 8.503 4.531 ( -0.000 -0.000 24.799) 24.799 4.607 ( 0.000 0.000 6.308) 6.308 4.607 ( 0.000 0.000 6.308) 6.308 5.195 ( -0.000 -0.000 -16.490) 16.490 5.195 ( 0.000 0.000 -16.490) 16.490 5.464 ( 0.000 0.000 -21.714) 21.714 7.166 ( -0.000 -0.000 24.656) 24.656 7.524 ( -0.000 -0.000 8.099) 8.099 10.078 ( 0.000 0.000 11.496) 11.496 10.078 ( 0.000 0.000 11.496) 11.496 10.691 ( 0.000 0.000 -6.423) 6.423 10.691 ( 0.000 0.000 -6.423) 6.423 10.784 ( 0.000 0.000 0.618) 0.618 10.868 ( 0.000 0.000 -1.248) 1.248 13.574 ( 0.000 0.000 4.356) 4.356 13.934 ( 0.000 0.000 -12.418) 12.418 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -2.163 0.000 8.984) 9.241 3.081 ( 0.774 0.000 7.618) 7.657 4.518 ( -1.456 0.000 17.066) 17.128 4.563 ( -4.169 0.000 10.990) 11.754 4.567 ( -4.446 0.000 4.920) 6.631 5.068 ( -10.752 0.000 -13.790) 17.487 5.165 ( -2.813 0.000 -14.926) 15.188 5.491 ( 1.135 0.000 -21.760) 21.790 7.253 ( 8.627 0.000 24.157) 25.651 7.601 ( 7.424 0.000 8.151) 11.025 9.840 ( -27.984 0.000 9.133) 29.437 10.045 ( -16.720 0.000 7.112) 18.170 10.142 ( -16.243 0.000 -2.233) 16.396 10.315 ( -8.488 0.000 -1.537) 8.626 11.303 ( 26.546 0.000 1.043) 26.566 11.452 ( 33.324 0.000 -5.039) 33.703 13.538 ( -3.675 0.000 5.146) 6.323 13.920 ( -1.428 0.000 -12.686) 12.766 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -3.944 0.000 9.617) 10.394 3.101 ( 1.215 0.000 4.675) 4.830 4.424 ( -10.547 0.000 0.678) 10.569 4.426 ( -7.517 0.000 -0.444) 7.531 4.518 ( -0.423 0.000 20.824) 20.828 4.856 ( -10.012 0.000 -6.257) 11.806 5.097 ( -4.111 0.000 -11.344) 12.066 5.480 ( -2.270 0.000 -21.328) 21.449 7.470 ( 13.011 0.000 23.099) 26.512 7.779 ( 10.182 0.000 8.877) 13.509 9.209 ( -33.366 0.000 5.035) 33.744 9.434 ( -33.098 0.000 -7.063) 33.843 10.132 ( 2.203 0.000 9.310) 9.567 10.268 ( 0.285 0.000 2.762) 2.777 11.755 ( 20.259 0.000 4.056) 20.661 12.046 ( 27.735 0.000 -9.148) 29.204 13.442 ( -5.866 0.000 7.603) 9.603 13.882 ( -2.443 0.000 -13.177) 13.402 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -3.822 0.000 8.387) 9.217 3.120 ( 0.368 0.000 -0.869) 0.944 4.187 ( -12.646 0.000 -0.537) 12.657 4.273 ( -7.881 0.000 -0.223) 7.884 4.524 ( 0.805 0.000 12.682) 12.708 4.697 ( -6.733 0.000 0.689) 6.768 5.015 ( -4.007 0.000 -8.479) 9.378 5.408 ( -5.126 0.000 -20.429) 21.062 7.725 ( 12.808 0.000 21.976) 25.436 7.958 ( 7.546 0.000 11.010) 13.348 8.622 ( -26.673 0.000 2.603) 26.800 8.841 ( -27.503 0.000 -8.787) 28.873 10.187 ( 3.352 0.000 9.061) 9.661 10.288 ( 1.495 0.000 4.191) 4.450 12.083 ( 13.992 0.000 5.690) 15.104 12.491 ( 17.412 0.000 -14.298) 22.530 13.340 ( -3.591 0.000 11.289) 11.846 13.828 ( -3.130 0.000 -13.010) 13.382 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -0.716 0.000 3.952) 4.016 3.096 ( -3.225 0.000 -7.424) 8.094 3.992 ( -6.455 0.000 3.233) 7.219 4.134 ( -6.494 0.000 -0.300) 6.501 4.533 ( -0.309 0.000 9.510) 9.515 4.588 ( -4.707 0.000 4.614) 6.591 4.966 ( -0.344 0.000 -9.483) 9.490 5.288 ( -7.089 0.000 -19.255) 20.519 7.927 ( 6.339 0.000 20.721) 21.669 8.029 ( -1.428 0.000 12.502) 12.584 8.224 ( -12.611 0.000 -0.500) 12.621 8.425 ( -14.134 0.000 -7.240) 15.881 10.254 ( 3.462 0.000 8.366) 9.054 10.317 ( 1.333 0.000 5.345) 5.509 12.306 ( 9.556 0.000 4.928) 10.752 12.672 ( 1.352 0.000 -12.970) 13.040 13.357 ( 5.777 0.000 8.779) 10.510 13.759 ( -4.242 0.000 -11.170) 11.948 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 3.876 0.000 -2.711) 4.730 2.999 ( -6.149 0.000 -8.243) 10.284 3.951 ( 1.652 0.000 3.873) 4.211 4.023 ( -5.052 0.000 1.034) 5.157 4.514 ( -0.945 0.000 9.640) 9.687 4.521 ( -1.971 0.000 7.799) 8.045 5.015 ( 5.199 0.000 -13.840) 14.784 5.144 ( -7.555 0.000 -17.322) 18.898 7.911 ( -3.009 0.000 8.633) 9.142 7.933 ( -5.135 0.000 6.911) 8.610 8.196 ( 4.647 0.000 6.529) 8.014 8.280 ( -4.061 0.000 3.020) 5.061 10.310 ( 2.118 0.000 7.502) 7.795 10.331 ( -0.066 0.000 6.486) 6.486 12.469 ( 7.695 0.000 1.536) 7.847 12.606 ( -6.309 0.000 -4.451) 7.721 13.511 ( 8.629 0.000 -0.593) 8.649 13.658 ( -6.396 0.000 -7.160) 9.601 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -3.377 -3.377 8.017) 9.332 3.109 ( 1.571 1.571 8.110) 8.409 4.413 ( -9.481 -9.481 -0.909) 13.439 4.512 ( -0.766 -0.766 18.375) 18.407 4.630 ( 0.910 0.910 11.988) 12.057 5.026 ( -6.095 -6.095 -9.875) 13.108 5.083 ( -4.698 -4.698 -15.377) 16.751 5.535 ( 2.660 2.660 -22.275) 22.591 7.273 ( 3.024 3.024 22.462) 22.866 7.697 ( 8.703 8.703 9.855) 15.767 9.365 ( -31.897 -31.897 1.444) 45.132 10.064 ( -5.602 -5.602 2.712) 8.374 10.110 ( 1.601 1.601 11.326) 11.550 10.688 ( -0.151 -0.151 -6.308) 6.311 10.818 ( -0.449 -0.449 0.807) 1.027 11.964 ( 27.622 27.622 -2.618) 39.150 13.489 ( -4.776 -4.776 5.601) 8.774 13.921 ( -0.046 -0.046 -12.500) 12.501 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -4.260 -4.958 7.675) 10.081 3.133 ( 0.940 2.154 5.794) 6.252 4.211 ( -10.964 -11.344 -4.888) 16.517 4.500 ( -0.279 -0.869 12.920) 12.952 4.595 ( -4.640 6.142 13.598) 15.626 4.859 ( -8.942 0.345 -6.224) 10.900 5.022 ( -2.808 -6.573 -11.395) 13.451 5.547 ( -1.786 5.358 -22.295) 22.999 7.390 ( 8.904 -5.304 20.389) 22.872 7.883 ( 9.402 7.641 11.781) 16.899 8.772 ( -28.301 -26.017 -0.315) 38.443 9.769 ( -26.274 13.893 -0.440) 29.725 10.147 ( 2.264 1.818 10.370) 10.768 10.369 ( -7.791 11.932 0.038) 14.251 11.285 ( 24.908 -30.590 -1.089) 39.464 12.431 ( 20.104 21.775 -5.034) 30.061 13.376 ( -6.014 -5.677 7.870) 11.416 13.913 ( -0.838 2.621 -12.249) 12.555 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -3.690 -5.570 6.482) 9.309 3.140 ( -0.646 1.334 -0.309) 1.514 4.012 ( -8.879 -9.569 -3.015) 13.398 4.457 ( -8.601 10.415 5.783) 14.693 4.505 ( 0.292 -1.554 12.046) 12.149 4.714 ( -6.195 1.441 -0.378) 6.372 4.972 ( -2.101 -3.846 -8.840) 9.867 5.471 ( -5.755 5.944 -21.172) 22.731 7.586 ( 10.301 -10.345 18.862) 23.852 8.010 ( 1.767 -2.356 11.371) 11.747 8.334 ( -14.661 -10.482 0.631) 18.034 9.199 ( -29.629 21.422 -3.967) 36.777 10.200 ( 3.162 1.485 9.402) 10.030 10.321 ( 0.242 3.516 3.454) 4.935 11.709 ( 18.984 -27.948 -0.161) 33.786 12.690 ( 5.310 8.076 -9.310) 13.420 13.315 ( 1.521 0.546 10.888) 11.008 13.887 ( -1.934 4.984 -11.595) 12.768 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -0.513 -5.561 2.982) 6.331 3.088 ( -5.086 -1.461 -7.002) 8.777 3.908 ( -1.242 -3.926 2.229) 4.682 4.282 ( -9.131 10.579 4.550) 14.697 4.509 ( -0.221 -1.725 7.837) 8.027 4.611 ( -4.652 1.473 4.007) 6.314 4.961 ( 1.503 -0.220 -9.968) 10.083 5.336 ( -7.973 4.863 -19.452) 21.578 7.730 ( 3.222 -12.846 15.142) 20.117 7.939 ( -4.200 -13.185 5.141) 14.762 8.245 ( 1.037 8.284 9.318) 12.511 8.701 ( -20.741 18.807 -4.577) 28.370 10.265 ( 3.377 1.141 8.417) 9.140 10.337 ( 0.975 2.005 5.156) 5.617 12.022 ( 13.847 -23.597 0.269) 27.361 12.646 ( -7.599 -7.373 -6.596) 12.474 13.437 ( 9.229 8.697 5.779) 13.936 13.836 ( -3.449 6.655 -9.673) 12.237 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 4.222 -5.276 -2.321) 7.145 2.959 ( -7.279 -4.229 -7.095) 11.009 3.962 ( 6.115 2.598 3.540) 7.528 4.110 ( -8.645 7.504 3.066) 11.851 4.505 ( 0.388 -0.452 7.986) 8.008 4.536 ( -2.891 0.796 7.051) 7.663 5.036 ( 6.015 2.206 -13.767) 15.185 5.177 ( -8.201 3.512 -17.125) 19.310 7.764 ( 2.999 -9.470 8.129) 12.836 7.861 ( -5.687 -8.198 8.195) 12.912 8.298 ( 4.610 8.770 7.176) 12.233 8.423 ( -9.008 11.625 0.857) 14.731 10.321 ( 2.241 1.137 7.466) 7.877 10.345 ( -0.310 1.462 6.436) 6.608 12.259 ( 11.210 -18.947 -0.589) 22.023 12.465 ( -10.358 -14.256 -2.861) 17.852 13.613 ( 8.358 9.091 -0.888) 12.381 13.749 ( -5.722 7.923 -6.070) 11.505 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -5.748 -5.748 6.173) 10.207 3.163 ( 0.666 0.666 3.493) 3.618 4.006 ( -9.524 -9.524 -5.489) 14.544 4.482 ( -0.726 -0.726 10.960) 11.008 4.661 ( 0.521 0.521 17.757) 17.772 4.869 ( -1.327 -1.327 -4.574) 4.944 4.882 ( -5.469 -5.469 -12.296) 14.526 5.628 ( 1.983 1.983 -23.869) 24.033 7.335 ( 0.325 0.325 18.935) 18.941 7.961 ( -3.047 -3.047 9.933) 10.827 8.379 ( -10.996 -10.996 2.304) 15.720 9.836 ( -6.186 -6.186 0.722) 8.777 10.194 ( 2.652 2.652 10.935) 11.560 10.681 ( -0.163 -0.163 -6.022) 6.027 10.774 ( -1.826 -1.826 2.207) 3.397 12.722 ( 5.699 5.699 -7.245) 10.837 13.305 ( 1.188 1.188 10.322) 10.458 13.961 ( 2.000 2.000 -11.257) 11.607 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -4.488 -7.259 4.502) 9.649 3.142 ( -3.558 -1.915 -2.800) 4.916 3.873 ( -3.340 -4.184 -0.155) 5.356 4.475 ( -0.057 -1.313 7.861) 7.970 4.617 ( -4.972 5.517 16.696) 18.273 4.734 ( -6.762 -0.236 -6.112) 9.118 4.904 ( 2.471 -1.769 -7.528) 8.118 5.602 ( -4.629 6.617 -23.646) 24.986 7.400 ( 5.505 -8.071 17.621) 20.148 7.787 ( -9.667 -14.322 2.320) 17.434 8.345 ( 2.720 5.409 10.150) 11.818 9.536 ( -23.325 11.995 -2.621) 26.359 10.245 ( 2.667 2.983 10.225) 10.980 10.438 ( -6.206 9.292 1.111) 11.229 11.149 ( 20.535 -28.523 -1.712) 35.188 12.642 ( -10.890 -11.189 -5.286) 16.484 13.443 ( 10.623 11.116 7.660) 17.178 13.984 ( 0.264 4.523 -10.157) 11.121 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -0.793 -8.310 1.756) 8.531 3.016 ( -8.930 -6.355 -6.651) 12.821 3.899 ( 5.800 3.368 4.390) 8.016 4.477 ( -6.136 6.148 16.197) 18.379 4.478 ( -2.663 1.327 0.578) 3.031 4.621 ( -5.060 -0.721 1.055) 5.219 4.977 ( 5.233 2.419 -10.088) 11.619 5.466 ( -8.928 8.155 -21.456) 24.629 7.500 ( 4.313 -10.457 13.486) 17.602 7.692 ( -0.402 -11.657 4.293) 12.429 8.399 ( 2.673 7.108 10.402) 12.879 9.057 ( -23.901 17.436 -4.147) 29.874 10.300 ( 3.037 2.492 8.774) 9.614 10.393 ( -0.359 3.873 4.394) 5.868 11.512 ( 17.190 -27.903 -1.825) 32.824 12.388 ( -14.454 -17.775 -3.270) 23.142 13.644 ( 9.528 11.236 3.525) 15.148 13.969 ( -1.858 6.437 -8.055) 10.478 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 4.475 -8.793 -1.813) 10.032 2.836 ( -8.820 -8.455 -5.202) 13.279 4.065 ( 10.588 7.887 5.612) 14.346 4.279 ( -11.105 9.479 7.190) 16.275 4.493 ( 1.476 -0.933 5.591) 5.857 4.539 ( -3.372 -0.650 4.379) 5.565 5.106 ( 8.101 5.262 -13.978) 16.991 5.281 ( -9.743 7.223 -18.026) 21.727 7.592 ( 5.592 -8.231 9.614) 13.836 7.683 ( -2.588 -9.689 8.826) 13.359 8.474 ( 6.256 9.269 5.469) 12.448 8.675 ( -15.116 13.985 -1.323) 20.636 10.355 ( 2.403 2.346 7.512) 8.228 10.386 ( -0.829 2.713 6.254) 6.868 11.820 ( 15.100 -25.335 -1.957) 29.559 12.105 ( -14.732 -21.922 -2.372) 26.518 13.802 ( 6.908 9.593 -0.676) 11.841 13.910 ( -4.291 7.989 -4.749) 10.237 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -6.105 -6.105 2.674) 9.038 3.044 ( -8.259 -8.259 -5.898) 13.084 3.876 ( 4.594 4.594 4.726) 8.034 4.457 ( -0.599 -0.599 5.108) 5.178 4.660 ( -1.317 -1.317 18.764) 18.856 4.683 ( -3.877 -3.877 -5.222) 7.572 4.940 ( 4.811 4.811 -7.781) 10.336 5.684 ( 0.925 0.925 -25.680) 25.714 7.303 ( -1.612 -1.612 16.695) 16.850 7.574 ( -7.059 -7.059 1.932) 10.168 8.443 ( 4.338 4.338 10.830) 12.447 9.609 ( -5.417 -5.417 -2.693) 8.120 10.302 ( 2.789 2.789 10.505) 11.221 10.678 ( 0.001 0.001 -5.662) 5.662 10.685 ( -2.603 -2.603 3.911) 5.371 12.354 ( -17.304 -17.304 -3.051) 24.662 13.662 ( 10.609 10.609 5.032) 15.825 14.051 ( 2.316 2.316 -8.742) 9.335 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -2.114 -7.982 0.340) 8.264 2.848 ( -11.147 -10.593 -5.823) 16.444 4.028 ( 10.408 9.437 7.892) 16.114 4.452 ( 0.176 -1.156 3.046) 3.263 4.580 ( -4.959 -2.702 -5.200) 7.677 4.610 ( -5.201 4.028 21.636) 22.614 5.064 ( 7.897 6.562 -11.327) 15.288 5.623 ( -6.901 7.231 -24.920) 26.849 7.334 ( 4.288 -6.859 14.715) 16.792 7.510 ( -0.458 -6.821 4.649) 8.267 8.523 ( 4.702 6.186 8.002) 11.154 9.342 ( -19.835 11.171 -4.102) 23.131 10.353 ( 2.663 2.709 9.511) 10.242 10.488 ( -3.996 6.013 3.176) 7.887 10.995 ( 16.747 -24.361 -2.327) 29.653 12.006 ( -18.469 -21.249 -2.473) 28.262 13.839 ( 7.795 8.826 2.624) 12.064 14.071 ( -0.251 3.995 -6.560) 7.685 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 3.724 -9.640 -2.189) 10.564 2.647 ( -9.017 -10.668 -4.329) 14.624 4.246 ( 11.531 10.231 10.612) 18.715 4.448 ( -7.755 6.018 5.561) 11.281 4.471 ( 0.075 -0.327 6.950) 6.958 4.515 ( -3.472 -1.139 6.613) 7.555 5.240 ( 10.224 8.550 -16.371) 21.110 5.446 ( -10.657 9.500 -21.444) 25.761 7.435 ( 5.278 -8.500 12.403) 15.936 7.504 ( -1.463 -8.491 9.022) 12.475 8.662 ( 10.731 10.594 2.276) 15.250 8.951 ( -18.853 14.408 -2.725) 23.884 10.406 ( 2.612 2.725 7.858) 8.718 10.446 ( -1.631 3.380 6.083) 7.148 11.319 ( 17.019 -25.784 -2.630) 31.006 11.654 ( -17.859 -24.261 -2.516) 30.230 13.964 ( 5.209 7.055 -0.359) 8.777 14.041 ( -2.781 5.486 -3.608) 7.131 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -4.388 -4.388 -1.535) 6.393 2.633 ( -11.089 -11.089 -5.121) 16.498 4.234 ( 11.228 11.228 13.108) 20.590 4.435 ( -0.513 -0.513 1.179) 1.384 4.516 ( -3.309 -3.309 -3.123) 5.626 4.645 ( -0.705 -0.705 22.895) 22.916 5.223 ( 9.695 9.695 -15.535) 20.720 5.703 ( 0.147 0.147 -27.149) 27.149 7.247 ( -1.680 -1.680 15.629) 15.809 7.422 ( -3.216 -3.216 7.281) 8.584 8.662 ( 9.087 9.087 3.714) 13.376 9.428 ( -3.867 -3.867 -4.385) 7.010 10.397 ( 1.976 1.976 9.998) 10.381 10.589 ( -2.246 -2.246 6.046) 6.829 10.682 ( 0.217 0.217 -5.168) 5.177 11.590 ( -21.446 -21.446 -2.587) 30.440 13.982 ( 5.991 5.991 1.429) 8.593 14.121 ( 1.238 1.238 -4.670) 4.988 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 968 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 1.643 -7.130 -3.346) 8.045 2.446 ( -7.680 -9.577 -4.507) 13.078 4.425 ( 4.404 4.152 6.037) 8.549 4.447 ( 4.831 2.876 10.112) 11.570 4.463 ( -1.416 -1.622 0.450) 2.200 4.585 ( -5.430 4.191 22.700) 23.714 5.427 ( 11.081 10.454 -21.209) 26.113 5.621 ( -8.094 7.722 -25.715) 28.043 7.272 ( 3.690 -7.598 14.209) 16.530 7.355 ( -4.146 -7.349 11.118) 13.958 8.893 ( 14.919 13.451 -0.842) 20.105 9.209 ( -16.327 11.422 -3.695) 20.266 10.447 ( 3.203 1.091 8.803) 9.431 10.506 ( -3.050 2.324 6.626) 7.655 10.873 ( 14.090 -18.678 -3.515) 23.659 11.196 ( -19.054 -22.566 -3.158) 29.703 14.073 ( 3.566 4.306 -0.341) 5.601 14.120 ( -1.279 2.726 -2.484) 3.904 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -1.545 -1.545 -4.471) 4.976 2.301 ( -4.996 -4.996 -4.836) 8.561 4.420 ( -0.230 -0.230 -0.608) 0.689 4.429 ( -1.157 -1.157 -1.102) 1.973 4.571 ( 4.905 4.905 22.904) 23.932 4.622 ( -0.349 -0.349 24.132) 24.137 5.616 ( 8.209 8.209 -25.965) 28.442 5.703 ( -0.053 -0.053 -27.967) 27.967 7.180 ( -1.217 -1.217 15.152) 15.250 7.226 ( -5.366 -5.366 13.719) 15.678 9.161 ( 13.200 13.200 -3.078) 18.920 9.323 ( -1.427 -1.427 -4.149) 4.614 10.448 ( 0.671 0.671 9.421) 9.469 10.503 ( -2.980 -2.980 8.981) 9.921 10.691 ( 0.162 0.162 -4.584) 4.589 10.828 ( -14.083 -14.083 -4.493) 20.417 14.133 ( 1.927 1.927 -0.719) 2.818 14.148 ( 0.291 0.291 -1.468) 1.524 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.719 ( -0.000 -0.000 0.000) 0.000 4.979 ( -0.000 -0.000 -0.000) 0.000 4.979 ( 0.000 0.000 -0.000) 0.000 5.013 ( -0.000 -0.000 -23.522) 23.522 5.013 ( -0.000 -0.000 23.522) 23.522 7.511 ( -0.000 -0.000 -9.396) 9.396 7.511 ( -0.000 -0.000 9.396) 9.396 10.207 ( 0.000 0.000 0.000) 0.000 10.207 ( -0.000 -0.000 0.000) 0.000 10.613 ( 0.000 0.000 0.000) 0.000 10.613 ( -0.000 -0.000 0.000) 0.000 10.822 ( 0.000 0.000 -2.742) 2.742 10.822 ( -0.000 -0.000 2.742) 2.742 13.714 ( 0.000 0.000 -9.371) 9.371 13.714 ( 0.000 0.000 9.371) 9.371 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -0.916 0.000 -0.264) 0.953 3.151 ( -0.916 0.000 0.264) 0.953 4.628 ( -8.837 0.000 -0.595) 8.858 4.628 ( -8.837 0.000 0.595) 8.858 4.906 ( -4.457 0.000 -2.136) 4.943 4.906 ( -4.457 0.000 2.136) 4.943 5.062 ( 1.871 0.000 -17.149) 17.251 5.062 ( 1.871 0.000 17.149) 17.251 7.591 ( 7.905 0.000 -8.058) 11.288 7.591 ( 7.905 0.000 8.058) 11.288 9.987 ( -33.904 0.000 -2.089) 33.968 9.987 ( -33.904 0.000 2.089) 33.968 10.246 ( -1.406 0.000 -4.375) 4.595 10.246 ( -1.406 0.000 4.375) 4.595 11.355 ( 29.906 0.000 -0.771) 29.916 11.355 ( 29.906 0.000 0.771) 29.916 13.691 ( -2.229 0.000 -9.648) 9.902 13.691 ( -2.229 0.000 9.648) 9.902 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -2.451 0.000 -1.899) 3.100 3.120 ( -2.451 0.000 1.899) 3.100 4.418 ( -11.898 0.000 -0.066) 11.898 4.418 ( -11.898 0.000 0.066) 11.898 4.820 ( -4.392 0.000 -0.311) 4.403 4.820 ( -4.392 0.000 0.311) 4.403 5.069 ( -1.116 0.000 -15.994) 16.033 5.069 ( -1.116 0.000 15.994) 16.033 7.788 ( 11.769 0.000 -6.096) 13.254 7.788 ( 11.769 0.000 6.096) 13.254 9.309 ( -34.524 0.000 -1.492) 34.556 9.309 ( -34.524 0.000 1.492) 34.556 10.261 ( 1.735 0.000 -3.450) 3.862 10.261 ( 1.735 0.000 3.450) 3.862 11.872 ( 23.323 0.000 -2.776) 23.488 11.872 ( 23.323 0.000 2.776) 23.488 13.635 ( -3.331 0.000 -10.548) 11.062 13.635 ( -3.331 0.000 10.548) 11.062 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -4.369 0.000 -4.553) 6.310 3.053 ( -4.369 0.000 4.553) 6.310 4.205 ( -9.565 0.000 -0.788) 9.598 4.205 ( -9.565 0.000 0.788) 9.598 4.743 ( -3.447 0.000 -0.053) 3.447 4.743 ( -3.447 0.000 0.053) 3.447 5.021 ( -3.758 0.000 -14.641) 15.116 5.021 ( -3.758 0.000 14.641) 15.116 8.015 ( 11.174 0.000 -3.893) 11.833 8.015 ( 11.174 0.000 3.893) 11.833 8.694 ( -28.568 0.000 -1.699) 28.618 8.694 ( -28.568 0.000 1.699) 28.618 10.304 ( 2.562 0.000 -2.587) 3.641 10.304 ( 2.562 0.000 2.587) 3.641 12.241 ( 14.830 0.000 -5.535) 15.830 12.241 ( 14.830 0.000 5.535) 15.830 13.576 ( -2.485 0.000 -11.262) 11.533 13.576 ( -2.485 0.000 11.262) 11.533 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -4.767 0.000 -5.262) 7.100 2.961 ( -4.767 0.000 5.262) 7.100 4.064 ( -5.050 0.000 -2.196) 5.507 4.064 ( -5.050 0.000 2.196) 5.507 4.696 ( -1.273 0.000 -2.463) 2.773 4.696 ( -1.273 0.000 2.463) 2.773 4.932 ( -5.189 0.000 -12.890) 13.895 4.932 ( -5.189 0.000 12.890) 13.895 8.181 ( -0.646 0.000 -1.123) 1.295 8.181 ( -0.646 0.000 1.123) 1.295 8.252 ( -10.433 0.000 -6.850) 12.481 8.252 ( -10.433 0.000 6.850) 12.481 10.354 ( 2.485 0.000 -1.562) 2.935 10.354 ( 2.485 0.000 1.562) 2.935 12.445 ( 6.625 0.000 -6.094) 9.002 12.445 ( 6.625 0.000 6.094) 9.002 13.547 ( -0.486 0.000 -9.339) 9.351 13.547 ( -0.486 0.000 9.339) 9.351 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -2.104 0.000 -2.317) 3.129 2.890 ( -2.104 0.000 2.317) 3.129 4.005 ( -1.375 0.000 -1.178) 1.811 4.005 ( -1.375 0.000 1.178) 1.811 4.693 ( 0.575 0.000 -3.509) 3.556 4.693 ( 0.575 0.000 3.509) 3.556 4.842 ( -3.269 0.000 -7.229) 7.934 4.842 ( -3.269 0.000 7.229) 7.934 7.980 ( -6.431 0.000 -0.075) 6.431 7.980 ( -6.431 0.000 0.075) 6.431 8.309 ( 2.628 0.000 -1.989) 3.296 8.309 ( 2.628 0.000 1.989) 3.296 10.390 ( 1.068 0.000 -0.507) 1.182 10.390 ( 1.068 0.000 0.507) 1.182 12.518 ( 1.526 0.000 -2.616) 3.028 12.518 ( 1.526 0.000 2.616) 3.028 13.548 ( 0.231 0.000 -3.618) 3.626 13.548 ( 0.231 0.000 3.618) 3.626 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -3.629 -3.629 0.000) 5.133 3.192 ( 1.267 1.267 0.000) 1.792 4.409 ( -13.208 -13.208 0.000) 18.680 4.707 ( -0.810 -0.810 0.000) 1.145 4.819 ( -4.600 -4.600 -0.000) 6.506 4.919 ( -2.767 -2.767 -0.000) 3.913 5.024 ( 0.656 0.656 0.000) 0.928 5.136 ( 2.768 2.768 -0.000) 3.915 7.523 ( 0.518 0.518 0.000) 0.732 7.776 ( 11.242 11.242 0.000) 15.899 9.376 ( -33.320 -33.320 0.000) 47.122 10.093 ( -5.402 -5.402 0.000) 7.640 10.237 ( 1.543 1.543 0.000) 2.182 10.611 ( -0.119 -0.119 0.000) 0.168 10.826 ( -0.075 -0.075 -0.000) 0.106 11.934 ( 27.161 27.161 0.000) 38.411 13.601 ( -5.423 -5.423 -0.000) 7.669 13.740 ( 1.397 1.397 0.000) 1.976 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -4.292 -6.125 0.000) 7.479 3.191 ( -1.569 2.253 0.000) 2.746 4.160 ( -11.790 -12.921 0.000) 17.491 4.611 ( -7.819 6.307 0.000) 10.046 4.734 ( -4.095 -4.328 -0.000) 5.958 4.872 ( -2.165 -1.441 -0.000) 2.601 5.010 ( -2.688 1.471 0.000) 3.064 5.160 ( -0.303 3.834 -0.000) 3.846 7.608 ( 7.825 -7.137 0.000) 10.591 7.994 ( 10.451 9.362 0.000) 14.031 8.767 ( -28.768 -26.457 0.000) 39.085 9.761 ( -29.087 15.688 0.000) 33.048 10.277 ( 2.424 1.740 0.000) 2.984 10.346 ( -5.735 10.341 0.000) 11.825 11.274 ( 25.323 -31.413 -0.000) 40.349 12.374 ( 17.871 21.568 0.000) 28.010 13.499 ( -4.433 -6.517 -0.000) 7.882 13.749 ( -0.405 4.820 0.000) 4.837 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -4.562 -7.558 0.000) 8.828 3.126 ( -5.158 1.665 0.000) 5.420 3.983 ( -6.150 -9.130 -0.000) 11.008 4.448 ( -8.612 10.634 0.000) 13.684 4.667 ( -2.749 -3.842 -0.000) 4.724 4.821 ( -3.102 3.021 -0.000) 4.330 4.934 ( -4.541 -1.623 0.000) 4.823 5.123 ( -3.499 4.777 -0.000) 5.921 7.792 ( 10.286 -11.407 0.000) 15.359 8.098 ( -5.007 -10.929 0.000) 12.021 8.359 ( -7.826 -1.628 0.000) 7.993 9.154 ( -31.016 22.317 -0.000) 38.211 10.322 ( 1.133 2.639 -0.000) 2.871 10.328 ( 2.796 1.929 0.000) 3.397 11.708 ( 19.470 -29.883 0.000) 35.666 12.593 ( 4.452 9.939 -0.000) 10.891 13.462 ( 1.182 -1.715 -0.000) 2.083 13.732 ( -1.192 7.499 0.000) 7.593 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -3.062 -7.250 0.000) 7.871 3.004 ( -6.978 -0.197 -0.000) 6.980 3.930 ( 0.600 -3.456 -0.000) 3.507 4.285 ( -8.344 12.003 0.000) 14.618 4.634 ( -0.581 -3.291 0.000) 3.341 4.761 ( -2.980 3.766 -0.000) 4.802 4.856 ( -2.990 -2.548 0.000) 3.928 5.032 ( -5.683 5.302 -0.000) 7.772 7.896 ( -8.806 -16.273 0.000) 18.503 7.959 ( 5.393 -12.113 0.000) 13.259 8.381 ( 3.150 8.926 0.000) 9.466 8.636 ( -20.948 20.079 -0.000) 29.017 10.359 ( 2.311 1.171 -0.000) 2.591 10.378 ( 2.270 1.836 0.000) 2.919 12.025 ( 13.744 -25.887 0.000) 29.309 12.570 ( -5.405 -3.859 -0.000) 6.641 13.531 ( 4.923 5.392 -0.000) 7.301 13.707 ( -1.363 8.963 0.000) 9.066 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 0.797 -5.358 0.000) 5.417 2.882 ( -5.116 -2.732 -0.000) 5.800 3.994 ( 5.570 2.845 0.000) 6.254 4.127 ( -7.863 8.727 0.000) 11.747 4.647 ( 1.878 -2.693 0.000) 3.283 4.700 ( -3.345 -0.990 0.000) 3.489 4.845 ( 2.019 2.844 0.000) 3.487 4.921 ( -5.368 5.096 -0.000) 7.401 7.831 ( 2.016 -8.704 0.000) 8.934 7.938 ( -6.688 -7.086 0.000) 9.743 8.412 ( 0.055 7.042 -0.000) 7.042 8.416 ( -2.594 10.748 0.000) 11.057 10.398 ( 1.465 1.070 -0.000) 1.814 10.407 ( 0.557 1.453 0.000) 1.556 12.251 ( 10.162 -20.230 0.000) 22.639 12.430 ( -8.519 -13.277 -0.000) 15.776 13.620 ( 3.834 8.394 -0.000) 9.228 13.675 ( -2.075 9.203 0.000) 9.434 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -6.460 -6.460 0.000) 9.136 3.195 ( -2.104 -2.104 0.000) 2.976 3.954 ( -7.766 -7.766 -0.000) 10.983 4.649 ( -2.162 -2.162 0.000) 3.057 4.656 ( -3.739 -3.739 -0.000) 5.287 4.821 ( -1.415 -1.415 -0.000) 2.000 5.063 ( 1.199 1.199 0.000) 1.696 5.208 ( 1.050 1.050 -0.000) 1.485 7.536 ( -0.055 -0.055 0.000) 0.078 8.038 ( -9.356 -9.356 0.000) 13.231 8.420 ( -4.534 -4.534 0.000) 6.412 9.839 ( -7.219 -7.219 0.000) 10.209 10.320 ( 2.626 2.626 0.000) 3.713 10.605 ( -0.162 -0.162 0.000) 0.228 10.798 ( -1.435 -1.435 -0.000) 2.029 12.647 ( 5.166 5.166 -0.000) 7.305 13.435 ( 1.412 1.412 -0.000) 1.997 13.820 ( 2.685 2.685 0.000) 3.798 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -5.592 -8.276 0.000) 9.988 3.107 ( -6.901 -3.822 0.000) 7.889 3.877 ( -0.143 -1.493 0.000) 1.500 4.571 ( -4.872 1.916 0.000) 5.235 4.595 ( -2.406 -3.539 -0.000) 4.279 4.822 ( 1.050 -0.088 -0.000) 1.054 5.016 ( -6.011 6.872 0.000) 9.130 5.197 ( -2.206 2.774 -0.000) 3.544 7.600 ( 6.041 -7.959 0.000) 9.992 7.777 ( -12.229 -15.910 -0.000) 20.067 8.466 ( 4.286 6.706 0.000) 7.959 9.503 ( -25.129 12.407 0.000) 28.025 10.374 ( 2.838 2.735 0.000) 3.942 10.423 ( -4.785 8.340 0.000) 9.615 11.132 ( 20.237 -28.509 -0.000) 34.961 12.585 ( -9.485 -9.289 -0.000) 13.276 13.548 ( 8.426 9.168 -0.000) 12.452 13.856 ( 1.117 5.345 0.000) 5.460 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -2.560 -9.111 0.000) 9.464 2.946 ( -9.151 -5.838 0.000) 10.855 3.944 ( 6.790 5.023 0.000) 8.446 4.468 ( -6.148 5.437 0.000) 8.207 4.569 ( -0.187 -3.417 -0.000) 3.422 4.855 ( -4.996 4.281 0.000) 6.579 4.859 ( -1.894 5.435 0.000) 5.755 5.128 ( -4.797 4.435 -0.000) 6.533 7.637 ( -2.075 -10.277 0.000) 10.485 7.728 ( 5.855 -11.569 0.000) 12.967 8.526 ( 1.762 6.042 0.000) 6.294 9.004 ( -23.959 17.695 -0.000) 29.785 10.402 ( 1.115 3.409 -0.000) 3.587 10.423 ( 2.061 2.693 0.000) 3.391 11.493 ( 17.119 -28.461 0.000) 33.213 12.351 ( -13.722 -16.805 -0.000) 21.695 13.702 ( 6.911 10.402 -0.000) 12.488 13.866 ( -0.013 7.301 0.000) 7.301 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 2.450 -8.792 0.000) 9.127 2.781 ( -7.267 -7.582 0.000) 10.502 4.118 ( 10.526 9.805 0.000) 14.385 4.319 ( -9.535 9.951 0.000) 13.782 4.594 ( 2.913 -2.674 -0.000) 3.954 4.688 ( -7.073 0.992 0.000) 7.142 4.927 ( 4.495 5.108 0.000) 6.804 5.025 ( -5.514 5.462 0.000) 7.761 7.680 ( 5.412 -6.732 0.000) 8.637 7.773 ( -2.024 -9.399 0.000) 9.614 8.549 ( 1.664 7.103 -0.000) 7.296 8.655 ( -11.236 13.358 0.000) 17.455 10.432 ( 1.474 2.505 -0.000) 2.906 10.446 ( 0.242 2.531 0.000) 2.543 11.798 ( 14.916 -25.772 0.000) 29.777 12.078 ( -14.357 -21.796 0.000) 26.099 13.805 ( 3.785 9.675 -0.000) 10.389 13.853 ( -1.420 8.636 0.000) 8.752 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -7.225 -7.225 0.000) 10.217 2.982 ( -8.833 -8.833 0.000) 12.491 3.929 ( 6.689 6.689 0.000) 9.460 4.535 ( -2.550 -2.550 0.000) 3.606 4.553 ( -2.584 -2.584 -0.000) 3.654 4.857 ( 3.268 3.268 0.000) 4.621 5.101 ( 0.591 0.591 0.000) 0.836 5.224 ( -0.098 -0.098 0.000) 0.138 7.506 ( -1.593 -1.593 0.000) 2.253 7.552 ( -7.005 -7.005 -0.000) 9.906 8.568 ( 3.751 3.751 0.000) 5.304 9.573 ( -6.256 -6.256 0.000) 8.847 10.429 ( 2.903 2.903 0.000) 4.105 10.599 ( -0.122 -0.122 0.000) 0.173 10.726 ( -2.104 -2.104 -0.000) 2.976 12.320 ( -16.643 -16.643 -0.000) 23.537 13.738 ( 9.341 9.341 -0.000) 13.210 13.938 ( 3.266 3.266 0.000) 4.619 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -3.482 -8.920 0.000) 9.576 2.788 ( -10.590 -10.127 0.000) 14.652 4.117 ( 12.120 12.505 0.000) 17.414 4.497 ( -2.987 -1.048 0.000) 3.165 4.505 ( -0.189 -3.063 -0.000) 3.069 4.934 ( 4.533 4.769 0.000) 6.579 5.020 ( -8.689 8.085 0.000) 11.868 5.194 ( -2.898 2.276 0.000) 3.685 7.506 ( 1.536 -3.577 0.000) 3.893 7.529 ( 3.272 -8.489 -0.000) 9.098 8.620 ( 2.292 4.155 0.000) 4.745 9.292 ( -19.958 11.147 0.000) 22.860 10.479 ( 2.051 2.998 -0.000) 3.632 10.489 ( -2.142 5.495 0.000) 5.898 10.972 ( 16.173 -24.211 0.000) 29.116 11.978 ( -18.349 -21.071 -0.000) 27.940 13.887 ( 5.958 8.245 -0.000) 10.172 13.984 ( 1.516 4.910 0.000) 5.139 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 2.432 -10.142 0.000) 10.430 2.602 ( -8.051 -10.567 0.000) 13.285 4.341 ( 8.813 11.372 0.000) 14.387 4.440 ( -3.186 1.882 -0.000) 3.700 4.562 ( 7.781 0.929 0.000) 7.836 4.794 ( -13.661 10.002 0.000) 16.931 5.027 ( 4.963 5.094 0.000) 7.112 5.120 ( -4.531 4.205 0.000) 6.182 7.568 ( 3.382 -5.299 0.000) 6.287 7.588 ( 1.621 -9.528 0.000) 9.665 8.695 ( 6.760 8.426 -0.000) 10.802 8.919 ( -16.614 13.846 0.000) 21.627 10.490 ( 1.050 3.348 -0.000) 3.509 10.501 ( 0.225 3.100 0.000) 3.108 11.291 ( 16.969 -26.069 0.000) 31.105 11.627 ( -17.923 -24.412 0.000) 30.285 13.969 ( 2.694 7.105 -0.000) 7.598 13.996 ( -0.281 6.090 0.000) 6.097 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -5.460 -5.460 0.000) 7.722 2.579 ( -10.827 -10.827 0.000) 15.312 4.403 ( 16.215 16.215 0.000) 22.932 4.456 ( -1.564 -1.564 0.000) 2.211 4.465 ( -1.867 -1.867 -0.000) 2.640 5.028 ( 4.845 4.845 0.000) 6.852 5.105 ( -0.284 -0.284 -0.000) 0.402 5.212 ( -0.413 -0.413 0.000) 0.584 7.420 ( -2.597 -2.597 0.000) 3.673 7.478 ( -0.190 -0.190 0.000) 0.268 8.711 ( 6.197 6.197 0.000) 8.764 9.376 ( -3.846 -3.846 0.000) 5.439 10.531 ( 2.250 2.250 0.000) 3.182 10.596 ( -0.055 -0.055 0.000) 0.078 10.651 ( -1.643 -1.643 0.000) 2.324 11.562 ( -21.650 -21.650 -0.000) 30.618 14.013 ( 4.841 4.841 -0.000) 6.847 14.056 ( 2.674 2.674 0.000) 3.782 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.813 -7.851 0.000) 7.893 2.399 ( -7.272 -9.838 0.000) 12.234 4.430 ( -0.489 -0.400 0.000) 0.632 4.436 ( -0.994 -1.169 -0.000) 1.535 4.730 ( 16.292 14.096 -0.000) 21.543 4.997 ( -10.497 9.120 0.000) 13.905 5.116 ( 4.087 3.941 0.000) 5.677 5.181 ( -2.629 2.066 0.000) 3.343 7.422 ( 2.072 -7.166 0.000) 7.460 7.465 ( -1.643 -5.475 0.000) 5.716 8.888 ( 12.427 11.745 -0.000) 17.099 9.168 ( -15.113 11.004 0.000) 18.695 10.553 ( 0.262 2.933 -0.000) 2.945 10.558 ( 0.426 2.567 0.000) 2.603 10.835 ( 14.001 -19.853 0.000) 24.294 11.162 ( -19.440 -23.203 0.000) 30.270 14.076 ( 1.837 4.054 -0.000) 4.451 14.088 ( 0.558 3.439 0.000) 3.484 ======================= 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 5.98e-04 5.98e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -1.992 -1.992 0.000) 2.817 2.249 ( -5.050 -5.050 0.000) 7.142 4.415 ( -0.558 -0.558 0.000) 0.790 4.416 ( -0.638 -0.638 -0.000) 0.902 4.982 ( 10.412 10.412 -0.000) 14.725 5.090 ( -0.300 -0.300 -0.000) 0.424 5.176 ( 2.229 2.229 0.000) 3.152 5.199 ( -0.188 -0.188 0.000) 0.265 7.336 ( -1.363 -1.363 0.000) 1.928 7.367 ( -4.079 -4.079 0.000) 5.769 9.129 ( 12.125 12.125 -0.000) 17.147 9.278 ( -1.239 -1.239 0.000) 1.752 10.593 ( 0.847 0.847 -0.000) 1.197 10.595 ( -0.012 -0.012 0.000) 0.017 10.607 ( -0.594 -0.594 0.000) 0.839 10.769 ( -16.190 -16.190 -0.000) 22.896 14.127 ( 1.354 1.354 -0.000) 1.915 14.130 ( 1.031 1.031 0.000) 1.457 =================== 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 10.0 939.114 939.114 1194.928 0.000 0.000 0.000 3/34848 20.0 511.770 511.770 519.908 0.000 0.000 0.000 3/34848 30.0 239.099 239.099 232.097 0.000 0.000 0.000 3/34848 40.0 139.199 139.199 141.817 0.000 0.000 0.000 3/34848 50.0 94.515 94.515 101.623 -0.000 0.000 0.000 3/34848 60.0 69.576 69.576 78.091 -0.000 0.000 0.000 3/34848 70.0 53.797 53.797 62.329 -0.000 0.000 0.000 3/34848 80.0 43.114 43.114 51.155 -0.000 0.000 0.000 3/34848 90.0 35.557 35.557 42.978 -0.000 0.000 0.000 3/34848 100.0 30.028 30.028 36.841 -0.000 0.000 0.000 3/34848 110.0 25.866 25.866 32.126 -0.000 0.000 0.000 3/34848 120.0 22.654 22.654 28.427 -0.000 0.000 0.000 3/34848 130.0 20.120 20.120 25.465 -0.000 0.000 0.000 3/34848 140.0 18.082 18.082 23.053 -0.000 0.000 0.000 3/34848 150.0 16.413 16.413 21.055 -0.000 0.000 0.000 3/34848 160.0 15.025 15.025 19.378 -0.000 0.000 0.000 3/34848 170.0 13.855 13.855 17.951 -0.000 0.000 0.000 3/34848 180.0 12.857 12.857 16.724 -0.000 0.000 0.000 3/34848 190.0 11.996 11.996 15.657 -0.000 0.000 0.000 3/34848 200.0 11.245 11.245 14.723 -0.000 0.000 0.000 3/34848 210.0 10.586 10.586 13.896 -0.000 0.000 0.000 3/34848 220.0 10.002 10.002 13.160 -0.000 0.000 0.000 3/34848 230.0 9.482 9.482 12.501 -0.000 0.000 0.000 3/34848 240.0 9.015 9.015 11.907 -0.000 0.000 0.000 3/34848 250.0 8.593 8.593 11.369 -0.000 0.000 0.000 3/34848 260.0 8.210 8.210 10.878 -0.000 0.000 0.000 3/34848 270.0 7.862 7.862 10.430 -0.000 0.000 0.000 3/34848 280.0 7.542 7.542 10.018 -0.000 0.000 0.000 3/34848 290.0 7.249 7.249 9.639 -0.000 0.000 0.000 3/34848 300.0 6.978 6.978 9.288 -0.000 0.000 0.000 3/34848 310.0 6.728 6.728 8.963 -0.000 0.000 0.000 3/34848 320.0 6.496 6.496 8.660 -0.000 0.000 0.000 3/34848 330.0 6.279 6.279 8.378 -0.000 0.000 0.000 3/34848 340.0 6.077 6.077 8.114 -0.000 0.000 0.000 3/34848 350.0 5.888 5.888 7.867 -0.000 0.000 0.000 3/34848 360.0 5.711 5.711 7.634 -0.000 0.000 0.000 3/34848 370.0 5.544 5.544 7.416 -0.000 0.000 0.000 3/34848 380.0 5.387 5.387 7.209 -0.000 0.000 0.000 3/34848 390.0 5.240 5.240 7.015 -0.000 0.000 0.000 3/34848 400.0 5.100 5.100 6.830 -0.000 0.000 0.000 3/34848 410.0 4.967 4.967 6.656 -0.000 0.000 0.000 3/34848 420.0 4.842 4.842 6.490 -0.000 0.000 0.000 3/34848 430.0 4.723 4.723 6.332 -0.000 0.000 0.000 3/34848 440.0 4.609 4.609 6.182 -0.000 0.000 0.000 3/34848 450.0 4.502 4.502 6.040 -0.000 0.000 0.000 3/34848 460.0 4.399 4.399 5.903 -0.000 0.000 0.000 3/34848 470.0 4.301 4.301 5.773 -0.000 0.000 0.000 3/34848 480.0 4.207 4.207 5.649 -0.000 0.000 0.000 3/34848 490.0 4.117 4.117 5.530 -0.000 0.000 0.000 3/34848 500.0 4.031 4.031 5.416 -0.000 0.000 0.000 3/34848 510.0 3.949 3.949 5.306 -0.000 0.000 0.000 3/34848 520.0 3.870 3.870 5.201 -0.000 0.000 0.000 3/34848 530.0 3.794 3.794 5.100 -0.000 0.000 0.000 3/34848 540.0 3.722 3.722 5.003 -0.000 0.000 0.000 3/34848 550.0 3.652 3.652 4.910 -0.000 0.000 0.000 3/34848 560.0 3.584 3.584 4.820 -0.000 0.000 0.000 3/34848 570.0 3.519 3.519 4.734 -0.000 0.000 0.000 3/34848 580.0 3.457 3.457 4.650 -0.000 0.000 0.000 3/34848 590.0 3.396 3.396 4.570 -0.000 0.000 0.000 3/34848 600.0 3.338 3.338 4.492 -0.000 0.000 0.000 3/34848 610.0 3.282 3.282 4.417 -0.000 0.000 0.000 3/34848 620.0 3.228 3.228 4.344 -0.000 0.000 0.000 3/34848 630.0 3.175 3.175 4.274 -0.000 0.000 0.000 3/34848 640.0 3.124 3.124 4.206 -0.000 0.000 0.000 3/34848 650.0 3.075 3.075 4.140 -0.000 0.000 0.000 3/34848 660.0 3.027 3.027 4.076 -0.000 0.000 0.000 3/34848 670.0 2.981 2.981 4.015 -0.000 0.000 0.000 3/34848 680.0 2.936 2.936 3.955 -0.000 0.000 0.000 3/34848 690.0 2.893 2.893 3.896 -0.000 0.000 0.000 3/34848 700.0 2.851 2.851 3.840 -0.000 0.000 0.000 3/34848 710.0 2.810 2.810 3.785 -0.000 0.000 0.000 3/34848 720.0 2.770 2.770 3.732 -0.000 0.000 0.000 3/34848 730.0 2.731 2.731 3.680 -0.000 0.000 0.000 3/34848 740.0 2.694 2.694 3.630 -0.000 0.000 0.000 3/34848 750.0 2.657 2.657 3.581 -0.000 0.000 0.000 3/34848 760.0 2.622 2.622 3.533 -0.000 0.000 0.000 3/34848 770.0 2.587 2.587 3.487 -0.000 0.000 0.000 3/34848 780.0 2.553 2.553 3.441 -0.000 0.000 0.000 3/34848 790.0 2.520 2.520 3.397 -0.000 0.000 0.000 3/34848 800.0 2.488 2.488 3.354 -0.000 0.000 0.000 3/34848 810.0 2.457 2.457 3.313 -0.000 0.000 0.000 3/34848 820.0 2.427 2.427 3.272 -0.000 0.000 0.000 3/34848 830.0 2.397 2.397 3.232 -0.000 0.000 0.000 3/34848 840.0 2.368 2.368 3.193 -0.000 0.000 0.000 3/34848 850.0 2.340 2.340 3.155 -0.000 0.000 0.000 3/34848 860.0 2.313 2.313 3.118 -0.000 0.000 0.000 3/34848 870.0 2.286 2.286 3.082 -0.000 0.000 0.000 3/34848 880.0 2.259 2.259 3.047 -0.000 0.000 0.000 3/34848 890.0 2.234 2.234 3.012 -0.000 0.000 0.000 3/34848 900.0 2.209 2.209 2.978 -0.000 0.000 0.000 3/34848 910.0 2.184 2.184 2.945 -0.000 0.000 0.000 3/34848 920.0 2.160 2.160 2.913 -0.000 0.000 0.000 3/34848 930.0 2.136 2.136 2.882 -0.000 0.000 0.000 3/34848 940.0 2.114 2.114 2.851 -0.000 0.000 0.000 3/34848 950.0 2.091 2.091 2.821 -0.000 0.000 0.000 3/34848 960.0 2.069 2.069 2.791 -0.000 0.000 0.000 3/34848 970.0 2.048 2.048 2.762 -0.000 0.000 0.000 3/34848 980.0 2.026 2.026 2.734 -0.000 0.000 0.000 3/34848 990.0 2.006 2.006 2.706 -0.000 0.000 0.000 3/34848 1000.0 1.986 1.986 2.679 -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 19:00:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|