----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:09:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 216 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.603651523158219 0.000000000000000 0.000000000000000 b -1.801825761579110 3.120853765441503 0.000000000000000 c 0.000000000000000 0.000000000000000 6.262838410000000 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 *2 F 0.66666666666667 0.33333333333333 0.38590222266153 18.998 3 F 0.33333333333333 0.66666666666667 0.61409777733847 18.998 *4 Ho 0.33333333333333 0.66666666666667 0.21311466169324 164.930 5 Ho 0.66666666666667 0.33333333333333 0.78688533830676 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.603651523158219 0.000000000000000 0.000000000000000 b -1.801825761579110 3.120853765441503 0.000000000000000 c 0.000000000000000 0.000000000000000 6.262838410000000 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 *2 F 0.66666666666667 0.33333333333333 0.38590222266153 18.998 > 2 3 F 0.33333333333333 0.66666666666667 0.61409777733847 18.998 > 3 *4 Ho 0.33333333333333 0.66666666666667 0.21311466169324 164.930 > 4 5 Ho 0.66666666666667 0.33333333333333 0.78688533830676 164.930 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.810954569474656 0.000000000000000 0.000000000000000 b -5.405477284737330 9.362561296324509 0.000000000000000 c 0.000000000000000 0.000000000000000 12.525676819999999 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.33333333333333 0.00000000000000 0.00000000000000 12.011 > 1 3 C 0.66666666666667 0.00000000000000 0.00000000000000 12.011 > 1 4 C 0.00000000000000 0.33333333333333 0.00000000000000 12.011 > 1 5 C 0.33333333333333 0.33333333333333 0.00000000000000 12.011 > 1 6 C 0.66666666666667 0.33333333333333 0.00000000000000 12.011 > 1 7 C 0.00000000000000 0.66666666666667 0.00000000000000 12.011 > 1 8 C 0.33333333333333 0.66666666666667 0.00000000000000 12.011 > 1 9 C 0.66666666666667 0.66666666666667 0.00000000000000 12.011 > 1 10 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 11 C 0.33333333333333 0.00000000000000 0.50000000000000 12.011 > 1 12 C 0.66666666666667 0.00000000000000 0.50000000000000 12.011 > 1 13 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 14 C 0.33333333333333 0.33333333333333 0.50000000000000 12.011 > 1 15 C 0.66666666666667 0.33333333333333 0.50000000000000 12.011 > 1 16 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 17 C 0.33333333333333 0.66666666666667 0.50000000000000 12.011 > 1 18 C 0.66666666666667 0.66666666666667 0.50000000000000 12.011 > 1 *19 F 0.22222222222222 0.11111111111111 0.19295111133076 18.998 > 2 20 F 0.55555555555556 0.11111111111111 0.19295111133076 18.998 > 2 21 F 0.88888888888889 0.11111111111111 0.19295111133076 18.998 > 2 22 F 0.22222222222222 0.44444444444444 0.19295111133076 18.998 > 2 23 F 0.55555555555556 0.44444444444444 0.19295111133076 18.998 > 2 24 F 0.88888888888889 0.44444444444444 0.19295111133076 18.998 > 2 25 F 0.22222222222222 0.77777777777778 0.19295111133076 18.998 > 2 26 F 0.55555555555556 0.77777777777778 0.19295111133076 18.998 > 2 27 F 0.88888888888889 0.77777777777778 0.19295111133076 18.998 > 2 28 F 0.22222222222222 0.11111111111111 0.69295111133076 18.998 > 2 29 F 0.55555555555556 0.11111111111111 0.69295111133076 18.998 > 2 30 F 0.88888888888889 0.11111111111111 0.69295111133076 18.998 > 2 31 F 0.22222222222222 0.44444444444444 0.69295111133076 18.998 > 2 32 F 0.55555555555556 0.44444444444444 0.69295111133076 18.998 > 2 33 F 0.88888888888889 0.44444444444444 0.69295111133076 18.998 > 2 34 F 0.22222222222222 0.77777777777778 0.69295111133076 18.998 > 2 35 F 0.55555555555556 0.77777777777778 0.69295111133076 18.998 > 2 36 F 0.88888888888889 0.77777777777778 0.69295111133076 18.998 > 2 37 F 0.11111111111111 0.22222222222222 0.30704888866924 18.998 > 3 38 F 0.44444444444444 0.22222222222222 0.30704888866924 18.998 > 3 39 F 0.77777777777778 0.22222222222222 0.30704888866924 18.998 > 3 40 F 0.11111111111111 0.55555555555556 0.30704888866924 18.998 > 3 41 F 0.44444444444444 0.55555555555556 0.30704888866924 18.998 > 3 42 F 0.77777777777778 0.55555555555556 0.30704888866924 18.998 > 3 43 F 0.11111111111111 0.88888888888889 0.30704888866924 18.998 > 3 44 F 0.44444444444444 0.88888888888889 0.30704888866924 18.998 > 3 45 F 0.77777777777778 0.88888888888889 0.30704888866924 18.998 > 3 46 F 0.11111111111111 0.22222222222222 0.80704888866924 18.998 > 3 47 F 0.44444444444444 0.22222222222222 0.80704888866924 18.998 > 3 48 F 0.77777777777778 0.22222222222222 0.80704888866924 18.998 > 3 49 F 0.11111111111111 0.55555555555556 0.80704888866924 18.998 > 3 50 F 0.44444444444444 0.55555555555556 0.80704888866924 18.998 > 3 51 F 0.77777777777778 0.55555555555556 0.80704888866924 18.998 > 3 52 F 0.11111111111111 0.88888888888889 0.80704888866924 18.998 > 3 53 F 0.44444444444444 0.88888888888889 0.80704888866924 18.998 > 3 54 F 0.77777777777778 0.88888888888889 0.80704888866924 18.998 > 3 *55 Ho 0.11111111111111 0.22222222222222 0.10655733084662 164.930 > 4 56 Ho 0.44444444444444 0.22222222222222 0.10655733084662 164.930 > 4 57 Ho 0.77777777777778 0.22222222222222 0.10655733084662 164.930 > 4 58 Ho 0.11111111111111 0.55555555555556 0.10655733084662 164.930 > 4 59 Ho 0.44444444444444 0.55555555555556 0.10655733084662 164.930 > 4 60 Ho 0.77777777777778 0.55555555555556 0.10655733084662 164.930 > 4 61 Ho 0.11111111111111 0.88888888888889 0.10655733084662 164.930 > 4 62 Ho 0.44444444444444 0.88888888888889 0.10655733084662 164.930 > 4 63 Ho 0.77777777777778 0.88888888888889 0.10655733084662 164.930 > 4 64 Ho 0.11111111111111 0.22222222222222 0.60655733084662 164.930 > 4 65 Ho 0.44444444444444 0.22222222222222 0.60655733084662 164.930 > 4 66 Ho 0.77777777777778 0.22222222222222 0.60655733084662 164.930 > 4 67 Ho 0.11111111111111 0.55555555555556 0.60655733084662 164.930 > 4 68 Ho 0.44444444444444 0.55555555555556 0.60655733084662 164.930 > 4 69 Ho 0.77777777777778 0.55555555555556 0.60655733084662 164.930 > 4 70 Ho 0.11111111111111 0.88888888888889 0.60655733084662 164.930 > 4 71 Ho 0.44444444444444 0.88888888888889 0.60655733084662 164.930 > 4 72 Ho 0.77777777777778 0.88888888888889 0.60655733084662 164.930 > 4 73 Ho 0.22222222222222 0.11111111111111 0.39344266915338 164.930 > 5 74 Ho 0.55555555555556 0.11111111111111 0.39344266915338 164.930 > 5 75 Ho 0.88888888888889 0.11111111111111 0.39344266915338 164.930 > 5 76 Ho 0.22222222222222 0.44444444444444 0.39344266915338 164.930 > 5 77 Ho 0.55555555555556 0.44444444444444 0.39344266915338 164.930 > 5 78 Ho 0.88888888888889 0.44444444444444 0.39344266915338 164.930 > 5 79 Ho 0.22222222222222 0.77777777777778 0.39344266915338 164.930 > 5 80 Ho 0.55555555555556 0.77777777777778 0.39344266915338 164.930 > 5 81 Ho 0.88888888888889 0.77777777777778 0.39344266915338 164.930 > 5 82 Ho 0.22222222222222 0.11111111111111 0.89344266915338 164.930 > 5 83 Ho 0.55555555555556 0.11111111111111 0.89344266915338 164.930 > 5 84 Ho 0.88888888888889 0.11111111111111 0.89344266915338 164.930 > 5 85 Ho 0.22222222222222 0.44444444444444 0.89344266915338 164.930 > 5 86 Ho 0.55555555555556 0.44444444444444 0.89344266915338 164.930 > 5 87 Ho 0.88888888888889 0.44444444444444 0.89344266915338 164.930 > 5 88 Ho 0.22222222222222 0.77777777777778 0.89344266915338 164.930 > 5 89 Ho 0.55555555555556 0.77777777777778 0.89344266915338 164.930 > 5 90 Ho 0.88888888888889 0.77777777777778 0.89344266915338 164.930 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.9146204 0.0000000 0.0000000 0.0000000 9.9146204 0.0000000 0.0000000 0.0000000 4.5382575 -------------------------- Born effective charges -------------------------- 1 C -5.3096630 0.0000000 0.0000000 0.0000000 -5.3096630 0.0000000 0.0000000 0.0000000 -1.8722775 2 F -1.6826703 0.0000000 0.0000000 0.0000000 -1.6826703 0.0000000 0.0000000 0.0000000 -2.0718477 3 F -1.6826703 0.0000000 0.0000000 0.0000000 -1.6826703 0.0000000 0.0000000 0.0000000 -2.0718477 4 Ho 4.3375018 -0.0000000 0.0000000 0.0000000 4.3375018 0.0000000 0.0000000 0.0000000 3.0079864 5 Ho 4.3375018 -0.0000000 0.0000000 0.0000000 4.3375018 0.0000000 0.0000000 0.0000000 3.0079864 ---------------------------------------------------------------------------- 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: 270/270 Permutation basis: 2400/2400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 224 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (224, 218), data: False |-- (56, 53), data: True |-- (66, 66), data: True |-- (102, 99), data: True ----- Solver_atoms: 1 -- 90 / 90 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.094 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.100 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 270/270 Permutation basis: 2400/2400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 224 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (224, 218), data: False |-- (56, 53), data: True |-- (66, 66), data: True |-- (102, 99), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:09:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:09:38]------------------------- 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): [3 3 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.603651523158219 0.000000000000000 0.000000000000000 b -1.801825761579110 3.120853765441503 0.000000000000000 c 0.000000000000000 0.000000000000000 6.262838410000000 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 2 F 0.66666666666667 0.33333333333333 0.38590222266153 18.998 3 F 0.33333333333333 0.66666666666667 0.61409777733847 18.998 4 Ho 0.33333333333333 0.66666666666667 0.21311466169324 164.930 5 Ho 0.66666666666667 0.33333333333333 0.78688533830676 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.810954569474656 0.000000000000000 0.000000000000000 b -5.405477284737330 9.362561296324509 0.000000000000000 c 0.000000000000000 0.000000000000000 12.525676819999999 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.33333333333333 0.00000000000000 0.00000000000000 12.011 > 1 3 C 0.66666666666667 0.00000000000000 0.00000000000000 12.011 > 1 4 C 0.00000000000000 0.33333333333333 0.00000000000000 12.011 > 1 5 C 0.33333333333333 0.33333333333333 0.00000000000000 12.011 > 1 6 C 0.66666666666667 0.33333333333333 0.00000000000000 12.011 > 1 7 C 0.00000000000000 0.66666666666667 0.00000000000000 12.011 > 1 8 C 0.33333333333333 0.66666666666667 0.00000000000000 12.011 > 1 9 C 0.66666666666667 0.66666666666667 0.00000000000000 12.011 > 1 10 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 11 C 0.33333333333333 0.00000000000000 0.50000000000000 12.011 > 1 12 C 0.66666666666667 0.00000000000000 0.50000000000000 12.011 > 1 13 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 14 C 0.33333333333333 0.33333333333333 0.50000000000000 12.011 > 1 15 C 0.66666666666667 0.33333333333333 0.50000000000000 12.011 > 1 16 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 17 C 0.33333333333333 0.66666666666667 0.50000000000000 12.011 > 1 18 C 0.66666666666667 0.66666666666667 0.50000000000000 12.011 > 1 19 F 0.22222222222222 0.11111111111111 0.19295111133076 18.998 > 19 20 F 0.55555555555556 0.11111111111111 0.19295111133076 18.998 > 19 21 F 0.88888888888889 0.11111111111111 0.19295111133076 18.998 > 19 22 F 0.22222222222222 0.44444444444444 0.19295111133076 18.998 > 19 23 F 0.55555555555556 0.44444444444444 0.19295111133076 18.998 > 19 24 F 0.88888888888889 0.44444444444444 0.19295111133076 18.998 > 19 25 F 0.22222222222222 0.77777777777778 0.19295111133076 18.998 > 19 26 F 0.55555555555556 0.77777777777778 0.19295111133076 18.998 > 19 27 F 0.88888888888889 0.77777777777778 0.19295111133076 18.998 > 19 28 F 0.22222222222222 0.11111111111111 0.69295111133076 18.998 > 19 29 F 0.55555555555556 0.11111111111111 0.69295111133076 18.998 > 19 30 F 0.88888888888889 0.11111111111111 0.69295111133076 18.998 > 19 31 F 0.22222222222222 0.44444444444444 0.69295111133076 18.998 > 19 32 F 0.55555555555556 0.44444444444444 0.69295111133076 18.998 > 19 33 F 0.88888888888889 0.44444444444444 0.69295111133076 18.998 > 19 34 F 0.22222222222222 0.77777777777778 0.69295111133076 18.998 > 19 35 F 0.55555555555556 0.77777777777778 0.69295111133076 18.998 > 19 36 F 0.88888888888889 0.77777777777778 0.69295111133076 18.998 > 19 37 F 0.11111111111111 0.22222222222222 0.30704888866924 18.998 > 37 38 F 0.44444444444444 0.22222222222222 0.30704888866924 18.998 > 37 39 F 0.77777777777778 0.22222222222222 0.30704888866924 18.998 > 37 40 F 0.11111111111111 0.55555555555556 0.30704888866924 18.998 > 37 41 F 0.44444444444444 0.55555555555556 0.30704888866924 18.998 > 37 42 F 0.77777777777778 0.55555555555556 0.30704888866924 18.998 > 37 43 F 0.11111111111111 0.88888888888889 0.30704888866924 18.998 > 37 44 F 0.44444444444444 0.88888888888889 0.30704888866924 18.998 > 37 45 F 0.77777777777778 0.88888888888889 0.30704888866924 18.998 > 37 46 F 0.11111111111111 0.22222222222222 0.80704888866924 18.998 > 37 47 F 0.44444444444444 0.22222222222222 0.80704888866924 18.998 > 37 48 F 0.77777777777778 0.22222222222222 0.80704888866924 18.998 > 37 49 F 0.11111111111111 0.55555555555556 0.80704888866924 18.998 > 37 50 F 0.44444444444444 0.55555555555556 0.80704888866924 18.998 > 37 51 F 0.77777777777778 0.55555555555556 0.80704888866924 18.998 > 37 52 F 0.11111111111111 0.88888888888889 0.80704888866924 18.998 > 37 53 F 0.44444444444444 0.88888888888889 0.80704888866924 18.998 > 37 54 F 0.77777777777778 0.88888888888889 0.80704888866924 18.998 > 37 55 Ho 0.11111111111111 0.22222222222222 0.10655733084662 164.930 > 55 56 Ho 0.44444444444444 0.22222222222222 0.10655733084662 164.930 > 55 57 Ho 0.77777777777778 0.22222222222222 0.10655733084662 164.930 > 55 58 Ho 0.11111111111111 0.55555555555556 0.10655733084662 164.930 > 55 59 Ho 0.44444444444444 0.55555555555556 0.10655733084662 164.930 > 55 60 Ho 0.77777777777778 0.55555555555556 0.10655733084662 164.930 > 55 61 Ho 0.11111111111111 0.88888888888889 0.10655733084662 164.930 > 55 62 Ho 0.44444444444444 0.88888888888889 0.10655733084662 164.930 > 55 63 Ho 0.77777777777778 0.88888888888889 0.10655733084662 164.930 > 55 64 Ho 0.11111111111111 0.22222222222222 0.60655733084662 164.930 > 55 65 Ho 0.44444444444444 0.22222222222222 0.60655733084662 164.930 > 55 66 Ho 0.77777777777778 0.22222222222222 0.60655733084662 164.930 > 55 67 Ho 0.11111111111111 0.55555555555556 0.60655733084662 164.930 > 55 68 Ho 0.44444444444444 0.55555555555556 0.60655733084662 164.930 > 55 69 Ho 0.77777777777778 0.55555555555556 0.60655733084662 164.930 > 55 70 Ho 0.11111111111111 0.88888888888889 0.60655733084662 164.930 > 55 71 Ho 0.44444444444444 0.88888888888889 0.60655733084662 164.930 > 55 72 Ho 0.77777777777778 0.88888888888889 0.60655733084662 164.930 > 55 73 Ho 0.22222222222222 0.11111111111111 0.39344266915338 164.930 > 73 74 Ho 0.55555555555556 0.11111111111111 0.39344266915338 164.930 > 73 75 Ho 0.88888888888889 0.11111111111111 0.39344266915338 164.930 > 73 76 Ho 0.22222222222222 0.44444444444444 0.39344266915338 164.930 > 73 77 Ho 0.55555555555556 0.44444444444444 0.39344266915338 164.930 > 73 78 Ho 0.88888888888889 0.44444444444444 0.39344266915338 164.930 > 73 79 Ho 0.22222222222222 0.77777777777778 0.39344266915338 164.930 > 73 80 Ho 0.55555555555556 0.77777777777778 0.39344266915338 164.930 > 73 81 Ho 0.88888888888889 0.77777777777778 0.39344266915338 164.930 > 73 82 Ho 0.22222222222222 0.11111111111111 0.89344266915338 164.930 > 73 83 Ho 0.55555555555556 0.11111111111111 0.89344266915338 164.930 > 73 84 Ho 0.88888888888889 0.11111111111111 0.89344266915338 164.930 > 73 85 Ho 0.22222222222222 0.44444444444444 0.89344266915338 164.930 > 73 86 Ho 0.55555555555556 0.44444444444444 0.89344266915338 164.930 > 73 87 Ho 0.88888888888889 0.44444444444444 0.89344266915338 164.930 > 73 88 Ho 0.22222222222222 0.77777777777778 0.89344266915338 164.930 > 73 89 Ho 0.55555555555556 0.77777777777778 0.89344266915338 164.930 > 73 90 Ho 0.88888888888889 0.77777777777778 0.89344266915338 164.930 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.9146204 0.0000000 0.0000000 0.0000000 9.9146204 0.0000000 0.0000000 0.0000000 4.5382575 -------------------------- Born effective charges -------------------------- 1 C -5.3096630 0.0000000 0.0000000 0.0000000 -5.3096630 0.0000000 0.0000000 0.0000000 -1.8722775 2 F -1.6826703 0.0000000 0.0000000 0.0000000 -1.6826703 0.0000000 0.0000000 0.0000000 -2.0718477 3 F -1.6826703 0.0000000 0.0000000 0.0000000 -1.6826703 0.0000000 0.0000000 0.0000000 -2.0718477 4 Ho 4.3375018 -0.0000000 0.0000000 0.0000000 4.3375018 0.0000000 0.0000000 0.0000000 3.0079864 5 Ho 4.3375018 -0.0000000 0.0000000 0.0000000 4.3375018 0.0000000 0.0000000 0.0000000 3.0079864 ---------------------------------------------------------------------------- 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[ 19, 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[ 55, 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: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) 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 23:09:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:09:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.603651523158219 0.000000000000000 0.000000000000000 b -1.801825761579110 3.120853765441503 0.000000000000000 c 0.000000000000000 0.000000000000000 6.262838410000000 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 2 F 0.66666666666667 0.33333333333333 0.38590222266153 18.998 3 F 0.33333333333333 0.66666666666667 0.61409777733847 18.998 4 Ho 0.33333333333333 0.66666666666667 0.21311466169324 164.930 5 Ho 0.66666666666667 0.33333333333333 0.78688533830676 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.810954569474656 0.000000000000000 0.000000000000000 b -5.405477284737330 9.362561296324509 0.000000000000000 c 0.000000000000000 0.000000000000000 12.525676819999999 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.33333333333333 0.00000000000000 0.00000000000000 12.011 > 1 3 C 0.66666666666667 0.00000000000000 0.00000000000000 12.011 > 1 4 C 0.00000000000000 0.33333333333333 0.00000000000000 12.011 > 1 5 C 0.33333333333333 0.33333333333333 0.00000000000000 12.011 > 1 6 C 0.66666666666667 0.33333333333333 0.00000000000000 12.011 > 1 7 C 0.00000000000000 0.66666666666667 0.00000000000000 12.011 > 1 8 C 0.33333333333333 0.66666666666667 0.00000000000000 12.011 > 1 9 C 0.66666666666667 0.66666666666667 0.00000000000000 12.011 > 1 10 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 11 C 0.33333333333333 0.00000000000000 0.50000000000000 12.011 > 1 12 C 0.66666666666667 0.00000000000000 0.50000000000000 12.011 > 1 13 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 14 C 0.33333333333333 0.33333333333333 0.50000000000000 12.011 > 1 15 C 0.66666666666667 0.33333333333333 0.50000000000000 12.011 > 1 16 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 17 C 0.33333333333333 0.66666666666667 0.50000000000000 12.011 > 1 18 C 0.66666666666667 0.66666666666667 0.50000000000000 12.011 > 1 19 F 0.22222222222222 0.11111111111111 0.19295111133076 18.998 > 19 20 F 0.55555555555556 0.11111111111111 0.19295111133076 18.998 > 19 21 F 0.88888888888889 0.11111111111111 0.19295111133076 18.998 > 19 22 F 0.22222222222222 0.44444444444444 0.19295111133076 18.998 > 19 23 F 0.55555555555556 0.44444444444444 0.19295111133076 18.998 > 19 24 F 0.88888888888889 0.44444444444444 0.19295111133076 18.998 > 19 25 F 0.22222222222222 0.77777777777778 0.19295111133076 18.998 > 19 26 F 0.55555555555556 0.77777777777778 0.19295111133076 18.998 > 19 27 F 0.88888888888889 0.77777777777778 0.19295111133076 18.998 > 19 28 F 0.22222222222222 0.11111111111111 0.69295111133076 18.998 > 19 29 F 0.55555555555556 0.11111111111111 0.69295111133076 18.998 > 19 30 F 0.88888888888889 0.11111111111111 0.69295111133076 18.998 > 19 31 F 0.22222222222222 0.44444444444444 0.69295111133076 18.998 > 19 32 F 0.55555555555556 0.44444444444444 0.69295111133076 18.998 > 19 33 F 0.88888888888889 0.44444444444444 0.69295111133076 18.998 > 19 34 F 0.22222222222222 0.77777777777778 0.69295111133076 18.998 > 19 35 F 0.55555555555556 0.77777777777778 0.69295111133076 18.998 > 19 36 F 0.88888888888889 0.77777777777778 0.69295111133076 18.998 > 19 37 F 0.11111111111111 0.22222222222222 0.30704888866924 18.998 > 37 38 F 0.44444444444444 0.22222222222222 0.30704888866924 18.998 > 37 39 F 0.77777777777778 0.22222222222222 0.30704888866924 18.998 > 37 40 F 0.11111111111111 0.55555555555556 0.30704888866924 18.998 > 37 41 F 0.44444444444444 0.55555555555556 0.30704888866924 18.998 > 37 42 F 0.77777777777778 0.55555555555556 0.30704888866924 18.998 > 37 43 F 0.11111111111111 0.88888888888889 0.30704888866924 18.998 > 37 44 F 0.44444444444444 0.88888888888889 0.30704888866924 18.998 > 37 45 F 0.77777777777778 0.88888888888889 0.30704888866924 18.998 > 37 46 F 0.11111111111111 0.22222222222222 0.80704888866924 18.998 > 37 47 F 0.44444444444444 0.22222222222222 0.80704888866924 18.998 > 37 48 F 0.77777777777778 0.22222222222222 0.80704888866924 18.998 > 37 49 F 0.11111111111111 0.55555555555556 0.80704888866924 18.998 > 37 50 F 0.44444444444444 0.55555555555556 0.80704888866924 18.998 > 37 51 F 0.77777777777778 0.55555555555556 0.80704888866924 18.998 > 37 52 F 0.11111111111111 0.88888888888889 0.80704888866924 18.998 > 37 53 F 0.44444444444444 0.88888888888889 0.80704888866924 18.998 > 37 54 F 0.77777777777778 0.88888888888889 0.80704888866924 18.998 > 37 55 Ho 0.11111111111111 0.22222222222222 0.10655733084662 164.930 > 55 56 Ho 0.44444444444444 0.22222222222222 0.10655733084662 164.930 > 55 57 Ho 0.77777777777778 0.22222222222222 0.10655733084662 164.930 > 55 58 Ho 0.11111111111111 0.55555555555556 0.10655733084662 164.930 > 55 59 Ho 0.44444444444444 0.55555555555556 0.10655733084662 164.930 > 55 60 Ho 0.77777777777778 0.55555555555556 0.10655733084662 164.930 > 55 61 Ho 0.11111111111111 0.88888888888889 0.10655733084662 164.930 > 55 62 Ho 0.44444444444444 0.88888888888889 0.10655733084662 164.930 > 55 63 Ho 0.77777777777778 0.88888888888889 0.10655733084662 164.930 > 55 64 Ho 0.11111111111111 0.22222222222222 0.60655733084662 164.930 > 55 65 Ho 0.44444444444444 0.22222222222222 0.60655733084662 164.930 > 55 66 Ho 0.77777777777778 0.22222222222222 0.60655733084662 164.930 > 55 67 Ho 0.11111111111111 0.55555555555556 0.60655733084662 164.930 > 55 68 Ho 0.44444444444444 0.55555555555556 0.60655733084662 164.930 > 55 69 Ho 0.77777777777778 0.55555555555556 0.60655733084662 164.930 > 55 70 Ho 0.11111111111111 0.88888888888889 0.60655733084662 164.930 > 55 71 Ho 0.44444444444444 0.88888888888889 0.60655733084662 164.930 > 55 72 Ho 0.77777777777778 0.88888888888889 0.60655733084662 164.930 > 55 73 Ho 0.22222222222222 0.11111111111111 0.39344266915338 164.930 > 73 74 Ho 0.55555555555556 0.11111111111111 0.39344266915338 164.930 > 73 75 Ho 0.88888888888889 0.11111111111111 0.39344266915338 164.930 > 73 76 Ho 0.22222222222222 0.44444444444444 0.39344266915338 164.930 > 73 77 Ho 0.55555555555556 0.44444444444444 0.39344266915338 164.930 > 73 78 Ho 0.88888888888889 0.44444444444444 0.39344266915338 164.930 > 73 79 Ho 0.22222222222222 0.77777777777778 0.39344266915338 164.930 > 73 80 Ho 0.55555555555556 0.77777777777778 0.39344266915338 164.930 > 73 81 Ho 0.88888888888889 0.77777777777778 0.39344266915338 164.930 > 73 82 Ho 0.22222222222222 0.11111111111111 0.89344266915338 164.930 > 73 83 Ho 0.55555555555556 0.11111111111111 0.89344266915338 164.930 > 73 84 Ho 0.88888888888889 0.11111111111111 0.89344266915338 164.930 > 73 85 Ho 0.22222222222222 0.44444444444444 0.89344266915338 164.930 > 73 86 Ho 0.55555555555556 0.44444444444444 0.89344266915338 164.930 > 73 87 Ho 0.88888888888889 0.44444444444444 0.89344266915338 164.930 > 73 88 Ho 0.22222222222222 0.77777777777778 0.89344266915338 164.930 > 73 89 Ho 0.55555555555556 0.77777777777778 0.89344266915338 164.930 > 73 90 Ho 0.88888888888889 0.77777777777778 0.89344266915338 164.930 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.9146204 0.0000000 0.0000000 0.0000000 9.9146204 0.0000000 0.0000000 0.0000000 4.5382575 -------------------------- Born effective charges -------------------------- 1 C -5.3096630 0.0000000 0.0000000 0.0000000 -5.3096630 0.0000000 0.0000000 0.0000000 -1.8722775 2 F -1.6826703 0.0000000 0.0000000 0.0000000 -1.6826703 0.0000000 0.0000000 0.0000000 -2.0718477 3 F -1.6826703 0.0000000 0.0000000 0.0000000 -1.6826703 0.0000000 0.0000000 0.0000000 -2.0718477 4 Ho 4.3375018 -0.0000000 0.0000000 0.0000000 4.3375018 0.0000000 0.0000000 0.0000000 3.0079864 5 Ho 4.3375018 -0.0000000 0.0000000 0.0000000 4.3375018 0.0000000 0.0000000 0.0000000 3.0079864 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.01, Number of G-points: 301, Lambda: 0.30 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/213) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 213 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 3.151 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 16.705 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/213) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 22.072 12.744 -4.898) 25.953 0.508 ( 21.990 12.696 -5.031) 25.886 1.031 ( 44.046 25.430 4.874) 51.093 3.164 ( 1.071 0.618 0.766) 1.455 3.265 ( 9.130 5.271 -0.741) 10.569 5.697 ( -4.072 -2.351 0.055) 4.703 6.008 ( 4.678 2.701 -1.348) 5.568 6.141 ( 3.294 1.902 -2.565) 4.588 8.162 ( -7.827 -4.519 0.541) 9.054 9.789 ( -6.513 -3.760 0.765) 7.559 9.869 ( 0.110 0.063 1.921) 1.925 10.726 ( 0.183 0.106 0.100) 0.234 11.150 ( -2.400 -1.386 -0.275) 2.785 16.601 ( -8.588 -4.958 -20.825) 23.065 16.697 ( 6.139 3.545 20.382) 21.579 ======================= Grid point 2 (3/213) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 21.780 12.574 -3.581) 25.403 1.017 ( 23.421 13.522 -3.960) 27.332 2.023 ( 41.389 23.896 4.089) 47.967 3.200 ( 2.005 1.158 1.222) 2.618 3.530 ( 12.943 7.472 -1.022) 14.980 5.560 ( -7.657 -4.421 -0.032) 8.841 6.169 ( 9.014 5.204 -2.619) 10.733 6.247 ( 5.635 3.253 -4.187) 7.737 7.913 ( -13.323 -7.692 -3.262) 15.726 9.595 ( -9.294 -5.366 3.874) 11.410 9.876 ( 0.609 0.352 2.682) 2.773 10.738 ( 0.874 0.504 0.945) 1.382 11.088 ( -2.478 -1.430 -0.054) 2.861 16.311 ( -16.211 -9.359 -5.676) 19.560 16.859 ( 6.773 3.911 5.147) 9.363 ======================= Grid point 3 (4/213) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 20.643 11.918 -1.688) 23.897 1.548 ( 22.225 12.831 -2.707) 25.805 2.920 ( 35.273 20.365 2.535) 40.808 3.254 ( 2.633 1.520 1.230) 3.279 3.843 ( 14.294 8.253 -0.261) 16.508 5.348 ( -10.497 -6.060 -0.849) 12.151 6.388 ( 6.197 3.578 -4.276) 8.336 6.407 ( 10.889 6.287 -3.116) 12.954 7.560 ( -16.971 -9.798 -12.571) 23.282 9.409 ( -5.660 -3.268 9.631) 11.639 9.899 ( 1.420 0.820 1.468) 2.201 10.760 ( 0.813 0.470 2.613) 2.776 11.064 ( 1.051 0.607 1.024) 1.588 15.864 ( -22.150 -12.788 -2.799) 25.729 16.976 ( 3.042 1.756 2.533) 4.331 ======================= Grid point 4 (5/213) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 18.206 10.511 0.091) 21.023 2.039 ( 20.246 11.689 -1.184) 23.408 3.318 ( 2.810 1.622 0.857) 3.356 3.586 ( 20.747 11.978 -0.537) 23.963 4.234 ( 20.693 11.947 2.824) 24.060 5.081 ( -12.412 -7.166 -3.002) 14.644 6.518 ( 4.777 2.758 -2.954) 6.257 6.631 ( 7.221 4.169 -3.489) 9.039 7.144 ( -18.117 -10.460 -21.565) 30.045 9.375 ( 3.189 1.841 14.576) 15.034 9.939 ( 1.970 1.137 -1.147) 2.548 10.768 ( -0.240 -0.138 4.128) 4.137 11.158 ( 7.297 4.213 2.477) 8.782 15.299 ( -26.422 -15.255 -1.488) 30.546 17.001 ( -0.643 -0.371 1.559) 1.726 ======================= Grid point 5 (6/213) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 14.630 8.447 1.307) 16.944 2.487 ( 18.577 10.726 0.491) 21.457 3.380 ( 2.494 1.440 0.310) 2.896 3.893 ( 7.542 4.355 -1.744) 8.882 4.732 ( 5.700 3.291 7.735) 10.156 4.821 ( 4.750 2.742 -9.090) 10.616 6.560 ( -15.855 -9.154 -24.245) 30.381 6.601 ( 2.387 1.378 -1.147) 2.986 6.907 ( 0.674 0.389 -3.576) 3.659 9.551 ( 11.305 6.527 14.588) 19.576 9.986 ( 2.021 1.167 -3.081) 3.865 10.751 ( -0.967 -0.558 4.908) 5.034 11.394 ( 12.613 7.282 3.005) 14.871 14.660 ( -28.364 -16.376 -1.065) 32.769 16.963 ( -2.191 -1.265 1.183) 2.793 ======================= Grid point 6 (7/213) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 10.277 5.933 1.703) 11.988 2.897 ( 16.731 9.660 1.897) 19.413 3.430 ( 1.772 1.023 -0.150) 2.052 3.987 ( 0.914 0.528 -0.135) 1.064 4.480 ( -11.602 -6.699 -7.652) 15.429 5.267 ( 17.652 10.191 3.418) 20.667 6.157 ( -16.403 -9.470 -25.778) 31.989 6.633 ( 0.535 0.309 0.083) 0.623 6.956 ( 1.988 1.148 1.946) 3.009 9.846 ( 12.798 7.389 10.467) 18.109 10.030 ( 1.701 0.982 -3.197) 3.752 10.743 ( 0.892 0.515 5.128) 5.231 11.704 ( 13.203 7.623 2.354) 15.426 14.016 ( -26.498 -15.299 -1.247) 30.623 16.913 ( -1.969 -1.137 0.935) 2.458 ======================= Grid point 7 (8/213) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 5.349 3.088 1.197) 6.291 3.249 ( 13.174 7.606 2.196) 15.370 3.461 ( 0.867 0.501 -0.269) 1.037 3.934 ( -5.266 -3.040 1.196) 6.197 4.272 ( -5.645 -3.259 -7.778) 10.148 5.570 ( 7.892 4.557 4.163) 10.019 5.860 ( -8.175 -4.720 -16.915) 19.371 6.636 ( -0.138 -0.080 0.360) 0.394 6.988 ( 0.824 0.476 1.661) 1.914 10.062 ( 0.996 0.575 -1.921) 2.239 10.078 ( 6.346 3.664 4.655) 8.681 10.812 ( 4.675 2.699 4.309) 6.907 11.962 ( 8.304 4.794 1.213) 9.665 13.486 ( -17.953 -10.365 -1.263) 20.769 16.878 ( -1.035 -0.598 0.548) 1.315 ======================= Grid point 8 (9/213) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 0.000 0.000 0.000) 0.000 3.436 ( -0.000 -0.000 -0.000) 0.000 3.471 ( -0.000 -0.000 -0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 -0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.145 ( 0.000 0.000 -0.000) 0.000 10.886 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 0.000 -0.000) 0.000 13.263 ( 0.000 0.000 -0.000) 0.000 16.866 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/213) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 12.073 20.912 0.000) 24.147 0.970 ( 13.957 24.174 0.000) 27.914 1.761 ( 24.472 42.387 0.000) 48.944 3.191 ( 1.229 2.128 0.000) 2.458 3.448 ( 6.984 12.097 0.000) 13.968 5.605 ( -3.897 -6.750 0.000) 7.794 6.098 ( 3.594 6.224 0.000) 7.187 6.232 ( 3.962 6.862 0.000) 7.923 7.997 ( -6.705 -11.613 0.000) 13.409 9.644 ( -5.616 -9.727 0.000) 11.232 9.876 ( 0.315 0.546 0.000) 0.631 10.733 ( 0.418 0.725 0.000) 0.837 11.106 ( -1.489 -2.579 0.000) 2.979 16.415 ( -7.990 -13.838 0.000) 15.979 16.806 ( 3.854 6.676 0.000) 7.709 ======================= Grid point 19 (11/213) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 18.983 15.825 -1.512) 24.761 1.450 ( 14.521 22.041 -1.514) 26.438 2.619 ( 28.837 33.402 1.743) 44.163 3.250 ( 1.993 4.148 0.736) 4.660 3.716 ( 10.300 10.362 -0.431) 14.616 5.431 ( -7.239 -8.287 -0.236) 11.006 6.253 ( 7.549 4.589 -2.000) 9.058 6.398 ( 5.142 9.684 -2.032) 11.151 7.713 ( -12.071 -11.865 -4.889) 17.618 9.442 ( -5.455 -8.765 4.138) 11.122 9.894 ( 0.733 1.423 1.122) 1.955 10.752 ( 0.701 0.810 1.043) 1.495 11.072 ( -0.441 0.486 0.327) 0.733 16.057 ( -15.687 -15.977 -1.996) 22.479 16.925 ( 3.843 2.131 1.788) 4.744 ======================= Grid point 20 (12/213) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 19.431 12.857 -0.851) 23.314 1.906 ( 14.493 18.532 -0.943) 23.545 3.266 ( 9.083 6.812 0.808) 11.382 3.445 ( 15.180 23.955 0.593) 28.366 4.022 ( 15.262 9.224 0.969) 17.859 5.194 ( -9.837 -9.203 -1.433) 13.547 6.425 ( 7.478 2.537 -2.714) 8.350 6.583 ( 5.212 7.665 -2.311) 9.553 7.349 ( -16.413 -11.008 -14.404) 24.454 9.330 ( 0.837 -3.526 10.120) 10.749 9.931 ( 1.281 2.416 -0.050) 2.735 10.765 ( 0.171 -0.089 2.621) 2.628 11.128 ( 3.513 6.502 1.533) 7.548 15.562 ( -21.838 -17.227 -1.454) 27.853 16.968 ( 1.637 -2.734 1.418) 3.488 ======================= Grid point 21 (13/213) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 16.817 10.795 0.360) 19.987 2.325 ( 14.684 14.817 0.147) 20.861 3.381 ( 2.108 5.062 0.561) 5.512 3.859 ( 6.328 14.266 -1.696) 15.698 4.487 ( 23.949 13.066 4.471) 27.645 4.915 ( -11.270 -9.247 -4.565) 15.277 6.544 ( 4.130 -0.076 -2.347) 4.751 6.673 ( -2.505 -1.526 -9.827) 10.255 6.976 ( -12.029 -5.826 -13.061) 18.688 9.420 ( 9.314 3.392 13.070) 16.404 9.983 ( 1.256 3.227 -2.017) 4.008 10.753 ( -0.654 -1.416 3.897) 4.198 11.332 ( 8.086 13.793 2.555) 16.191 14.968 ( -26.094 -17.593 -0.979) 31.486 16.938 ( 0.348 -5.875 1.108) 5.988 ======================= Grid point 22 (14/213) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 12.022 8.416 1.189) 14.723 2.720 ( 15.483 11.794 1.309) 19.507 3.461 ( 0.257 6.810 0.247) 6.819 4.009 ( 0.150 6.829 -0.706) 6.867 4.613 ( -11.676 -7.905 -5.188) 15.025 5.031 ( 21.502 10.899 2.268) 24.213 6.355 ( -16.976 -10.009 -25.456) 32.193 6.612 ( 1.276 -0.621 -1.061) 1.772 6.909 ( 2.397 -1.763 2.515) 3.896 9.688 ( 13.786 7.471 11.253) 19.300 10.036 ( 0.733 3.764 -2.899) 4.807 10.724 ( -0.106 -2.204 4.561) 5.067 11.659 ( 9.290 19.570 2.503) 21.808 14.326 ( -27.312 -16.724 -1.002) 32.042 16.879 ( 0.699 -7.178 0.931) 7.271 ======================= Grid point 23 (15/213) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 7.218 5.224 1.176) 8.987 3.088 ( 14.370 9.228 1.949) 17.189 3.524 ( -1.830 8.355 0.209) 8.555 4.013 ( -4.847 1.722 1.768) 5.438 4.362 ( -8.748 -4.659 -8.910) 13.327 5.433 ( 14.223 6.282 3.785) 16.003 5.990 ( -13.598 -7.092 -21.393) 26.322 6.616 ( 0.910 -2.125 0.280) 2.329 6.932 ( 3.240 -3.916 2.990) 5.897 9.985 ( 10.406 6.652 6.594) 14.001 10.080 ( -0.144 3.946 -2.365) 4.603 10.730 ( 3.863 -1.939 4.672) 6.365 12.004 ( 4.899 22.474 1.735) 23.067 13.722 ( -23.326 -13.991 -1.286) 27.230 16.828 ( 1.949 -7.401 0.681) 7.683 ======================= Grid point 24 (16/213) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 2.381 1.868 0.481) 3.064 3.370 ( 8.128 4.572 0.919) 9.370 3.564 ( -3.596 9.139 0.547) 9.836 3.895 ( -6.860 -0.581 0.715) 6.922 4.240 ( -3.038 0.067 -4.366) 5.320 5.633 ( 3.402 2.563 3.665) 5.619 5.782 ( -3.112 -3.858 -10.093) 11.245 6.609 ( 1.181 -2.564 0.220) 2.832 6.942 ( 3.175 -5.031 1.175) 6.064 10.107 ( -1.322 3.683 -0.858) 4.007 10.142 ( 2.264 2.953 1.775) 4.123 10.805 ( 5.876 -3.302 2.419) 7.161 12.239 ( -5.059 22.545 0.692) 23.116 13.303 ( -9.692 -7.877 -0.814) 12.516 16.801 ( 3.317 -7.106 0.257) 7.847 ======================= Grid point 35 (17/213) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 11.575 20.049 0.000) 23.151 1.876 ( 11.706 20.275 0.000) 23.412 3.207 ( 9.642 16.700 0.000) 19.283 3.455 ( 13.529 23.433 0.000) 27.058 3.926 ( 6.102 10.568 0.000) 12.203 5.234 ( -6.513 -11.280 0.000) 13.025 6.366 ( 3.630 6.287 0.000) 7.260 6.579 ( 4.361 7.554 0.000) 8.722 7.444 ( -8.654 -14.989 0.000) 17.308 9.299 ( -2.382 -4.125 0.000) 4.763 9.934 ( 1.485 2.573 0.000) 2.971 10.763 ( 0.050 0.087 0.000) 0.100 11.134 ( 3.717 6.438 0.000) 7.434 15.674 ( -12.791 -22.154 0.000) 25.582 16.931 ( -0.880 -1.524 0.000) 1.760 ======================= Grid point 36 (18/213) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 13.930 16.034 -0.088) 21.240 2.260 ( 11.318 16.640 0.041) 20.124 3.389 ( 3.872 6.859 0.300) 7.882 3.967 ( 4.389 24.750 -1.617) 25.188 4.211 ( 20.685 10.471 2.480) 23.316 4.987 ( -8.687 -11.285 -1.388) 14.309 6.480 ( 3.689 2.319 -1.075) 4.488 6.678 ( 1.085 1.690 -2.407) 3.135 7.117 ( -12.460 -12.500 -6.919) 18.957 9.318 ( 5.434 3.317 5.524) 8.429 9.995 ( 1.717 3.858 -0.626) 4.269 10.751 ( -0.772 -1.493 1.472) 2.234 11.347 ( 8.153 15.719 1.026) 17.738 15.178 ( -19.133 -21.119 -0.448) 28.501 16.869 ( -1.057 -6.879 0.494) 6.978 ======================= Grid point 37 (19/213) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 12.420 12.101 0.330) 17.344 2.609 ( 11.881 13.611 0.756) 18.083 3.522 ( 2.459 8.834 0.360) 9.177 4.130 ( -2.698 12.287 -0.591) 12.593 4.710 ( -6.752 -6.654 0.802) 9.513 4.758 ( 19.995 9.416 -2.095) 22.200 6.490 ( -5.505 -5.416 -10.004) 12.638 6.617 ( -5.183 -2.487 -10.094) 11.616 6.858 ( -2.277 -7.703 4.372) 9.145 9.539 ( 11.944 8.860 7.559) 16.682 10.065 ( 1.226 4.821 -1.597) 5.225 10.709 ( -1.187 -2.925 2.741) 4.181 11.719 ( 10.604 24.621 1.646) 26.858 14.601 ( -23.701 -18.805 -0.575) 30.260 16.772 ( 0.251 -10.444 0.599) 10.464 ======================= Grid point 38 (20/213) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 8.191 7.650 0.503) 11.219 2.952 ( 12.934 11.534 1.450) 17.391 3.648 ( 0.177 11.469 0.398) 11.477 4.149 ( -6.287 6.565 3.070) 9.594 4.462 ( -8.741 -6.678 -8.336) 13.801 5.215 ( 18.062 7.263 2.631) 19.644 6.181 ( -16.151 -7.167 -21.441) 27.784 6.571 ( 0.601 -3.632 0.030) 3.682 6.812 ( 3.512 -7.676 6.167) 10.454 9.861 ( 12.719 9.910 5.884) 17.164 10.130 ( 0.251 5.333 -1.800) 5.634 10.665 ( 0.379 -3.588 3.612) 5.105 12.168 ( 8.242 30.282 1.532) 31.421 14.003 ( -24.960 -15.005 -0.869) 29.136 16.680 ( 2.641 -12.538 0.551) 12.825 ======================= Grid point 39 (21/213) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 3.989 3.666 0.315) 5.427 3.268 ( 10.808 8.828 1.295) 14.015 3.749 ( -3.259 13.551 0.468) 13.945 4.034 ( -9.502 -0.175 3.730) 10.209 4.311 ( -4.824 -0.078 -7.904) 9.260 5.519 ( 11.644 2.251 3.576) 12.387 5.876 ( -11.613 -3.981 -15.031) 19.407 6.547 ( 1.597 -4.738 0.659) 5.043 6.801 ( 4.605 -8.741 3.317) 10.422 10.119 ( 6.001 6.781 2.419) 9.373 10.177 ( -1.086 5.335 -1.234) 5.583 10.670 ( 4.559 -3.796 3.468) 6.872 12.575 ( 1.511 32.838 1.120) 32.892 13.470 ( -20.747 -10.168 -1.098) 23.131 16.618 ( 5.314 -13.526 0.340) 14.536 ======================= Grid point 40 (22/213) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -0.325 0.562 0.000) 0.649 3.434 ( -0.927 1.606 -0.000) 1.855 3.792 ( -7.547 13.071 0.000) 15.094 3.918 ( -1.619 2.803 0.000) 3.237 4.271 ( -1.626 2.816 0.000) 3.252 5.673 ( 3.320 -5.751 0.000) 6.640 5.711 ( -2.384 4.128 -0.000) 4.767 6.536 ( 2.627 -4.550 -0.000) 5.254 6.797 ( 5.197 -9.002 -0.000) 10.395 10.195 ( -2.725 4.720 -0.000) 5.450 10.200 ( -1.619 2.804 0.000) 3.238 10.705 ( 3.452 -5.979 -0.000) 6.904 12.811 ( -18.597 32.212 -0.000) 37.195 13.174 ( 2.431 -4.210 0.000) 4.862 16.596 ( 7.612 -13.184 -0.000) 15.224 ======================= Grid point 53 (23/213) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 9.100 15.762 0.000) 18.200 2.575 ( 8.717 15.099 0.000) 17.435 3.544 ( 4.930 8.539 0.000) 9.860 4.269 ( 3.819 6.615 0.000) 7.638 4.565 ( 13.135 22.750 0.000) 26.269 4.750 ( -6.932 -12.007 0.000) 13.865 6.494 ( -0.869 -1.505 0.000) 1.738 6.670 ( -1.105 -1.914 0.000) 2.210 6.838 ( -8.587 -14.873 0.000) 17.174 9.476 ( 6.963 12.060 0.000) 13.925 10.080 ( 2.566 4.445 0.000) 5.132 10.705 ( -1.695 -2.936 0.000) 3.391 11.754 ( 14.090 24.405 0.000) 28.181 14.722 ( -13.891 -24.060 0.000) 27.782 16.708 ( -5.069 -8.780 0.000) 10.138 ======================= Grid point 54 (24/213) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 7.553 10.236 0.062) 12.721 2.878 ( 9.959 13.496 0.576) 16.782 3.723 ( 4.192 10.961 0.143) 11.736 4.338 ( -4.621 8.078 3.943) 10.107 4.512 ( -6.382 -9.974 -6.289) 13.407 4.995 ( 15.537 11.188 1.449) 19.200 6.374 ( -11.430 -5.201 -13.369) 18.342 6.543 ( -4.444 -7.064 -1.412) 8.464 6.667 ( 2.734 -9.279 8.732) 13.031 9.769 ( 10.829 13.521 2.380) 17.485 10.166 ( 1.752 5.029 -0.641) 5.364 10.640 ( -1.619 -3.865 1.365) 4.407 12.285 ( 13.919 30.388 0.588) 33.429 14.232 ( -18.043 -17.339 -0.283) 25.026 16.533 ( -2.167 -13.180 0.209) 13.359 ======================= Grid point 55 (25/213) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 4.472 5.285 -0.008) 6.923 3.185 ( 10.329 11.713 0.987) 15.648 3.899 ( 1.879 12.769 -0.313) 12.910 4.213 ( -10.955 -2.004 7.435) 13.391 4.398 ( -4.023 2.059 -9.600) 10.611 5.316 ( 13.234 2.758 1.773) 13.634 6.077 ( -14.808 -3.035 -15.111) 21.374 6.461 ( 1.703 -7.407 3.604) 8.412 6.629 ( 3.566 -9.630 4.414) 11.178 10.076 ( 8.855 11.145 1.597) 14.324 10.237 ( 0.454 5.115 -0.771) 5.192 10.586 ( 0.570 -4.059 2.497) 4.800 12.783 ( 8.617 26.473 0.595) 27.846 13.788 ( -20.059 -2.724 -0.505) 20.249 16.380 ( 2.575 -17.389 0.218) 17.580 ======================= Grid point 56 (26/213) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 1.325 1.868 -0.035) 2.290 3.437 ( 5.530 7.802 0.596) 9.582 3.980 ( -4.141 -0.471 -2.619) 4.923 4.065 ( -6.692 12.967 5.302) 15.526 4.349 ( -4.178 3.226 -3.859) 6.539 5.506 ( 8.928 -4.003 1.615) 9.917 5.854 ( -9.296 2.381 -6.719) 11.714 6.435 ( 2.861 -6.085 1.303) 6.849 6.602 ( 5.236 -10.690 1.517) 12.000 10.251 ( 0.934 6.169 0.223) 6.243 10.280 ( -1.327 4.727 -0.576) 4.943 10.588 ( 3.683 -4.209 1.788) 5.871 13.051 ( 4.839 2.721 0.195) 5.555 13.540 ( -22.195 27.986 -0.261) 35.720 16.287 ( 8.320 -19.518 0.089) 21.218 ======================= Grid point 70 (27/213) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 3.718 6.439 0.000) 7.436 3.153 ( 7.968 13.801 0.000) 15.936 3.944 ( 6.001 10.394 0.000) 12.002 4.304 ( -5.325 -9.223 0.000) 10.650 4.464 ( 1.821 3.154 0.000) 3.642 5.192 ( 4.829 8.364 0.000) 9.658 6.295 ( -3.214 -5.567 0.000) 6.428 6.312 ( -5.907 -10.232 0.000) 11.814 6.543 ( -2.724 -4.719 0.000) 5.449 10.052 ( 8.061 13.963 0.000) 16.123 10.259 ( 2.371 4.106 0.000) 4.742 10.563 ( -2.074 -3.593 0.000) 4.148 12.835 ( 11.962 20.719 0.000) 23.924 13.974 ( -3.148 -5.452 0.000) 6.296 16.255 ( -8.250 -14.289 0.000) 16.500 ======================= Grid point 71 (28/213) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 1.827 2.749 -0.062) 3.302 3.418 ( 7.360 11.419 0.364) 13.591 4.026 ( -4.098 -4.716 -0.727) 6.290 4.231 ( 1.193 9.461 2.641) 9.895 4.477 ( -4.396 3.885 -2.612) 6.422 5.326 ( 6.481 -1.452 0.592) 6.668 6.065 ( -11.881 1.830 -7.982) 14.429 6.292 ( 6.097 -8.391 6.164) 12.065 6.451 ( -0.349 -8.234 0.051) 8.242 10.287 ( 4.079 9.283 -0.183) 10.141 10.328 ( 0.916 3.842 -0.398) 3.969 10.509 ( 0.516 -3.509 1.366) 3.801 13.007 ( 0.046 -2.290 -0.025) 2.291 14.085 ( -2.324 30.042 -0.009) 30.131 15.982 ( -0.808 -22.456 0.038) 22.470 ======================= Grid point 72 (29/213) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -0.356 0.616 0.000) 0.712 3.573 ( -3.174 5.497 -0.000) 6.348 3.916 ( 2.129 -3.689 0.000) 4.259 4.349 ( -6.752 11.695 -0.000) 13.504 4.417 ( -2.206 3.821 0.000) 4.412 5.378 ( 4.291 -7.432 -0.000) 8.582 5.965 ( -4.617 7.997 -0.000) 9.234 6.320 ( 3.070 -5.318 -0.000) 6.140 6.390 ( 5.687 -9.850 -0.000) 11.373 10.358 ( -2.538 4.395 -0.002) 5.075 10.359 ( -1.701 2.946 0.002) 3.402 10.508 ( 2.102 -3.642 -0.000) 4.205 12.970 ( 2.813 -4.873 0.000) 5.626 14.256 ( -20.785 36.001 -0.000) 41.570 15.845 ( 13.773 -23.856 -0.000) 27.546 ======================= Grid point 88 (30/213) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 0.464 0.804 0.000) 0.928 3.636 ( 5.701 9.875 0.000) 11.403 3.869 ( -5.047 -8.741 0.000) 10.093 4.428 ( 4.517 7.824 0.000) 9.034 4.516 ( -0.383 -0.664 0.000) 0.766 5.283 ( -1.077 -1.865 0.000) 2.154 6.126 ( 1.019 1.765 0.000) 2.038 6.182 ( 0.192 0.332 0.000) 0.384 6.294 ( -4.251 -7.363 0.000) 8.502 10.389 ( 1.362 2.359 0.000) 2.724 10.422 ( 1.869 3.237 0.000) 3.737 10.452 ( -1.046 -1.812 0.000) 2.093 12.918 ( -2.002 -3.468 0.000) 4.004 14.737 ( 17.340 30.034 0.000) 34.680 15.492 ( -14.277 -24.728 0.000) 28.553 ======================= Grid point 271 (31/213) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.000 -0.000 29.975) 29.975 0.626 ( 0.000 0.000 29.975) 29.975 0.862 ( -0.000 -0.000 42.253) 42.253 3.112 ( 0.000 0.000 -3.782) 3.782 3.112 ( 0.000 0.000 -3.782) 3.782 5.652 ( -0.000 -0.000 -9.065) 9.065 6.227 ( 0.000 0.000 12.288) 12.288 6.227 ( 0.000 -0.000 12.288) 12.288 9.668 ( -0.000 -0.000 -18.386) 18.386 9.668 ( 0.000 0.000 -18.386) 18.386 10.689 ( 0.000 0.000 -3.082) 3.082 11.021 ( -0.000 0.000 3.031) 3.031 11.283 ( 0.000 0.000 8.716) 8.716 11.283 ( 0.000 0.000 8.716) 8.716 17.666 ( -0.000 0.000 0.417) 0.417 ======================= Grid point 272 (32/213) ======================= q-point: ( 0.06 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 7.684 4.436 24.094) 25.675 0.735 ( 12.095 6.983 21.906) 25.979 1.397 ( 34.886 20.142 25.489) 47.670 3.140 ( 1.657 0.956 -3.121) 3.661 3.225 ( 9.442 5.451 -3.038) 11.318 5.515 ( -4.226 -2.440 -11.911) 12.872 6.072 ( -4.240 -2.448 6.793) 8.373 6.212 ( 0.975 0.563 9.548) 9.614 8.350 ( -32.752 -18.909 7.516) 38.559 9.706 ( 1.541 0.890 -16.639) 16.734 9.888 ( -4.257 -2.458 10.101) 11.233 10.710 ( 0.934 0.539 -1.583) 1.916 11.249 ( -2.490 -1.437 8.679) 9.143 15.255 ( 76.938 44.420 -69.712) 112.926 17.246 ( -22.075 -12.745 12.473) 28.378 ======================= Grid point 273 (33/213) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 18.892 10.907 6.699) 22.820 1.109 ( 18.880 10.901 11.932) 24.853 2.248 ( 37.087 21.412 15.708) 45.614 3.186 ( 2.291 1.323 -2.587) 3.700 3.502 ( 13.625 7.867 -1.325) 15.789 5.446 ( -4.040 -2.333 -10.677) 11.651 6.068 ( 4.142 2.391 -4.912) 6.856 6.271 ( 4.015 2.318 6.604) 8.069 7.741 ( -25.204 -14.552 -14.253) 32.406 9.739 ( 1.302 0.752 -14.916) 14.991 9.797 ( -3.801 -2.194 14.438) 15.091 10.745 ( 2.078 1.200 -0.254) 2.413 11.187 ( -2.367 -1.367 8.504) 8.932 16.075 ( 5.878 3.394 -16.595) 17.929 16.908 ( -4.692 -2.709 0.422) 5.434 ======================= Grid point 274 (34/213) ======================= q-point: ( 0.19 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 21.510 12.419 -0.736) 24.848 1.567 ( 20.106 11.608 7.215) 24.311 3.053 ( 31.132 17.974 8.891) 37.031 3.243 ( 2.545 1.469 -2.391) 3.788 3.843 ( 16.318 9.421 1.110) 18.875 5.280 ( -10.197 -5.887 -5.882) 13.162 6.255 ( 10.901 6.294 -10.608) 16.462 6.387 ( 5.697 3.289 4.274) 7.845 7.141 ( -26.153 -15.100 -26.327) 40.064 9.726 ( -1.787 -1.032 18.684) 18.797 9.770 ( 1.556 0.899 -12.979) 13.103 10.797 ( 2.076 1.198 0.987) 2.592 11.166 ( 1.093 0.631 7.829) 7.930 15.842 ( -19.650 -11.345 0.465) 22.694 16.948 ( 3.488 2.014 -4.902) 6.344 ======================= Grid point 275 (35/213) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 20.819 12.020 -2.799) 24.202 2.016 ( 18.370 10.606 5.325) 21.869 3.301 ( 2.437 1.407 -2.579) 3.817 3.615 ( 16.758 9.675 1.732) 19.428 4.301 ( 23.444 13.535 5.216) 27.569 4.995 ( -13.896 -8.023 -5.467) 16.952 6.434 ( -8.187 -4.727 -18.454) 20.735 6.518 ( 5.212 3.009 2.947) 6.702 6.645 ( -4.315 -2.491 -22.245) 22.796 9.734 ( 2.757 1.592 18.724) 18.993 9.815 ( 2.381 1.375 -10.276) 10.637 10.828 ( 0.382 0.221 1.571) 1.632 11.255 ( 6.735 3.888 6.254) 9.979 15.302 ( -26.056 -15.044 1.733) 30.137 16.986 ( -0.247 -0.143 -2.912) 2.926 ======================= Grid point 276 (36/213) ======================= q-point: ( 0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 14.739 8.510 4.569) 17.622 2.460 ( 19.476 11.244 -2.867) 22.671 3.353 ( 2.034 1.174 -3.029) 3.833 3.879 ( 7.614 4.396 -1.077) 8.857 4.619 ( -13.429 -7.753 -7.550) 17.246 4.900 ( 21.897 12.642 7.274) 26.310 6.011 ( -17.931 -10.352 -27.290) 34.256 6.615 ( 3.092 1.785 2.503) 4.360 6.802 ( 7.624 4.402 -7.760) 11.735 9.855 ( 7.430 4.290 14.851) 17.151 9.880 ( 3.183 1.838 -6.931) 7.845 10.814 ( -1.363 -0.787 0.804) 1.767 11.471 ( 11.476 6.626 4.113) 13.876 14.665 ( -28.504 -16.457 1.532) 32.949 16.953 ( -2.161 -1.248 -2.159) 3.300 ======================= Grid point 277 (37/213) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 9.934 5.736 4.015) 12.154 2.888 ( 17.269 9.970 -2.161) 20.057 3.394 ( 1.497 0.864 -3.463) 3.870 4.011 ( 4.403 2.542 -0.061) 5.084 4.274 ( -14.477 -8.359 -9.097) 19.032 5.387 ( 18.252 10.538 7.925) 22.516 5.687 ( -9.609 -5.548 -20.066) 22.929 6.660 ( 0.912 0.527 2.504) 2.717 6.929 ( 3.366 1.943 -4.467) 5.921 9.957 ( 3.368 1.945 -3.723) 5.384 10.046 ( 7.985 4.610 9.579) 13.296 10.783 ( -0.824 -0.475 -1.993) 2.208 11.752 ( 12.001 6.929 2.226) 14.035 14.017 ( -26.623 -15.371 1.327) 30.770 16.901 ( -2.145 -1.239 -2.094) 3.244 ======================= Grid point 278 (38/213) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 4.419 2.551 3.099) 5.970 3.238 ( 12.196 7.041 -1.954) 14.217 3.423 ( 1.007 0.581 -3.489) 3.678 3.969 ( -10.655 -6.152 -3.857) 12.894 4.114 ( 4.173 2.409 -2.206) 5.300 5.555 ( -0.904 -0.522 -8.096) 8.163 5.741 ( 11.338 6.546 7.690) 15.184 6.666 ( -0.256 -0.148 2.485) 2.503 6.968 ( 0.246 0.142 -3.496) 3.507 10.030 ( 2.796 1.614 -1.124) 3.418 10.172 ( 2.182 1.260 4.870) 5.483 10.789 ( 0.879 0.507 -6.965) 7.039 11.984 ( 7.253 4.187 0.894) 8.422 13.492 ( -17.144 -9.898 1.921) 19.889 16.859 ( -1.392 -0.804 -2.304) 2.809 ======================= Grid point 279 (39/213) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( -1.113 -0.643 1.840) 2.244 3.365 ( -3.315 -1.914 -5.608) 6.789 3.439 ( 0.354 0.204 -3.044) 3.071 3.837 ( 1.130 0.652 -1.185) 1.762 4.228 ( 5.535 3.195 1.768) 6.631 5.586 ( 1.759 1.015 -1.171) 2.344 5.964 ( 9.409 5.433 13.569) 17.383 6.657 ( -0.374 -0.216 2.223) 2.265 6.951 ( -1.454 -0.840 -4.248) 4.567 10.082 ( 1.579 0.912 0.748) 1.971 10.146 ( -4.328 -2.499 -0.738) 5.052 10.768 ( -3.481 -2.010 -10.725) 11.454 12.061 ( -0.948 -0.547 -0.085) 1.098 13.297 ( 1.247 0.720 3.208) 3.516 16.838 ( -0.450 -0.260 -2.666) 2.717 ======================= Grid point 281 (40/213) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -5.923 -3.419 1.023) 6.915 3.151 ( -12.741 -7.356 -6.384) 16.037 3.435 ( -0.777 -0.449 -2.710) 2.855 3.942 ( 5.240 3.025 0.334) 6.060 4.366 ( 6.349 3.665 1.709) 7.527 5.537 ( -6.999 -4.041 1.056) 8.150 6.253 ( 15.877 9.167 21.209) 28.035 6.652 ( 0.034 0.020 1.941) 1.942 6.908 ( -2.150 -1.241 -5.799) 6.308 9.959 ( -11.990 -6.922 -8.379) 16.183 10.099 ( -0.130 -0.075 1.627) 1.634 10.664 ( -3.867 -2.232 -8.568) 9.661 11.940 ( -9.121 -5.266 -0.839) 10.566 13.535 ( 17.945 10.361 3.323) 20.986 16.840 ( 0.642 0.371 -3.067) 3.156 ======================= Grid point 282 (41/213) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -9.972 -5.758 1.218) 11.579 2.824 ( -15.276 -8.819 -4.496) 18.203 3.402 ( -2.041 -1.178 -2.816) 3.672 4.021 ( 1.042 0.602 2.211) 2.518 4.514 ( 5.945 3.432 -3.779) 7.836 5.274 ( -14.662 -8.465 3.647) 17.318 6.642 ( 15.013 8.668 18.999) 25.719 6.657 ( 0.234 0.135 2.300) 2.316 6.870 ( 0.349 0.201 -4.285) 4.304 9.628 ( -15.051 -8.690 -11.001) 20.569 10.072 ( -2.359 -1.362 0.725) 2.819 10.623 ( 0.053 0.031 -5.789) 5.789 11.669 ( -13.465 -7.774 -0.978) 15.579 14.060 ( 26.223 15.140 2.842) 30.413 16.867 ( 1.685 0.973 -3.408) 3.925 ======================= Grid point 283 (42/213) ======================= q-point: (-0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -13.370 -7.719 2.566) 15.650 2.450 ( -17.027 -9.831 -2.600) 19.833 3.344 ( -2.957 -1.707 -3.235) 4.703 3.970 ( -6.073 -3.506 5.759) 9.074 4.528 ( -9.776 -5.644 -11.661) 16.230 4.999 ( -3.217 -1.857 7.300) 8.191 6.656 ( -0.482 -0.279 4.059) 4.097 6.732 ( -3.323 -1.918 -5.265) 6.515 7.076 ( 12.359 7.136 8.726) 16.728 9.343 ( -8.095 -4.674 -3.902) 10.129 9.986 ( -5.085 -2.936 -3.216) 6.694 10.645 ( 1.457 0.841 -5.110) 5.380 11.368 ( -11.473 -6.624 0.523) 13.258 14.703 ( 28.646 16.539 2.962) 33.210 16.910 ( 1.741 1.005 -3.876) 4.366 ======================= Grid point 284 (43/213) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -15.949 -9.208 5.203) 19.137 2.036 ( -18.813 -10.862 -1.138) 21.753 3.270 ( -3.268 -1.887 -3.771) 5.334 3.667 ( -22.155 -12.791 7.342) 26.615 4.157 ( -16.005 -9.240 -4.948) 19.132 5.110 ( 8.632 4.984 -0.208) 9.969 6.595 ( -8.667 -5.004 -6.901) 12.157 6.625 ( -2.326 -1.343 7.355) 7.830 7.313 ( 8.873 5.123 -7.116) 12.475 9.291 ( 3.410 1.969 8.266) 9.156 9.846 ( -6.565 -3.790 -9.956) 12.514 10.678 ( 1.258 0.726 -4.466) 4.696 11.174 ( -4.956 -2.861 3.769) 6.852 15.357 ( 27.508 15.882 4.068) 32.023 16.928 ( -0.798 -0.461 -5.401) 5.479 ======================= Grid point 285 (44/213) ======================= q-point: (-0.19 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -20.365 -11.758 0.830) 23.530 1.625 ( -17.352 -10.018 9.342) 22.107 2.982 ( -34.712 -20.041 8.105) 40.893 3.198 ( -2.892 -1.670 -4.238) 5.396 3.841 ( -12.760 -7.367 -0.211) 14.736 5.314 ( 8.153 4.707 -4.217) 10.316 6.347 ( -11.682 -6.745 -8.994) 16.213 6.546 ( -4.447 -2.567 11.081) 12.213 7.542 ( 11.824 6.826 -13.698) 19.340 9.452 ( 9.170 5.294 13.266) 16.973 9.710 ( -4.710 -2.719 -16.134) 17.026 10.701 ( 0.760 0.439 -2.974) 3.101 11.131 ( 0.785 0.453 6.643) 6.704 15.953 ( 23.225 13.409 5.898) 27.459 16.847 ( -6.495 -3.750 -9.969) 12.475 ======================= Grid point 286 (45/213) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -19.570 -11.299 5.984) 23.376 1.223 ( -17.158 -9.906 15.273) 25.016 2.134 ( -37.541 -21.674 13.719) 45.468 3.141 ( -1.918 -1.108 -4.453) 4.974 3.538 ( -13.312 -7.685 0.048) 15.371 5.457 ( 3.837 2.215 -9.595) 10.569 6.119 ( -6.725 -3.882 -6.569) 10.171 6.429 ( -5.436 -3.138 13.543) 14.927 7.874 ( 16.926 9.772 -7.560) 20.955 9.639 ( -1.405 -0.811 -19.309) 19.377 9.669 ( 8.979 5.184 10.446) 14.717 10.713 ( 0.151 0.087 -1.445) 1.456 11.184 ( 3.208 1.852 8.105) 8.912 16.238 ( -10.391 -5.999 -13.680) 18.196 16.764 ( 9.395 5.424 -1.733) 10.986 ======================= Grid point 287 (46/213) ======================= q-point: (-0.06 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -12.532 -7.235 19.107) 23.969 0.852 ( -14.175 -8.184 23.340) 28.507 1.310 ( -31.525 -18.201 26.327) 44.924 3.112 ( -0.621 -0.359 -4.292) 4.352 3.253 ( -10.373 -5.989 -1.865) 12.122 5.518 ( 3.631 2.096 -12.047) 12.755 6.065 ( 2.131 1.231 3.454) 4.241 6.309 ( -4.614 -2.664 13.875) 14.862 8.377 ( 31.700 18.302 11.739) 38.440 9.636 ( 0.882 0.509 -19.647) 19.674 9.850 ( 6.698 3.867 7.890) 11.048 10.708 ( -0.467 -0.270 -1.559) 1.650 11.255 ( 2.445 1.411 8.619) 9.069 15.296 ( -80.244 -46.329 -69.705) 115.949 17.222 ( 24.919 14.387 13.100) 31.616 ======================= Grid point 289 (47/213) ======================= q-point: ( 0.06 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 5.836 17.676 12.680) 22.523 1.067 ( 6.651 21.564 12.431) 25.764 1.964 ( 25.740 34.731 17.206) 46.528 3.154 ( 2.915 1.372 -3.629) 4.853 3.436 ( 5.898 13.486 -0.977) 14.752 5.472 ( -1.961 -2.534 -11.762) 12.190 6.067 ( 0.427 3.736 -3.088) 4.865 6.320 ( -2.968 7.501 10.396) 13.159 7.942 ( -15.788 -19.669 -7.219) 26.234 9.684 ( 4.252 -1.235 -16.823) 17.396 9.770 ( 0.064 -8.196 10.962) 13.688 10.721 ( 1.191 0.334 -1.157) 1.694 11.207 ( -1.617 -2.677 8.528) 9.083 16.061 ( 8.356 25.421 -27.629) 38.464 16.903 ( -4.141 -16.407 5.280) 17.726 ======================= Grid point 290 (48/213) ======================= q-point: ( 0.12 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 14.955 16.311 5.550) 22.814 1.465 ( 12.877 21.247 4.888) 25.321 2.765 ( 27.650 28.685 10.796) 41.279 3.231 ( 3.128 4.004 -2.477) 5.653 3.705 ( 10.490 11.303 -0.040) 15.420 5.360 ( -6.294 -6.553 -6.753) 11.321 6.183 ( 5.564 8.736 -7.756) 12.939 6.384 ( 1.193 7.686 4.818) 9.149 7.428 ( -22.907 -15.266 -21.240) 34.769 9.690 ( 0.881 -7.632 17.077) 18.725 9.745 ( 2.613 0.637 -14.267) 14.518 10.758 ( 2.666 0.050 -0.414) 2.698 11.171 ( -0.310 0.090 8.099) 8.106 16.034 ( -14.451 -9.488 -0.523) 17.295 16.870 ( 5.714 -0.255 -6.415) 8.594 ======================= Grid point 291 (49/213) ======================= q-point: ( 0.19 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 18.597 13.350 1.762) 22.960 1.905 ( 14.223 18.754 2.248) 23.644 3.268 ( 5.618 4.126 -1.489) 7.128 3.495 ( 14.964 22.467 3.450) 27.214 4.051 ( 18.480 10.908 3.171) 21.692 5.128 ( -10.965 -8.999 -5.010) 15.044 6.394 ( 8.008 6.867 -5.119) 11.725 6.486 ( 1.256 3.888 -2.318) 4.697 6.889 ( -22.547 -7.655 -27.448) 36.336 9.660 ( 3.739 -4.943 19.459) 20.422 9.801 ( 2.028 2.723 -11.791) 12.270 10.800 ( 2.174 -0.858 0.688) 2.436 11.222 ( 3.580 5.552 6.822) 9.497 15.570 ( -22.132 -15.984 2.141) 27.384 16.940 ( 2.996 -2.881 -4.067) 5.816 ======================= Grid point 292 (50/213) ======================= q-point: ( 0.25 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 18.163 10.574 1.299) 21.057 2.321 ( 13.922 15.581 0.684) 20.907 3.363 ( 1.618 5.270 -2.381) 6.005 3.843 ( 5.609 12.424 -1.216) 13.686 4.565 ( 22.677 11.857 4.900) 26.055 4.826 ( -11.348 -7.847 -4.292) 14.449 6.243 ( -19.479 -10.011 -26.243) 34.182 6.558 ( 5.110 2.072 1.892) 5.830 6.769 ( 2.411 8.285 -9.610) 12.915 9.734 ( 8.231 -0.963 16.518) 18.480 9.871 ( 1.918 4.367 -8.324) 9.594 10.806 ( 0.330 -2.311 0.971) 2.528 11.413 ( 7.697 12.572 4.889) 15.531 14.978 ( -26.422 -17.250 1.890) 31.611 16.923 ( 0.832 -6.062 -2.541) 6.625 ======================= Grid point 293 (51/213) ======================= q-point: ( 0.31 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 13.138 7.690 3.157) 15.547 2.710 ( 15.050 12.281 -1.574) 19.488 3.438 ( -0.370 7.563 -2.557) 7.992 4.000 ( 2.241 7.284 -2.103) 7.906 4.449 ( -14.836 -8.283 -7.380) 18.525 5.140 ( 22.014 10.563 7.268) 25.475 5.849 ( -15.267 -5.673 -23.235) 28.375 6.629 ( 2.437 -0.383 2.399) 3.441 6.887 ( 3.393 2.807 -4.624) 6.386 9.910 ( 10.111 2.055 9.418) 13.970 9.955 ( 2.525 5.183 -3.403) 6.695 10.772 ( -0.505 -3.312 -0.439) 3.379 11.718 ( 8.493 18.615 3.042) 20.686 14.331 ( -27.715 -16.679 1.480) 32.381 16.866 ( 0.790 -7.347 -2.115) 7.686 ======================= Grid point 294 (52/213) ======================= q-point: ( 0.38 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 7.106 4.568 3.549) 9.163 3.073 ( 14.025 8.286 -2.527) 16.485 3.502 ( -2.316 9.683 -2.413) 10.245 4.094 ( 1.711 5.406 0.323) 5.680 4.125 ( -13.328 -6.239 -8.330) 16.910 5.554 ( 14.546 6.138 7.785) 17.603 5.626 ( -5.307 -0.849 -14.051) 15.044 6.645 ( 1.117 -2.087 2.487) 3.433 6.936 ( 1.861 -1.882 -2.586) 3.700 10.027 ( 1.640 4.742 -2.411) 5.567 10.110 ( 7.098 2.377 6.007) 9.598 10.742 ( 1.469 -3.612 -4.182) 5.718 12.040 ( 3.905 22.031 1.700) 22.439 13.723 ( -23.223 -13.847 1.460) 27.078 16.813 ( 1.751 -7.525 -2.103) 8.007 ======================= Grid point 295 (53/213) ======================= q-point: ( 0.44 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 1.487 1.542 2.823) 3.544 3.321 ( 6.445 2.636 -4.347) 8.209 3.541 ( -4.669 8.775 -2.861) 10.344 3.892 ( -7.269 -1.028 -3.832) 8.282 4.189 ( 3.458 4.881 1.119) 6.086 5.581 ( 0.122 2.535 -4.100) 4.822 5.831 ( 11.098 2.777 10.253) 15.362 6.636 ( 0.914 -2.803 2.340) 3.764 6.925 ( 0.931 -4.612 -2.764) 5.456 10.091 ( 0.455 4.063 -0.578) 4.129 10.180 ( -0.609 0.181 1.835) 1.941 10.736 ( 1.664 -5.529 -9.125) 10.798 12.252 ( -6.349 22.215 0.585) 23.112 13.321 ( -8.310 -7.249 2.508) 11.309 16.779 ( 2.876 -7.179 -2.313) 8.072 ======================= Grid point 296 (54/213) ======================= q-point: (-0.50 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -3.944 -0.891 1.871) 4.455 3.280 ( -9.041 -5.102 -6.625) 12.315 3.523 ( -5.146 7.094 -3.542) 9.452 3.897 ( 3.531 4.349 -0.398) 5.616 4.312 ( 4.818 5.128 2.652) 7.520 5.588 ( -2.622 -1.684 0.209) 3.123 6.072 ( 13.760 6.040 17.383) 22.978 6.627 ( 1.398 -2.711 1.914) 3.601 6.884 ( 0.531 -5.832 -4.257) 7.240 10.083 ( -7.472 -2.935 -4.466) 9.186 10.130 ( -2.014 2.839 0.578) 3.528 10.666 ( -1.512 -6.769 -9.847) 12.045 12.228 ( -17.896 15.318 -0.319) 23.558 13.348 ( 12.284 4.718 3.372) 13.584 16.770 ( 3.951 -6.419 -2.669) 7.996 ======================= Grid point 297 (55/213) ======================= q-point: (-0.44 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -8.816 -2.993 1.385) 9.413 3.004 ( -14.330 -6.896 -5.379) 16.788 3.493 ( -5.923 5.570 -2.886) 8.628 4.007 ( 3.185 3.454 -0.247) 4.705 4.452 ( 5.465 4.750 0.518) 7.259 5.417 ( -11.142 -7.978 2.079) 13.861 6.430 ( 17.378 7.904 20.573) 28.066 6.636 ( 2.458 -1.258 2.635) 3.817 6.833 ( 0.716 -5.970 -5.968) 8.472 9.820 ( -15.464 -6.604 -10.389) 19.766 10.115 ( -2.798 1.296 0.891) 3.209 10.605 ( 0.649 -2.677 -6.369) 6.939 11.978 ( -22.660 7.207 -0.672) 23.788 13.767 ( 23.574 12.850 2.971) 27.012 16.788 ( 4.949 -5.289 -3.053) 7.860 ======================= Grid point 298 (56/213) ======================= q-point: (-0.38 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -13.093 -5.667 1.469) 14.343 2.668 ( -16.512 -6.114 -2.885) 17.842 3.430 ( -6.300 3.181 -2.876) 7.621 4.048 ( -2.566 2.577 2.577) 4.457 4.572 ( 1.814 1.929 -7.583) 8.032 5.088 ( -13.179 -9.867 6.121) 17.565 6.619 ( 3.238 -3.033 1.815) 4.794 6.737 ( 0.377 -1.568 -0.758) 1.782 6.892 ( 14.424 3.358 10.174) 17.968 9.489 ( -13.882 -4.660 -7.376) 16.396 10.053 ( -4.792 -0.680 -1.313) 5.015 10.623 ( 2.076 0.447 -4.811) 5.259 11.631 ( -21.635 2.574 -0.190) 21.788 14.366 ( 28.176 15.094 2.749) 32.082 16.833 ( 5.406 -4.066 -3.437) 7.588 ======================= Grid point 299 (57/213) ======================= q-point: (-0.31 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -16.460 -8.891 1.978) 18.812 2.313 ( -18.724 -4.056 -0.153) 19.159 3.343 ( -5.957 1.013 -3.181) 6.829 3.940 ( -14.042 1.344 6.473) 15.520 4.359 ( -18.758 -10.399 -8.313) 23.002 4.994 ( 7.384 0.430 2.963) 7.968 6.621 ( -0.009 -3.107 5.094) 5.967 6.664 ( -3.680 -4.326 -7.308) 9.255 7.155 ( 11.677 0.153 -0.831) 11.708 9.310 ( -3.904 1.462 4.051) 5.813 9.937 ( -6.899 -1.954 -6.438) 9.636 10.668 ( 1.553 1.661 -4.209) 4.784 11.327 ( -14.490 1.378 2.061) 14.701 15.013 ( 28.990 13.831 3.301) 32.290 16.882 ( 4.003 -3.205 -4.210) 6.634 ======================= Grid point 300 (58/213) ======================= q-point: (-0.25 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -18.715 -10.087 3.502) 21.546 1.930 ( -21.312 -3.333 2.459) 21.711 3.239 ( -6.985 -1.937 -2.648) 7.717 3.496 ( -33.236 -3.202 6.020) 33.928 3.992 ( -12.423 -6.832 -1.869) 14.301 5.183 ( 10.759 2.127 -2.502) 11.249 6.475 ( -9.688 -6.075 -4.255) 12.201 6.586 ( -3.266 -2.645 4.187) 5.932 7.336 ( 13.078 -3.263 -15.080) 20.226 9.374 ( 5.657 6.050 14.063) 16.321 9.795 ( -6.798 -1.163 -12.724) 14.473 10.704 ( 0.422 1.816 -3.306) 3.795 11.173 ( -5.275 1.736 5.317) 7.688 15.626 ( 27.250 9.935 4.639) 29.373 16.885 ( -0.885 -2.703 -6.539) 7.130 ======================= Grid point 301 (59/213) ======================= q-point: (-0.19 0.06 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -20.083 -8.710 6.461) 22.824 1.508 ( -22.849 -4.091 6.037) 23.984 2.714 ( -40.947 -5.453 9.871) 42.471 3.204 ( -5.363 1.518 -3.611) 6.641 3.718 ( -13.718 -4.210 0.125) 14.350 5.371 ( 8.262 1.077 -6.077) 10.313 6.229 ( -10.726 -4.585 -7.781) 14.022 6.471 ( -5.363 -4.819 9.024) 11.551 7.586 ( 19.482 -2.918 -15.941) 25.341 9.571 ( 8.392 6.391 14.775) 18.154 9.701 ( -3.923 1.650 -16.545) 17.083 10.720 ( -0.331 1.396 -1.947) 2.418 11.158 ( 0.920 1.488 7.611) 7.810 16.115 ( 19.305 1.503 3.622) 19.699 16.797 ( -6.075 0.601 -10.264) 11.943 ======================= Grid point 306 (60/213) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 9.659 19.120 3.692) 21.737 1.887 ( 10.680 20.226 2.132) 22.972 3.218 ( 6.934 10.246 -0.409) 12.378 3.492 ( 16.268 27.374 4.002) 32.093 3.923 ( 7.153 9.942 0.417) 12.255 5.191 ( -7.204 -9.818 -4.122) 12.856 6.383 ( 3.074 10.155 -2.911) 11.002 6.527 ( -0.343 5.256 -0.514) 5.292 7.179 ( -18.914 -8.650 -22.910) 30.943 9.519 ( 4.153 -8.444 18.573) 20.821 9.792 ( 2.989 4.258 -13.074) 14.071 10.748 ( 2.341 -1.067 -1.380) 2.919 11.210 ( 4.147 4.483 6.461) 8.890 15.712 ( -14.461 -21.313 3.715) 26.023 16.869 ( 1.542 -0.919 -5.976) 6.240 ======================= Grid point 307 (61/213) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 13.488 15.754 1.472) 20.792 2.266 ( 11.299 16.817 1.255) 20.299 3.375 ( 4.088 6.757 -1.894) 8.121 3.942 ( 2.187 19.919 -2.281) 20.168 4.278 ( 23.186 12.640 5.767) 27.030 4.935 ( -10.548 -9.779 -3.719) 14.857 6.445 ( -12.303 -5.914 -15.907) 20.961 6.517 ( 2.965 5.037 0.528) 5.868 6.889 ( -8.079 4.291 -13.520) 16.324 9.563 ( 8.262 -3.693 16.647) 18.948 9.888 ( 2.255 5.786 -9.327) 11.205 10.764 ( 1.365 -2.701 -0.265) 3.038 11.411 ( 8.647 13.809 4.741) 16.969 15.201 ( -19.956 -20.714 2.720) 28.891 16.838 ( 0.059 -6.965 -3.457) 7.776 ======================= Grid point 308 (62/213) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 13.279 11.978 1.381) 17.936 2.613 ( 11.439 13.401 0.254) 17.621 3.513 ( 2.450 9.431 -1.443) 9.850 4.084 ( -1.083 10.551 -5.161) 11.795 4.608 ( -11.218 -6.050 -3.288) 13.163 4.858 ( 21.320 10.028 5.875) 24.282 6.089 ( -18.010 -5.055 -22.547) 29.296 6.586 ( 1.912 0.426 2.475) 3.157 6.882 ( -0.054 1.899 -3.351) 3.852 9.729 ( 11.696 1.237 10.852) 16.003 9.985 ( 1.682 6.580 -5.991) 9.056 10.739 ( -0.086 -4.236 -0.236) 4.243 11.772 ( 10.746 23.231 3.287) 25.806 14.616 ( -24.314 -18.627 2.009) 30.695 16.753 ( 0.754 -10.616 -2.448) 10.921 ======================= Grid point 309 (63/213) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 8.871 7.374 2.936) 11.903 2.940 ( 12.232 10.801 -2.007) 16.442 3.645 ( -0.131 12.422 -0.877) 12.454 4.138 ( -1.361 4.172 -9.578) 10.535 4.322 ( -13.776 -2.246 0.633) 13.972 5.308 ( 19.050 6.031 6.159) 20.909 5.788 ( -12.745 -0.372 -16.473) 20.832 6.598 ( 1.047 -2.759 2.616) 3.944 6.881 ( 0.934 -3.848 0.047) 3.960 9.961 ( 11.012 3.528 4.454) 12.392 10.077 ( 1.393 6.594 -3.023) 7.386 10.688 ( -0.130 -4.967 -2.066) 5.381 12.210 ( 8.029 29.557 2.377) 30.720 14.009 ( -25.446 -14.893 1.504) 29.523 16.665 ( 2.780 -12.592 -1.998) 13.049 ======================= Grid point 310 (64/213) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 3.928 3.535 3.547) 6.365 3.230 ( 9.546 7.590 -4.073) 12.858 3.734 ( -4.648 11.521 -2.409) 12.655 4.034 ( -9.003 -1.704 -8.391) 12.424 4.221 ( -1.680 6.882 3.790) 8.034 5.612 ( 7.846 -1.288 -0.232) 7.954 5.669 ( 1.304 6.036 0.518) 6.197 6.578 ( 1.138 -4.523 2.530) 5.306 6.842 ( 1.341 -7.365 0.360) 7.495 10.123 ( 2.521 4.156 -1.540) 5.099 10.172 ( 2.664 4.438 0.931) 5.259 10.646 ( 1.383 -5.654 -6.276) 8.560 12.607 ( 0.893 32.802 1.812) 32.865 13.475 ( -20.407 -10.060 1.578) 22.806 16.602 ( 5.108 -13.444 -1.833) 14.498 ======================= Grid point 311 (65/213) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -0.954 0.899 3.292) 3.544 3.358 ( -2.322 0.608 -6.320) 6.760 3.712 ( -5.776 8.052 -6.965) 12.112 3.943 ( -4.397 5.781 0.485) 7.279 4.303 ( 2.867 6.488 3.160) 7.765 5.607 ( -1.315 -1.682 -1.224) 2.461 5.897 ( 12.485 5.413 12.915) 18.761 6.554 ( 1.979 -5.417 1.740) 6.024 6.788 ( 1.797 -8.613 -0.905) 8.845 10.160 ( -2.480 1.843 -2.555) 4.009 10.209 ( -2.465 3.397 -0.425) 4.218 10.601 ( 0.360 -7.094 -9.627) 11.963 12.817 ( -20.449 31.499 0.545) 37.559 13.206 ( 4.301 -3.254 2.964) 6.154 16.575 ( 7.123 -12.989 -1.948) 14.942 ======================= Grid point 313 (66/213) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( -6.092 -0.916 2.712) 6.731 3.181 ( -12.661 -4.459 -6.296) 14.826 3.706 ( -8.335 10.506 -4.264) 14.072 3.980 ( 3.318 3.509 -2.150) 5.287 4.429 ( 3.624 6.526 3.828) 8.389 5.497 ( -6.821 -7.377 1.277) 10.128 6.218 ( 16.050 8.229 17.952) 25.448 6.543 ( 3.693 -6.128 0.077) 7.155 6.737 ( 1.970 -7.790 -2.214) 8.335 10.019 ( -12.715 -3.111 -8.253) 15.475 10.191 ( -3.409 2.717 -0.217) 4.365 10.551 ( 1.563 -3.932 -6.877) 8.075 12.567 ( -29.895 15.766 0.331) 33.800 13.512 ( 19.271 12.276 2.856) 23.026 16.590 ( 8.458 -11.092 -2.301) 14.137 ======================= Grid point 314 (67/213) ======================= q-point: (-0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -11.549 -2.704 1.865) 12.007 2.891 ( -15.078 -4.081 -3.681) 16.049 3.624 ( -10.248 6.459 -2.372) 12.344 4.086 ( 2.811 4.553 -3.643) 6.473 4.551 ( 3.533 5.076 0.814) 6.238 5.222 ( -13.607 -11.153 3.197) 17.882 6.491 ( 6.690 -3.992 0.744) 7.826 6.651 ( 15.485 2.477 11.977) 19.732 6.700 ( 1.149 -4.747 -1.174) 5.024 9.717 ( -16.328 -3.119 -8.179) 18.527 10.138 ( -4.795 0.698 -1.199) 4.992 10.579 ( 3.298 0.099 -4.239) 5.372 12.156 ( -30.951 8.984 0.329) 32.231 14.039 ( 25.483 13.635 2.572) 29.016 16.645 ( 8.984 -8.247 -2.768) 12.505 ======================= Grid point 315 (68/213) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -16.640 -4.497 1.014) 17.267 2.588 ( -16.446 -2.111 -0.495) 16.589 3.498 ( -9.397 2.941 -2.264) 10.104 4.134 ( -3.699 5.541 -0.426) 6.676 4.581 ( -11.041 -0.792 -6.929) 13.059 4.899 ( -3.233 -8.419 6.902) 11.356 6.527 ( 5.676 -6.621 -5.859) 10.506 6.654 ( -0.734 -4.749 -2.140) 5.261 6.941 ( 12.375 0.502 6.781) 14.119 9.458 ( -11.081 1.770 0.497) 11.233 10.039 ( -6.422 -0.835 -4.141) 7.686 10.648 ( 3.043 1.916 -3.143) 4.776 11.715 ( -26.329 4.672 1.245) 26.769 14.637 ( 28.451 10.853 2.769) 30.576 16.731 ( 8.339 -5.084 -3.314) 10.314 ======================= Grid point 316 (69/213) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -19.634 -4.102 1.830) 20.141 2.264 ( -19.413 -1.130 1.114) 19.478 3.364 ( -8.119 0.855 -2.404) 8.510 4.044 ( -21.115 8.887 6.269) 23.751 4.140 ( -18.913 -10.942 -4.828) 22.378 4.990 ( 11.770 -1.257 -1.092) 11.887 6.545 ( -1.756 -3.742 4.896) 6.408 6.575 ( 0.005 -4.637 -11.153) 12.079 7.075 ( 8.656 -7.750 -11.264) 16.182 9.397 ( -1.174 6.920 12.673) 14.487 9.907 ( -7.160 -1.077 -8.857) 11.440 10.712 ( 1.536 2.545 -2.298) 3.757 11.377 ( -16.180 2.656 3.644) 16.797 15.218 ( 28.514 5.446 3.407) 29.229 16.820 ( 5.467 -1.868 -4.234) 7.163 ======================= Grid point 324 (70/213) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 9.247 15.705 0.949) 18.249 2.575 ( 8.915 14.158 0.610) 16.742 3.533 ( 5.646 8.799 -1.420) 10.551 4.192 ( 0.251 4.691 -7.021) 8.447 4.608 ( 17.487 18.929 4.104) 26.095 4.762 ( -9.617 -6.331 0.981) 11.555 6.343 ( -15.292 -3.480 -16.840) 23.011 6.587 ( -0.857 1.920 2.087) 2.962 6.918 ( -4.217 -3.009 -0.055) 5.180 9.554 ( 10.486 3.510 7.722) 13.487 10.018 ( 2.271 6.661 -5.910) 9.190 10.693 ( 0.355 -4.263 -1.346) 4.485 11.783 ( 15.042 22.963 2.596) 27.574 14.750 ( -14.507 -24.044 2.604) 28.202 16.677 ( -4.336 -8.707 -2.999) 10.179 ======================= Grid point 325 (71/213) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 8.180 10.729 2.060) 13.648 2.864 ( 9.711 12.056 -1.183) 15.525 3.728 ( 4.660 11.682 -0.049) 12.578 4.195 ( -2.323 -1.023 -13.352) 13.592 4.549 ( -11.462 1.822 5.632) 12.900 5.052 ( 17.259 8.797 4.050) 19.790 6.041 ( -15.890 0.135 -16.003) 22.552 6.569 ( -0.913 -2.180 3.082) 3.885 6.826 ( -0.920 -7.282 4.447) 8.582 9.807 ( 11.829 6.755 2.152) 13.791 10.118 ( 1.729 6.361 -4.007) 7.714 10.643 ( -0.483 -5.223 -1.549) 5.469 12.315 ( 14.451 29.572 2.245) 32.990 14.249 ( -18.639 -17.247 1.963) 25.470 16.512 ( -1.704 -13.094 -2.168) 13.381 ======================= Grid point 326 (72/213) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 4.709 5.676 3.621) 8.216 3.150 ( 9.763 10.311 -3.639) 14.658 3.896 ( -0.829 10.371 -1.144) 10.467 4.111 ( -2.369 -2.137 -12.692) 13.087 4.414 ( -10.059 7.808 7.319) 14.687 5.376 ( 14.386 0.675 3.861) 14.910 5.833 ( -10.081 4.844 -8.197) 13.867 6.521 ( -0.298 -4.789 3.339) 5.846 6.737 ( 0.688 -9.993 4.523) 10.990 10.061 ( 8.687 6.408 -1.936) 10.967 10.204 ( 1.150 5.785 -2.550) 6.426 10.582 ( -0.162 -5.390 -3.602) 6.484 12.813 ( 8.834 26.026 2.248) 27.576 13.797 ( -20.504 -2.480 1.444) 20.704 16.367 ( 2.726 -17.162 -1.516) 17.443 ======================= Grid point 327 (73/213) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 1.234 2.363 4.238) 5.007 3.374 ( 4.332 6.537 -5.792) 9.749 3.839 ( -5.466 -0.983 -10.539) 11.913 4.153 ( -4.987 12.892 1.811) 13.941 4.355 ( -3.031 6.222 4.518) 8.266 5.537 ( 6.333 -6.235 0.980) 8.941 5.828 ( 2.092 9.635 4.566) 10.865 6.468 ( 0.602 -6.304 2.444) 6.787 6.657 ( 2.169 -10.504 3.174) 11.186 10.202 ( 1.245 4.078 -3.695) 5.642 10.270 ( 0.050 4.676 -1.339) 4.865 10.529 ( 0.201 -5.701 -7.609) 9.510 13.081 ( 5.123 2.115 2.595) 6.120 13.549 ( -22.407 28.696 1.073) 36.424 16.275 ( 8.094 -19.171 -1.169) 20.843 ======================= Grid point 328 (74/213) ======================= q-point: (-0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -2.766 0.328 4.166) 5.011 3.350 ( -9.626 -0.915 -7.030) 11.954 3.850 ( 4.114 5.128 -10.749) 12.600 4.089 ( -12.143 7.798 3.100) 14.760 4.450 ( 2.862 8.245 5.106) 10.112 5.496 ( -1.640 -8.580 0.759) 8.769 6.060 ( 11.685 10.072 13.054) 20.208 6.412 ( 1.722 -9.077 -0.593) 9.258 6.612 ( 3.485 -7.899 2.277) 8.929 10.184 ( -7.192 0.901 -6.213) 9.546 10.279 ( -3.313 2.719 -1.783) 4.642 10.483 ( 1.417 -4.014 -7.344) 8.488 13.073 ( -6.005 -2.274 2.245) 6.802 13.558 ( -11.985 32.668 1.435) 34.826 16.272 ( 12.208 -16.595 -1.288) 20.642 ======================= Grid point 329 (75/213) ======================= q-point: (-0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -7.643 -0.862 3.439) 8.426 3.114 ( -14.204 -1.989 -5.167) 15.245 3.900 ( -12.939 7.501 -2.126) 15.106 4.037 ( 6.522 2.480 -7.932) 10.564 4.567 ( 1.625 6.581 6.323) 9.269 5.315 ( -8.653 -9.644 1.692) 13.067 6.335 ( 4.616 -6.779 -2.313) 8.521 6.409 ( 13.925 2.479 11.046) 17.947 6.618 ( 3.892 -3.381 3.052) 5.991 9.973 ( -15.047 -1.014 -8.341) 17.234 10.228 ( -4.514 0.894 -1.968) 5.005 10.516 ( 3.940 0.126 -3.919) 5.559 12.791 ( -28.092 6.575 1.408) 28.886 13.815 ( 12.899 15.374 2.070) 20.175 16.359 ( 13.150 -10.598 -1.813) 16.986 ======================= Grid point 330 (76/213) ======================= q-point: (-0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -13.619 -1.306 1.800) 13.800 2.845 ( -15.037 -0.543 -1.771) 15.151 3.719 ( -12.545 2.683 -0.812) 12.854 4.175 ( 3.960 3.451 -10.036) 11.327 4.645 ( 2.706 2.802 4.738) 6.134 5.009 ( -16.228 -7.718 3.002) 18.219 6.312 ( 6.852 -12.367 -11.935) 18.502 6.592 ( 3.636 -2.711 2.826) 5.343 6.759 ( 11.121 4.094 10.411) 15.775 9.709 ( -14.667 2.459 -2.802) 15.134 10.140 ( -5.877 -0.494 -3.248) 6.733 10.601 ( 4.387 1.819 -2.457) 5.347 12.295 ( -33.425 4.282 1.467) 33.730 14.259 ( 24.272 6.522 2.316) 25.239 16.504 ( 11.976 -4.348 -2.461) 12.976 ======================= Grid point 341 (77/213) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 4.046 7.165 3.616) 8.988 3.105 ( 8.145 12.026 -3.962) 15.056 3.965 ( 5.409 10.864 1.386) 12.214 4.093 ( -0.813 -6.479 -14.221) 15.649 4.616 ( -3.673 2.492 8.548) 9.631 5.208 ( 6.177 6.789 1.620) 9.321 6.087 ( -13.214 4.212 -8.618) 16.328 6.490 ( -1.868 -6.732 6.187) 9.332 6.628 ( -0.866 -10.326 7.576) 12.836 9.988 ( 9.020 10.676 -5.348) 14.964 10.230 ( 1.990 4.720 -2.985) 5.928 10.538 ( -0.796 -4.973 -2.728) 5.727 12.856 ( 12.470 20.635 1.976) 24.191 13.992 ( -3.594 -5.524 1.746) 6.817 16.239 ( -7.811 -13.932 -1.522) 16.045 ======================= Grid point 342 (78/213) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 1.907 3.389 4.755) 6.142 3.353 ( 7.077 9.894 -5.871) 13.508 3.900 ( -5.834 -6.330 -11.221) 14.143 4.254 ( 6.613 12.501 1.307) 14.202 4.553 ( -8.499 5.311 7.197) 12.338 5.342 ( 7.164 -3.630 0.877) 8.079 5.972 ( -6.671 8.530 -0.843) 10.861 6.410 ( 0.017 -6.351 5.205) 8.211 6.514 ( 0.390 -11.158 5.830) 12.595 10.204 ( 4.661 7.257 -6.357) 10.715 10.302 ( 1.285 3.940 -2.834) 5.020 10.480 ( -0.367 -4.556 -4.662) 6.529 13.031 ( 0.092 -2.366 2.270) 3.280 14.099 ( -2.406 30.066 1.338) 30.192 15.975 ( -0.654 -22.005 -0.667) 22.024 ======================= Grid point 343 (79/213) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( -0.537 1.095 5.179) 5.320 3.486 ( -3.600 4.596 -7.498) 9.503 3.791 ( 2.302 -2.829 -10.660) 11.267 4.408 ( -12.420 8.529 4.550) 15.739 4.481 ( 3.371 8.260 5.066) 10.259 5.377 ( 4.190 -8.794 -0.018) 9.741 6.040 ( 2.956 11.113 7.217) 13.576 6.326 ( -2.146 -7.938 1.717) 8.401 6.456 ( 5.037 -8.508 5.312) 11.223 10.282 ( -1.800 3.546 -5.618) 6.884 10.347 ( -0.797 2.803 -3.016) 4.194 10.430 ( -0.093 -3.866 -7.253) 8.219 12.995 ( 2.958 -4.926 2.375) 6.217 14.269 ( -20.791 35.934 1.205) 41.533 15.842 ( 13.477 -23.419 -0.289) 27.021 ======================= Grid point 345 (80/213) ======================= q-point: (-0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -3.840 -0.082 4.796) 6.145 3.339 ( -12.575 0.073 -6.582) 14.193 3.910 ( 9.006 1.041 -11.225) 14.429 4.215 ( -15.131 4.251 2.004) 15.844 4.606 ( 1.261 5.116 7.505) 9.170 5.322 ( -1.495 -6.333 0.240) 6.512 6.196 ( -0.252 -11.590 -1.849) 11.739 6.268 ( 9.214 9.757 10.591) 17.096 6.498 ( 6.148 -3.298 4.321) 8.206 10.196 ( -10.344 0.377 -8.143) 13.170 10.307 ( -3.823 0.313 -3.237) 5.020 10.452 ( 3.621 0.554 -3.968) 5.401 13.031 ( 1.748 -1.251 2.269) 3.125 14.099 ( -24.615 17.022 1.342) 29.958 15.974 ( 19.264 -10.301 -0.716) 21.857 ======================= Grid point 359 (81/213) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 0.587 1.074 5.597) 5.729 3.543 ( 5.401 8.714 -8.085) 13.057 3.752 ( -4.758 -7.730 -10.198) 13.652 4.482 ( 6.636 9.119 4.718) 12.225 4.602 ( -2.193 -1.047 6.844) 7.263 5.264 ( -1.395 -2.875 -1.771) 3.653 6.155 ( -3.275 9.198 3.620) 10.413 6.262 ( 6.704 -7.435 6.655) 12.021 6.341 ( -6.481 -5.838 4.600) 9.862 10.323 ( 1.887 3.771 -6.455) 7.711 10.363 ( 0.818 2.322 -5.066) 5.632 10.404 ( -0.565 -2.961 -4.992) 5.832 12.942 ( -2.034 -3.449 2.265) 4.600 14.748 ( 17.238 29.805 1.060) 34.448 15.495 ( -14.038 -24.313 0.253) 28.076 ======================= Grid point 542 (82/213) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -0.000 -0.000 24.136) 24.136 1.172 ( 0.000 0.000 24.136) 24.136 1.663 ( -0.000 -0.000 37.214) 37.214 3.010 ( -0.000 -0.000 -6.150) 6.150 3.010 ( 0.000 0.000 -6.150) 6.150 5.401 ( 0.000 -0.000 -15.263) 15.263 6.575 ( 0.000 0.000 21.833) 21.833 6.575 ( 0.000 0.000 21.833) 21.833 9.203 ( 0.000 -0.000 -26.876) 26.876 9.203 ( 0.000 0.000 -26.876) 26.876 10.622 ( -0.000 0.000 -3.250) 3.250 11.086 ( 0.000 0.000 3.139) 3.139 11.467 ( 0.000 -0.000 8.704) 8.704 11.467 ( 0.000 0.000 8.704) 8.704 17.676 ( 0.000 0.000 0.587) 0.587 ======================= Grid point 543 (83/213) ======================= q-point: ( 0.06 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 5.430 3.135 22.466) 23.325 1.243 ( -0.285 -0.164 27.684) 27.686 1.893 ( 22.084 12.750 21.604) 33.422 3.047 ( 2.090 1.207 -5.894) 6.369 3.166 ( 12.688 7.326 -1.857) 14.768 5.278 ( -7.236 -4.177 -12.740) 15.236 6.310 ( -16.680 -9.630 17.771) 26.206 6.509 ( -1.659 -0.958 19.661) 19.754 8.253 ( -45.842 -26.467 -16.186) 55.353 9.274 ( 3.205 1.851 -25.227) 25.497 10.157 ( -7.605 -4.391 14.414) 16.878 10.668 ( 2.023 1.168 -2.430) 3.371 11.433 ( -2.585 -1.493 8.700) 9.198 14.193 ( 101.278 58.473 -36.356) 122.466 17.383 ( -20.912 -12.074 3.575) 24.411 ======================= Grid point 544 (84/213) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 6.520 3.764 17.732) 19.263 1.416 ( 12.858 7.423 16.964) 22.544 2.534 ( 30.061 17.356 10.261) 36.196 3.102 ( 2.605 1.504 -5.566) 6.326 3.516 ( 16.693 9.638 4.078) 19.702 5.191 ( -0.862 -0.498 -13.649) 13.685 6.042 ( -6.109 -3.527 3.311) 7.792 6.503 ( 1.071 0.618 16.100) 16.148 7.355 ( -35.017 -20.217 -23.527) 46.781 9.350 ( 3.472 2.004 -22.563) 22.916 10.091 ( -1.180 -0.681 13.455) 13.524 10.730 ( 3.097 1.788 -1.158) 3.759 11.365 ( -2.862 -1.653 8.294) 8.928 15.721 ( 34.777 20.078 -16.859) 43.552 16.908 ( -16.304 -9.413 -0.086) 18.826 ======================= Grid point 545 (85/213) ======================= q-point: ( 0.19 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 15.573 8.991 5.886) 18.921 1.765 ( 16.620 9.596 11.599) 22.424 3.163 ( 2.601 1.502 -5.342) 6.128 3.181 ( 24.085 13.905 2.378) 27.912 3.938 ( 20.490 11.830 9.121) 25.357 5.124 ( -6.892 -3.979 -9.287) 12.230 6.053 ( 7.021 4.053 -7.950) 11.354 6.553 ( 3.054 1.763 11.915) 12.426 6.593 ( -30.389 -17.545 -27.083) 44.326 9.443 ( 4.711 2.720 -18.524) 19.306 10.066 ( -0.890 -0.514 14.193) 14.230 10.798 ( 2.352 1.358 -0.912) 2.865 11.324 ( -0.172 -0.099 7.169) 7.172 15.877 ( -15.319 -8.845 2.828) 17.914 16.808 ( 4.984 2.878 -8.320) 10.116 ======================= Grid point 546 (86/213) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 18.852 10.884 -0.085) 21.769 2.155 ( 16.632 9.603 8.074) 20.833 3.219 ( 2.213 1.278 -5.360) 5.938 3.602 ( 12.581 7.264 -3.006) 14.835 4.477 ( 25.331 14.625 11.641) 31.482 4.875 ( -13.571 -7.835 -5.802) 16.710 5.952 ( -22.119 -12.771 -24.097) 35.115 6.329 ( 12.605 7.277 -12.393) 19.116 6.630 ( 3.278 1.893 7.900) 8.761 9.573 ( 6.529 3.770 -12.936) 14.972 10.063 ( 0.942 0.544 13.576) 13.619 10.821 ( -0.570 -0.329 -2.342) 2.432 11.374 ( 4.713 2.721 5.145) 7.489 15.360 ( -26.313 -15.192 3.778) 30.618 16.898 ( 1.434 0.828 -5.462) 5.707 ======================= Grid point 547 (87/213) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 19.828 11.448 -1.319) 22.934 2.513 ( 13.899 8.025 6.199) 17.205 3.264 ( 1.646 0.950 -5.648) 5.960 3.800 ( 5.150 2.973 -6.606) 8.888 4.539 ( -14.232 -8.217 -1.349) 16.489 5.060 ( 23.720 13.695 9.064) 28.850 5.553 ( -11.631 -6.715 -16.774) 21.488 6.613 ( 10.676 6.164 -10.453) 16.163 6.693 ( 2.055 1.187 4.929) 5.470 9.736 ( 7.244 4.182 -6.886) 10.835 10.118 ( 3.812 2.201 11.132) 11.970 10.767 ( -4.040 -2.332 -5.684) 7.353 11.542 ( 9.482 5.474 2.717) 11.281 14.715 ( -28.819 -16.638 3.179) 33.428 16.887 ( -1.750 -1.011 -4.109) 4.579 ======================= Grid point 548 (88/213) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 9.292 5.365 5.312) 11.973 2.860 ( 18.743 10.821 0.504) 21.648 3.297 ( 1.271 0.734 -6.032) 6.208 3.845 ( -1.751 -1.011 -13.237) 13.391 4.266 ( -7.903 -4.563 4.720) 10.274 5.385 ( 0.294 0.170 -9.547) 9.553 5.583 ( 17.769 10.259 11.772) 23.655 6.723 ( 0.580 0.335 3.453) 3.517 6.799 ( 5.369 3.100 -7.848) 10.002 9.895 ( 6.308 3.642 -2.229) 7.617 10.225 ( 4.527 2.614 8.114) 9.652 10.648 ( -5.633 -3.252 -11.413) 13.137 11.785 ( 10.707 6.182 0.912) 12.397 14.064 ( -26.430 -15.259 3.140) 30.680 16.838 ( -2.142 -1.236 -3.814) 4.545 ======================= Grid point 549 (89/213) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 3.419 1.974 4.479) 5.971 3.228 ( 11.113 6.416 1.729) 12.948 3.327 ( 1.394 0.805 -5.883) 6.099 3.734 ( -5.235 -3.022 -14.755) 15.945 4.202 ( 1.338 0.772 5.681) 5.887 5.468 ( 6.602 3.812 -0.091) 7.624 5.958 ( 14.360 8.291 13.505) 21.385 6.724 ( -0.359 -0.207 3.079) 3.107 6.867 ( 0.813 0.469 -5.931) 6.004 10.021 ( 4.522 2.611 0.287) 5.229 10.249 ( -4.326 -2.497 0.817) 5.061 10.559 ( -0.970 -0.560 -13.610) 13.656 11.994 ( 6.553 3.783 0.092) 7.567 13.553 ( -16.241 -9.377 3.783) 19.131 16.795 ( -1.511 -0.872 -3.755) 4.141 ======================= Grid point 550 (90/213) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -1.963 -1.133 3.429) 4.111 3.266 ( -6.737 -3.890 -3.515) 8.536 3.356 ( 0.896 0.517 -5.049) 5.154 3.746 ( 5.719 3.302 -7.449) 9.955 4.275 ( 4.237 2.446 2.326) 5.418 5.614 ( 3.941 2.275 3.428) 5.697 6.284 ( 14.906 8.606 17.883) 24.820 6.712 ( -0.544 -0.314 3.059) 3.123 6.851 ( -1.911 -1.104 -5.074) 5.534 10.040 ( -12.464 -7.196 -12.210) 18.874 10.101 ( 2.261 1.305 1.054) 2.815 10.559 ( -0.382 -0.221 -6.927) 6.941 12.058 ( -1.360 -0.785 -0.121) 1.576 13.375 ( 1.458 0.842 4.089) 4.422 16.770 ( -0.629 -0.363 -3.732) 3.802 ======================= Grid point 552 (91/213) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -5.899 -3.406 3.273) 7.558 3.044 ( -11.299 -6.523 -3.386) 13.479 3.360 ( -0.693 -0.400 -4.657) 4.725 3.890 ( 5.939 3.429 -6.022) 9.126 4.370 ( 3.388 1.956 -0.579) 3.955 5.590 ( -6.175 -3.565 3.250) 7.836 6.631 ( 11.532 6.658 11.846) 17.823 6.705 ( -0.005 -0.003 3.031) 3.031 6.809 ( 0.828 0.478 -0.257) 0.990 9.720 ( -13.939 -8.048 -14.356) 21.568 10.120 ( -0.753 -0.435 0.335) 0.932 10.540 ( -0.779 -0.450 -3.384) 3.502 11.932 ( -9.164 -5.291 0.071) 10.582 13.604 ( 17.333 10.007 3.355) 20.293 16.768 ( 0.459 0.265 -3.738) 3.776 ======================= Grid point 553 (92/213) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -9.058 -5.230 4.139) 11.249 2.756 ( -13.668 -7.891 -1.551) 15.858 3.325 ( -2.289 -1.322 -4.799) 5.479 4.016 ( 4.867 2.810 -4.153) 6.988 4.407 ( -0.709 -0.409 -4.606) 4.679 5.359 ( -12.545 -7.243 3.654) 14.939 6.650 ( -3.758 -2.170 -7.918) 9.029 6.716 ( 0.990 0.572 3.329) 3.520 6.984 ( 6.752 3.898 3.886) 8.711 9.467 ( -6.397 -3.693 -2.670) 7.854 10.055 ( -5.179 -2.990 -2.337) 6.421 10.536 ( 0.531 0.307 -2.899) 2.964 11.670 ( -12.447 -7.186 1.098) 14.415 14.119 ( 26.038 15.033 2.824) 30.198 16.791 ( 1.469 0.848 -3.802) 4.163 ======================= Grid point 554 (93/213) ======================= q-point: (-0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -16.163 -9.332 -0.854) 18.683 2.439 ( -11.573 -6.682 5.745) 14.546 3.258 ( -3.327 -1.921 -5.093) 6.379 4.089 ( 0.287 0.166 3.902) 3.916 4.291 ( -10.572 -6.104 -10.085) 15.834 5.099 ( -7.320 -4.226 2.731) 8.883 6.553 ( -4.792 -2.767 -10.555) 11.917 6.749 ( 1.785 1.031 4.834) 5.256 7.003 ( -4.090 -2.361 -16.331) 17.001 9.456 ( 4.854 2.803 14.482) 15.529 9.872 ( -10.606 -6.124 -7.560) 14.392 10.560 ( 1.457 0.841 -3.334) 3.734 11.411 ( -8.965 -5.176 3.420) 10.903 14.766 ( 29.231 16.876 3.087) 33.894 16.825 ( 1.034 0.597 -4.179) 4.346 ======================= Grid point 555 (94/213) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -17.738 -10.241 -0.444) 20.487 2.152 ( -13.095 -7.560 8.142) 17.174 3.176 ( -3.657 -2.111 -5.392) 6.848 3.823 ( -24.287 -14.022 4.639) 28.425 4.072 ( -6.409 -3.700 -0.560) 7.422 5.074 ( 3.918 2.262 -3.131) 5.502 6.376 ( -11.557 -6.673 -14.320) 19.574 6.790 ( 1.454 0.839 8.394) 8.560 6.938 ( 1.889 1.091 -26.121) 26.212 9.590 ( -12.799 -7.390 -14.255) 20.534 9.629 ( 8.677 5.010 21.793) 23.986 10.601 ( 2.038 1.177 -3.091) 3.885 11.278 ( -2.497 -1.442 5.898) 6.565 15.445 ( 29.048 16.771 4.208) 33.805 16.807 ( -3.534 -2.041 -5.962) 7.225 ======================= Grid point 556 (95/213) ======================= q-point: (-0.19 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -16.454 -9.500 2.901) 19.220 1.844 ( -13.246 -7.648 11.600) 19.197 3.095 ( -3.214 -1.855 -5.710) 6.810 3.168 ( -30.850 -17.811 7.940) 36.496 3.867 ( -11.379 -6.570 4.135) 13.775 5.189 ( 4.038 2.331 -7.932) 9.201 6.086 ( -10.586 -6.112 -15.453) 19.703 6.804 ( -0.479 -0.277 13.780) 13.792 7.136 ( 14.763 8.524 -24.213) 29.612 9.325 ( -9.306 -5.373 -20.657) 23.285 9.811 ( 6.635 3.831 19.564) 21.010 10.652 ( 2.203 1.272 -1.712) 3.067 11.280 ( 2.155 1.244 7.364) 7.773 16.087 ( 24.914 14.384 7.018) 29.612 16.611 ( -13.742 -7.934 -12.524) 20.215 ======================= Grid point 557 (96/213) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -9.137 -5.275 13.348) 17.014 1.551 ( -11.844 -6.838 16.157) 21.168 2.447 ( -30.314 -17.502 14.338) 37.827 3.033 ( -2.055 -1.187 -6.019) 6.470 3.556 ( -15.075 -8.703 2.772) 17.626 5.216 ( -0.532 -0.307 -13.576) 13.590 5.995 ( 3.269 1.887 -3.716) 5.296 6.762 ( -3.028 -1.748 18.986) 19.305 7.605 ( 25.773 14.880 -18.905) 35.257 9.178 ( -3.438 -1.985 -25.310) 25.620 9.941 ( 5.070 2.927 14.761) 15.879 10.687 ( 0.497 0.287 -0.905) 1.072 11.355 ( 3.827 2.209 8.087) 9.216 15.871 ( -43.768 -25.269 -19.618) 54.213 16.786 ( 25.564 14.759 2.674) 29.639 ======================= Grid point 558 (97/213) ======================= q-point: (-0.06 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -1.943 -1.122 25.539) 25.638 1.310 ( -8.638 -4.987 21.064) 23.307 1.849 ( -18.508 -10.686 24.447) 32.472 3.003 ( -0.492 -0.284 -6.198) 6.224 3.206 ( -13.865 -8.005 -1.959) 16.129 5.278 ( 6.868 3.965 -12.755) 15.020 6.218 ( 16.214 9.361 13.430) 23.041 6.673 ( -4.390 -2.535 21.820) 22.401 8.365 ( 42.311 24.428 -12.776) 50.499 9.154 ( 0.969 0.560 -27.218) 27.241 10.094 ( 11.061 6.386 14.306) 19.178 10.671 ( -1.565 -0.904 -1.964) 2.669 11.435 ( 2.708 1.563 8.486) 9.044 14.229 (-103.864 -59.966 -36.851) 125.465 17.369 ( 22.735 13.126 4.003) 26.555 ======================= Grid point 560 (98/213) ======================= q-point: ( 0.06 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 2.934 5.213 18.982) 19.902 1.409 ( 1.122 13.738 18.520) 23.087 2.309 ( 19.993 27.367 14.201) 36.747 3.058 ( 4.075 1.382 -5.594) 7.058 3.436 ( 7.031 16.321 2.075) 17.892 5.207 ( -1.332 -0.907 -13.717) 13.811 6.050 ( -2.216 -9.013 3.185) 9.813 6.626 ( -8.032 6.841 19.197) 21.905 7.670 ( -26.269 -28.455 -19.678) 43.439 9.250 ( 7.765 -0.964 -24.707) 25.916 10.043 ( 3.117 -5.663 14.080) 15.493 10.692 ( 1.417 0.622 -1.583) 2.214 11.385 ( -1.566 -3.167 8.378) 9.093 15.510 ( 27.094 55.894 -24.733) 66.857 16.983 ( -10.493 -24.710 3.005) 27.013 ======================= Grid point 561 (99/213) ======================= q-point: ( 0.12 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 9.142 11.491 9.100) 17.275 1.660 ( 9.830 15.536 12.820) 22.413 2.941 ( 20.432 20.009 4.082) 28.887 3.167 ( 5.208 7.845 -3.226) 9.954 3.758 ( 13.365 13.078 6.571) 19.820 5.176 ( -3.205 -2.101 -11.062) 11.707 6.010 ( 2.685 2.871 -6.826) 7.877 6.589 ( -3.543 5.311 14.130) 15.506 6.945 ( -29.160 -18.707 -25.509) 43.022 9.374 ( 6.198 1.961 -20.943) 21.928 10.037 ( 1.686 -4.525 15.618) 16.348 10.739 ( 3.818 -0.664 -1.342) 4.101 11.338 ( -0.977 -0.838 7.708) 7.815 16.026 ( -6.294 3.768 -0.465) 7.351 16.715 ( 4.074 -5.764 -7.937) 10.621 ======================= Grid point 562 (100/213) ======================= q-point: ( 0.19 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 14.871 12.861 2.284) 19.793 2.021 ( 13.163 15.170 8.432) 21.783 3.198 ( 3.971 3.526 -5.143) 7.393 3.522 ( 10.695 18.055 -1.356) 21.028 4.194 ( 22.439 13.147 10.897) 28.197 5.006 ( -10.261 -7.594 -6.661) 14.399 6.164 ( -1.237 1.611 -14.988) 15.125 6.308 ( -15.052 -4.342 -21.826) 26.866 6.635 ( -0.710 4.898 8.089) 9.483 9.513 ( 5.908 5.100 -15.861) 17.677 10.021 ( 1.936 -4.088 15.496) 16.142 10.790 ( 2.691 -1.811 -1.744) 3.683 11.358 ( 2.142 3.990 6.074) 7.577 15.639 ( -22.834 -15.125 4.411) 27.742 16.824 ( 5.857 -1.568 -6.987) 9.251 ======================= Grid point 563 (101/213) ======================= q-point: ( 0.25 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 17.747 11.714 -0.387) 21.268 2.393 ( 12.624 13.289 5.856) 19.242 3.286 ( 1.135 5.886 -5.171) 7.917 3.775 ( 3.854 9.118 -5.245) 11.203 4.701 ( -10.420 -6.070 1.252) 12.124 4.766 ( 22.154 11.185 5.588) 25.439 5.755 ( -18.669 -6.237 -20.361) 28.320 6.506 ( 9.818 9.380 -10.812) 17.358 6.682 ( 1.115 2.801 4.629) 5.524 9.679 ( 5.985 6.925 -9.858) 13.452 10.040 ( 4.616 -2.852 13.227) 14.297 10.780 ( -0.908 -3.598 -3.778) 5.296 11.504 ( 5.959 11.008 3.789) 13.078 15.035 ( -27.133 -17.214 3.579) 32.332 16.848 ( 1.876 -5.651 -4.584) 7.515 ======================= Grid point 564 (102/213) ======================= q-point: ( 0.31 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 17.478 8.577 1.353) 19.516 2.716 ( 10.956 11.030 3.223) 15.877 3.360 ( -1.047 8.979 -5.061) 10.360 3.863 ( -0.343 2.384 -10.373) 10.649 4.406 ( -12.396 -4.045 1.781) 13.161 5.291 ( 20.331 8.849 5.336) 22.806 5.499 ( -6.351 1.556 -8.048) 10.370 6.690 ( 3.270 0.362 1.847) 3.773 6.749 ( 4.229 4.697 -6.931) 9.380 9.848 ( 5.264 6.721 -4.554) 9.675 10.125 ( 7.265 -1.317 9.475) 12.012 10.689 ( -4.067 -5.214 -7.950) 10.341 11.769 ( 7.033 17.857 1.800) 19.276 14.380 ( -28.005 -16.673 3.109) 32.740 16.803 ( 1.012 -7.172 -3.837) 8.197 ======================= Grid point 565 (103/213) ======================= q-point: ( 0.38 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 6.863 4.645 5.389) 9.885 3.034 ( 14.121 6.357 -0.772) 15.505 3.434 ( -2.701 11.947 -3.995) 12.884 3.804 ( -5.419 -2.763 -15.695) 16.832 4.245 ( -4.702 2.499 6.470) 8.379 5.437 ( 1.787 4.979 -4.363) 6.857 5.754 ( 17.289 6.544 12.258) 22.181 6.706 ( 0.903 -1.998 3.335) 3.991 6.842 ( 2.307 0.566 -6.295) 6.728 9.989 ( 3.902 5.355 -1.249) 6.743 10.231 ( 4.531 -1.476 5.807) 7.512 10.557 ( -3.568 -5.777 -13.973) 15.536 12.065 ( 2.777 22.081 0.725) 22.267 13.774 ( -22.671 -13.656 3.339) 26.677 16.752 ( 1.622 -7.254 -3.602) 8.260 ======================= Grid point 566 (104/213) ======================= q-point: ( 0.44 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 0.037 2.000 4.585) 5.003 3.244 ( 4.847 -0.063 -2.765) 5.581 3.456 ( -6.332 5.587 -5.370) 10.008 3.735 ( -0.218 4.708 -10.051) 11.101 4.261 ( 1.200 4.680 4.219) 6.414 5.566 ( 5.103 5.072 2.218) 7.529 6.090 ( 15.629 5.322 15.543) 22.675 6.694 ( 0.677 -2.858 3.226) 4.363 6.846 ( -0.108 -2.763 -4.643) 5.404 10.085 ( 1.797 3.076 -0.111) 3.564 10.168 ( -8.030 -4.433 -6.042) 10.984 10.504 ( 2.826 -4.661 -10.237) 11.597 12.261 ( -7.307 22.418 0.262) 23.581 13.391 ( -7.366 -6.971 3.998) 10.901 16.718 ( 2.526 -6.819 -3.496) 8.068 ======================= Grid point 567 (105/213) ======================= q-point: (-0.50 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -5.182 -0.210 3.663) 6.350 3.162 ( -8.704 -5.255 -4.160) 10.985 3.429 ( -3.347 6.079 -5.589) 8.911 3.834 ( 4.001 4.659 -5.992) 8.580 4.351 ( 2.767 5.067 1.318) 5.922 5.630 ( -1.503 -1.330 3.169) 3.751 6.434 ( 16.588 5.957 17.070) 24.537 6.681 ( 1.868 -2.839 3.699) 5.023 6.798 ( -1.153 -3.858 -3.619) 5.414 9.894 ( -14.040 -6.752 -14.613) 21.360 10.137 ( -0.391 1.943 0.027) 1.982 10.506 ( 2.083 -3.881 -4.620) 6.383 12.228 ( -18.364 15.878 0.324) 24.279 13.423 ( 11.972 4.302 3.703) 13.249 16.705 ( 3.485 -6.068 -3.486) 7.818 ======================= Grid point 568 (106/213) ======================= q-point: (-0.44 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -9.243 -3.185 2.794) 10.168 2.923 ( -12.190 -4.851 -1.449) 13.200 3.413 ( -5.442 5.388 -4.860) 9.070 3.950 ( 5.396 2.346 -6.114) 8.485 4.430 ( 0.295 4.127 -1.550) 4.419 5.483 ( -9.784 -7.133 3.430) 12.585 6.590 ( 2.305 -7.246 -2.167) 7.907 6.743 ( -1.190 -0.140 0.114) 1.204 6.842 ( 12.915 2.927 10.689) 17.018 9.597 ( -12.150 -3.604 -9.730) 15.978 10.111 ( -3.587 -0.802 -1.367) 3.921 10.512 ( 1.942 -1.388 -2.960) 3.803 11.980 ( -22.779 8.160 0.831) 24.211 13.829 ( 23.223 12.472 2.967) 26.527 16.718 ( 4.489 -5.047 -3.583) 7.646 ======================= Grid point 569 (107/213) ======================= q-point: (-0.38 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -12.871 -7.636 1.197) 15.013 2.654 ( -14.526 -2.517 2.530) 14.958 3.351 ( -6.620 3.351 -4.810) 8.843 4.060 ( 4.332 1.615 -3.241) 5.646 4.417 ( -6.407 1.616 -5.431) 8.554 5.198 ( -11.427 -8.810 4.078) 14.994 6.527 ( 0.940 -8.827 -8.777) 12.484 6.736 ( 0.277 0.055 3.189) 3.201 6.990 ( 2.400 -3.147 -5.888) 7.095 9.463 ( -2.242 3.282 6.087) 7.270 9.987 ( -8.230 -3.667 -4.924) 10.267 10.546 ( 1.919 1.121 -3.042) 3.767 11.652 ( -20.337 3.833 2.180) 20.809 14.425 ( 28.399 15.240 2.918) 32.362 16.756 ( 4.858 -4.073 -3.847) 7.415 ======================= Grid point 570 (108/213) ======================= q-point: (-0.31 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -16.079 -9.185 0.467) 18.524 2.364 ( -16.208 -2.438 5.351) 17.242 3.258 ( -6.523 1.337 -5.063) 8.365 4.096 ( -3.725 1.058 6.212) 7.320 4.171 ( -19.682 -5.590 -7.900) 21.933 5.025 ( 0.550 -3.472 0.167) 3.519 6.451 ( -2.164 -6.721 -12.173) 14.073 6.730 ( 0.833 -4.036 2.732) 4.945 6.912 ( -1.999 -5.713 -18.925) 19.869 9.563 ( 5.806 7.394 18.559) 20.804 9.757 ( -12.704 -4.864 -10.301) 17.064 10.594 ( 1.373 2.622 -3.203) 4.361 11.398 ( -11.803 2.617 4.494) 12.898 15.086 ( 29.958 14.419 3.647) 33.447 16.788 ( 2.537 -3.746 -4.750) 6.560 ======================= Grid point 571 (109/213) ======================= q-point: (-0.25 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -17.615 -8.029 1.440) 19.412 2.045 ( -16.786 -3.730 8.387) 19.132 3.156 ( -5.973 -0.408 -5.286) 7.987 3.624 ( -32.391 -5.496 3.646) 33.056 3.994 ( -8.690 -3.115 4.332) 10.197 5.101 ( 7.414 0.189 -5.338) 9.138 6.245 ( -13.234 -5.533 -15.611) 21.200 6.739 ( 5.960 -5.638 3.465) 8.906 6.910 ( 8.869 -4.858 -19.232) 21.728 9.482 ( -12.576 -2.951 -17.101) 21.432 9.760 ( 6.385 7.653 21.242) 23.464 10.643 ( 1.050 2.894 -2.572) 4.012 11.299 ( -3.047 2.572 6.522) 7.645 15.731 ( 29.221 10.569 5.362) 31.533 16.732 ( -5.592 -4.049 -7.971) 10.545 ======================= Grid point 572 (110/213) ======================= q-point: (-0.19 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -15.041 -4.665 6.987) 17.229 1.716 ( -15.695 -5.315 12.774) 20.923 2.908 ( -29.771 -5.304 6.125) 30.854 3.129 ( -10.967 2.542 -2.740) 11.586 3.754 ( -14.552 -3.847 4.668) 15.759 5.202 ( 2.769 -0.659 -10.451) 10.832 6.012 ( -6.039 -1.463 -11.055) 12.682 6.732 ( 0.027 -6.625 15.410) 16.774 7.172 ( 26.404 -5.390 -23.574) 35.804 9.294 ( -8.019 2.230 -22.279) 23.783 9.922 ( 3.944 6.772 17.682) 19.341 10.683 ( 0.566 1.890 -1.558) 2.514 11.321 ( 2.034 2.034 7.724) 8.242 16.183 ( 2.765 -6.047 2.354) 7.053 16.568 ( 0.684 6.139 -10.757) 12.404 ======================= Grid point 577 (111/213) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 7.882 16.345 3.085) 18.407 1.996 ( 8.877 17.292 8.333) 21.149 3.161 ( 5.079 6.261 -4.894) 9.431 3.560 ( 11.989 25.943 0.695) 28.588 4.003 ( 12.232 10.828 8.706) 18.511 5.079 ( -6.756 -7.028 -6.650) 11.801 6.172 ( 4.598 11.222 -14.080) 18.583 6.569 ( -17.550 -7.569 -12.613) 22.899 6.759 ( -9.058 1.443 -2.817) 9.595 9.470 ( 6.139 7.957 -17.741) 20.390 9.913 ( 3.533 -7.764 18.871) 20.709 10.712 ( 3.421 -1.958 -2.138) 4.485 11.347 ( 3.302 2.499 6.554) 7.753 15.810 ( -16.028 -21.132 5.695) 27.128 16.715 ( 4.927 2.082 -8.739) 10.246 ======================= Grid point 578 (112/213) ======================= q-point: ( 0.19 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 12.139 14.921 0.569) 19.244 2.337 ( 10.603 15.591 5.720) 19.703 3.307 ( 4.277 7.232 -4.800) 9.677 3.858 ( 0.416 14.022 -5.446) 15.048 4.455 ( 23.868 12.977 10.639) 29.177 4.849 ( -10.887 -6.919 -4.101) 13.536 6.044 ( -19.875 -5.274 -19.759) 28.518 6.481 ( 4.897 12.228 -11.730) 17.638 6.720 ( -1.904 3.313 2.392) 4.508 9.660 ( 5.569 9.290 -12.209) 16.321 9.908 ( 4.915 -6.710 16.392) 18.382 10.734 ( 1.641 -3.713 -2.887) 4.981 11.509 ( 7.477 11.772 4.555) 14.671 15.275 ( -21.027 -20.867 4.325) 29.938 16.745 ( 1.681 -6.010 -5.381) 8.240 ======================= Grid point 579 (113/213) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 14.375 12.396 0.055) 18.981 2.655 ( 9.648 12.402 4.211) 16.268 3.457 ( 2.512 10.823 -4.203) 11.880 3.923 ( -2.767 4.235 -9.647) 10.893 4.594 ( -12.363 -1.902 0.399) 12.515 4.992 ( 23.375 9.744 7.882) 26.523 5.710 ( -14.862 1.568 -13.698) 20.272 6.649 ( 2.890 3.251 0.606) 4.392 6.745 ( 1.356 4.150 -6.793) 8.074 9.839 ( 4.683 8.228 -6.540) 11.507 9.964 ( 7.767 -3.768 10.909) 13.912 10.686 ( -1.777 -5.604 -5.311) 7.923 11.835 ( 9.775 22.142 2.716) 24.356 14.674 ( -25.030 -18.712 3.445) 31.441 16.684 ( 1.455 -10.240 -4.017) 11.096 ======================= Grid point 580 (114/213) ======================= q-point: ( 0.31 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 12.013 8.262 2.805) 14.847 2.919 ( 8.762 9.181 1.076) 12.736 3.606 ( -0.547 14.508 -2.917) 14.809 3.860 ( -4.442 -2.588 -14.954) 15.813 4.411 ( -9.864 4.597 5.219) 12.069 5.413 ( 13.988 3.756 0.688) 14.499 5.602 ( 0.107 7.852 2.134) 8.138 6.668 ( 0.570 -2.336 4.047) 4.708 6.811 ( 1.681 0.733 -6.623) 6.872 9.984 ( 3.856 5.931 -2.738) 7.585 10.090 ( 8.676 -0.969 5.331) 10.229 10.568 ( -4.333 -6.630 -9.853) 12.642 12.253 ( 7.288 29.576 1.755) 30.511 14.057 ( -25.634 -14.975 3.064) 29.845 16.609 ( 2.981 -12.068 -3.343) 12.872 ======================= Grid point 581 (115/213) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 3.847 4.146 5.942) 8.203 3.152 ( 8.220 5.742 -3.073) 10.487 3.626 ( -7.912 1.741 -8.754) 11.928 3.836 ( -1.302 10.959 -8.633) 14.012 4.341 ( -4.654 6.226 5.896) 9.756 5.550 ( 3.146 4.613 -0.970) 5.667 5.861 ( 15.401 5.294 13.518) 21.165 6.644 ( 0.583 -4.208 3.853) 5.735 6.810 ( 0.299 -3.760 -3.507) 5.150 10.089 ( 2.293 3.927 -1.581) 4.815 10.198 ( 2.295 -0.862 1.117) 2.694 10.429 ( -2.265 -6.547 -14.414) 15.992 12.640 ( -0.169 33.588 1.398) 33.618 13.526 ( -19.530 -10.327 3.297) 22.337 16.552 ( 4.883 -12.695 -2.919) 13.911 ======================= Grid point 582 (116/213) ======================= q-point: ( 0.44 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -2.298 1.821 5.443) 6.183 3.236 ( -3.437 -1.136 -4.859) 6.059 3.540 ( -1.915 4.173 -9.747) 10.775 3.906 ( -4.623 10.683 -3.871) 12.267 4.377 ( 1.019 6.764 3.524) 7.695 5.623 ( 1.210 -0.565 2.158) 2.537 6.197 ( 16.942 5.955 16.420) 24.334 6.604 ( 0.946 -6.413 3.230) 7.243 6.764 ( 0.034 -4.865 -1.349) 5.048 10.052 ( -9.932 -4.243 -10.706) 15.207 10.171 ( -0.800 2.755 -2.663) 3.915 10.408 ( 3.957 -4.085 -6.589) 8.704 12.833 ( -21.195 32.003 0.982) 38.398 13.278 ( 4.711 -3.382 3.798) 6.932 16.526 ( 6.526 -12.204 -2.752) 14.110 ======================= Grid point 584 (117/213) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( -8.097 -0.574 3.410) 8.804 3.074 ( -9.903 -3.214 -2.842) 10.793 3.586 ( -3.535 8.822 -7.291) 11.978 3.914 ( -0.675 3.109 -4.889) 5.833 4.477 ( 1.123 7.594 1.327) 7.790 5.548 ( -5.609 -6.814 3.103) 9.355 6.465 ( 4.460 -5.296 2.916) 7.513 6.618 ( 12.243 -1.564 9.629) 15.655 6.736 ( 1.374 -1.550 2.400) 3.170 9.793 ( -13.537 -2.791 -12.814) 18.848 10.165 ( -2.664 0.585 -2.241) 3.530 10.444 ( 3.735 -1.730 -3.625) 5.485 12.587 ( -30.510 17.020 1.523) 34.969 13.573 ( 19.190 11.434 2.977) 22.536 16.535 ( 7.668 -10.496 -2.902) 13.319 ======================= Grid point 585 (118/213) ======================= q-point: (-0.44 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -13.225 -3.885 0.208) 13.785 2.866 ( -11.797 -1.164 2.421) 12.099 3.549 ( -9.554 7.254 -4.884) 12.952 3.979 ( 5.620 0.490 -7.402) 9.307 4.541 ( -2.764 7.133 -0.750) 7.687 5.306 ( -11.542 -10.301 4.194) 16.029 6.389 ( 1.380 -12.494 -5.900) 13.886 6.711 ( 2.046 -2.153 2.681) 4.001 6.871 ( 8.345 -0.537 3.323) 8.998 9.591 ( -8.397 3.015 -2.394) 9.237 10.084 ( -6.061 -1.773 -3.912) 7.428 10.506 ( 3.787 0.855 -3.236) 5.054 12.179 ( -30.999 10.083 1.908) 32.653 14.096 ( 25.651 13.523 2.859) 29.138 16.581 ( 8.194 -7.977 -3.330) 11.911 ======================= Grid point 586 (119/213) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -16.190 -4.966 -0.005) 16.935 2.626 ( -15.056 -0.576 4.365) 15.686 3.428 ( -10.009 3.679 -4.488) 11.570 4.074 ( 3.824 -0.688 -6.365) 7.457 4.492 ( -12.904 6.491 -1.301) 14.503 5.010 ( -7.317 -9.835 4.294) 12.989 6.307 ( 4.525 -13.093 -11.528) 18.022 6.712 ( -0.455 -2.242 4.283) 4.855 6.889 ( -1.601 -5.865 -11.851) 13.319 9.584 ( 0.600 8.164 11.654) 14.242 9.917 ( -10.203 -3.065 -7.299) 12.914 10.586 ( 3.096 2.728 -3.208) 5.227 11.761 ( -24.921 5.733 3.023) 25.750 14.701 ( 29.052 11.158 3.382) 31.304 16.653 ( 7.394 -5.142 -4.049) 9.875 ======================= Grid point 587 (120/213) ======================= q-point: (-0.31 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -18.005 -4.073 0.755) 18.475 2.332 ( -17.958 -0.772 5.653) 18.843 3.290 ( -8.665 1.433 -4.837) 10.026 4.010 ( -11.143 -7.730 -7.273) 15.389 4.218 ( -21.157 8.779 9.854) 24.936 4.950 ( 7.059 -4.209 -2.451) 8.577 6.291 ( 5.696 -9.674 -15.231) 18.921 6.590 ( -6.108 -8.199 -9.790) 14.155 6.805 ( -0.137 -4.896 -5.127) 7.090 9.673 ( -10.545 -0.998 -10.001) 14.568 9.745 ( 3.187 7.756 16.423) 18.440 10.660 ( 1.569 3.766 -2.870) 4.988 11.468 ( -13.661 3.365 4.846) 14.881 15.300 ( 29.652 5.577 4.436) 30.496 16.717 ( 3.402 -1.938 -5.524) 6.771 ======================= Grid point 595 (121/213) ======================= q-point: ( 0.19 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 9.143 15.391 -0.180) 17.903 2.627 ( 8.426 13.193 4.661) 16.334 3.478 ( 6.565 9.476 -4.114) 12.240 4.021 ( -4.179 1.626 -9.313) 10.336 4.681 ( 15.304 4.997 1.095) 16.137 4.816 ( -4.341 8.627 5.984) 11.361 6.013 ( -16.996 1.988 -13.895) 22.043 6.663 ( -0.113 3.894 2.418) 4.586 6.790 ( -1.587 4.499 -10.085) 11.157 9.764 ( 7.467 -5.036 11.476) 14.588 9.873 ( 4.133 9.304 -6.804) 12.245 10.644 ( 0.183 -5.160 -3.827) 6.427 11.844 ( 14.712 21.477 3.192) 26.228 14.817 ( -15.028 -24.537 3.749) 29.016 16.601 ( -3.578 -7.937 -4.247) 9.687 ======================= Grid point 596 (122/213) ======================= q-point: ( 0.25 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 10.344 12.103 0.395) 15.926 2.879 ( 7.253 9.846 3.295) 12.666 3.702 ( 6.017 13.257 -2.922) 14.849 3.917 ( -5.919 -4.093 -13.346) 15.163 4.646 ( -9.220 5.875 3.687) 11.538 5.151 ( 17.393 6.235 5.391) 19.247 5.806 ( -11.449 7.658 -6.142) 15.081 6.651 ( -1.215 -1.855 4.753) 5.245 6.806 ( -0.588 0.326 -6.477) 6.512 9.880 ( 9.498 -1.603 5.253) 10.972 10.023 ( 3.520 7.329 -4.775) 9.429 10.564 ( -2.589 -6.301 -6.477) 9.400 12.364 ( 14.340 29.243 2.403) 32.658 14.303 ( -19.163 -17.545 3.144) 26.171 16.455 ( -1.101 -12.355 -3.272) 12.828 ======================= Grid point 597 (123/213) ======================= q-point: ( 0.31 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 6.722 7.254 4.333) 10.797 3.087 ( 7.094 7.719 -1.338) 10.569 3.747 ( -7.539 -4.473 -13.261) 15.897 3.950 ( 4.684 15.751 -3.271) 16.755 4.549 ( -10.143 7.886 5.790) 14.092 5.439 ( 12.203 -1.407 1.567) 12.384 5.797 ( 0.032 11.406 5.551) 12.685 6.603 ( -0.827 -3.963 4.655) 6.169 6.768 ( -0.711 -5.023 -1.849) 5.400 10.035 ( 7.725 0.850 -0.300) 7.778 10.144 ( 3.557 4.789 -2.906) 6.635 10.436 ( -4.619 -6.319 -10.796) 13.335 12.862 ( 8.878 26.590 2.442) 28.139 13.840 ( -20.800 -3.008 2.620) 21.179 16.326 ( 2.963 -16.155 -2.365) 16.594 ======================= Grid point 598 (124/213) ======================= q-point: ( 0.38 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 0.984 3.378 6.757) 7.618 3.255 ( 2.979 4.345 -5.145) 7.364 3.594 ( -4.131 -2.343 -13.012) 13.851 4.149 ( -3.373 17.473 -1.810) 17.888 4.468 ( -5.374 5.991 5.473) 9.733 5.551 ( 5.207 -4.935 0.790) 7.217 6.015 ( 11.070 10.047 13.156) 19.914 6.539 ( -1.058 -6.226 4.535) 7.775 6.701 ( 0.485 -6.629 0.800) 6.695 10.125 ( 0.002 0.519 -4.174) 4.206 10.218 ( -1.172 1.727 -4.771) 5.207 10.316 ( 0.507 -4.064 -11.245) 11.967 13.143 ( 5.600 2.593 3.257) 6.978 13.579 ( -22.854 28.310 1.809) 36.428 16.244 ( 7.730 -18.044 -1.761) 19.709 ======================= Grid point 599 (125/213) ======================= q-point: (-0.56 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -4.264 1.115 6.050) 7.485 3.209 ( -8.177 -1.067 -5.794) 10.078 3.621 ( 4.907 3.301 -11.612) 13.031 4.118 ( -13.573 9.562 -0.353) 16.606 4.536 ( 2.143 9.427 3.422) 10.256 5.528 ( -0.317 -8.456 2.088) 8.716 6.324 ( 11.687 5.348 11.091) 16.977 6.441 ( 0.924 -8.557 4.700) 9.807 6.672 ( 2.598 -4.145 3.266) 5.882 9.992 ( -11.291 -1.314 -12.427) 16.842 10.208 ( -1.276 0.786 -4.486) 4.729 10.358 ( 4.354 -0.976 -4.736) 6.507 13.130 ( -7.403 -1.934 3.173) 8.283 13.592 ( -10.803 32.335 1.806) 34.140 16.240 ( 11.284 -15.711 -1.753) 19.423 ======================= Grid point 600 (126/213) ======================= q-point: (-0.50 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -11.067 -1.094 1.582) 11.233 3.041 ( -9.518 -0.217 0.180) 9.522 3.742 ( 1.369 5.742 -11.161) 12.626 3.960 ( -8.582 1.704 -2.133) 9.005 4.653 ( -0.433 9.294 2.652) 9.675 5.370 ( -7.009 -10.004 3.274) 12.646 6.260 ( -1.855 -12.941 -1.514) 13.161 6.605 ( 8.187 -0.631 5.354) 9.803 6.728 ( 7.333 0.272 6.184) 9.596 9.794 ( -10.966 2.831 -7.773) 13.736 10.162 ( -4.240 -0.632 -4.239) 6.029 10.435 ( 4.954 0.376 -4.403) 6.639 12.832 ( -28.937 7.274 2.452) 29.938 13.863 ( 13.620 15.040 2.510) 20.445 16.315 ( 12.016 -10.166 -2.350) 15.914 ======================= Grid point 601 (127/213) ======================= q-point: (-0.44 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -15.444 -1.270 -0.426) 15.502 2.861 ( -11.951 0.422 3.834) 12.558 3.670 ( -12.866 4.248 -4.281) 14.210 3.968 ( 6.527 -1.649 -10.183) 12.207 4.700 ( -3.110 6.731 1.306) 7.529 5.100 ( -13.020 -8.051 5.328) 16.209 6.106 ( 1.025 -15.283 -7.170) 16.912 6.671 ( 2.767 -1.688 4.389) 5.456 6.837 ( 3.158 -2.160 -3.594) 5.249 9.705 ( -5.010 7.804 3.380) 9.870 10.048 ( -7.572 -1.643 -5.483) 9.492 10.535 ( 5.248 1.726 -4.352) 7.033 12.336 ( -33.240 4.929 2.468) 33.694 14.316 ( 24.814 6.530 3.085) 25.844 16.444 ( 10.933 -4.208 -3.268) 12.162 ======================= Grid point 612 (128/213) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 6.342 9.929 1.924) 11.937 3.053 ( 5.901 7.802 0.718) 9.808 3.795 ( -4.120 -6.621 -14.505) 16.468 3.983 ( 8.199 13.830 -0.348) 16.082 4.752 ( -2.201 3.025 5.051) 6.285 5.254 ( 5.540 4.447 2.650) 7.582 5.996 ( -8.361 10.687 0.147) 13.570 6.594 ( -2.494 -3.821 4.595) 6.476 6.739 ( -2.751 -6.584 1.823) 7.365 9.894 ( 9.644 3.336 -2.779) 10.576 10.148 ( 2.156 4.908 -4.761) 7.169 10.443 ( -3.028 -5.532 -6.871) 9.326 12.905 ( 12.882 20.937 2.659) 24.726 14.037 ( -4.055 -6.119 2.534) 7.766 16.200 ( -7.113 -12.873 -2.165) 14.866 ======================= Grid point 613 (129/213) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 2.691 4.867 6.544) 8.587 3.232 ( 5.764 6.878 -5.032) 10.288 3.639 ( -5.446 -5.645 -13.552) 15.658 4.280 ( 7.283 16.402 0.701) 17.960 4.689 ( -9.881 5.389 5.884) 12.700 5.357 ( 7.293 -6.390 0.579) 9.714 6.040 ( 0.111 12.305 7.574) 14.449 6.515 ( -1.972 -4.650 5.487) 7.458 6.624 ( -1.024 -8.723 3.891) 9.606 10.077 ( 6.590 3.457 -5.503) 9.255 10.222 ( 2.050 2.574 -4.709) 5.745 10.326 ( -4.525 -4.434 -10.347) 12.132 13.088 ( 0.302 -2.371 3.090) 3.906 14.133 ( -2.635 29.826 1.883) 30.002 15.958 ( -0.349 -20.753 -1.008) 20.780 ======================= Grid point 614 (130/213) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -1.047 1.895 7.600) 7.902 3.325 ( -3.633 2.810 -7.601) 8.881 3.553 ( 2.683 -1.792 -12.098) 12.521 4.478 ( -12.360 12.472 1.872) 17.659 4.586 ( 1.468 7.652 5.005) 9.261 5.380 ( 5.497 -10.966 0.330) 12.271 6.227 ( 7.356 10.281 10.496) 16.431 6.401 ( -4.710 -7.174 5.635) 10.266 6.566 ( 3.434 -6.382 5.050) 8.834 10.140 ( -5.044 1.048 -8.895) 10.279 10.222 ( -0.740 -0.336 -8.477) 8.516 10.285 ( 3.203 -0.199 -6.035) 6.835 13.054 ( 3.097 -5.169 3.152) 6.801 14.299 ( -20.728 35.784 1.675) 41.388 15.834 ( 12.837 -22.332 -0.448) 25.762 ======================= Grid point 616 (131/213) ======================= q-point: (-0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -5.821 0.196 6.052) 8.399 3.206 ( -9.279 0.771 -5.199) 10.664 3.658 ( 7.666 0.311 -12.906) 15.014 4.257 ( -17.558 4.034 1.353) 18.066 4.733 ( 1.373 7.630 4.950) 9.199 5.335 ( 0.610 -8.004 0.959) 8.085 6.212 ( -6.120 -10.097 3.807) 12.406 6.466 ( 8.960 4.769 7.844) 12.828 6.606 ( 6.295 -1.978 5.938) 8.877 10.005 ( -9.717 2.500 -9.597) 13.884 10.215 ( -2.028 0.229 -5.344) 5.720 10.349 ( 4.759 -0.527 -6.417) 8.006 13.088 ( 1.529 -1.360 3.050) 3.672 14.133 ( -24.221 17.077 1.874) 29.695 15.956 ( 17.983 -9.892 -1.002) 20.549 ======================= Grid point 630 (132/213) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 0.906 1.619 7.936) 8.150 3.366 ( 4.456 6.341 -8.567) 11.552 3.524 ( -4.031 -5.776 -11.515) 13.498 4.578 ( 8.331 12.307 4.194) 15.443 4.737 ( -2.500 -1.649 6.062) 6.761 5.221 ( -2.716 -5.331 -2.294) 6.408 6.270 ( 0.269 10.334 7.450) 12.742 6.409 ( 3.143 -6.873 7.333) 10.530 6.464 ( -5.548 -5.266 7.091) 10.430 10.162 ( 3.795 4.529 -8.675) 10.497 10.239 ( 1.499 -0.969 -6.890) 7.117 10.262 ( -3.734 -1.907 -8.611) 9.577 12.998 ( -2.055 -3.480 3.004) 5.036 14.775 ( 16.947 29.275 1.450) 33.857 15.501 ( -13.468 -23.320 0.314) 26.931 ======================= Grid point 813 (133/213) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.000 -0.000 14.567) 14.567 1.565 ( 0.000 0.000 14.567) 14.567 2.300 ( 0.000 0.000 24.903) 24.903 2.886 ( 0.000 -0.000 -5.561) 5.561 2.886 ( 0.000 0.000 -5.561) 5.561 5.091 ( -0.000 -0.000 -14.056) 14.056 7.057 ( -0.000 -0.000 24.807) 24.807 7.057 ( 0.000 0.000 24.807) 24.807 8.647 ( 0.000 -0.000 -27.136) 27.136 8.647 ( 0.000 0.000 -27.136) 27.136 10.569 ( -0.000 0.000 -1.951) 1.951 11.137 ( -0.000 0.000 1.847) 1.847 11.606 ( 0.000 -0.000 4.903) 4.903 11.606 ( 0.000 0.000 4.903) 4.903 17.687 ( -0.000 0.000 0.414) 0.414 ======================= Grid point 814 (134/213) ======================= q-point: ( 0.06 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 3.428 1.979 15.045) 15.557 1.741 ( 3.373 1.948 21.329) 21.682 2.162 ( 3.803 2.196 3.864) 5.849 2.922 ( 2.144 1.238 -5.982) 6.474 3.198 ( 20.103 11.606 5.233) 23.795 5.013 ( -5.340 -3.083 -12.363) 13.815 6.762 ( -24.671 -14.244 26.119) 38.649 6.960 ( -4.052 -2.339 24.023) 24.474 7.800 ( -47.578 -27.469 -26.873) 61.158 8.748 ( 5.232 3.021 -26.040) 26.731 10.390 ( -10.894 -6.289 8.045) 14.932 10.622 ( 3.129 1.806 -1.936) 4.099 11.572 ( -2.754 -1.590 4.840) 5.791 13.720 ( 97.305 56.179 -13.311) 113.144 17.428 ( -19.904 -11.491 1.261) 23.017 ======================= Grid point 815 (135/213) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -3.543 -2.046 15.263) 15.802 1.728 ( 9.040 5.219 13.101) 16.751 2.613 ( 25.733 14.857 -1.161) 29.737 2.980 ( 2.777 1.603 -6.061) 6.857 3.674 ( 20.499 11.835 9.918) 25.664 4.932 ( -0.551 -0.318 -11.372) 11.390 6.224 ( -18.081 -10.439 14.700) 25.534 6.849 ( -35.704 -20.614 -25.604) 48.531 6.880 ( -2.796 -1.614 20.294) 20.549 8.888 ( 6.975 4.027 -22.366) 23.772 10.291 ( -1.372 -0.792 5.969) 6.176 10.707 ( 3.497 2.019 -1.027) 4.166 11.495 ( -3.472 -2.004 4.425) 5.971 15.459 ( 50.939 29.410 -8.584) 59.442 16.905 ( -22.470 -12.973 -0.407) 25.949 ======================= Grid point 816 (136/213) ======================= q-point: ( 0.19 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 8.383 4.840 6.929) 11.904 1.989 ( 13.117 7.573 9.822) 18.053 3.045 ( 2.748 1.586 -5.889) 6.690 3.171 ( 20.950 12.095 -1.580) 24.242 4.153 ( 21.177 12.226 9.650) 26.288 4.942 ( -1.002 -0.579 -7.669) 7.755 5.967 ( -6.254 -3.611 -3.745) 8.135 6.137 ( -22.875 -13.207 -13.438) 29.635 6.831 ( -1.496 -0.864 14.679) 14.780 9.079 ( 9.769 5.640 -16.537) 20.018 10.270 ( -0.626 -0.362 6.070) 6.113 10.762 ( 0.883 0.510 -2.696) 2.883 11.433 ( -1.424 -0.822 3.475) 3.844 15.952 ( -10.670 -6.161 4.839) 13.237 16.640 ( 5.024 2.901 -8.226) 10.066 ======================= Grid point 817 (137/213) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 16.253 9.384 2.699) 18.961 2.312 ( 14.327 8.271 6.785) 17.880 3.103 ( 2.206 1.274 -5.646) 6.194 3.543 ( 11.040 6.374 -1.286) 12.813 4.595 ( 10.590 6.114 -3.883) 12.830 4.881 ( 2.179 1.258 7.889) 8.280 5.598 ( -14.431 -8.332 -8.710) 18.803 6.138 ( 10.767 6.216 -5.844) 13.737 6.806 ( -0.771 -0.445 8.800) 8.845 9.339 ( 12.377 7.146 -9.558) 17.194 10.264 ( 0.222 0.128 6.355) 6.361 10.733 ( -3.537 -2.042 -6.345) 7.546 11.446 ( 2.894 1.671 1.935) 3.861 15.440 ( -27.270 -15.744 3.838) 31.722 16.787 ( 3.574 2.064 -5.096) 6.558 ======================= Grid point 818 (138/213) ======================= q-point: ( 0.31 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 20.459 11.812 2.101) 23.717 2.630 ( 12.808 7.395 4.852) 15.566 3.145 ( 1.399 0.807 -5.542) 5.772 3.685 ( 1.385 0.799 -2.900) 3.312 4.504 ( -8.765 -5.060 -2.951) 10.542 5.142 ( 8.772 5.064 -3.089) 10.589 5.511 ( 9.686 5.592 14.870) 18.606 6.419 ( 11.838 6.835 -8.163) 15.921 6.792 ( -0.448 -0.259 4.439) 4.469 9.629 ( 12.145 7.012 -3.297) 14.406 10.287 ( 1.928 1.113 5.168) 5.628 10.595 ( -8.412 -4.857 -10.813) 14.536 11.572 ( 7.803 4.505 0.202) 9.012 14.778 ( -29.166 -16.839 2.868) 33.800 16.805 ( -1.178 -0.680 -3.684) 3.927 ======================= Grid point 819 (139/213) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 9.120 5.265 4.432) 11.425 2.902 ( 20.065 11.585 1.982) 23.254 3.170 ( 0.832 0.481 -5.962) 6.039 3.623 ( -6.013 -3.472 -6.586) 9.570 4.342 ( -4.634 -2.676 2.240) 5.801 5.300 ( 8.186 4.726 0.377) 9.460 5.884 ( 18.079 10.438 18.793) 28.089 6.645 ( 7.351 4.244 -6.900) 10.939 6.784 ( -0.319 -0.184 2.295) 2.324 9.877 ( 8.991 5.191 0.514) 10.394 10.340 ( -6.282 -3.627 -15.681) 17.278 10.366 ( -2.340 -1.351 2.773) 3.872 11.786 ( 9.933 5.735 -0.826) 11.500 14.128 ( -26.137 -15.090 2.851) 30.315 16.764 ( -1.972 -1.139 -3.283) 3.996 ======================= Grid point 820 (140/213) ======================= q-point: ( 0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 2.752 1.589 5.216) 6.108 3.198 ( 1.980 1.143 -6.801) 7.175 3.301 ( 12.590 7.269 3.271) 14.901 3.455 ( -6.506 -3.756 -10.401) 12.830 4.286 ( -0.578 -0.334 2.735) 2.815 5.526 ( 10.021 5.786 4.730) 12.501 6.283 ( 16.323 9.424 18.730) 26.572 6.757 ( 2.567 1.482 -4.422) 5.323 6.776 ( -0.373 -0.216 1.839) 1.889 10.031 ( -14.654 -8.460 -20.257) 26.394 10.041 ( 5.206 3.006 1.563) 6.212 10.451 ( 3.779 2.182 1.510) 4.618 11.987 ( 6.557 3.786 -0.777) 7.611 13.626 ( -15.912 -9.187 3.114) 18.636 16.724 ( -1.342 -0.775 -2.990) 3.367 ======================= Grid point 821 (141/213) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( -2.325 -1.342 4.614) 5.338 3.238 ( -8.082 -4.666 0.607) 9.352 3.247 ( 1.574 0.909 -5.707) 5.989 3.580 ( 7.736 4.466 -8.074) 12.040 4.304 ( 1.851 1.069 0.579) 2.214 5.688 ( 2.767 1.597 3.209) 4.528 6.615 ( 9.923 5.729 11.221) 16.038 6.767 ( -0.396 -0.228 2.108) 2.157 6.793 ( 2.472 1.427 1.761) 3.354 9.702 ( -12.671 -7.315 -17.490) 22.802 10.120 ( 1.618 0.934 0.742) 2.010 10.509 ( 1.037 0.599 0.132) 1.205 12.056 ( -0.976 -0.564 -0.086) 1.131 13.445 ( 0.872 0.504 2.642) 2.828 16.704 ( -0.439 -0.254 -2.607) 2.656 ======================= Grid point 823 (142/213) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( -5.259 -3.036 5.224) 8.010 3.039 ( -9.545 -5.511 3.131) 11.457 3.257 ( -0.716 -0.413 -5.513) 5.574 3.721 ( 5.246 3.029 -10.078) 11.758 4.352 ( 1.765 1.019 -1.206) 2.368 5.635 ( -7.095 -4.096 0.787) 8.231 6.643 ( -3.921 -2.264 -2.463) 5.154 6.762 ( 0.081 0.047 2.383) 2.385 6.914 ( 3.053 1.763 0.718) 3.598 9.507 ( -2.919 -1.685 -3.480) 4.845 10.111 ( -2.547 -1.471 -1.188) 3.172 10.507 ( -0.751 -0.434 -0.689) 1.108 11.943 ( -8.375 -4.835 0.955) 9.718 13.657 ( 16.632 9.602 1.703) 19.280 16.705 ( 0.603 0.348 -2.226) 2.332 ======================= Grid point 824 (143/213) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -13.440 -7.759 3.539) 15.917 2.784 ( -8.089 -4.670 6.134) 11.174 3.219 ( -2.391 -1.380 -5.514) 6.166 3.850 ( 5.966 3.444 -11.127) 13.087 4.363 ( -1.116 -0.644 -0.480) 1.375 5.394 ( -12.647 -7.302 -0.379) 14.609 6.518 ( -6.275 -3.623 -4.767) 8.673 6.777 ( 1.388 0.801 2.498) 2.968 6.832 ( -9.842 -5.682 -17.529) 20.891 9.582 ( 8.477 4.894 13.660) 16.805 9.989 ( -8.376 -4.836 -3.931) 10.440 10.494 ( -0.138 -0.080 -1.782) 1.789 11.707 ( -10.952 -6.323 2.376) 12.867 14.163 ( 25.959 14.987 1.335) 30.005 16.731 ( 1.481 0.855 -1.968) 2.607 ======================= Grid point 825 (144/213) ======================= q-point: (-0.31 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -16.936 -9.778 1.573) 19.619 2.568 ( -10.457 -6.038 6.614) 13.768 3.152 ( -3.285 -1.897 -5.094) 6.351 3.954 ( 0.581 0.336 -12.640) 12.658 4.297 ( -3.969 -2.292 6.078) 7.613 5.116 ( -9.685 -5.592 -0.641) 11.202 6.370 ( -7.384 -4.263 -6.674) 10.827 6.523 ( -13.898 -8.024 -28.701) 32.883 6.831 ( 3.291 1.900 2.881) 4.769 9.718 ( -14.836 -8.565 -7.032) 18.518 9.829 ( 11.318 6.535 20.587) 24.385 10.507 ( 1.324 0.764 -2.266) 2.734 11.487 ( -7.259 -4.191 3.813) 9.208 14.814 ( 29.612 17.096 1.438) 34.223 16.760 ( 0.575 0.332 -1.966) 2.075 ======================= Grid point 826 (145/213) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -16.648 -9.612 0.906) 19.245 2.311 ( -11.531 -6.658 6.950) 15.020 3.071 ( -3.617 -2.088 -4.498) 6.138 3.751 ( -17.634 -10.181 -8.372) 22.016 4.219 ( -4.268 -2.464 11.583) 12.588 5.006 ( 0.020 0.012 -3.004) 3.004 6.050 ( -16.151 -9.325 -18.020) 25.933 6.422 ( 3.646 2.105 -22.376) 22.769 6.927 ( 4.860 2.806 4.435) 7.152 9.334 ( -17.370 -10.028 -10.041) 22.430 10.049 ( 6.946 4.010 18.394) 20.066 10.560 ( 3.290 1.899 -0.797) 3.881 11.386 ( -1.512 -0.873 4.542) 4.865 15.506 ( 29.854 17.236 1.508) 34.505 16.716 ( -5.670 -3.274 -2.612) 7.049 ======================= Grid point 827 (146/213) ======================= q-point: (-0.19 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -10.192 -5.884 5.104) 12.828 2.048 ( -10.872 -6.277 7.803) 14.781 2.990 ( -3.345 -1.931 -4.168) 5.683 3.231 ( -25.802 -14.897 -1.366) 29.825 4.031 ( -12.059 -6.962 11.130) 17.827 5.018 ( -1.735 -1.002 -8.558) 8.790 5.817 ( -0.825 -0.476 -9.302) 9.350 6.647 ( 15.889 9.173 -23.565) 29.865 7.042 ( 4.754 2.745 8.311) 9.960 8.959 ( -14.211 -8.205 -13.854) 21.476 10.150 ( 2.404 1.388 13.087) 13.378 10.643 ( 3.216 1.856 1.037) 3.855 11.403 ( 2.583 1.491 4.694) 5.561 16.183 ( 27.926 16.123 -0.335) 32.248 16.419 ( -21.668 -12.510 -3.418) 25.253 ======================= Grid point 828 (147/213) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 2.074 1.197 14.671) 14.865 1.820 ( -8.718 -5.033 9.642) 13.939 2.612 ( -26.333 -15.203 1.720) 30.455 2.922 ( -2.356 -1.360 -4.334) 5.117 3.677 ( -18.141 -10.474 8.569) 22.632 4.951 ( -1.129 -0.652 -11.958) 12.028 6.034 ( 18.158 10.483 8.516) 22.630 7.126 ( 2.101 1.213 14.917) 15.113 7.156 ( 28.121 16.235 -24.955) 40.953 8.704 ( -7.554 -4.361 -19.435) 21.302 10.197 ( 2.607 1.505 10.034) 10.476 10.680 ( -0.336 -0.194 0.174) 0.425 11.486 ( 4.073 2.351 4.723) 6.665 15.541 ( -55.747 -32.186 -12.458) 65.566 16.843 ( 27.455 15.851 2.708) 31.818 ======================= Grid point 829 (148/213) ======================= q-point: (-0.06 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 544 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -5.643 -3.258 12.266) 13.889 1.674 ( -2.701 -1.560 21.381) 21.607 2.179 ( -3.700 -2.136 6.593) 7.856 2.885 ( -0.801 -0.462 -4.907) 4.993 3.220 ( -20.302 -11.721 3.849) 23.756 5.014 ( 5.179 2.990 -12.365) 13.736 6.605 ( 28.645 16.538 24.398) 41.101 7.129 ( -1.775 -1.025 21.647) 21.744 7.959 ( 41.285 23.836 -25.660) 54.139 8.611 ( -0.767 -0.443 -24.894) 24.909 10.340 ( 13.149 7.591 9.401) 17.858 10.635 ( -2.667 -1.540 -1.598) 3.470 11.571 ( 2.895 1.671 4.810) 5.858 13.741 ( -98.788 -57.035 -14.276) 114.960 17.421 ( 20.790 12.003 1.613) 24.061 ======================= Grid point 831 (149/213) ======================= q-point: ( 0.06 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -0.792 -4.148 17.174) 17.686 1.734 ( 0.504 7.582 12.935) 15.002 2.448 ( 13.814 23.674 -0.130) 27.410 2.947 ( 4.158 2.545 -4.951) 6.948 3.549 ( 10.684 19.809 8.388) 24.019 4.946 ( -1.403 -1.562 -11.633) 11.820 6.237 ( -5.838 -25.599 15.696) 30.590 7.032 ( -10.327 1.508 17.861) 20.686 7.204 ( -29.451 -27.970 -23.871) 47.112 8.756 ( 10.036 1.622 -22.890) 25.046 10.276 ( 2.200 -3.781 8.512) 9.571 10.663 ( 1.160 1.517 -1.205) 2.258 11.519 ( -1.723 -3.492 4.682) 6.090 15.131 ( 35.984 67.277 -12.710) 77.347 17.028 ( -13.189 -26.090 1.547) 29.275 ======================= Grid point 832 (150/213) ======================= q-point: ( 0.12 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 3.848 3.339 9.154) 10.476 1.907 ( 7.341 11.659 10.607) 17.387 2.916 ( 12.759 9.907 -4.184) 16.687 3.109 ( 8.290 15.866 -2.787) 18.117 3.953 ( 15.987 14.604 10.655) 24.133 4.952 ( 0.103 1.849 -10.233) 10.399 5.972 ( -2.323 -10.219 3.343) 11.000 6.443 ( -28.227 -18.549 -21.884) 40.246 6.918 ( -7.143 2.512 16.113) 17.803 8.962 ( 10.033 5.252 -18.734) 21.891 10.276 ( -0.056 -1.135 7.850) 7.932 10.709 ( 3.520 -1.370 -1.651) 4.122 11.458 ( -1.853 -1.462 4.065) 4.701 16.018 ( 7.753 19.234 0.111) 20.738 16.583 ( -4.792 -15.456 -5.205) 16.998 ======================= Grid point 833 (151/213) ======================= q-point: ( 0.19 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 11.572 9.545 3.565) 15.418 2.194 ( 11.109 12.382 7.744) 18.349 3.083 ( 3.892 3.680 -5.690) 7.814 3.478 ( 9.044 16.270 -1.638) 18.686 4.399 ( 19.356 11.425 6.318) 23.348 4.907 ( -4.519 -3.112 -1.745) 5.758 5.825 ( -19.294 -7.846 -14.542) 25.403 6.036 ( 5.776 2.975 -5.959) 8.816 6.845 ( -3.641 0.967 10.824) 11.461 9.216 ( 11.089 8.756 -12.680) 18.985 10.257 ( -0.234 -1.579 7.916) 8.075 10.730 ( 0.782 -3.153 -4.201) 5.310 11.449 ( 0.614 2.938 2.783) 4.093 15.733 ( -24.104 -15.420 4.678) 28.994 16.684 ( 8.979 0.580 -6.426) 11.057 ======================= Grid point 834 (152/213) ======================= q-point: ( 0.25 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 17.256 11.338 1.757) 20.722 2.515 ( 11.440 11.591 5.463) 17.178 3.173 ( 1.010 6.329 -5.444) 8.409 3.687 ( 1.827 6.648 -2.074) 7.200 4.604 ( -6.052 -2.792 -6.367) 9.217 4.983 ( 15.770 7.050 7.685) 18.906 5.525 ( -7.496 1.279 0.817) 7.648 6.286 ( 11.882 8.432 -9.445) 17.364 6.804 ( -1.563 -0.274 6.073) 6.277 9.509 ( 11.348 9.907 -6.333) 16.341 10.248 ( 1.660 -2.156 7.218) 7.714 10.657 ( -4.501 -5.283 -8.188) 10.734 11.554 ( 4.215 9.972 1.088) 10.881 15.106 ( -27.926 -17.518 3.189) 33.119 16.758 ( 2.960 -4.871 -4.035) 6.984 ======================= Grid point 835 (153/213) ======================= q-point: ( 0.31 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 19.646 9.168 1.562) 21.737 2.805 ( 9.398 9.457 4.383) 14.034 3.251 ( -1.239 10.228 -5.259) 11.568 3.685 ( -4.412 -1.438 -5.252) 7.008 4.437 ( -7.866 -0.783 0.406) 7.915 5.240 ( 6.152 5.915 -3.413) 9.191 5.672 ( 15.509 8.786 18.308) 25.552 6.549 ( 9.157 5.874 -8.668) 13.909 6.782 ( -0.380 -1.040 3.221) 3.406 9.783 ( 9.289 8.044 -1.563) 12.387 10.278 ( 4.370 -2.267 4.408) 6.608 10.471 ( -9.445 -7.222 -12.324) 17.124 11.785 ( 5.764 17.587 -0.248) 18.509 14.442 ( -28.084 -16.693 2.753) 32.786 16.728 ( 1.249 -6.775 -3.309) 7.642 ======================= Grid point 836 (154/213) ======================= q-point: ( 0.38 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 8.810 4.717 3.599) 10.622 3.032 ( 10.850 3.685 0.249) 11.462 3.361 ( -0.232 15.888 -3.849) 16.349 3.538 ( -7.577 -4.975 -8.056) 12.127 4.341 ( -4.488 2.508 3.067) 5.987 5.431 ( 8.361 7.699 2.653) 11.672 6.062 ( 18.292 7.272 18.724) 27.167 6.707 ( 4.693 1.750 -6.165) 7.944 6.768 ( 0.211 -1.455 2.255) 2.692 9.982 ( 6.038 5.047 0.639) 7.895 10.191 ( -12.991 -8.125 -18.839) 24.283 10.354 ( 6.252 -2.430 3.519) 7.575 12.066 ( 2.145 22.576 -0.600) 22.685 13.841 ( -22.193 -13.558 2.962) 26.175 16.683 ( 1.629 -6.772 -2.973) 7.574 ======================= Grid point 837 (155/213) ======================= q-point: ( 0.44 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( -1.315 2.369 5.022) 5.706 3.199 ( 4.715 0.691 -3.045) 5.655 3.351 ( -7.357 -2.737 -4.374) 8.986 3.552 ( 3.087 12.094 -6.582) 14.110 4.323 ( -1.333 3.801 1.971) 4.485 5.635 ( 6.267 4.283 3.766) 8.473 6.433 ( 16.446 5.425 17.356) 24.519 6.752 ( 1.304 -2.122 0.329) 2.513 6.764 ( 0.808 -0.820 -0.779) 1.390 9.868 ( -14.217 -7.270 -19.184) 24.960 10.098 ( 2.805 2.512 0.650) 3.821 10.432 ( 5.419 -3.441 0.578) 6.445 12.262 ( -7.447 23.146 -0.193) 24.315 13.464 ( -7.359 -7.128 2.975) 10.668 16.653 ( 2.466 -6.259 -2.621) 7.220 ======================= Grid point 838 (156/213) ======================= q-point: (-0.50 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -5.939 -1.074 3.964) 7.221 3.142 ( -6.705 -3.567 2.219) 7.912 3.311 ( -1.471 5.163 -5.809) 7.910 3.683 ( 2.283 5.417 -8.269) 10.146 4.362 ( 0.400 4.619 -0.218) 4.641 5.685 ( -2.227 -2.176 1.815) 3.604 6.627 ( 1.613 -3.884 2.390) 4.838 6.760 ( 0.669 -1.557 -0.366) 1.733 6.818 ( 8.072 1.371 7.853) 11.345 9.597 ( -9.452 -2.648 -11.332) 14.993 10.131 ( -0.641 0.018 -0.604) 0.881 10.465 ( 2.873 -4.009 -0.640) 4.973 12.239 ( -18.167 16.935 0.718) 24.847 13.483 ( 11.234 3.683 2.098) 12.007 16.644 ( 3.379 -5.593 -2.265) 6.916 ======================= Grid point 839 (157/213) ======================= q-point: (-0.44 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( -8.840 -6.194 3.343) 11.300 2.970 ( -10.495 -1.304 5.293) 11.826 3.310 ( -5.122 5.555 -5.039) 9.082 3.776 ( 4.926 2.220 -10.413) 11.731 4.405 ( -1.295 4.343 -1.119) 4.667 5.525 ( -10.196 -6.816 0.398) 12.271 6.534 ( -3.265 -8.283 -1.905) 9.105 6.763 ( 1.094 -0.488 0.606) 1.343 6.881 ( -1.649 -4.362 -7.507) 8.837 9.537 ( 1.827 4.520 5.400) 7.276 10.067 ( -5.284 -2.952 -2.694) 6.625 10.470 ( 1.875 -2.304 -1.756) 3.451 12.007 ( -22.187 9.177 1.773) 24.076 13.875 ( 22.922 12.281 1.448) 26.045 16.659 ( 4.355 -4.809 -2.022) 6.796 ======================= Grid point 840 (158/213) ======================= q-point: (-0.38 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -13.183 -9.325 2.532) 16.345 2.750 ( -13.335 -1.201 5.851) 14.612 3.250 ( -6.918 3.801 -4.814) 9.245 3.900 ( 6.158 1.422 -10.986) 12.674 4.388 ( -5.339 3.365 1.177) 6.420 5.240 ( -12.283 -8.004 0.270) 14.663 6.381 ( -3.051 -9.811 -5.259) 11.542 6.674 ( -12.414 -9.095 -22.384) 27.164 6.799 ( 2.174 1.057 2.427) 3.425 9.713 ( 9.228 7.473 16.979) 20.719 9.880 ( -11.243 -5.392 -4.952) 13.417 10.492 ( 1.773 0.355 -2.693) 3.244 11.707 ( -18.837 4.547 2.986) 19.607 14.472 ( 28.557 15.582 1.483) 32.566 16.695 ( 4.604 -4.213 -1.986) 6.549 ======================= Grid point 841 (159/213) ======================= q-point: (-0.31 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -16.578 -9.136 0.963) 18.953 2.490 ( -14.305 -2.466 6.250) 15.804 3.156 ( -6.788 1.551 -4.615) 8.354 3.925 ( -6.654 -2.499 -11.425) 13.456 4.300 ( -6.880 2.485 9.071) 11.654 5.014 ( -4.354 -4.770 -0.694) 6.496 6.233 ( -8.434 -8.074 -8.901) 14.682 6.348 ( -6.575 -9.755 -27.392) 29.812 6.870 ( 4.251 1.608 3.360) 5.652 9.552 ( -17.091 -7.286 -8.294) 20.346 9.968 ( 8.842 6.930 19.232) 22.273 10.539 ( 2.036 2.445 -2.398) 3.984 11.487 ( -10.153 2.809 3.973) 11.259 15.144 ( 30.425 15.200 1.778) 34.057 16.713 ( 1.527 -4.568 -2.367) 5.367 ======================= Grid point 842 (160/213) ======================= q-point: (-0.25 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -14.896 -6.167 2.123) 16.261 2.213 ( -13.968 -3.427 7.182) 16.076 3.050 ( -6.021 -0.545 -4.573) 7.580 3.594 ( -24.312 -4.948 -4.972) 25.303 4.179 ( -9.921 -0.970 11.806) 15.452 4.995 ( 2.954 -1.336 -4.509) 5.554 5.921 ( -12.839 -3.086 -15.218) 20.149 6.369 ( 14.504 -7.377 -21.419) 26.899 6.969 ( 5.370 0.599 6.490) 8.444 9.175 ( -17.678 -5.154 -11.949) 21.951 10.138 ( 3.863 4.909 15.281) 16.508 10.608 ( 2.682 2.624 -0.670) 3.811 11.412 ( -1.981 2.457 4.382) 5.400 15.813 ( 30.578 12.372 2.265) 33.064 16.604 ( -9.658 -6.555 -4.040) 12.352 ======================= Grid point 843 (161/213) ======================= q-point: (-0.19 0.06 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -6.018 -1.232 8.356) 10.371 1.948 ( -12.026 -3.885 9.166) 15.612 2.903 ( -12.942 -4.642 -3.759) 14.254 3.105 ( -22.479 0.360 -1.342) 22.522 3.920 ( -17.146 -3.015 10.626) 20.396 4.980 ( -2.881 -1.987 -10.680) 11.238 5.876 ( 7.531 5.175 -1.121) 9.206 6.674 ( 28.013 -6.319 -23.291) 36.975 7.048 ( 4.842 -3.368 12.393) 13.725 8.879 ( -12.984 0.704 -17.121) 21.499 10.217 ( 0.529 4.669 11.007) 11.967 10.664 ( 1.377 0.697 -0.200) 1.557 11.446 ( 2.646 1.970 4.540) 5.612 16.154 ( -33.107 -11.097 -5.275) 35.313 16.454 ( 28.792 9.835 -0.114) 30.426 ======================= Grid point 848 (162/213) ======================= q-point: ( 0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 6.353 11.865 3.415) 13.885 2.170 ( 7.315 14.147 7.764) 17.718 3.051 ( 4.741 6.270 -5.280) 9.470 3.524 ( 8.765 21.305 -2.896) 23.219 4.219 ( 13.212 11.413 10.473) 20.359 4.955 ( -4.057 -2.253 -4.879) 6.733 5.918 ( 5.238 5.429 -9.605) 12.213 6.153 ( -20.302 -9.343 -18.920) 29.282 6.932 ( -5.376 -1.309 9.942) 11.378 9.141 ( 9.172 12.747 -13.649) 20.807 10.225 ( 1.047 -4.309 11.664) 12.478 10.666 ( 2.245 -2.808 -2.352) 4.296 11.452 ( 2.103 1.606 3.685) 4.537 15.921 ( -17.105 -22.997 4.819) 29.063 16.551 ( 7.696 6.808 -6.874) 12.362 ======================= Grid point 849 (163/213) ======================= q-point: ( 0.19 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 11.323 13.550 1.289) 17.706 2.463 ( 9.492 13.946 5.890) 17.868 3.201 ( 4.295 7.892 -5.142) 10.352 3.761 ( 0.078 10.471 -3.324) 10.987 4.579 ( 12.363 6.018 -0.740) 13.770 4.857 ( 0.011 0.283 6.019) 6.026 5.748 ( -15.642 0.705 -7.832) 17.507 6.191 ( 9.884 11.173 -13.839) 20.348 6.842 ( -3.431 -1.336 6.602) 7.560 9.439 ( 9.734 13.170 -8.805) 18.594 10.188 ( 1.047 -5.440 11.004) 12.320 10.648 ( -0.719 -4.897 -5.507) 7.404 11.579 ( 5.857 10.816 2.205) 12.496 15.357 ( -21.858 -21.585 3.477) 30.916 16.644 ( 2.970 -4.470 -4.261) 6.853 ======================= Grid point 850 (164/213) ======================= q-point: ( 0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 14.987 12.163 0.928) 19.324 2.754 ( 8.715 11.776 4.741) 15.398 3.358 ( 2.603 11.667 -5.030) 12.969 3.761 ( -5.181 0.049 -5.146) 7.302 4.583 ( -7.398 2.148 -1.595) 7.867 5.118 ( 15.446 6.328 2.464) 16.873 5.630 ( -1.957 8.423 7.597) 11.510 6.461 ( 8.723 8.450 -12.262) 17.259 6.784 ( -1.599 -1.800 4.147) 4.796 9.721 ( 8.466 10.659 -4.313) 14.279 10.170 ( 3.497 -5.511 8.504) 10.720 10.532 ( -5.803 -6.938 -9.489) 13.109 11.872 ( 8.458 21.882 0.809) 23.474 14.740 ( -25.504 -18.972 2.801) 31.910 16.608 ( 1.989 -9.549 -3.250) 10.282 ======================= Grid point 851 (165/213) ======================= q-point: ( 0.31 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 14.577 8.265 0.408) 16.762 2.984 ( 5.898 8.235 4.257) 10.987 3.528 ( 1.093 15.382 -6.124) 16.592 3.620 ( -7.539 -3.839 -6.004) 10.375 4.490 ( -7.697 5.733 2.474) 9.911 5.374 ( 8.135 6.445 -1.271) 10.456 5.841 ( 13.664 8.417 17.891) 24.034 6.641 ( 5.285 3.084 -9.101) 10.967 6.748 ( -0.298 -2.268 3.260) 3.982 9.936 ( 6.071 6.797 -1.482) 9.234 10.203 ( 6.046 -4.665 3.427) 8.370 10.318 ( -9.958 -7.706 -12.683) 17.872 12.274 ( 6.502 30.214 0.220) 30.906 14.118 ( -25.521 -15.163 2.657) 29.804 16.545 ( 3.137 -11.299 -2.717) 12.037 ======================= Grid point 852 (166/213) ======================= q-point: ( 0.38 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 7.833 4.532 2.002) 9.269 3.121 ( 3.289 4.729 1.345) 5.915 3.434 ( -7.026 -4.914 -8.275) 11.915 3.711 ( -1.408 18.460 -4.038) 18.949 4.430 ( -5.639 5.867 3.043) 8.688 5.566 ( 7.043 4.529 1.845) 8.574 6.187 ( 16.940 5.702 18.418) 25.665 6.709 ( 1.231 -1.755 -3.351) 3.978 6.727 ( 1.394 -2.371 1.449) 3.109 10.031 ( -10.725 -5.455 -15.022) 19.247 10.077 ( 1.444 2.220 -3.168) 4.129 10.282 ( 6.975 -4.067 1.752) 8.262 12.658 ( -0.887 34.633 0.271) 34.645 13.591 ( -18.884 -10.721 2.833) 21.899 16.497 ( 4.767 -11.745 -2.281) 12.879 ======================= Grid point 853 (167/213) ======================= q-point: ( 0.44 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -4.834 1.074 3.712) 6.188 3.194 ( -1.877 -1.151 0.959) 2.401 3.350 ( 1.632 2.745 -8.528) 9.107 3.813 ( -6.119 13.819 -4.614) 15.802 4.427 ( -1.530 6.427 1.483) 6.771 5.669 ( 2.073 -1.498 1.969) 3.228 6.497 ( 11.869 0.916 11.630) 16.642 6.674 ( 1.110 -5.519 2.199) 6.044 6.750 ( 2.747 -0.450 1.550) 3.186 9.761 ( -12.056 -2.859 -14.638) 19.178 10.133 ( 0.946 0.821 -1.201) 1.735 10.349 ( 5.198 -4.172 -0.864) 6.721 12.851 ( -20.846 33.145 0.786) 39.163 13.343 ( 4.024 -4.134 2.482) 6.280 16.476 ( 6.171 -11.314 -1.943) 13.033 ======================= Grid point 855 (168/213) ======================= q-point: (-0.50 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -9.624 -3.335 1.358) 10.275 3.110 ( -6.479 -0.020 4.792) 8.059 3.438 ( 0.666 6.375 -6.866) 9.392 3.795 ( -5.674 5.792 -6.409) 10.336 4.488 ( -0.863 8.036 -0.228) 8.085 5.597 ( -5.459 -6.663 1.377) 8.723 6.497 ( -2.948 -8.671 2.269) 9.435 6.699 ( 4.351 -3.853 -0.960) 5.890 6.824 ( 4.028 -1.166 1.972) 4.634 9.608 ( -4.923 3.682 -3.200) 6.931 10.115 ( -2.814 -1.545 -2.398) 4.007 10.388 ( 4.061 -3.205 -2.521) 5.755 12.621 ( -30.628 18.094 1.753) 35.617 13.620 ( 19.043 10.866 1.551) 21.980 16.486 ( 7.168 -9.943 -1.812) 12.391 ======================= Grid point 856 (169/213) ======================= q-point: (-0.44 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -12.633 -5.116 1.691) 13.734 2.959 ( -10.953 -0.079 5.513) 12.262 3.448 ( -7.924 7.136 -4.467) 11.561 3.803 ( 4.125 0.405 -9.461) 10.329 4.531 ( -4.045 8.286 -0.436) 9.231 5.365 ( -11.249 -8.949 1.530) 14.455 6.323 ( -4.057 -12.463 -0.650) 13.123 6.713 ( 0.158 -4.780 -9.871) 10.968 6.796 ( -2.594 -2.800 -2.540) 4.585 9.672 ( 4.365 8.327 10.299) 13.945 10.000 ( -7.672 -3.410 -3.953) 9.280 10.438 ( 4.176 -0.924 -3.904) 5.791 12.223 ( -30.556 10.587 2.268) 32.418 14.143 ( 25.832 13.781 1.588) 29.321 16.525 ( 7.664 -7.922 -1.947) 11.193 ======================= Grid point 857 (170/213) ======================= q-point: (-0.38 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -15.861 -5.638 1.156) 16.873 2.734 ( -14.534 -0.385 5.474) 15.535 3.335 ( -10.363 3.879 -4.214) 11.840 3.903 ( 5.300 -1.211 -9.438) 10.892 4.506 ( -8.518 8.236 1.717) 11.973 5.076 ( -10.299 -8.183 2.443) 13.379 6.137 ( -1.075 -14.139 -5.331) 15.149 6.509 ( -13.670 -6.470 -21.190) 26.034 6.810 ( 3.490 -0.065 3.066) 4.647 9.759 ( -12.217 -3.537 -4.627) 13.535 9.895 ( 6.878 7.481 14.808) 17.959 10.512 ( 3.943 1.469 -4.322) 6.032 11.823 ( -23.634 5.696 2.861) 24.478 14.758 ( 29.493 11.843 2.041) 31.847 16.586 ( 6.690 -5.626 -2.384) 9.060 ======================= Grid point 858 (171/213) ======================= q-point: (-0.31 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -16.927 -3.889 0.909) 17.391 2.459 ( -16.195 -0.722 6.020) 17.293 3.188 ( -9.196 1.295 -4.641) 10.382 3.861 ( -9.247 -4.163 -7.138) 12.401 4.401 ( -12.534 7.731 7.523) 16.537 4.920 ( 0.783 -4.505 0.189) 4.577 6.033 ( 4.995 -13.119 -9.603) 17.008 6.191 ( -14.641 -3.732 -21.661) 26.410 6.879 ( 4.546 -0.897 5.137) 6.918 9.447 ( -17.652 -2.836 -9.292) 20.149 10.096 ( 6.695 5.634 15.458) 17.762 10.596 ( 2.923 3.042 -3.452) 5.451 11.552 ( -12.075 2.839 3.336) 12.845 15.377 ( 30.595 6.481 2.795) 31.399 16.622 ( 1.499 -2.883 -3.489) 4.768 ======================= Grid point 866 (172/213) ======================= q-point: ( 0.19 0.19 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 8.953 15.072 0.637) 17.542 2.734 ( 7.910 12.788 5.134) 15.889 3.385 ( 6.651 9.967 -4.511) 12.804 3.851 ( -5.235 -1.307 -6.959) 8.806 4.661 ( 5.798 3.350 -1.872) 6.953 4.963 ( 5.869 9.430 6.619) 12.930 5.846 ( -11.196 8.423 -2.024) 14.156 6.434 ( 5.740 11.950 -16.987) 21.548 6.799 ( -2.526 -2.641 4.063) 5.464 9.709 ( 6.299 12.808 -5.939) 15.460 10.043 ( 3.024 -8.592 12.744) 15.664 10.538 ( -2.533 -5.926 -6.621) 9.240 11.898 ( 13.594 20.910 2.001) 25.021 14.884 ( -15.166 -25.228 2.692) 29.558 16.524 ( -3.249 -6.899 -3.009) 8.198 ======================= Grid point 867 (173/213) ======================= q-point: ( 0.25 0.19 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 11.149 11.904 0.409) 16.315 2.971 ( 6.081 9.550 4.723) 12.267 3.594 ( 3.665 7.393 -7.329) 11.036 3.724 ( -4.636 1.402 -4.968) 6.938 4.692 ( -5.777 7.569 1.129) 9.589 5.228 ( 12.728 4.355 1.668) 13.555 5.840 ( -1.155 12.189 9.394) 15.432 6.600 ( 3.572 4.726 -12.678) 13.993 6.741 ( -1.481 -2.051 3.727) 4.504 9.911 ( 5.062 7.471 -2.874) 9.471 10.045 ( 5.828 -6.012 7.419) 11.187 10.391 ( -6.807 -6.776 -10.258) 14.052 12.402 ( 13.738 29.556 1.218) 32.616 14.362 ( -19.370 -18.020 2.428) 26.567 16.394 ( -0.694 -11.408 -2.456) 11.690 ======================= Grid point 868 (174/213) ======================= q-point: ( 0.31 0.19 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 10.051 7.889 -0.160) 12.779 3.129 ( 3.097 6.114 4.202) 8.039 3.499 ( -6.393 -5.576 -9.744) 12.919 3.894 ( 3.202 18.688 -2.498) 19.124 4.637 ( -9.418 8.030 3.023) 12.741 5.447 ( 10.064 -0.116 -0.089) 10.065 6.030 ( 8.632 10.655 16.072) 21.126 6.661 ( 2.332 -1.362 -6.303) 6.858 6.700 ( -1.288 -2.142 2.747) 3.714 10.034 ( 4.039 1.870 -0.579) 4.488 10.120 ( 6.533 -2.265 -0.241) 6.918 10.180 ( -9.506 -5.518 -12.159) 16.391 12.901 ( 8.702 27.733 1.223) 29.092 13.891 ( -20.828 -3.932 2.167) 21.306 16.282 ( 3.151 -14.981 -1.818) 15.416 ======================= Grid point 869 (175/213) ======================= q-point: ( 0.38 0.19 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 4.345 4.211 2.586) 6.580 3.195 ( -0.808 2.154 0.815) 2.441 3.360 ( -3.072 -2.104 -9.153) 9.882 4.098 ( -4.175 20.054 -2.738) 20.666 4.553 ( -6.585 5.920 2.961) 9.337 5.569 ( 6.417 -4.671 0.861) 7.984 6.304 ( 11.885 5.960 14.355) 19.566 6.635 ( -2.179 -4.932 3.788) 6.590 6.685 ( 2.997 -2.089 -1.355) 3.896 9.941 ( -11.226 -2.426 -13.742) 17.909 10.110 ( 2.670 0.136 -2.181) 3.450 10.216 ( 5.842 -2.264 -1.313) 6.401 13.197 ( 5.949 3.996 1.973) 7.433 13.614 ( -23.212 26.951 1.480) 35.600 16.212 ( 7.436 -16.820 -1.316) 18.437 ======================= Grid point 870 (176/213) ======================= q-point: (-0.56 0.19 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -8.372 -1.500 -0.373) 8.513 3.199 ( -2.991 1.354 4.422) 5.507 3.409 ( 5.425 2.222 -9.157) 10.873 4.088 ( -14.914 12.449 -2.081) 19.538 4.584 ( 0.305 9.570 1.286) 9.661 5.565 ( 0.710 -8.759 1.379) 8.895 6.467 ( -0.524 -4.525 5.690) 7.289 6.565 ( 4.462 -3.463 3.484) 6.636 6.736 ( 4.645 -1.264 2.911) 5.626 9.763 ( -8.495 3.002 -8.212) 12.190 10.131 ( -0.166 -0.820 -2.930) 3.047 10.277 ( 4.691 -3.119 -3.528) 6.647 13.188 ( -8.135 -1.969 2.321) 8.686 13.623 ( -10.164 32.385 1.117) 33.961 16.209 ( 10.518 -14.843 -1.196) 18.232 ======================= Grid point 871 (177/213) ======================= q-point: (-0.50 0.19 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -11.663 -1.715 0.346) 11.793 3.120 ( -7.201 0.678 5.128) 8.866 3.528 ( 5.154 2.334 -9.315) 10.899 3.907 ( -14.009 4.756 -2.926) 15.081 4.683 ( -2.025 10.829 0.490) 11.028 5.424 ( -5.727 -9.916 1.834) 11.597 6.296 ( -6.671 -10.758 4.851) 13.557 6.633 ( 4.094 -2.149 -3.663) 5.899 6.779 ( 1.470 -2.935 -0.600) 3.337 9.731 ( -1.515 8.033 2.446) 8.532 10.079 ( -4.390 -1.679 -3.542) 5.885 10.334 ( 5.497 -2.499 -5.660) 8.276 12.879 ( -29.326 7.474 2.062) 30.333 13.905 ( 14.195 15.124 1.541) 20.799 16.274 ( 11.050 -9.887 -1.521) 14.905 ======================= Grid point 872 (178/213) ======================= q-point: (-0.44 0.19 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -15.072 -1.360 0.743) 15.151 2.963 ( -11.472 0.317 5.154) 12.581 3.562 ( -8.341 3.775 -5.591) 10.728 3.790 ( 2.293 -1.859 -7.244) 7.823 4.710 ( -5.367 7.473 -0.074) 9.201 5.192 ( -10.674 -6.453 3.378) 12.922 6.058 ( -6.235 -13.165 2.240) 14.738 6.623 ( -4.489 -3.156 -14.718) 15.708 6.758 ( 1.352 -1.375 2.658) 3.283 9.845 ( 2.922 8.074 9.153) 12.550 9.950 ( -7.719 -0.831 -2.903) 8.289 10.423 ( 6.601 -0.883 -6.874) 9.572 12.383 ( -32.943 4.735 1.997) 33.341 14.370 ( 25.329 6.925 2.074) 26.341 16.387 ( 9.993 -4.389 -2.163) 11.127 ======================= Grid point 883 (179/213) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 7.660 10.140 -0.079) 12.708 3.130 ( 3.978 6.347 4.839) 8.918 3.538 ( -4.539 -5.878 -10.324) 12.718 3.958 ( 8.746 15.231 -1.667) 17.643 4.821 ( 0.242 3.707 2.034) 4.235 5.295 ( 3.258 2.805 1.227) 4.471 6.100 ( -1.488 13.122 9.634) 16.347 6.621 ( -0.193 -2.158 -5.508) 5.919 6.724 ( -2.623 -0.137 0.394) 2.656 9.906 ( 7.771 -4.239 3.995) 9.712 10.060 ( 2.655 4.441 -3.533) 6.265 10.274 ( -6.993 -4.639 -9.512) 12.684 12.952 ( 12.960 21.470 1.792) 25.143 14.083 ( -4.325 -6.905 1.828) 8.350 16.161 ( -6.561 -11.744 -1.540) 13.540 ======================= Grid point 884 (180/213) ======================= q-point: ( 0.31 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 6.529 6.312 -1.060) 9.143 3.226 ( 1.181 3.525 4.154) 5.575 3.401 ( -4.719 -4.165 -9.352) 11.273 4.276 ( 6.785 19.140 -0.895) 20.326 4.780 ( -10.089 5.606 3.181) 11.972 5.364 ( 7.419 -7.674 0.143) 10.675 6.248 ( 4.136 10.342 12.139) 16.475 6.605 ( 1.673 -3.564 1.039) 4.072 6.654 ( -3.296 -2.850 0.889) 4.447 10.011 ( 6.692 -1.502 -0.662) 6.890 10.095 ( -7.095 -1.743 -11.390) 13.531 10.138 ( 1.305 0.437 -3.630) 3.882 13.142 ( 0.491 -2.291 2.081) 3.134 14.167 ( -2.883 29.436 1.317) 29.606 15.939 ( -0.074 -19.449 -0.754) 19.464 ======================= Grid point 885 (181/213) ======================= q-point: ( 0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( -4.567 0.198 -2.761) 5.340 3.241 ( 0.359 2.851 4.556) 5.387 3.342 ( 2.500 -0.486 -8.122) 8.512 4.487 ( -11.584 16.717 -0.430) 20.343 4.666 ( -1.498 6.592 2.799) 7.317 5.389 ( 6.847 -12.530 0.425) 14.285 6.413 ( 4.692 4.439 7.283) 9.734 6.533 ( -3.943 -4.466 6.516) 8.829 6.640 ( 4.134 -2.490 2.174) 5.292 9.941 ( -8.376 2.318 -9.107) 12.588 10.100 ( 3.177 -0.368 -3.694) 4.886 10.175 ( 3.408 -2.641 -4.708) 6.384 13.109 ( 3.190 -5.434 2.108) 6.644 14.329 ( -20.617 35.622 1.164) 41.174 15.826 ( 12.227 -21.241 -0.344) 24.511 ======================= Grid point 887 (182/213) ======================= q-point: (-0.56 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -9.101 0.337 -1.302) 9.200 3.224 ( -3.930 0.852 4.821) 6.278 3.427 ( 6.183 -0.356 -9.551) 11.383 4.264 ( -19.704 4.683 -0.330) 20.256 4.802 ( 0.651 9.855 2.063) 10.090 5.354 ( 2.379 -9.754 0.739) 10.067 6.339 ( -7.929 -6.577 8.326) 13.245 6.554 ( 4.034 1.444 0.552) 4.320 6.697 ( 4.432 -2.438 2.382) 5.591 9.868 ( -4.980 6.859 -3.073) 9.016 10.116 ( -0.916 -0.300 -4.127) 4.238 10.208 ( 4.802 -4.126 -7.015) 9.449 13.141 ( 1.466 -1.468 2.082) 2.939 14.167 ( -23.855 17.140 1.313) 29.403 15.938 ( 16.768 -9.538 -0.705) 19.303 ======================= Grid point 901 (183/213) ======================= q-point: ( 0.31 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( 3.759 4.563 -3.296) 6.769 3.273 ( 0.379 1.104 4.420) 4.572 3.325 ( -2.882 -3.580 -7.687) 8.956 4.636 ( 9.797 15.717 1.637) 18.593 4.832 ( -2.074 -1.874 3.284) 4.313 5.183 ( -4.328 -8.004 -1.379) 9.204 6.423 ( 1.112 6.456 6.842) 9.472 6.534 ( 2.292 -2.905 4.768) 6.036 6.589 ( -4.125 -3.223 4.608) 6.975 10.015 ( 6.139 1.958 -5.137) 8.241 10.087 ( -5.098 0.639 -7.727) 9.279 10.118 ( -0.474 -2.622 -4.997) 5.663 13.050 ( -2.080 -3.561 2.005) 4.585 14.800 ( 16.633 28.751 0.993) 33.231 15.506 ( -12.902 -22.338 0.193) 25.797 ======================= Grid point 1084 (184/213) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 -0.000 0.000) 0.000 2.568 ( 0.000 -0.000 -0.000) 0.000 2.823 ( 0.000 -0.000 0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 4.931 ( -0.000 -0.000 0.001) 0.001 7.390 ( 0.000 -0.000 -0.000) 0.000 7.390 ( 0.000 0.000 -0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 10.549 ( -0.000 0.000 0.000) 0.000 11.156 ( 0.000 -0.000 0.000) 0.000 11.656 ( 0.000 -0.000 0.000) 0.000 11.656 ( 0.000 -0.000 0.000) 0.000 17.691 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1086 (185/213) ======================= q-point: ( 0.06 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 3.785 2.185 1.963) 4.791 1.992 ( 20.040 11.570 -5.484) 23.781 2.142 ( -18.434 -10.643 4.330) 21.722 2.842 ( 1.593 0.920 -1.167) 2.178 3.284 ( 23.390 13.504 0.438) 27.012 4.870 ( -4.302 -2.484 0.033) 4.967 7.101 ( -24.212 -13.979 -15.759) 32.093 7.336 ( -4.303 -2.484 7.135) 8.695 7.451 ( -49.902 -28.811 15.743) 59.734 8.362 ( 5.909 3.411 -6.231) 9.240 10.455 ( -12.977 -7.492 -1.753) 15.086 10.608 ( 3.887 2.244 0.779) 4.556 11.620 ( -2.896 -1.672 -0.033) 3.344 13.600 ( 94.880 54.779 0.566) 109.560 17.439 ( -19.880 -11.478 -0.169) 22.956 ======================= Grid point 1088 (186/213) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -8.367 -4.831 -1.770) 9.822 1.895 ( 7.753 4.476 2.656) 9.338 2.590 ( 27.005 15.591 0.937) 31.197 2.893 ( 2.688 1.552 -1.816) 3.596 3.795 ( 20.495 11.833 -0.279) 23.667 4.805 ( 0.234 0.135 0.601) 0.659 6.323 ( -32.336 -18.669 -17.935) 41.422 6.669 ( -23.654 -13.657 20.922) 34.406 7.210 ( -6.185 -3.571 8.742) 11.288 8.556 ( 10.698 6.176 -6.994) 14.195 10.324 ( -1.815 -1.048 -2.496) 3.259 10.690 ( 2.286 1.320 -0.682) 2.726 11.536 ( -3.928 -2.268 -0.257) 4.543 15.393 ( 56.945 32.877 2.083) 65.787 16.886 ( -25.737 -14.859 -1.550) 29.759 ======================= Grid point 1090 (187/213) ======================= q-point: ( 0.19 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 5.982 3.454 -0.538) 6.928 2.114 ( 10.999 6.350 1.800) 12.828 2.960 ( 3.054 1.763 -1.726) 3.926 3.175 ( 22.518 13.001 2.426) 26.115 4.216 ( 15.169 8.758 -4.579) 18.105 4.886 ( 5.228 3.018 3.025) 6.752 5.780 ( -14.431 -8.332 -6.213) 17.784 6.241 ( -12.392 -7.154 15.808) 21.322 7.065 ( -6.089 -3.515 6.587) 9.634 8.853 ( 14.921 8.615 -4.079) 17.706 10.306 ( -0.247 -0.143 -2.643) 2.658 10.694 ( -2.071 -1.195 -3.642) 4.356 11.459 ( -2.282 -1.317 -0.796) 2.752 16.073 ( -11.055 -6.382 7.101) 14.607 16.487 ( 6.867 3.965 -6.847) 10.477 ======================= Grid point 1092 (188/213) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 15.716 9.074 0.693) 18.161 2.388 ( 12.320 7.113 0.023) 14.226 3.029 ( 2.773 1.601 -0.934) 3.336 3.591 ( 12.615 7.283 6.114) 15.798 4.441 ( 3.285 1.897 -9.922) 10.622 4.973 ( 2.928 1.690 0.933) 3.507 5.687 ( 5.842 3.373 15.578) 16.976 6.133 ( 3.051 1.761 6.309) 7.226 6.938 ( -4.744 -2.739 3.490) 6.495 9.232 ( 17.282 9.978 -0.336) 19.958 10.295 ( -1.202 -0.694 -4.734) 4.933 10.597 ( -5.943 -3.431 -5.451) 8.763 11.449 ( 1.752 1.012 -1.601) 2.580 15.500 ( -28.872 -16.669 1.924) 33.394 16.712 ( 5.438 3.140 -2.065) 6.610 ======================= Grid point 1094 (189/213) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 19.280 11.132 -0.286) 22.265 2.667 ( 11.375 6.567 -2.019) 13.289 3.086 ( 2.105 1.215 0.505) 2.482 3.733 ( -0.132 -0.076 7.808) 7.810 4.417 ( -2.925 -1.688 -5.515) 6.467 5.100 ( 8.560 4.942 -0.006) 9.884 5.952 ( 15.025 8.674 26.804) 31.928 6.316 ( 10.707 6.182 -1.478) 12.452 6.850 ( -2.829 -1.633 1.052) 3.432 9.619 ( 15.383 8.881 2.388) 17.922 10.206 ( -7.828 -4.520 -15.135) 17.629 10.469 ( -3.506 -2.024 0.649) 4.100 11.550 ( 6.952 4.014 -2.281) 8.345 14.819 ( -29.512 -17.039 0.974) 34.092 16.753 ( -0.681 -0.393 -1.252) 1.479 ======================= Grid point 1096 (190/213) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 16.435 9.489 -4.707) 19.553 2.900 ( 8.611 4.972 -4.155) 10.777 3.125 ( 1.306 0.754 2.663) 3.060 3.642 ( -6.064 -3.501 7.725) 10.426 4.361 ( -1.870 -1.080 0.124) 2.163 5.351 ( 12.224 7.058 3.378) 14.514 6.315 ( 15.195 8.773 21.797) 27.982 6.560 ( 9.731 5.618 0.508) 11.247 6.806 ( -1.154 -0.666 -0.208) 1.349 9.915 ( 9.910 5.721 3.091) 11.853 9.942 ( -13.592 -7.847 -20.511) 25.827 10.449 ( 1.004 0.580 3.062) 3.274 11.755 ( 9.989 5.767 -2.170) 11.737 14.167 ( -25.975 -14.996 0.932) 30.007 16.720 ( -1.704 -0.984 -0.923) 2.174 ======================= Grid point 1098 (191/213) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 4.719 2.724 -6.162) 8.226 3.146 ( 0.493 0.284 5.255) 5.286 3.168 ( 8.474 4.893 -9.368) 13.546 3.518 ( -3.700 -2.136 9.542) 10.455 4.325 ( -1.317 -0.760 1.490) 2.129 5.612 ( 9.052 5.226 3.083) 10.898 6.594 ( 7.693 4.442 6.127) 10.791 6.768 ( 8.342 4.816 9.601) 13.600 6.791 ( -0.253 -0.146 -0.408) 0.502 9.641 ( -11.049 -6.379 -15.657) 20.197 10.078 ( 4.408 2.545 1.968) 5.457 10.489 ( 1.940 1.120 1.481) 2.686 11.966 ( 7.285 4.206 -1.233) 8.502 13.667 ( -16.111 -9.302 0.827) 18.622 16.687 ( -0.973 -0.562 -0.532) 1.243 ======================= Grid point 1100 (192/213) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 0.000 0.000 -0.001) 0.001 3.150 ( -0.000 -0.000 0.001) 0.001 3.259 ( -0.001 -0.000 0.002) 0.002 3.482 ( 0.001 0.001 -0.000) 0.001 4.307 ( 0.000 0.000 0.001) 0.001 5.723 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.002 0.001 0.003) 0.003 6.789 ( 0.000 0.000 0.000) 0.000 6.884 ( -0.001 -0.000 -0.001) 0.001 9.500 ( 0.000 0.000 0.001) 0.001 10.127 ( 0.000 0.000 0.000) 0.000 10.515 ( -0.000 -0.000 0.000) 0.000 12.055 ( -0.000 -0.000 0.000) 0.000 13.472 ( 0.000 0.000 0.001) 0.001 16.676 ( 0.000 0.000 0.001) 0.001 ======================= Grid point 1120 (193/213) ======================= q-point: ( 0.06 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 520 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -1.116 -1.932 0.000) 2.232 1.884 ( -2.027 -3.511 0.000) 4.055 2.409 ( 14.833 25.691 0.000) 29.665 2.890 ( 2.408 4.171 0.000) 4.816 3.661 ( 12.164 21.068 -0.000) 24.327 4.810 ( -1.057 -1.830 0.001) 2.113 6.599 ( -22.061 -38.210 -0.001) 44.122 6.723 ( -14.126 -24.469 0.001) 28.254 7.295 ( -3.470 -6.010 -0.000) 6.940 8.479 ( 5.073 8.787 0.000) 10.146 10.364 ( -1.044 -1.807 0.000) 2.087 10.650 ( 1.187 2.056 0.001) 2.375 11.566 ( -2.012 -3.485 0.000) 4.024 15.005 ( 39.711 68.782 0.000) 79.422 17.044 ( -14.805 -25.643 0.000) 29.610 ======================= Grid point 1122 (194/213) ======================= q-point: ( 0.12 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.849 0.398 -0.540) 1.082 2.035 ( 7.326 9.208 1.226) 11.831 2.858 ( 10.638 7.393 -0.395) 12.961 3.078 ( 10.539 19.181 0.248) 21.887 4.069 ( 13.562 14.273 -1.349) 19.735 4.842 ( 3.371 3.546 1.100) 5.015 5.977 ( -18.210 -13.922 -8.870) 24.578 6.281 ( -9.187 -20.781 12.432) 25.900 7.151 ( -6.621 -4.001 4.232) 8.818 8.718 ( 11.035 10.695 -2.967) 15.651 10.342 ( -1.933 1.638 -1.372) 2.881 10.677 ( 1.226 -1.849 -1.343) 2.593 11.495 ( -2.636 -1.596 -0.325) 3.099 16.052 ( 20.626 27.792 3.656) 34.803 16.499 ( -15.742 -22.302 -3.448) 27.515 ======================= Grid point 1124 (195/213) ======================= q-point: ( 0.19 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 10.722 8.217 0.256) 13.510 2.287 ( 9.772 10.648 0.598) 14.465 3.007 ( 3.816 4.254 -0.982) 5.798 3.495 ( 11.592 16.454 3.590) 20.445 4.381 ( 8.359 7.281 -6.965) 13.092 4.932 ( 2.965 0.830 2.397) 3.902 5.710 ( -5.100 1.948 3.788) 6.645 6.058 ( 2.110 -8.602 8.614) 12.356 7.003 ( -5.842 -3.307 3.655) 7.643 9.063 ( 14.765 12.486 -1.397) 19.387 10.321 ( -1.958 0.575 -2.339) 3.104 10.638 ( -2.738 -3.761 -3.959) 6.108 11.466 ( -0.572 2.594 -0.989) 2.834 15.809 ( -25.958 -17.805 2.491) 31.576 16.589 ( 11.394 3.531 -2.486) 12.185 ======================= Grid point 1126 (196/213) ======================= q-point: ( 0.25 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 17.030 10.434 0.442) 19.977 2.570 ( 10.065 10.832 -0.766) 14.806 3.106 ( 1.391 6.636 -0.423) 6.793 3.732 ( 2.434 5.148 6.742) 8.825 4.466 ( -2.262 1.547 -7.519) 8.003 5.016 ( 6.499 3.244 -0.917) 7.321 5.808 ( 9.310 7.116 23.278) 26.060 6.171 ( 11.447 3.184 -1.338) 11.957 6.889 ( -3.890 -2.441 1.824) 4.941 9.453 ( 15.193 11.819 1.093) 19.280 10.268 ( -3.953 -2.682 -8.121) 9.422 10.518 ( -5.305 -4.108 -2.377) 7.119 11.546 ( 2.992 9.678 -1.791) 10.287 15.151 ( -28.500 -18.162 1.049) 33.811 16.702 ( 3.556 -4.016 -1.275) 5.514 ======================= Grid point 1128 (197/213) ======================= q-point: ( 0.31 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 17.541 7.464 -2.097) 19.178 2.840 ( 8.752 10.113 -1.831) 13.499 3.190 ( -0.957 9.329 0.153) 9.379 3.703 ( -4.968 -3.171 6.828) 9.020 4.421 ( -4.046 2.512 -1.642) 5.037 5.225 ( 10.716 7.363 1.004) 13.041 6.112 ( 16.068 6.761 24.029) 29.687 6.426 ( 11.523 4.908 -2.073) 12.695 6.821 ( -1.785 -1.444 0.465) 2.343 9.792 ( 11.704 8.076 2.430) 14.426 10.089 ( -11.156 -6.641 -18.072) 22.252 10.428 ( -0.597 -2.690 3.615) 4.545 11.760 ( 5.149 17.850 -2.122) 18.698 14.479 ( -28.014 -16.795 0.813) 32.673 16.684 ( 1.395 -6.337 -0.941) 6.557 ======================= Grid point 1130 (198/213) ======================= q-point: ( 0.38 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 11.232 3.019 -5.278) 12.772 3.065 ( 6.668 6.373 -1.319) 9.318 3.257 ( -3.033 10.328 -2.194) 10.985 3.575 ( -4.775 -2.011 8.511) 9.964 4.381 ( -3.891 2.986 1.359) 5.090 5.496 ( 10.910 6.905 2.960) 13.246 6.446 ( 14.307 4.499 14.543) 20.891 6.639 ( 8.938 1.688 3.183) 9.637 6.796 ( -0.023 -0.162 0.594) 0.616 9.794 ( -13.282 -6.322 -18.376) 23.539 10.015 ( 6.566 4.128 2.291) 8.087 10.426 ( 3.055 -3.097 2.895) 5.226 12.043 ( 2.284 23.275 -1.628) 23.443 13.881 ( -22.016 -13.584 0.913) 25.885 16.645 ( 1.778 -6.338 -0.662) 6.615 ======================= Grid point 1132 (199/213) ======================= q-point: ( 0.44 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 4.736 3.243 -5.364) 7.856 3.165 ( -0.098 1.839 3.685) 4.119 3.265 ( -2.221 1.428 -3.880) 4.693 3.540 ( -2.748 6.138 4.930) 8.339 4.349 ( -2.968 3.101 0.911) 4.388 5.690 ( 4.930 2.229 1.370) 5.582 6.641 ( 4.646 0.724 1.346) 4.891 6.746 ( 3.680 -3.297 1.728) 5.234 6.839 ( 3.991 0.659 5.104) 6.513 9.560 ( -7.320 -1.278 -8.430) 11.237 10.115 ( 2.113 1.127 0.919) 2.566 10.452 ( 3.695 -4.357 0.875) 5.779 12.253 ( -6.753 23.918 -0.623) 24.861 13.500 ( -7.949 -7.485 0.510) 10.930 16.623 ( 2.724 -5.815 -0.247) 6.426 ======================= Grid point 1154 (200/213) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 522 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 5.436 9.416 0.000) 10.872 2.257 ( 7.326 12.689 0.000) 14.651 2.990 ( 4.001 6.930 0.000) 8.002 3.489 ( 10.871 18.830 0.000) 21.743 4.336 ( 6.828 11.827 -0.000) 13.657 4.907 ( 0.981 1.698 0.001) 1.960 5.829 ( -0.251 -0.434 0.000) 0.502 5.936 ( -6.656 -11.529 0.000) 13.312 7.044 ( -3.517 -6.091 0.000) 7.034 8.992 ( 9.434 16.340 0.000) 18.868 10.350 ( -0.683 -1.182 0.000) 1.365 10.636 ( -1.465 -2.538 0.000) 2.931 11.489 ( 0.990 1.714 0.000) 1.980 15.975 ( -15.467 -26.788 0.001) 30.932 16.475 ( 6.747 11.685 0.000) 13.493 ======================= Grid point 1156 (201/213) ======================= q-point: ( 0.19 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 11.391 12.588 0.255) 16.979 2.529 ( 8.674 13.141 -0.121) 15.746 3.138 ( 3.992 8.510 -0.346) 9.407 3.754 ( 3.086 7.542 2.838) 8.630 4.512 ( 1.943 6.389 -4.317) 7.952 4.939 ( 4.039 1.378 0.228) 4.273 5.794 ( -0.764 3.404 12.074) 12.568 6.004 ( 11.315 5.548 -3.417) 13.057 6.926 ( -3.793 -4.243 1.025) 5.783 9.347 ( 12.206 15.325 0.161) 19.593 10.299 ( -2.711 -2.938 -2.382) 4.653 10.555 ( -3.862 -4.834 -1.406) 6.345 11.594 ( 4.405 10.919 -0.701) 11.795 15.400 ( -21.890 -22.648 0.564) 31.503 16.592 ( 3.068 -3.040 -0.642) 4.366 ======================= Grid point 1158 (202/213) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 14.296 11.297 -0.530) 18.229 2.804 ( 8.116 11.862 -0.617) 14.386 3.292 ( 2.075 11.442 -0.649) 11.647 3.752 ( -4.118 -3.019 4.339) 6.700 4.544 ( -4.273 6.488 -2.038) 8.031 5.113 ( 10.259 6.118 -1.433) 12.031 5.936 ( 10.544 5.905 18.383) 21.999 6.278 ( 11.451 6.843 -3.203) 13.719 6.836 ( -2.354 -2.745 0.730) 3.689 9.687 ( 10.977 11.084 1.141) 15.641 10.185 ( -6.552 -5.120 -10.681) 13.536 10.425 ( -3.675 -5.736 2.673) 7.318 11.866 ( 7.343 22.355 -1.328) 23.568 14.775 ( -25.525 -19.333 0.514) 32.024 16.567 ( 2.042 -8.878 -0.631) 9.132 ======================= Grid point 1160 (203/213) ======================= q-point: ( 0.31 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 12.458 7.718 -2.783) 14.917 3.032 ( 5.983 8.643 -0.618) 10.530 3.415 ( -2.278 9.448 -2.300) 9.988 3.639 ( -3.700 0.171 5.867) 6.938 4.519 ( -6.204 6.939 0.821) 9.344 5.372 ( 11.398 6.418 0.413) 13.087 6.226 ( 15.093 5.222 16.493) 22.958 6.503 ( 8.704 2.378 -1.016) 9.080 6.791 ( -0.432 -1.526 0.860) 1.805 9.924 ( 2.603 2.970 -3.861) 5.523 9.974 ( -6.969 -2.329 -11.182) 13.380 10.346 ( 1.017 -5.556 5.269) 7.724 12.262 ( 6.037 31.079 -1.378) 31.690 14.153 ( -25.235 -15.355 0.666) 29.547 16.511 ( 3.162 -10.704 -0.538) 11.174 ======================= Grid point 1162 (204/213) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1028 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 8.378 5.193 -4.371) 10.783 3.173 ( 2.346 4.655 0.313) 5.222 3.352 ( -6.075 -2.079 0.405) 6.433 3.693 ( -2.278 14.821 2.678) 15.232 4.472 ( -6.179 5.659 1.348) 8.486 5.599 ( 8.451 2.648 1.028) 8.915 6.512 ( 11.741 2.385 8.592) 14.743 6.623 ( 5.413 -2.687 0.105) 6.044 6.790 ( 1.673 -1.059 3.119) 3.695 9.709 ( -11.025 -1.752 -12.583) 16.821 10.078 ( 3.858 2.127 1.171) 4.558 10.335 ( 3.649 -5.529 2.817) 7.198 12.650 ( -0.916 35.421 -0.994) 35.447 13.629 ( -18.714 -10.993 0.776) 21.718 16.470 ( 4.826 -11.130 -0.323) 12.135 ======================= Grid point 1164 (205/213) ======================= q-point: ( 0.44 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 520 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -0.621 1.208 -0.051) 1.360 3.181 ( -0.840 1.324 0.051) 1.569 3.259 ( -0.229 0.395 0.001) 0.456 3.759 ( -8.337 14.439 0.001) 16.673 4.441 ( -3.397 5.883 0.000) 6.793 5.690 ( 1.455 -2.521 0.001) 2.911 6.633 ( 0.898 -1.555 0.001) 1.796 6.650 ( 3.488 -6.042 -0.000) 6.976 6.808 ( 1.783 -3.088 0.000) 3.566 9.595 ( -2.675 4.633 0.000) 5.350 10.121 ( 0.307 -0.531 0.000) 0.613 10.342 ( 3.481 -6.030 0.001) 6.963 12.860 ( -19.729 34.171 0.001) 39.458 13.369 ( 2.853 -4.943 0.001) 5.708 16.456 ( 6.250 -10.825 0.000) 12.500 ======================= Grid point 1190 (206/213) ======================= q-point: ( 0.19 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 520 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 8.777 15.203 0.001) 17.555 2.793 ( 7.379 12.781 0.000) 14.758 3.332 ( 5.999 10.391 0.000) 11.999 3.775 ( -2.401 -4.158 0.000) 4.801 4.638 ( 3.115 5.395 0.001) 6.230 5.031 ( 4.605 7.975 0.000) 9.209 5.876 ( 3.868 6.700 0.000) 7.736 6.205 ( 6.608 11.444 0.001) 13.214 6.844 ( -2.141 -3.708 0.000) 4.282 9.646 ( 7.975 13.813 0.000) 15.949 10.215 ( -2.956 -5.120 0.001) 5.912 10.430 ( -4.369 -7.566 -0.000) 8.736 11.919 ( 12.277 21.265 0.000) 24.554 14.913 ( -14.852 -25.724 0.001) 29.704 16.492 ( -3.576 -6.195 0.000) 7.153 ======================= Grid point 1192 (207/213) ======================= q-point: ( 0.25 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 9.929 11.897 -0.811) 15.518 3.024 ( 5.794 9.762 -0.190) 11.354 3.501 ( 0.186 4.233 -0.666) 4.289 3.695 ( -0.192 3.184 1.818) 3.672 4.705 ( -3.819 8.615 0.396) 9.432 5.232 ( 9.922 5.002 -0.867) 11.145 6.075 ( 9.553 8.575 7.792) 15.017 6.404 ( 6.255 5.043 -1.149) 8.116 6.784 ( -1.122 -2.353 0.421) 2.641 9.881 ( 6.246 8.034 0.326) 10.182 10.088 ( -6.987 -4.102 -8.954) 12.076 10.282 ( -2.045 -8.281 5.053) 9.914 12.409 ( 12.955 30.232 -0.522) 32.895 14.390 ( -19.187 -18.391 0.225) 26.578 16.366 ( -0.725 -10.790 -0.206) 10.817 ======================= Grid point 1194 (208/213) ======================= q-point: ( 0.31 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 8.301 8.045 -2.373) 11.801 3.181 ( 3.037 6.192 -0.118) 6.898 3.410 ( -4.928 -5.198 1.351) 7.289 3.868 ( 2.615 18.087 0.392) 18.279 4.676 ( -8.815 8.060 1.087) 11.994 5.444 ( 10.785 0.028 -0.347) 10.790 6.343 ( 11.227 6.548 9.707) 16.222 6.518 ( 4.554 -0.527 -2.539) 5.240 6.756 ( 0.266 -2.147 1.820) 2.827 9.887 ( -10.598 -1.285 -12.106) 16.141 10.034 ( 3.864 3.034 0.848) 4.985 10.218 ( 2.871 -6.709 5.607) 9.203 12.907 ( 8.413 28.749 -0.585) 29.960 13.918 ( -20.597 -4.621 0.396) 21.112 16.260 ( 3.184 -14.310 -0.203) 14.661 ======================= Grid point 1196 (209/213) ======================= q-point: ( 0.38 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 6.068 4.849 -3.442) 8.496 3.244 ( -2.025 1.429 1.578) 2.938 3.288 ( -2.958 -1.916 1.394) 3.790 4.064 ( -4.439 20.775 -0.226) 21.245 4.589 ( -7.570 5.633 0.747) 9.465 5.579 ( 7.116 -5.074 -0.039) 8.740 6.526 ( 4.912 -1.918 6.529) 8.393 6.584 ( 4.192 0.507 -5.067) 6.595 6.742 ( 1.352 -3.627 2.876) 4.822 9.730 ( -7.427 3.673 -5.326) 9.850 10.096 ( 1.868 -0.428 0.538) 1.991 10.222 ( 3.789 -5.413 1.768) 6.840 13.215 ( 5.997 5.474 -0.280) 8.125 13.632 ( -23.231 25.537 0.259) 34.524 16.197 ( 7.380 -16.202 -0.081) 17.803 ======================= Grid point 1224 (210/213) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 522 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 6.017 10.421 0.001) 12.034 3.187 ( 3.711 6.427 0.000) 7.421 3.426 ( -3.691 -6.394 0.001) 7.383 3.937 ( 9.176 15.894 0.000) 18.353 4.840 ( 2.084 3.610 0.001) 4.169 5.306 ( 1.666 2.886 0.000) 3.332 6.278 ( 6.412 11.107 0.001) 12.825 6.472 ( 1.124 1.945 -0.000) 2.246 6.742 ( -1.137 -1.969 0.000) 2.273 10.002 ( 1.997 3.458 -0.000) 3.993 10.021 ( -1.992 -3.454 0.002) 3.987 10.126 ( -3.041 -5.263 -0.001) 6.078 12.971 ( 12.644 21.900 0.001) 25.288 14.102 ( -4.249 -7.359 0.001) 8.498 16.145 ( -6.467 -11.202 0.000) 12.935 ======================= Grid point 1226 (211/213) ======================= q-point: ( 0.31 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1024 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 4.890 6.206 -1.334) 8.014 3.280 ( 0.888 3.444 0.269) 3.567 3.310 ( -2.947 -4.088 0.905) 5.120 4.261 ( 6.220 20.335 -0.304) 21.268 4.817 ( -9.741 5.433 0.575) 11.168 5.363 ( 7.604 -7.837 -0.251) 10.922 6.470 ( 2.900 4.551 8.426) 10.006 6.512 ( 4.579 1.380 -7.648) 9.020 6.700 ( -0.692 -3.341 1.689) 3.808 9.904 ( -8.246 2.822 -6.477) 10.859 10.046 ( 3.313 -2.700 3.342) 5.426 10.111 ( 2.817 -2.769 1.525) 4.234 13.163 ( 0.569 -2.136 -0.015) 2.210 14.180 ( -3.002 29.177 0.000) 29.331 15.931 ( 0.018 -18.850 -0.032) 18.850 ======================= Grid point 1228 (212/213) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 522 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -0.112 0.195 -0.000) 0.225 3.222 ( -0.275 0.474 0.002) 0.548 3.312 ( -0.967 1.675 0.000) 1.935 4.480 ( -10.783 18.677 0.000) 21.566 4.694 ( -3.385 5.863 0.000) 6.770 5.394 ( 7.474 -12.945 0.000) 14.947 6.493 ( 0.229 -0.396 0.000) 0.458 6.603 ( -0.165 0.284 0.001) 0.328 6.661 ( 2.093 -3.625 0.001) 4.186 9.841 ( -4.000 6.928 0.000) 8.000 10.066 ( 1.306 -2.262 0.000) 2.612 10.121 ( 2.751 -4.765 0.001) 5.502 13.131 ( 3.207 -5.555 0.001) 6.414 14.341 ( -20.534 35.566 0.001) 41.068 15.822 ( 11.997 -20.780 0.000) 23.995 ======================= Grid point 1260 (213/213) ======================= q-point: ( 0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 520 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 1.926 3.335 0.000) 3.852 3.240 ( -1.484 -2.569 0.001) 2.967 3.330 ( 0.703 1.218 0.000) 1.406 4.651 ( 10.055 17.416 0.000) 20.110 4.865 ( -1.295 -2.242 0.001) 2.590 5.169 ( -5.201 -9.008 0.000) 10.402 6.500 ( 0.426 0.738 0.000) 0.853 6.584 ( 1.777 3.076 0.002) 3.552 6.634 ( -1.650 -2.857 -0.000) 3.300 9.980 ( 0.430 0.722 0.004) 0.841 9.985 ( 0.919 1.614 -0.003) 1.858 10.065 ( -1.713 -2.966 0.001) 3.425 13.071 ( -2.084 -3.609 0.001) 4.167 14.811 ( 16.480 28.546 0.001) 32.962 15.508 ( -12.665 -21.938 0.000) 25.331 =================== 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 3/30720 10.0 5954.913 5954.913 8112.362 0.000 0.000 0.000 3/30720 20.0 946.528 946.528 995.312 0.000 0.000 0.000 3/30720 30.0 296.264 296.264 246.374 0.000 0.000 0.000 3/30720 40.0 147.229 147.229 102.379 0.000 0.000 0.000 3/30720 50.0 91.312 91.312 56.690 0.000 0.000 0.000 3/30720 60.0 64.181 64.181 37.190 0.000 0.000 0.000 3/30720 70.0 48.745 48.745 27.102 0.000 0.000 0.000 3/30720 80.0 38.977 38.977 21.144 0.000 0.000 0.000 3/30720 90.0 32.318 32.318 17.277 0.000 0.000 0.000 3/30720 100.0 27.526 27.526 14.590 0.000 0.000 0.000 3/30720 110.0 23.934 23.934 12.624 0.000 0.000 0.000 3/30720 120.0 21.152 21.152 11.127 0.000 0.000 0.000 3/30720 130.0 18.942 18.942 9.952 0.000 0.000 0.000 3/30720 140.0 17.149 17.149 9.006 0.000 0.000 0.000 3/30720 150.0 15.667 15.667 8.227 0.000 0.000 0.000 3/30720 160.0 14.424 14.424 7.576 0.000 0.000 0.000 3/30720 170.0 13.367 13.367 7.024 0.000 0.000 0.000 3/30720 180.0 12.458 12.458 6.549 0.000 0.000 0.000 3/30720 190.0 11.669 11.669 6.136 0.000 0.000 0.000 3/30720 200.0 10.976 10.976 5.774 0.000 0.000 0.000 3/30720 210.0 10.363 10.363 5.454 0.000 0.000 0.000 3/30720 220.0 9.818 9.818 5.168 0.000 0.000 0.000 3/30720 230.0 9.329 9.329 4.912 0.000 0.000 0.000 3/30720 240.0 8.889 8.889 4.681 0.000 0.000 0.000 3/30720 250.0 8.489 8.489 4.472 0.000 0.000 0.000 3/30720 260.0 8.125 8.125 4.281 0.000 0.000 0.000 3/30720 270.0 7.792 7.792 4.106 0.000 0.000 0.000 3/30720 280.0 7.487 7.487 3.945 0.000 0.000 0.000 3/30720 290.0 7.205 7.205 3.797 0.000 0.000 0.000 3/30720 300.0 6.944 6.944 3.660 0.000 0.000 0.000 3/30720 310.0 6.702 6.702 3.532 0.000 0.000 0.000 3/30720 320.0 6.477 6.477 3.414 0.000 0.000 0.000 3/30720 330.0 6.267 6.267 3.303 0.000 0.000 0.000 3/30720 340.0 6.070 6.070 3.200 0.000 0.000 0.000 3/30720 350.0 5.886 5.886 3.102 0.000 0.000 0.000 3/30720 360.0 5.713 5.713 3.011 0.000 0.000 0.000 3/30720 370.0 5.550 5.550 2.925 0.000 0.000 0.000 3/30720 380.0 5.396 5.396 2.844 0.000 0.000 0.000 3/30720 390.0 5.251 5.251 2.768 0.000 0.000 0.000 3/30720 400.0 5.114 5.114 2.695 0.000 0.000 0.000 3/30720 410.0 4.983 4.983 2.626 0.000 0.000 0.000 3/30720 420.0 4.860 4.860 2.561 0.000 0.000 0.000 3/30720 430.0 4.742 4.742 2.499 0.000 0.000 0.000 3/30720 440.0 4.630 4.630 2.440 0.000 0.000 0.000 3/30720 450.0 4.524 4.524 2.384 0.000 0.000 0.000 3/30720 460.0 4.422 4.422 2.330 0.000 0.000 0.000 3/30720 470.0 4.325 4.325 2.279 0.000 0.000 0.000 3/30720 480.0 4.232 4.232 2.230 0.000 0.000 0.000 3/30720 490.0 4.143 4.143 2.183 0.000 0.000 0.000 3/30720 500.0 4.057 4.057 2.138 0.000 0.000 0.000 3/30720 510.0 3.976 3.976 2.095 0.000 0.000 0.000 3/30720 520.0 3.897 3.897 2.053 0.000 0.000 0.000 3/30720 530.0 3.822 3.822 2.014 0.000 0.000 0.000 3/30720 540.0 3.749 3.749 1.975 0.000 0.000 0.000 3/30720 550.0 3.679 3.679 1.939 0.000 0.000 0.000 3/30720 560.0 3.612 3.612 1.903 0.000 0.000 0.000 3/30720 570.0 3.547 3.547 1.869 0.000 0.000 0.000 3/30720 580.0 3.485 3.485 1.836 0.000 0.000 0.000 3/30720 590.0 3.425 3.425 1.804 0.000 0.000 0.000 3/30720 600.0 3.366 3.366 1.773 0.000 0.000 0.000 3/30720 610.0 3.310 3.310 1.744 0.000 0.000 0.000 3/30720 620.0 3.256 3.256 1.715 0.000 0.000 0.000 3/30720 630.0 3.203 3.203 1.687 0.000 0.000 0.000 3/30720 640.0 3.152 3.152 1.660 0.000 0.000 0.000 3/30720 650.0 3.103 3.103 1.634 0.000 0.000 0.000 3/30720 660.0 3.055 3.055 1.609 0.000 0.000 0.000 3/30720 670.0 3.009 3.009 1.585 0.000 0.000 0.000 3/30720 680.0 2.964 2.964 1.561 0.000 0.000 0.000 3/30720 690.0 2.920 2.920 1.538 0.000 0.000 0.000 3/30720 700.0 2.878 2.878 1.516 0.000 0.000 0.000 3/30720 710.0 2.837 2.837 1.494 0.000 0.000 0.000 3/30720 720.0 2.797 2.797 1.473 0.000 0.000 0.000 3/30720 730.0 2.758 2.758 1.453 0.000 0.000 0.000 3/30720 740.0 2.720 2.720 1.433 0.000 0.000 0.000 3/30720 750.0 2.684 2.684 1.413 0.000 0.000 0.000 3/30720 760.0 2.648 2.648 1.395 0.000 0.000 0.000 3/30720 770.0 2.613 2.613 1.376 0.000 0.000 0.000 3/30720 780.0 2.579 2.579 1.358 0.000 0.000 0.000 3/30720 790.0 2.546 2.546 1.341 0.000 0.000 0.000 3/30720 800.0 2.514 2.514 1.324 0.000 0.000 0.000 3/30720 810.0 2.483 2.483 1.307 0.000 0.000 0.000 3/30720 820.0 2.452 2.452 1.291 0.000 0.000 0.000 3/30720 830.0 2.422 2.422 1.276 0.000 0.000 0.000 3/30720 840.0 2.393 2.393 1.260 0.000 0.000 0.000 3/30720 850.0 2.365 2.365 1.245 0.000 0.000 0.000 3/30720 860.0 2.337 2.337 1.231 0.000 0.000 0.000 3/30720 870.0 2.310 2.310 1.216 0.000 0.000 0.000 3/30720 880.0 2.283 2.283 1.202 0.000 0.000 0.000 3/30720 890.0 2.257 2.257 1.189 0.000 0.000 0.000 3/30720 900.0 2.232 2.232 1.175 0.000 0.000 0.000 3/30720 910.0 2.207 2.207 1.162 0.000 0.000 0.000 3/30720 920.0 2.183 2.183 1.150 0.000 0.000 0.000 3/30720 930.0 2.159 2.159 1.137 0.000 0.000 0.000 3/30720 940.0 2.136 2.136 1.125 0.000 0.000 0.000 3/30720 950.0 2.114 2.114 1.113 0.000 0.000 0.000 3/30720 960.0 2.091 2.091 1.101 0.000 0.000 0.000 3/30720 970.0 2.070 2.070 1.090 0.000 0.000 0.000 3/30720 980.0 2.048 2.048 1.079 0.000 0.000 0.000 3/30720 990.0 2.028 2.028 1.068 0.000 0.000 0.000 3/30720 1000.0 2.007 2.007 1.057 0.000 0.000 0.000 3/30720 Thermal conductivity related properties were written into "kappa-m16168.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:10:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|