# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/d97d99a9-502b-40af-be4b-2d5e23df37ba/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for LiBC / P6_3/mmc (194) / materials id 9244](https://mdr.nims.go.jp/datasets/e005feef-07cc-4a39-89e4-9998a0e78a9a) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:15:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)Number of symmetry operations in supercell: 432------------------------------ primitive cell ------------------------------Lattice vectors: a 2.739839741239217 0.000000000000000 0.000000000000000 b -1.369919870619608 2.372770818211345 0.000000000000000 c 0.000000000000000 0.000000000000000 6.941160430000000Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 *3 B 0.33333333333333 0.66666666666667 0.75000000000000 10.811 4 B 0.66666666666667 0.33333333333333 0.25000000000000 10.811 *5 C 0.33333333333333 0.66666666666667 0.25000000000000 12.011 6 C 0.66666666666667 0.33333333333333 0.75000000000000 12.011-------------------------------- unit cell ---------------------------------Lattice vectors: a 2.739839741239217 0.000000000000000 0.000000000000000 b -1.369919870619608 2.372770818211345 0.000000000000000 c 0.000000000000000 0.000000000000000 6.941160430000000Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 *3 B 0.33333333333333 0.66666666666667 0.75000000000000 10.811 > 3 4 B 0.66666666666667 0.33333333333333 0.25000000000000 10.811 > 4 *5 C 0.33333333333333 0.66666666666667 0.25000000000000 12.011 > 5 6 C 0.66666666666667 0.33333333333333 0.75000000000000 12.011 > 6-------------------------------- super cell --------------------------------Lattice vectors: a 8.219519223717651 0.000000000000000 0.000000000000000 b -4.109759611858824 7.118312454634035 0.000000000000000 c 0.000000000000000 0.000000000000000 13.882320860000000Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 1 8 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 1 9 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 2 20 Li 0.33333333333333 0.00000000000000 0.25000000000000 6.941 > 2 21 Li 0.66666666666667 0.00000000000000 0.25000000000000 6.941 > 2 22 Li 0.00000000000000 0.33333333333333 0.25000000000000 6.941 > 2 23 Li 0.33333333333333 0.33333333333333 0.25000000000000 6.941 > 2 24 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 2 25 Li 0.00000000000000 0.66666666666667 0.25000000000000 6.941 > 2 26 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 > 2 27 Li 0.66666666666667 0.66666666666667 0.25000000000000 6.941 > 2 28 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 29 Li 0.33333333333333 0.00000000000000 0.75000000000000 6.941 > 2 30 Li 0.66666666666667 0.00000000000000 0.75000000000000 6.941 > 2 31 Li 0.00000000000000 0.33333333333333 0.75000000000000 6.941 > 2 32 Li 0.33333333333333 0.33333333333333 0.75000000000000 6.941 > 2 33 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 > 2 34 Li 0.00000000000000 0.66666666666667 0.75000000000000 6.941 > 2 35 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 2 36 Li 0.66666666666667 0.66666666666667 0.75000000000000 6.941 > 2 *37 B 0.11111111111111 0.22222222222222 0.37500000000000 10.811 > 3 38 B 0.44444444444444 0.22222222222222 0.37500000000000 10.811 > 3 39 B 0.77777777777778 0.22222222222222 0.37500000000000 10.811 > 3 40 B 0.11111111111111 0.55555555555556 0.37500000000000 10.811 > 3 41 B 0.44444444444444 0.55555555555556 0.37500000000000 10.811 > 3 42 B 0.77777777777778 0.55555555555556 0.37500000000000 10.811 > 3 43 B 0.11111111111111 0.88888888888889 0.37500000000000 10.811 > 3 44 B 0.44444444444444 0.88888888888889 0.37500000000000 10.811 > 3 45 B 0.77777777777778 0.88888888888889 0.37500000000000 10.811 > 3 46 B 0.11111111111111 0.22222222222222 0.87500000000000 10.811 > 3 47 B 0.44444444444444 0.22222222222222 0.87500000000000 10.811 > 3 48 B 0.77777777777778 0.22222222222222 0.87500000000000 10.811 > 3 49 B 0.11111111111111 0.55555555555556 0.87500000000000 10.811 > 3 50 B 0.44444444444444 0.55555555555556 0.87500000000000 10.811 > 3 51 B 0.77777777777778 0.55555555555556 0.87500000000000 10.811 > 3 52 B 0.11111111111111 0.88888888888889 0.87500000000000 10.811 > 3 53 B 0.44444444444444 0.88888888888889 0.87500000000000 10.811 > 3 54 B 0.77777777777778 0.88888888888889 0.87500000000000 10.811 > 3 55 B 0.22222222222222 0.11111111111111 0.12500000000000 10.811 > 4 56 B 0.55555555555556 0.11111111111111 0.12500000000000 10.811 > 4 57 B 0.88888888888889 0.11111111111111 0.12500000000000 10.811 > 4 58 B 0.22222222222222 0.44444444444444 0.12500000000000 10.811 > 4 59 B 0.55555555555556 0.44444444444444 0.12500000000000 10.811 > 4 60 B 0.88888888888889 0.44444444444444 0.12500000000000 10.811 > 4 61 B 0.22222222222222 0.77777777777778 0.12500000000000 10.811 > 4 62 B 0.55555555555556 0.77777777777778 0.12500000000000 10.811 > 4 63 B 0.88888888888889 0.77777777777778 0.12500000000000 10.811 > 4 64 B 0.22222222222222 0.11111111111111 0.62500000000000 10.811 > 4 65 B 0.55555555555556 0.11111111111111 0.62500000000000 10.811 > 4 66 B 0.88888888888889 0.11111111111111 0.62500000000000 10.811 > 4 67 B 0.22222222222222 0.44444444444444 0.62500000000000 10.811 > 4 68 B 0.55555555555556 0.44444444444444 0.62500000000000 10.811 > 4 69 B 0.88888888888889 0.44444444444444 0.62500000000000 10.811 > 4 70 B 0.22222222222222 0.77777777777778 0.62500000000000 10.811 > 4 71 B 0.55555555555556 0.77777777777778 0.62500000000000 10.811 > 4 72 B 0.88888888888889 0.77777777777778 0.62500000000000 10.811 > 4 *73 C 0.11111111111111 0.22222222222222 0.12500000000000 12.011 > 5 74 C 0.44444444444444 0.22222222222222 0.12500000000000 12.011 > 5 75 C 0.77777777777778 0.22222222222222 0.12500000000000 12.011 > 5 76 C 0.11111111111111 0.55555555555556 0.12500000000000 12.011 > 5 77 C 0.44444444444444 0.55555555555556 0.12500000000000 12.011 > 5 78 C 0.77777777777778 0.55555555555556 0.12500000000000 12.011 > 5 79 C 0.11111111111111 0.88888888888889 0.12500000000000 12.011 > 5 80 C 0.44444444444444 0.88888888888889 0.12500000000000 12.011 > 5 81 C 0.77777777777778 0.88888888888889 0.12500000000000 12.011 > 5 82 C 0.11111111111111 0.22222222222222 0.62500000000000 12.011 > 5 83 C 0.44444444444444 0.22222222222222 0.62500000000000 12.011 > 5 84 C 0.77777777777778 0.22222222222222 0.62500000000000 12.011 > 5 85 C 0.11111111111111 0.55555555555556 0.62500000000000 12.011 > 5 86 C 0.44444444444444 0.55555555555556 0.62500000000000 12.011 > 5 87 C 0.77777777777778 0.55555555555556 0.62500000000000 12.011 > 5 88 C 0.11111111111111 0.88888888888889 0.62500000000000 12.011 > 5 89 C 0.44444444444444 0.88888888888889 0.62500000000000 12.011 > 5 90 C 0.77777777777778 0.88888888888889 0.62500000000000 12.011 > 5 91 C 0.22222222222222 0.11111111111111 0.37500000000000 12.011 > 6 92 C 0.55555555555556 0.11111111111111 0.37500000000000 12.011 > 6 93 C 0.88888888888889 0.11111111111111 0.37500000000000 12.011 > 6 94 C 0.22222222222222 0.44444444444444 0.37500000000000 12.011 > 6 95 C 0.55555555555556 0.44444444444444 0.37500000000000 12.011 > 6 96 C 0.88888888888889 0.44444444444444 0.37500000000000 12.011 > 6 97 C 0.22222222222222 0.77777777777778 0.37500000000000 12.011 > 6 98 C 0.55555555555556 0.77777777777778 0.37500000000000 12.011 > 6 99 C 0.88888888888889 0.77777777777778 0.37500000000000 12.011 > 6 100 C 0.22222222222222 0.11111111111111 0.87500000000000 12.011 > 6 101 C 0.55555555555556 0.11111111111111 0.87500000000000 12.011 > 6 102 C 0.88888888888889 0.11111111111111 0.87500000000000 12.011 > 6 103 C 0.22222222222222 0.44444444444444 0.87500000000000 12.011 > 6 104 C 0.55555555555556 0.44444444444444 0.87500000000000 12.011 > 6 105 C 0.88888888888889 0.44444444444444 0.87500000000000 12.011 > 6 106 C 0.22222222222222 0.77777777777778 0.87500000000000 12.011 > 6 107 C 0.55555555555556 0.77777777777778 0.87500000000000 12.011 > 6 108 C 0.88888888888889 0.77777777777778 0.87500000000000 12.011 > 6----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 12.5340154 -0.0000000 0.0000000 0.0000000 12.5340154 0.0000000 0.0000000 0.0000000 12.7290833-------------------------- Born effective charges -------------------------- 1 Li 0.7948716 0.0000000 0.0000000 0.0000000 0.7948716 0.0000000 0.0000000 0.0000000 1.4647354 2 Li 0.7948716 0.0000000 0.0000000 0.0000000 0.7948716 0.0000000 0.0000000 0.0000000 1.4647354 3 B 2.2963603 -0.0000000 0.0000000 0.0000000 2.2963603 0.0000000 0.0000000 0.0000000 0.5783339 4 B 2.2963603 -0.0000000 0.0000000 0.0000000 2.2963603 0.0000000 0.0000000 0.0000000 0.5783339 5 C -3.0912318 0.0000000 0.0000000 0.0000000 -3.0912318 0.0000000 0.0000000 0.0000000 -2.0430693 6 C -3.0912318 0.0000000 0.0000000 0.0000000 -3.0912318 0.0000000 0.0000000 0.0000000 -2.0430693----------------------------------------------------------------------------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: 324/324Permutation basis: 3366/3366Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 175Number of blocks in projector: 181Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 88Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 49Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 38Use standard eigh solver.Tree of FC basis block matrices:- (175, 169), data: False|-- (38, 38), data: True|-- (49, 46), data: True|-- (88, 85), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.004Solver_block: 80 / 80 - Time: 0.084Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.089--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 324/324Permutation basis: 3366/3366Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 175Number of blocks in projector: 181Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 88Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 49Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 38Use standard eigh solver.Tree of FC basis block matrices:- (175, 169), data: False|-- (38, 38), data: True|-- (49, 46), data: True|-- (88, 85), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:15:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:15:23]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal 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: P6_3/mmc (194)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.739839741239217 0.000000000000000 0.000000000000000 b -1.369919870619608 2.372770818211345 0.000000000000000 c 0.000000000000000 0.000000000000000 6.941160430000000Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 B 0.33333333333333 0.66666666666667 0.75000000000000 10.811 4 B 0.66666666666667 0.33333333333333 0.25000000000000 10.811 5 C 0.33333333333333 0.66666666666667 0.25000000000000 12.011 6 C 0.66666666666667 0.33333333333333 0.75000000000000 12.011-------------------------------- supercell ---------------------------------Lattice vectors: a 8.219519223717651 0.000000000000000 0.000000000000000 b -4.109759611858824 7.118312454634035 0.000000000000000 c 0.000000000000000 0.000000000000000 13.882320860000000Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 1 8 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 1 9 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 19 20 Li 0.33333333333333 0.00000000000000 0.25000000000000 6.941 > 19 21 Li 0.66666666666667 0.00000000000000 0.25000000000000 6.941 > 19 22 Li 0.00000000000000 0.33333333333333 0.25000000000000 6.941 > 19 23 Li 0.33333333333333 0.33333333333333 0.25000000000000 6.941 > 19 24 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 19 25 Li 0.00000000000000 0.66666666666667 0.25000000000000 6.941 > 19 26 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 > 19 27 Li 0.66666666666667 0.66666666666667 0.25000000000000 6.941 > 19 28 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 19 29 Li 0.33333333333333 0.00000000000000 0.75000000000000 6.941 > 19 30 Li 0.66666666666667 0.00000000000000 0.75000000000000 6.941 > 19 31 Li 0.00000000000000 0.33333333333333 0.75000000000000 6.941 > 19 32 Li 0.33333333333333 0.33333333333333 0.75000000000000 6.941 > 19 33 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 > 19 34 Li 0.00000000000000 0.66666666666667 0.75000000000000 6.941 > 19 35 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 19 36 Li 0.66666666666667 0.66666666666667 0.75000000000000 6.941 > 19 37 B 0.11111111111111 0.22222222222222 0.37500000000000 10.811 > 37 38 B 0.44444444444444 0.22222222222222 0.37500000000000 10.811 > 37 39 B 0.77777777777778 0.22222222222222 0.37500000000000 10.811 > 37 40 B 0.11111111111111 0.55555555555556 0.37500000000000 10.811 > 37 41 B 0.44444444444444 0.55555555555556 0.37500000000000 10.811 > 37 42 B 0.77777777777778 0.55555555555556 0.37500000000000 10.811 > 37 43 B 0.11111111111111 0.88888888888889 0.37500000000000 10.811 > 37 44 B 0.44444444444444 0.88888888888889 0.37500000000000 10.811 > 37 45 B 0.77777777777778 0.88888888888889 0.37500000000000 10.811 > 37 46 B 0.11111111111111 0.22222222222222 0.87500000000000 10.811 > 37 47 B 0.44444444444444 0.22222222222222 0.87500000000000 10.811 > 37 48 B 0.77777777777778 0.22222222222222 0.87500000000000 10.811 > 37 49 B 0.11111111111111 0.55555555555556 0.87500000000000 10.811 > 37 50 B 0.44444444444444 0.55555555555556 0.87500000000000 10.811 > 37 51 B 0.77777777777778 0.55555555555556 0.87500000000000 10.811 > 37 52 B 0.11111111111111 0.88888888888889 0.87500000000000 10.811 > 37 53 B 0.44444444444444 0.88888888888889 0.87500000000000 10.811 > 37 54 B 0.77777777777778 0.88888888888889 0.87500000000000 10.811 > 37 55 B 0.22222222222222 0.11111111111111 0.12500000000000 10.811 > 55 56 B 0.55555555555556 0.11111111111111 0.12500000000000 10.811 > 55 57 B 0.88888888888889 0.11111111111111 0.12500000000000 10.811 > 55 58 B 0.22222222222222 0.44444444444444 0.12500000000000 10.811 > 55 59 B 0.55555555555556 0.44444444444444 0.12500000000000 10.811 > 55 60 B 0.88888888888889 0.44444444444444 0.12500000000000 10.811 > 55 61 B 0.22222222222222 0.77777777777778 0.12500000000000 10.811 > 55 62 B 0.55555555555556 0.77777777777778 0.12500000000000 10.811 > 55 63 B 0.88888888888889 0.77777777777778 0.12500000000000 10.811 > 55 64 B 0.22222222222222 0.11111111111111 0.62500000000000 10.811 > 55 65 B 0.55555555555556 0.11111111111111 0.62500000000000 10.811 > 55 66 B 0.88888888888889 0.11111111111111 0.62500000000000 10.811 > 55 67 B 0.22222222222222 0.44444444444444 0.62500000000000 10.811 > 55 68 B 0.55555555555556 0.44444444444444 0.62500000000000 10.811 > 55 69 B 0.88888888888889 0.44444444444444 0.62500000000000 10.811 > 55 70 B 0.22222222222222 0.77777777777778 0.62500000000000 10.811 > 55 71 B 0.55555555555556 0.77777777777778 0.62500000000000 10.811 > 55 72 B 0.88888888888889 0.77777777777778 0.62500000000000 10.811 > 55 73 C 0.11111111111111 0.22222222222222 0.12500000000000 12.011 > 73 74 C 0.44444444444444 0.22222222222222 0.12500000000000 12.011 > 73 75 C 0.77777777777778 0.22222222222222 0.12500000000000 12.011 > 73 76 C 0.11111111111111 0.55555555555556 0.12500000000000 12.011 > 73 77 C 0.44444444444444 0.55555555555556 0.12500000000000 12.011 > 73 78 C 0.77777777777778 0.55555555555556 0.12500000000000 12.011 > 73 79 C 0.11111111111111 0.88888888888889 0.12500000000000 12.011 > 73 80 C 0.44444444444444 0.88888888888889 0.12500000000000 12.011 > 73 81 C 0.77777777777778 0.88888888888889 0.12500000000000 12.011 > 73 82 C 0.11111111111111 0.22222222222222 0.62500000000000 12.011 > 73 83 C 0.44444444444444 0.22222222222222 0.62500000000000 12.011 > 73 84 C 0.77777777777778 0.22222222222222 0.62500000000000 12.011 > 73 85 C 0.11111111111111 0.55555555555556 0.62500000000000 12.011 > 73 86 C 0.44444444444444 0.55555555555556 0.62500000000000 12.011 > 73 87 C 0.77777777777778 0.55555555555556 0.62500000000000 12.011 > 73 88 C 0.11111111111111 0.88888888888889 0.62500000000000 12.011 > 73 89 C 0.44444444444444 0.88888888888889 0.62500000000000 12.011 > 73 90 C 0.77777777777778 0.88888888888889 0.62500000000000 12.011 > 73 91 C 0.22222222222222 0.11111111111111 0.37500000000000 12.011 > 91 92 C 0.55555555555556 0.11111111111111 0.37500000000000 12.011 > 91 93 C 0.88888888888889 0.11111111111111 0.37500000000000 12.011 > 91 94 C 0.22222222222222 0.44444444444444 0.37500000000000 12.011 > 91 95 C 0.55555555555556 0.44444444444444 0.37500000000000 12.011 > 91 96 C 0.88888888888889 0.44444444444444 0.37500000000000 12.011 > 91 97 C 0.22222222222222 0.77777777777778 0.37500000000000 12.011 > 91 98 C 0.55555555555556 0.77777777777778 0.37500000000000 12.011 > 91 99 C 0.88888888888889 0.77777777777778 0.37500000000000 12.011 > 91 100 C 0.22222222222222 0.11111111111111 0.87500000000000 12.011 > 91 101 C 0.55555555555556 0.11111111111111 0.87500000000000 12.011 > 91 102 C 0.88888888888889 0.11111111111111 0.87500000000000 12.011 > 91 103 C 0.22222222222222 0.44444444444444 0.87500000000000 12.011 > 91 104 C 0.55555555555556 0.44444444444444 0.87500000000000 12.011 > 91 105 C 0.88888888888889 0.44444444444444 0.87500000000000 12.011 > 91 106 C 0.22222222222222 0.77777777777778 0.87500000000000 12.011 > 91 107 C 0.55555555555556 0.77777777777778 0.87500000000000 12.011 > 91 108 C 0.88888888888889 0.77777777777778 0.87500000000000 12.011 > 91----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 12.5340154 -0.0000000 0.0000000 0.0000000 12.5340154 0.0000000 0.0000000 0.0000000 12.7290833-------------------------- Born effective charges -------------------------- 1 Li 0.7948716 0.0000000 0.0000000 0.0000000 0.7948716 0.0000000 0.0000000 0.0000000 1.4647354 2 Li 0.7948716 0.0000000 0.0000000 0.0000000 0.7948716 0.0000000 0.0000000 0.0000000 1.4647354 3 B 2.2963603 -0.0000000 0.0000000 0.0000000 2.2963603 0.0000000 0.0000000 0.0000000 0.5783339 4 B 2.2963603 -0.0000000 0.0000000 0.0000000 2.2963603 0.0000000 0.0000000 0.0000000 0.5783339 5 C -3.0912318 0.0000000 0.0000000 0.0000000 -3.0912318 0.0000000 0.0000000 0.0000000 -2.0430693 6 C -3.0912318 0.0000000 0.0000000 0.0000000 -3.0912318 0.0000000 0.0000000 0.0000000 -2.0430693----------------------------------------------------------------------------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[ 37, 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[ 73, 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 (yzz) -0.00000000 (yzz) -0.00000000 (yzz)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): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 23:15:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:15:28]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.739839741239217 0.000000000000000 0.000000000000000 b -1.369919870619608 2.372770818211345 0.000000000000000 c 0.000000000000000 0.000000000000000 6.941160430000000Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 B 0.33333333333333 0.66666666666667 0.75000000000000 10.811 4 B 0.66666666666667 0.33333333333333 0.25000000000000 10.811 5 C 0.33333333333333 0.66666666666667 0.25000000000000 12.011 6 C 0.66666666666667 0.33333333333333 0.75000000000000 12.011-------------------------------- supercell ---------------------------------Lattice vectors: a 8.219519223717651 0.000000000000000 0.000000000000000 b -4.109759611858824 7.118312454634035 0.000000000000000 c 0.000000000000000 0.000000000000000 13.882320860000000Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 1 8 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 1 9 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 19 20 Li 0.33333333333333 0.00000000000000 0.25000000000000 6.941 > 19 21 Li 0.66666666666667 0.00000000000000 0.25000000000000 6.941 > 19 22 Li 0.00000000000000 0.33333333333333 0.25000000000000 6.941 > 19 23 Li 0.33333333333333 0.33333333333333 0.25000000000000 6.941 > 19 24 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 19 25 Li 0.00000000000000 0.66666666666667 0.25000000000000 6.941 > 19 26 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 > 19 27 Li 0.66666666666667 0.66666666666667 0.25000000000000 6.941 > 19 28 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 19 29 Li 0.33333333333333 0.00000000000000 0.75000000000000 6.941 > 19 30 Li 0.66666666666667 0.00000000000000 0.75000000000000 6.941 > 19 31 Li 0.00000000000000 0.33333333333333 0.75000000000000 6.941 > 19 32 Li 0.33333333333333 0.33333333333333 0.75000000000000 6.941 > 19 33 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 > 19 34 Li 0.00000000000000 0.66666666666667 0.75000000000000 6.941 > 19 35 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 19 36 Li 0.66666666666667 0.66666666666667 0.75000000000000 6.941 > 19 37 B 0.11111111111111 0.22222222222222 0.37500000000000 10.811 > 37 38 B 0.44444444444444 0.22222222222222 0.37500000000000 10.811 > 37 39 B 0.77777777777778 0.22222222222222 0.37500000000000 10.811 > 37 40 B 0.11111111111111 0.55555555555556 0.37500000000000 10.811 > 37 41 B 0.44444444444444 0.55555555555556 0.37500000000000 10.811 > 37 42 B 0.77777777777778 0.55555555555556 0.37500000000000 10.811 > 37 43 B 0.11111111111111 0.88888888888889 0.37500000000000 10.811 > 37 44 B 0.44444444444444 0.88888888888889 0.37500000000000 10.811 > 37 45 B 0.77777777777778 0.88888888888889 0.37500000000000 10.811 > 37 46 B 0.11111111111111 0.22222222222222 0.87500000000000 10.811 > 37 47 B 0.44444444444444 0.22222222222222 0.87500000000000 10.811 > 37 48 B 0.77777777777778 0.22222222222222 0.87500000000000 10.811 > 37 49 B 0.11111111111111 0.55555555555556 0.87500000000000 10.811 > 37 50 B 0.44444444444444 0.55555555555556 0.87500000000000 10.811 > 37 51 B 0.77777777777778 0.55555555555556 0.87500000000000 10.811 > 37 52 B 0.11111111111111 0.88888888888889 0.87500000000000 10.811 > 37 53 B 0.44444444444444 0.88888888888889 0.87500000000000 10.811 > 37 54 B 0.77777777777778 0.88888888888889 0.87500000000000 10.811 > 37 55 B 0.22222222222222 0.11111111111111 0.12500000000000 10.811 > 55 56 B 0.55555555555556 0.11111111111111 0.12500000000000 10.811 > 55 57 B 0.88888888888889 0.11111111111111 0.12500000000000 10.811 > 55 58 B 0.22222222222222 0.44444444444444 0.12500000000000 10.811 > 55 59 B 0.55555555555556 0.44444444444444 0.12500000000000 10.811 > 55 60 B 0.88888888888889 0.44444444444444 0.12500000000000 10.811 > 55 61 B 0.22222222222222 0.77777777777778 0.12500000000000 10.811 > 55 62 B 0.55555555555556 0.77777777777778 0.12500000000000 10.811 > 55 63 B 0.88888888888889 0.77777777777778 0.12500000000000 10.811 > 55 64 B 0.22222222222222 0.11111111111111 0.62500000000000 10.811 > 55 65 B 0.55555555555556 0.11111111111111 0.62500000000000 10.811 > 55 66 B 0.88888888888889 0.11111111111111 0.62500000000000 10.811 > 55 67 B 0.22222222222222 0.44444444444444 0.62500000000000 10.811 > 55 68 B 0.55555555555556 0.44444444444444 0.62500000000000 10.811 > 55 69 B 0.88888888888889 0.44444444444444 0.62500000000000 10.811 > 55 70 B 0.22222222222222 0.77777777777778 0.62500000000000 10.811 > 55 71 B 0.55555555555556 0.77777777777778 0.62500000000000 10.811 > 55 72 B 0.88888888888889 0.77777777777778 0.62500000000000 10.811 > 55 73 C 0.11111111111111 0.22222222222222 0.12500000000000 12.011 > 73 74 C 0.44444444444444 0.22222222222222 0.12500000000000 12.011 > 73 75 C 0.77777777777778 0.22222222222222 0.12500000000000 12.011 > 73 76 C 0.11111111111111 0.55555555555556 0.12500000000000 12.011 > 73 77 C 0.44444444444444 0.55555555555556 0.12500000000000 12.011 > 73 78 C 0.77777777777778 0.55555555555556 0.12500000000000 12.011 > 73 79 C 0.11111111111111 0.88888888888889 0.12500000000000 12.011 > 73 80 C 0.44444444444444 0.88888888888889 0.12500000000000 12.011 > 73 81 C 0.77777777777778 0.88888888888889 0.12500000000000 12.011 > 73 82 C 0.11111111111111 0.22222222222222 0.62500000000000 12.011 > 73 83 C 0.44444444444444 0.22222222222222 0.62500000000000 12.011 > 73 84 C 0.77777777777778 0.22222222222222 0.62500000000000 12.011 > 73 85 C 0.11111111111111 0.55555555555556 0.62500000000000 12.011 > 73 86 C 0.44444444444444 0.55555555555556 0.62500000000000 12.011 > 73 87 C 0.77777777777778 0.55555555555556 0.62500000000000 12.011 > 73 88 C 0.11111111111111 0.88888888888889 0.62500000000000 12.011 > 73 89 C 0.44444444444444 0.88888888888889 0.62500000000000 12.011 > 73 90 C 0.77777777777778 0.88888888888889 0.62500000000000 12.011 > 73 91 C 0.22222222222222 0.11111111111111 0.37500000000000 12.011 > 91 92 C 0.55555555555556 0.11111111111111 0.37500000000000 12.011 > 91 93 C 0.88888888888889 0.11111111111111 0.37500000000000 12.011 > 91 94 C 0.22222222222222 0.44444444444444 0.37500000000000 12.011 > 91 95 C 0.55555555555556 0.44444444444444 0.37500000000000 12.011 > 91 96 C 0.88888888888889 0.44444444444444 0.37500000000000 12.011 > 91 97 C 0.22222222222222 0.77777777777778 0.37500000000000 12.011 > 91 98 C 0.55555555555556 0.77777777777778 0.37500000000000 12.011 > 91 99 C 0.88888888888889 0.77777777777778 0.37500000000000 12.011 > 91 100 C 0.22222222222222 0.11111111111111 0.87500000000000 12.011 > 91 101 C 0.55555555555556 0.11111111111111 0.87500000000000 12.011 > 91 102 C 0.88888888888889 0.11111111111111 0.87500000000000 12.011 > 91 103 C 0.22222222222222 0.44444444444444 0.87500000000000 12.011 > 91 104 C 0.55555555555556 0.44444444444444 0.87500000000000 12.011 > 91 105 C 0.88888888888889 0.44444444444444 0.87500000000000 12.011 > 91 106 C 0.22222222222222 0.77777777777778 0.87500000000000 12.011 > 91 107 C 0.55555555555556 0.77777777777778 0.87500000000000 12.011 > 91 108 C 0.88888888888889 0.77777777777778 0.87500000000000 12.011 > 91----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 12.5340154 -0.0000000 0.0000000 0.0000000 12.5340154 0.0000000 0.0000000 0.0000000 12.7290833-------------------------- Born effective charges -------------------------- 1 Li 0.7948716 0.0000000 0.0000000 0.0000000 0.7948716 0.0000000 0.0000000 0.0000000 1.4647354 2 Li 0.7948716 0.0000000 0.0000000 0.0000000 0.7948716 0.0000000 0.0000000 0.0000000 1.4647354 3 B 2.2963603 -0.0000000 0.0000000 0.0000000 2.2963603 0.0000000 0.0000000 0.0000000 0.5783339 4 B 2.2963603 -0.0000000 0.0000000 0.0000000 2.2963603 0.0000000 0.0000000 0.0000000 0.5783339 5 C -3.0912318 0.0000000 0.0000000 0.0000000 -3.0912318 0.0000000 0.0000000 0.0000000 -2.0430693 6 C -3.0912318 0.0000000 0.0000000 0.0000000 -3.0912318 0.0000000 0.0000000 0.0000000 -2.0430693----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yzz) -0.00000000 (yzz) -0.00000000 (yzz)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 21 21 7 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.17, Number of G-points: 311, Lambda: 0.43Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/192) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 5.431 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 12.430 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 23.976 ( 0.000 0.000 0.000) 0.000 24.619 ( 0.000 0.000 0.000) 0.000 35.081 ( 0.000 0.000 0.000) 0.000 35.081 ( 0.000 0.000 0.000) 0.000 35.284 ( 0.000 0.000 0.000) 0.000 35.284 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/192) =======================q-point: ( 0.05 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( 36.521 21.086 0.000) 42.171 2.026 ( 86.269 49.808 0.000) 99.615 3.327 ( 141.388 81.630 0.000) 163.261 5.844 ( 34.123 19.701 0.000) 39.402 6.476 ( 82.002 47.344 0.000) 94.688 8.859 ( -11.864 -6.850 0.000) 13.700 9.420 ( 3.058 1.766 0.000) 3.531 9.681 ( 19.099 11.027 0.000) 22.053 10.923 ( 5.560 3.210 0.000) 6.420 11.775 ( 14.040 8.106 0.000) 16.212 12.397 ( -2.828 -1.633 0.000) 3.265 15.616 ( -10.364 -5.983 0.000) 11.967 23.980 ( 0.220 0.127 0.000) 0.255 24.603 ( -1.396 -0.806 0.000) 1.612 35.017 ( -5.492 -3.171 0.000) 6.342 35.206 ( -6.719 -3.879 0.000) 7.759 35.351 ( 5.506 3.179 0.000) 6.358 37.770 ( -2.330 -1.345 0.000) 2.690======================= Grid point 2 (3/192) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 39.586 22.855 0.000) 45.710 3.971 ( 80.935 46.728 0.000) 93.456 6.481 ( 128.605 74.250 0.000) 148.500 6.908 ( 55.325 31.942 0.000) 63.883 8.604 ( -9.653 -5.573 0.000) 11.146 8.803 ( 111.285 64.250 0.000) 128.501 9.523 ( 5.790 3.343 0.000) 6.686 10.188 ( 24.256 14.004 0.000) 28.008 11.120 ( 11.496 6.637 0.000) 13.275 12.301 ( 32.785 18.928 0.000) 37.857 12.302 ( -5.234 -3.022 0.000) 6.044 15.300 ( -15.260 -8.811 0.000) 17.621 23.977 ( -0.779 -0.450 0.000) 0.899 24.548 ( -3.593 -2.074 0.000) 4.149 34.826 ( -11.032 -6.369 0.000) 12.739 34.975 ( -13.182 -7.611 0.000) 15.222 35.518 ( 8.232 4.753 0.000) 9.506 37.684 ( -5.318 -3.070 0.000) 6.141======================= Grid point 3 (4/192) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.676 ( 44.116 25.470 0.000) 50.941 5.747 ( 71.719 41.407 0.000) 82.814 8.313 ( 64.290 37.118 0.000) 74.236 8.431 ( -4.751 -2.743 0.000) 5.485 9.132 ( 96.094 55.480 0.000) 110.960 9.683 ( 7.922 4.574 0.000) 9.148 10.789 ( 27.148 15.674 0.000) 31.348 11.318 ( 96.806 55.891 0.000) 111.781 11.463 ( 18.320 10.577 0.000) 21.154 12.161 ( -6.683 -3.858 0.000) 7.716 13.405 ( 65.185 37.634 0.000) 75.269 15.070 ( 3.090 1.784 0.000) 3.568 23.928 ( -3.840 -2.217 0.000) 4.434 24.426 ( -7.209 -4.162 0.000) 8.325 34.506 ( -16.543 -9.551 0.000) 19.102 34.600 ( -19.085 -11.019 0.000) 22.038 35.700 ( 6.803 3.928 0.000) 7.855 37.515 ( -9.474 -5.470 0.000) 10.939======================= Grid point 4 (5/192) =======================q-point: ( 0.19 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.758 ( 49.391 28.516 0.000) 57.032 7.264 ( 58.656 33.865 0.000) 67.730 8.412 ( 3.656 2.111 0.000) 4.221 9.830 ( 65.696 37.929 0.000) 75.859 9.884 ( 9.270 5.352 0.000) 10.704 10.858 ( 55.193 31.866 0.000) 63.731 11.413 ( 25.205 14.552 0.000) 29.104 11.978 ( 26.322 15.197 0.000) 30.394 12.014 ( -4.736 -2.734 0.000) 5.468 12.646 ( 12.242 7.068 0.000) 14.135 15.362 ( 102.482 59.168 0.000) 118.336 16.047 ( 84.653 48.874 0.000) 97.749 23.781 ( -9.198 -5.310 0.000) 10.621 24.201 ( -12.446 -7.186 0.000) 14.371 34.062 ( -21.747 -12.556 0.000) 25.112 34.098 ( -24.021 -13.868 0.000) 27.737 35.802 ( 1.377 0.795 0.000) 1.591 37.234 ( -15.050 -8.689 0.000) 17.379======================= Grid point 5 (6/192) =======================q-point: ( 0.24 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.964 ( 54.515 31.474 0.000) 62.948 8.449 ( 43.503 25.117 0.000) 50.233 8.625 ( 15.182 8.766 0.000) 17.531 10.106 ( 9.747 5.627 0.000) 11.255 11.323 ( 62.555 36.116 0.000) 72.232 11.700 ( -2.637 -1.522 0.000) 3.045 11.860 ( 33.475 19.327 0.000) 38.653 12.187 ( 21.608 12.475 0.000) 24.951 12.439 ( -18.849 -10.882 0.000) 21.765 12.682 ( 34.165 19.725 0.000) 39.450 17.962 ( 117.327 67.739 0.000) 135.477 18.427 ( 111.229 64.218 0.000) 128.437 23.486 ( -16.456 -9.501 0.000) 19.001 23.840 ( -18.837 -10.875 0.000) 21.751 33.494 ( -27.444 -15.845 0.000) 31.690 33.509 ( -26.142 -15.093 0.000) 30.186 35.740 ( -7.108 -4.104 0.000) 8.208 36.807 ( -22.011 -12.708 0.000) 25.416======================= Grid point 6 (7/192) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.275 ( 58.307 33.664 0.000) 67.328 9.122 ( 27.507 15.881 0.000) 31.762 9.293 ( 29.923 17.276 0.000) 34.553 10.329 ( 9.357 5.402 0.000) 10.804 11.581 ( -5.497 -3.174 0.000) 6.348 11.871 ( -22.237 -12.839 0.000) 25.677 12.604 ( 25.529 14.739 0.000) 29.478 12.705 ( 56.316 32.514 0.000) 65.028 12.716 ( 21.673 12.513 0.000) 25.026 13.534 ( 38.501 22.229 0.000) 44.457 20.676 ( 115.551 66.713 0.000) 133.427 21.011 ( 110.201 63.624 0.000) 127.249 23.010 ( -24.715 -14.269 0.000) 28.538 23.329 ( -25.053 -14.464 0.000) 28.928 32.832 ( -29.199 -16.858 0.000) 33.717 32.872 ( -28.497 -16.453 0.000) 32.906 35.457 ( -17.635 -10.181 0.000) 20.363 36.205 ( -30.049 -17.349 0.000) 34.697======================= Grid point 7 (8/192) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.643 ( 59.011 34.070 0.000) 68.140 9.864 ( 19.949 11.517 0.000) 23.035 9.876 ( 36.645 21.157 0.000) 42.314 10.534 ( 8.178 4.721 0.000) 9.443 11.378 ( -19.462 -11.236 0.000) 22.473 11.484 ( -2.161 -1.248 0.000) 2.495 13.138 ( 20.348 11.748 0.000) 23.496 13.148 ( 15.095 8.715 0.000) 17.431 13.913 ( 47.557 27.457 0.000) 54.914 14.423 ( 37.332 21.553 0.000) 43.107 22.345 ( -32.329 -18.665 0.000) 37.330 22.695 ( -29.100 -16.801 0.000) 33.602 23.275 ( 108.074 62.397 0.000) 124.794 23.496 ( 103.823 59.942 0.000) 119.885 32.160 ( -28.323 -16.352 0.000) 32.705 32.209 ( -28.194 -16.278 0.000) 32.556 34.914 ( -29.403 -16.976 0.000) 33.952 35.410 ( -38.626 -22.301 0.000) 44.602======================= Grid point 8 (9/192) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.960 ( 53.054 30.631 0.000) 61.261 10.240 ( 12.833 7.409 0.000) 14.818 10.703 ( 6.339 3.660 0.000) 7.319 10.738 ( 34.691 20.029 0.000) 40.057 10.987 ( -14.046 -8.110 0.000) 16.219 11.540 ( 9.506 5.488 0.000) 10.977 13.391 ( 5.429 3.135 0.000) 6.269 13.545 ( 14.745 8.513 0.000) 17.026 14.891 ( 36.383 21.006 0.000) 42.012 15.226 ( 31.150 17.985 0.000) 35.969 21.541 ( -36.080 -20.831 0.000) 41.661 22.013 ( -28.926 -16.701 0.000) 33.401 25.662 ( 97.567 56.330 0.000) 112.660 25.812 ( 95.896 55.366 0.000) 110.731 31.541 ( -24.547 -14.172 0.000) 28.345 31.596 ( -24.054 -13.887 0.000) 27.775 34.089 ( -41.800 -24.133 0.000) 48.267 34.417 ( -46.952 -27.108 0.000) 54.216======================= Grid point 9 (10/192) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.982 ( 31.959 18.452 0.000) 36.903 10.471 ( 7.257 4.190 0.000) 8.379 10.729 ( -8.268 -4.774 0.000) 9.547 10.824 ( 4.007 2.313 0.000) 4.626 11.377 ( 24.134 13.934 0.000) 27.868 12.020 ( 27.847 16.078 0.000) 32.155 13.384 ( -6.083 -3.512 0.000) 7.024 13.820 ( 8.959 5.172 0.000) 10.345 15.582 ( 22.922 13.234 0.000) 26.468 15.836 ( 20.877 12.053 0.000) 24.106 20.739 ( -31.257 -18.046 0.000) 36.093 21.405 ( -22.287 -12.867 0.000) 25.734 27.782 ( 85.073 49.117 0.000) 98.234 27.922 ( 85.450 49.335 0.000) 98.670 31.051 ( -17.127 -9.888 0.000) 19.777 31.123 ( -16.197 -9.351 0.000) 18.702 32.982 ( -53.311 -30.779 0.000) 61.558 33.244 ( -53.813 -31.069 0.000) 62.138======================= Grid point 10 (11/192) =======================q-point: ( 0.48 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.405 ( 7.063 4.078 0.000) 8.156 10.582 ( 2.357 1.361 0.000) 2.722 10.602 ( -2.707 -1.563 0.000) 3.125 10.887 ( 1.370 0.791 0.000) 1.582 11.976 ( 22.699 13.105 0.000) 26.210 12.509 ( 9.229 5.328 0.000) 10.656 13.167 ( -8.897 -5.137 0.000) 10.273 13.959 ( 3.007 1.736 0.000) 3.472 15.940 ( 7.835 4.523 0.000) 9.047 16.168 ( 7.397 4.270 0.000) 8.541 20.197 ( -13.167 -7.602 0.000) 15.204 21.036 ( -8.528 -4.923 0.000) 9.847 29.528 ( 58.963 34.043 0.000) 68.085 29.687 ( 61.421 35.461 0.000) 70.922 30.775 ( -6.189 -3.573 0.000) 7.146 30.865 ( -5.735 -3.311 0.000) 6.622 31.692 ( -52.633 -30.388 0.000) 60.775 32.006 ( -46.541 -26.870 0.000) 53.740======================= Grid point 22 (12/192) =======================q-point: ( 0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 22.219 38.485 0.000) 44.439 3.531 ( 50.208 86.964 0.000) 100.417 5.554 ( 69.649 120.636 0.000) 139.299 6.751 ( 38.779 67.166 0.000) 77.557 8.010 ( 58.049 100.543 0.000) 116.097 8.666 ( -6.101 -10.568 0.000) 12.203 9.492 ( 3.100 5.369 0.000) 6.199 10.039 ( 13.226 22.909 0.000) 26.453 11.079 ( 7.388 12.797 0.000) 14.777 12.104 ( 14.778 25.597 0.000) 29.556 12.333 ( -2.695 -4.668 0.000) 5.391 15.394 ( -8.676 -15.027 0.000) 17.351 23.980 ( -0.194 -0.336 0.000) 0.388 24.568 ( -1.667 -2.888 0.000) 3.334 34.891 ( -5.449 -9.437 0.000) 10.897 35.053 ( -6.542 -11.331 0.000) 13.083 35.466 ( 4.454 7.715 0.000) 8.909 37.713 ( -2.604 -4.511 0.000) 5.209======================= Grid point 23 (13/192) =======================q-point: ( 0.10 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 32.012 36.395 0.000) 48.471 5.274 ( 53.251 76.479 0.000) 93.191 7.619 ( 64.095 57.703 0.000) 86.242 8.476 ( -5.177 -6.338 0.000) 8.183 8.569 ( 62.540 103.400 0.000) 120.842 9.631 ( 5.412 7.360 0.000) 9.136 10.178 ( 82.991 63.478 0.000) 104.484 10.562 ( 20.057 22.444 0.000) 30.100 11.491 ( 16.773 35.508 0.000) 39.270 12.214 ( -4.807 -5.638 0.000) 7.408 12.877 ( 39.652 40.229 0.000) 56.486 15.097 ( -7.081 -8.718 0.000) 11.232 23.953 ( -1.884 -2.191 0.000) 2.890 24.479 ( -4.342 -5.026 0.000) 6.642 34.638 ( -11.088 -12.381 0.000) 16.620 34.754 ( -12.931 -14.234 0.000) 19.230 35.634 ( 5.934 6.149 0.000) 8.546 37.582 ( -5.912 -7.217 0.000) 9.330======================= Grid point 24 (14/192) =======================q-point: ( 0.14 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.302 ( 39.578 36.225 0.000) 53.653 6.856 ( 46.078 64.722 0.000) 79.449 8.387 ( 0.064 -0.993 0.000) 0.995 9.218 ( 58.731 53.315 0.000) 79.321 9.822 ( 6.803 9.225 0.000) 11.462 10.430 ( 46.220 67.022 0.000) 81.414 11.162 ( 23.052 20.856 0.000) 31.086 11.587 ( 40.342 14.911 0.000) 43.009 12.063 ( -5.460 -5.839 0.000) 7.994 12.487 ( 27.763 40.364 0.000) 48.990 14.404 ( 77.071 63.184 0.000) 99.660 15.372 ( 42.112 34.970 0.000) 54.739 23.853 ( -5.669 -5.506 0.000) 7.902 24.304 ( -8.481 -8.207 0.000) 11.802 34.258 ( -16.650 -15.127 0.000) 22.496 34.323 ( -18.850 -16.351 0.000) 24.954 35.764 ( 3.640 1.808 0.000) 4.065 37.352 ( -10.359 -10.953 0.000) 15.076======================= Grid point 25 (15/192) =======================q-point: ( 0.19 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.417 ( 46.634 36.435 0.000) 59.180 8.143 ( 35.114 50.176 0.000) 61.243 8.486 ( 9.260 5.745 0.000) 10.897 10.046 ( 7.214 10.765 0.000) 12.959 10.730 ( 55.251 48.446 0.000) 73.482 11.578 ( 29.319 38.798 0.000) 48.630 11.686 ( 9.531 9.791 0.000) 13.664 11.990 ( 8.610 2.799 0.000) 9.054 12.353 ( 25.765 20.527 0.000) 32.943 12.715 ( -9.121 7.023 0.000) 11.512 16.730 ( 104.589 75.626 0.000) 129.066 17.264 ( 97.066 69.656 0.000) 119.473 23.629 ( -11.528 -10.063 0.000) 15.303 24.008 ( -14.027 -12.254 0.000) 18.626 33.759 ( -21.857 -17.509 0.000) 28.005 33.781 ( -23.627 -17.492 0.000) 29.398 35.770 ( -2.066 -4.581 0.000) 5.025 36.991 ( -16.096 -15.700 0.000) 22.485======================= Grid point 26 (16/192) =======================q-point: ( 0.24 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.648 ( 52.914 36.023 0.000) 64.012 8.841 ( 21.011 12.832 0.000) 24.619 9.086 ( 24.309 35.816 0.000) 43.287 10.282 ( 6.685 11.867 0.000) 13.621 11.650 ( -6.006 -3.013 0.000) 6.720 11.960 ( 14.693 3.225 0.000) 15.043 12.076 ( 21.532 10.707 0.000) 24.047 12.447 ( 23.123 12.643 0.000) 26.354 12.675 ( 16.175 50.755 0.000) 53.270 13.303 ( 27.079 42.246 0.000) 50.180 19.381 ( 111.824 72.385 0.000) 133.207 19.763 ( 106.931 67.577 0.000) 126.495 23.240 ( -18.898 -15.288 0.000) 24.307 23.566 ( -20.173 -16.520 0.000) 26.074 33.149 ( -26.838 -18.385 0.000) 32.531 33.171 ( -25.839 -18.230 0.000) 31.623 35.582 ( -10.335 -12.207 0.000) 15.994 36.468 ( -22.991 -21.270 0.000) 31.321======================= Grid point 27 (17/192) =======================q-point: ( 0.29 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.963 ( 57.255 34.158 0.000) 66.670 9.465 ( 32.181 18.032 0.000) 36.888 9.735 ( 16.000 25.174 0.000) 29.828 10.511 ( 5.461 12.678 0.000) 13.804 11.527 ( -4.472 -1.905 0.000) 4.861 11.567 ( -17.539 -15.810 0.000) 23.613 12.822 ( 27.775 11.516 0.000) 30.067 12.930 ( 19.330 8.406 0.000) 21.078 13.721 ( 28.620 62.389 0.000) 68.640 14.227 ( 26.140 47.041 0.000) 53.817 22.005 ( 109.870 64.659 0.000) 127.484 22.262 ( 105.875 60.142 0.000) 121.764 22.663 ( -26.712 -20.285 0.000) 33.541 22.984 ( -25.262 -19.891 0.000) 32.153 32.484 ( -28.104 -17.929 0.000) 33.336 32.523 ( -27.386 -17.685 0.000) 32.600 35.154 ( -20.352 -20.410 0.000) 28.823 35.759 ( -30.668 -27.331 0.000) 41.079======================= Grid point 28 (18/192) =======================q-point: ( 0.33 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.292 ( 57.350 29.860 0.000) 64.658 10.173 ( 9.820 18.380 0.000) 20.839 10.257 ( 35.238 15.416 0.000) 38.463 10.741 ( 6.329 16.408 0.000) 17.586 11.145 ( -14.828 -11.114 0.000) 18.531 11.486 ( 1.088 1.794 0.000) 2.099 13.263 ( 12.112 2.376 0.000) 12.343 13.321 ( 19.577 7.405 0.000) 20.931 14.776 ( 22.596 56.436 0.000) 60.792 15.112 ( 20.286 47.059 0.000) 51.245 21.920 ( -32.749 -23.551 0.000) 40.338 22.314 ( -27.303 -21.087 0.000) 34.498 24.468 ( 103.402 55.730 0.000) 117.464 24.631 ( 101.284 52.579 0.000) 114.118 31.833 ( -26.253 -16.650 0.000) 31.087 31.890 ( -25.993 -14.621 0.000) 29.822 34.457 ( -31.520 -28.730 0.000) 42.649 34.853 ( -38.515 -33.397 0.000) 50.978======================= Grid point 29 (19/192) =======================q-point: ( 0.38 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.487 ( 47.586 21.607 0.000) 52.261 10.459 ( 4.719 13.900 0.000) 14.680 10.711 ( 9.696 0.295 0.000) 9.701 10.838 ( -10.393 -6.257 0.000) 12.131 11.214 ( 18.341 23.658 0.000) 29.935 11.701 ( 21.020 9.995 0.000) 23.275 13.378 ( 1.988 -4.503 0.000) 4.923 13.664 ( 13.621 3.602 0.000) 14.089 15.605 ( 11.251 49.091 0.000) 50.364 15.843 ( 10.772 43.285 0.000) 44.605 21.099 ( -33.081 -22.799 0.000) 40.177 21.653 ( -24.218 -18.852 0.000) 30.691 26.699 ( 93.964 46.433 0.000) 104.810 26.827 ( 94.353 45.392 0.000) 104.704 31.266 ( -20.755 -13.407 0.000) 24.708 31.354 ( -20.907 -9.642 0.000) 23.023 33.479 ( -43.121 -36.769 0.000) 56.669 33.756 ( -45.660 -38.770 0.000) 59.899======================= Grid point 30 (20/192) =======================q-point: ( 0.43 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.259 ( 20.685 10.474 0.000) 23.186 10.619 ( -0.123 9.098 0.000) 9.099 10.660 ( -5.454 -0.578 0.000) 5.485 10.808 ( 5.132 -3.395 0.000) 6.154 11.737 ( 20.715 19.655 0.000) 28.556 12.271 ( 24.034 7.362 0.000) 25.136 13.247 ( -7.536 -9.343 0.000) 12.003 13.868 ( 7.954 -0.182 0.000) 7.956 16.133 ( -2.910 40.855 0.000) 40.959 16.328 ( -1.781 36.670 0.000) 36.714 20.398 ( -22.539 -15.378 0.000) 27.285 21.149 ( -14.162 -12.374 0.000) 18.806 28.647 ( 80.540 36.495 0.000) 88.423 28.783 ( 81.657 35.948 0.000) 89.219 30.873 ( -11.399 -7.784 0.000) 13.803 30.997 ( -12.185 -2.915 0.000) 12.529 32.242 ( -51.610 -42.808 0.000) 67.053 32.510 ( -49.488 -41.802 0.000) 64.781======================= Grid point 31 (21/192) =======================q-point: ( 0.48 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.469 ( -1.397 2.419 0.000) 2.793 10.596 ( -0.578 1.001 0.000) 1.156 10.678 ( -4.650 8.055 0.000) 9.301 10.837 ( 3.311 -5.735 0.000) 6.622 12.155 ( -1.607 2.784 0.000) 3.215 12.472 ( 4.446 -7.701 0.000) 8.893 13.088 ( 1.307 -2.265 0.000) 2.615 13.936 ( 2.159 -3.740 0.000) 4.319 16.314 ( -18.443 31.944 0.000) 36.886 16.499 ( -16.380 28.370 0.000) 32.759 20.107 ( 0.713 -1.235 0.000) 1.426 20.957 ( 1.674 -2.900 0.000) 3.348 29.829 ( 5.206 -9.016 0.000) 10.411 30.044 ( 4.468 -7.740 0.000) 8.937 30.740 ( 0.072 -0.124 0.000) 0.144 30.886 ( -2.361 4.090 0.000) 4.723 31.197 ( 5.554 -9.620 0.000) 11.108 31.562 ( 6.958 -12.052 0.000) 13.916======================= Grid point 45 (22/192) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.136 ( 25.929 44.911 0.000) 51.858 6.823 ( 42.844 74.209 0.000) 85.689 8.383 ( -1.261 -2.184 0.000) 2.522 8.933 ( 40.836 70.731 0.000) 81.673 9.813 ( 6.110 10.582 0.000) 12.219 10.504 ( 47.876 82.924 0.000) 95.753 11.061 ( 15.403 26.679 0.000) 30.806 11.135 ( 21.984 38.077 0.000) 43.967 12.082 ( -4.264 -7.385 0.000) 8.527 12.482 ( 26.757 46.345 0.000) 53.514 14.029 ( 44.585 77.224 0.000) 89.171 15.199 ( 17.348 30.047 0.000) 34.695 23.874 ( -3.518 -6.094 0.000) 7.037 24.336 ( -5.479 -9.490 0.000) 10.959 34.328 ( -10.645 -18.437 0.000) 21.290 34.408 ( -11.663 -20.202 0.000) 23.327 35.737 ( 2.032 3.520 0.000) 4.064 37.386 ( -7.283 -12.615 0.000) 14.567======================= Grid point 46 (23/192) =======================q-point: ( 0.14 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.106 ( 34.460 43.472 0.000) 55.473 8.158 ( 31.384 60.995 0.000) 68.596 8.418 ( 4.642 4.635 0.000) 6.560 10.048 ( 7.021 13.008 0.000) 14.782 10.359 ( 46.440 57.485 0.000) 73.900 11.603 ( 16.617 22.513 0.000) 27.981 11.675 ( 13.165 50.666 0.000) 52.348 11.934 ( -3.027 -6.748 0.000) 7.396 12.062 ( 40.547 35.798 0.000) 54.089 12.905 ( -1.286 9.907 0.000) 9.990 15.954 ( 76.592 89.666 0.000) 117.925 16.556 ( 67.355 78.737 0.000) 103.616 23.693 ( -7.997 -10.839 0.000) 13.469 24.086 ( -10.113 -13.701 0.000) 17.029 33.900 ( -16.072 -20.548 0.000) 26.087 33.949 ( -17.229 -20.778 0.000) 26.992 35.749 ( -1.182 -3.860 0.000) 4.037 37.066 ( -12.213 -17.814 0.000) 21.598======================= Grid point 47 (24/192) =======================q-point: ( 0.19 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.199 ( 42.206 41.034 0.000) 58.865 8.659 ( 14.007 11.816 0.000) 18.325 9.130 ( 19.787 45.277 0.000) 49.412 10.309 ( 6.569 15.090 0.000) 16.458 11.600 ( 39.085 36.542 0.000) 53.507 11.730 ( -6.318 -2.619 0.000) 6.839 12.025 ( -3.846 -5.768 0.000) 6.932 12.191 ( 20.896 14.236 0.000) 25.284 12.985 ( 16.649 61.099 0.000) 63.327 13.351 ( 24.237 50.937 0.000) 56.409 18.340 ( 94.364 83.574 0.000) 126.052 18.752 ( 89.297 77.143 0.000) 118.005 23.366 ( -14.126 -16.372 0.000) 21.624 23.702 ( -15.714 -18.371 0.000) 24.175 33.363 ( -20.968 -21.854 0.000) 30.287 33.402 ( -21.795 -20.086 0.000) 29.639 35.599 ( -6.954 -12.869 0.000) 14.628 36.594 ( -18.149 -24.114 0.000) 30.181======================= Grid point 48 (25/192) =======================q-point: ( 0.24 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.386 ( 48.906 37.024 0.000) 61.340 9.145 ( 24.695 17.562 0.000) 30.303 9.793 ( 12.311 33.107 0.000) 35.322 10.570 ( 5.190 16.081 0.000) 16.898 11.599 ( -5.531 -1.422 0.000) 5.711 11.675 ( -14.214 -16.835 0.000) 22.033 12.474 ( 28.686 18.923 0.000) 34.365 12.671 ( 19.727 9.192 0.000) 21.763 14.044 ( 19.969 79.468 0.000) 81.939 14.387 ( 23.365 65.483 0.000) 69.527 20.828 ( 101.069 71.130 0.000) 123.590 21.099 ( 97.171 64.878 0.000) 116.839 22.868 ( -21.188 -21.764 0.000) 30.374 23.174 ( -21.121 -22.502 0.000) 30.862 32.745 ( -24.388 -21.845 0.000) 32.742 32.802 ( -24.713 -18.272 0.000) 30.734 35.235 ( -14.690 -22.562 0.000) 26.923 35.944 ( -24.892 -31.142 0.000) 39.868======================= Grid point 49 (26/192) =======================q-point: ( 0.29 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.622 ( 53.236 31.039 0.000) 61.624 9.839 ( 32.113 19.153 0.000) 37.391 10.252 ( 7.270 25.609 0.000) 26.621 10.810 ( 4.638 15.400 0.000) 16.083 11.273 ( -13.738 -12.929 0.000) 18.865 11.530 ( -2.909 3.457 0.000) 4.518 13.039 ( 15.526 2.237 0.000) 15.686 13.046 ( 21.327 10.235 0.000) 23.656 15.163 ( 14.676 80.249 0.000) 81.580 15.413 ( 15.120 70.417 0.000) 72.022 22.200 ( -27.831 -25.715 0.000) 37.892 22.534 ( -24.495 -24.781 0.000) 34.844 23.241 ( 101.263 58.031 0.000) 116.712 23.399 ( 99.093 52.810 0.000) 112.287 32.097 ( -25.107 -20.405 0.000) 32.353 32.194 ( -25.402 -15.023 0.000) 29.512 34.627 ( -23.867 -32.220 0.000) 40.097 35.101 ( -32.002 -38.376 0.000) 49.969======================= Grid point 50 (27/192) =======================q-point: ( 0.33 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.822 ( 52.375 22.861 0.000) 57.147 10.502 ( 20.398 9.938 0.000) 22.690 10.572 ( 2.902 20.663 0.000) 20.866 10.958 ( -10.823 -6.975 0.000) 12.876 11.121 ( 16.678 17.952 0.000) 24.504 11.592 ( 2.942 10.294 0.000) 10.706 13.237 ( 8.322 -4.885 0.000) 9.649 13.441 ( 15.985 4.349 0.000) 16.566 16.120 ( 4.136 76.288 0.000) 76.400 16.293 ( 4.368 69.656 0.000) 69.793 21.414 ( -31.216 -26.343 0.000) 40.846 21.859 ( -23.939 -23.930 0.000) 33.849 25.487 ( 96.939 45.363 0.000) 107.028 25.591 ( 97.427 42.988 0.000) 106.489 31.490 ( -22.275 -17.202 0.000) 28.144 31.640 ( -22.959 -10.363 0.000) 25.190 33.754 ( -34.142 -41.372 0.000) 53.640 34.065 ( -38.748 -45.049 0.000) 59.420======================= Grid point 51 (28/192) =======================q-point: ( 0.38 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.834 ( 40.761 13.260 0.000) 42.864 10.711 ( 3.124 -0.289 0.000) 3.137 10.723 ( -4.803 1.715 0.000) 5.100 10.808 ( -3.932 13.770 0.000) 14.320 11.658 ( 15.589 18.560 0.000) 24.238 11.906 ( 22.280 10.292 0.000) 24.542 13.223 ( -0.917 -10.203 0.000) 10.244 13.695 ( 11.133 -0.447 0.000) 11.142 16.812 ( -9.490 69.979 0.000) 70.619 16.938 ( -8.465 64.880 0.000) 65.429 20.649 ( -26.940 -21.395 0.000) 34.402 21.270 ( -17.545 -19.020 0.000) 25.876 27.514 ( 89.714 34.698 0.000) 96.190 27.621 ( 90.813 33.491 0.000) 96.792 31.008 ( -15.372 -12.092 0.000) 19.558 31.214 ( -16.717 -4.639 0.000) 17.349 32.612 ( -44.351 -49.492 0.000) 66.456 32.864 ( -44.087 -49.803 0.000) 66.514======================= Grid point 52 (29/192) =======================q-point: ( 0.43 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.439 ( 16.191 7.504 0.000) 17.846 10.641 ( -3.253 0.979 0.000) 3.397 10.696 ( 0.421 -7.608 0.000) 7.620 10.894 ( -6.144 15.556 0.000) 16.725 12.080 ( 16.743 10.619 0.000) 19.827 12.281 ( 8.479 -4.021 0.000) 9.384 13.062 ( -3.308 -7.793 0.000) 8.466 13.821 ( 6.140 -4.403 0.000) 7.555 17.177 ( -25.077 61.925 0.000) 66.810 17.281 ( -23.029 57.391 0.000) 61.839 20.143 ( -10.663 -9.662 0.000) 14.390 20.918 ( -4.703 -10.532 0.000) 11.534 29.215 ( 65.175 18.618 0.000) 67.782 29.351 ( 72.155 20.535 0.000) 75.020 30.739 ( -4.367 -5.869 0.000) 7.316 30.992 ( -6.741 -1.209 0.000) 6.848 31.292 ( -41.213 -48.329 0.000) 63.516 31.603 ( -39.214 -45.988 0.000) 60.437======================= Grid point 67 (30/192) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.034 ( 28.097 48.666 0.000) 56.194 8.596 ( 7.822 13.548 0.000) 15.644 9.206 ( 24.707 42.793 0.000) 49.413 10.332 ( 8.610 14.912 0.000) 17.219 11.430 ( 27.445 47.537 0.000) 54.891 11.788 ( -3.702 -6.412 0.000) 7.404 12.036 ( -4.165 -7.213 0.000) 8.329 12.060 ( 12.476 21.610 0.000) 24.953 13.183 ( 37.872 65.595 0.000) 75.743 13.400 ( 26.190 45.363 0.000) 52.381 17.913 ( 59.801 103.578 0.000) 119.602 18.339 ( 55.287 95.761 0.000) 110.575 23.406 ( -10.361 -17.945 0.000) 20.721 23.746 ( -11.758 -20.366 0.000) 23.516 33.437 ( -14.694 -25.451 0.000) 29.389 33.495 ( -14.056 -24.346 0.000) 28.112 35.590 ( -7.124 -12.339 0.000) 14.248 36.629 ( -14.992 -25.967 0.000) 29.984======================= Grid point 68 (31/192) =======================q-point: ( 0.19 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.049 ( 35.295 43.454 0.000) 55.982 8.972 ( 16.402 19.567 0.000) 25.532 9.908 ( 14.201 32.420 0.000) 35.394 10.628 ( 7.126 15.827 0.000) 17.357 11.674 ( -4.028 -1.691 0.000) 4.368 11.731 ( -11.740 -17.292 0.000) 20.901 12.243 ( 23.266 27.256 0.000) 35.836 12.471 ( 14.357 12.801 0.000) 19.235 14.473 ( 27.304 80.268 0.000) 84.785 14.596 ( 35.765 71.077 0.000) 79.568 20.049 ( 75.082 86.222 0.000) 114.331 20.322 ( 70.816 78.840 0.000) 105.975 22.966 ( -16.361 -23.512 0.000) 28.644 23.268 ( -17.024 -24.853 0.000) 30.124 32.886 ( -18.926 -25.495 0.000) 31.752 32.981 ( -18.155 -21.698 0.000) 28.292 35.241 ( -13.003 -23.034 0.000) 26.451 36.017 ( -21.231 -33.541 0.000) 39.696======================= Grid point 69 (32/192) =======================q-point: ( 0.24 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.120 ( 41.670 35.965 0.000) 55.045 9.548 ( 24.822 22.589 0.000) 33.562 10.393 ( 8.199 26.759 0.000) 27.987 10.873 ( 4.327 12.132 0.000) 12.881 11.361 ( -11.689 -13.954 0.000) 18.203 11.638 ( -2.517 6.944 0.000) 7.386 12.802 ( 13.844 3.656 0.000) 14.318 12.815 ( 18.893 14.874 0.000) 24.045 15.748 ( 20.066 88.478 0.000) 90.725 15.888 ( 22.726 82.276 0.000) 85.357 22.216 ( 84.927 66.985 0.000) 108.164 22.354 ( 82.230 60.169 0.000) 101.892 22.369 ( -22.513 -27.774 0.000) 35.752 22.667 ( -21.160 -27.857 0.000) 34.982 32.282 ( -21.451 -24.046 0.000) 32.223 32.441 ( -20.888 -17.604 0.000) 27.317 34.669 ( -20.040 -34.016 0.000) 39.480 35.214 ( -27.758 -41.646 0.000) 50.050======================= Grid point 70 (33/192) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.201 ( 45.767 26.633 0.000) 52.952 10.233 ( 26.188 19.963 0.000) 32.929 10.741 ( 3.348 22.029 0.000) 22.282 11.037 ( 6.473 6.020 0.000) 8.839 11.068 ( -9.405 -6.359 0.000) 11.353 11.732 ( -1.104 17.126 0.000) 17.161 13.014 ( 10.896 -4.649 0.000) 11.846 13.217 ( 15.373 6.488 0.000) 16.686 16.894 ( 7.076 91.083 0.000) 91.358 17.002 ( 7.489 86.337 0.000) 86.661 21.645 ( -27.126 -29.141 0.000) 39.812 22.000 ( -22.297 -28.081 0.000) 35.857 24.314 ( 89.026 48.263 0.000) 101.267 24.379 ( 89.866 45.215 0.000) 100.599 31.680 ( -21.183 -20.909 0.000) 29.764 31.918 ( -21.347 -12.454 0.000) 24.715 33.858 ( -28.064 -44.404 0.000) 52.529 34.218 ( -34.020 -49.473 0.000) 60.041======================= Grid point 71 (34/192) =======================q-point: ( 0.33 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.213 ( 44.677 16.302 0.000) 47.559 10.673 ( 6.154 7.244 0.000) 9.506 10.820 ( -5.903 -1.202 0.000) 6.024 11.042 ( -2.249 20.425 0.000) 20.548 11.368 ( 24.684 6.925 0.000) 25.637 11.919 ( 0.943 20.178 0.000) 20.200 13.082 ( 5.234 -9.714 0.000) 11.034 13.487 ( 12.111 0.120 0.000) 12.111 17.792 ( -8.591 89.194 0.000) 89.607 17.859 ( -8.402 85.146 0.000) 85.559 20.885 ( -26.936 -25.778 0.000) 37.284 21.368 ( -18.756 -24.573 0.000) 30.913 26.276 ( 89.982 33.139 0.000) 95.891 26.356 ( 90.996 33.214 0.000) 96.869 31.153 ( -17.243 -16.135 0.000) 23.615 31.467 ( -18.728 -7.305 0.000) 20.102 32.800 ( -37.139 -53.562 0.000) 65.178 33.053 ( -38.849 -55.277 0.000) 67.563======================= Grid point 72 (35/192) =======================q-point: ( 0.38 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.025 ( 34.164 5.692 0.000) 34.635 10.717 ( -3.299 1.576 0.000) 3.656 10.721 ( -4.495 0.948 0.000) 4.594 11.185 ( -5.945 20.490 0.000) 21.335 11.789 ( 18.010 -6.204 0.000) 19.049 12.197 ( 8.508 17.811 0.000) 19.738 13.018 ( -0.752 -8.899 0.000) 8.931 13.644 ( 8.646 -4.702 0.000) 9.842 18.365 ( -25.592 83.523 0.000) 87.356 18.402 ( -24.878 79.800 0.000) 83.588 20.264 ( -17.713 -16.410 0.000) 24.146 20.902 ( -9.373 -17.385 0.000) 19.750 28.094 ( 85.069 23.341 0.000) 88.213 28.169 ( 84.803 21.132 0.000) 87.396 30.779 ( -9.903 -11.444 0.000) 15.133 31.112 ( -14.523 -10.975 0.000) 18.204 31.509 ( -44.192 -59.310 0.000) 73.964 31.817 ( -38.300 -48.917 0.000) 62.127======================= Grid point 73 (36/192) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.411 ( 7.828 -13.559 0.000) 15.656 10.649 ( -3.580 6.201 0.000) 7.160 10.686 ( -1.926 3.336 0.000) 3.853 11.237 ( -10.528 18.235 0.000) 21.056 11.898 ( 11.235 -19.459 0.000) 22.469 12.402 ( -5.213 9.029 0.000) 10.426 12.946 ( 2.435 -4.217 0.000) 4.869 13.695 ( 4.620 -8.002 0.000) 9.240 18.564 ( -43.254 74.917 0.000) 86.507 18.586 ( -41.216 71.388 0.000) 82.432 20.016 ( 1.799 -3.117 0.000) 3.599 20.728 ( 4.834 -8.373 0.000) 9.669 29.279 ( 9.907 -17.159 0.000) 19.813 29.490 ( 11.061 -19.157 0.000) 22.121 30.258 ( 17.991 -31.161 0.000) 35.981 30.576 ( 14.395 -24.934 0.000) 28.791 30.750 ( 6.081 -10.532 0.000) 12.162 31.238 ( -4.033 6.986 0.000) 8.067======================= Grid point 90 (37/192) =======================q-point: ( 0.19 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.933 ( 25.657 44.439 0.000) 51.314 9.444 ( 15.731 27.246 0.000) 31.462 10.462 ( 13.628 23.604 0.000) 27.255 10.896 ( 5.589 9.680 0.000) 11.177 11.393 ( -8.885 -15.389 0.000) 17.769 11.707 ( 3.412 5.910 0.000) 6.825 12.688 ( 4.931 8.541 0.000) 9.862 12.719 ( 11.736 20.328 0.000) 23.473 16.059 ( 44.289 76.711 0.000) 88.579 16.124 ( 45.028 77.990 0.000) 90.055 21.785 ( 49.955 86.524 0.000) 99.909 21.910 ( 45.883 79.471 0.000) 91.766 22.425 ( -17.457 -30.237 0.000) 34.915 22.711 ( -17.517 -30.341 0.000) 35.035 32.350 ( -15.974 -27.668 0.000) 31.948 32.538 ( -12.817 -22.200 0.000) 25.635 34.668 ( -19.708 -34.135 0.000) 39.415 35.244 ( -25.097 -43.470 0.000) 50.195======================= Grid point 91 (38/192) =======================q-point: ( 0.24 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.825 ( 31.280 34.273 0.000) 46.401 10.044 ( 21.223 26.493 0.000) 33.946 10.862 ( 6.639 18.173 0.000) 19.347 11.008 ( 1.827 1.967 0.000) 2.685 11.145 ( -5.614 -5.225 0.000) 7.670 11.907 ( 3.816 18.681 0.000) 19.067 12.812 ( 6.169 -2.597 0.000) 6.693 13.066 ( 10.714 10.094 0.000) 14.720 17.532 ( 28.578 88.041 0.000) 92.563 17.604 ( 28.553 86.473 0.000) 91.065 21.766 ( -21.942 -31.826 0.000) 38.657 22.070 ( -19.963 -31.143 0.000) 36.992 23.508 ( 61.178 60.072 0.000) 85.741 23.528 ( 62.897 59.056 0.000) 86.277 31.792 ( -17.554 -24.499 0.000) 30.139 32.099 ( -15.190 -16.362 0.000) 22.326 33.870 ( -26.095 -45.509 0.000) 52.460 34.274 ( -31.338 -51.927 0.000) 60.651======================= Grid point 92 (39/192) =======================q-point: ( 0.29 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.697 ( 35.385 23.085 0.000) 42.249 10.623 ( 14.094 18.154 0.000) 22.983 10.895 ( -4.743 -2.733 0.000) 5.474 11.090 ( 10.592 0.715 0.000) 10.616 11.261 ( 2.334 21.481 0.000) 21.607 12.144 ( -1.254 21.554 0.000) 21.591 12.867 ( 7.644 -9.262 0.000) 12.009 13.301 ( 9.614 1.813 0.000) 9.783 18.771 ( 7.283 94.670 0.000) 94.949 18.811 ( 6.351 92.239 0.000) 92.458 21.053 ( -23.777 -29.125 0.000) 37.598 21.425 ( -18.594 -28.687 0.000) 34.186 25.157 ( 74.333 36.812 0.000) 82.949 25.240 ( 75.024 40.056 0.000) 85.047 31.269 ( -16.391 -19.790 0.000) 25.696 31.690 ( -16.293 -10.713 0.000) 19.500 32.851 ( -32.642 -55.674 0.000) 64.537 33.126 ( -36.007 -58.741 0.000) 68.898======================= Grid point 93 (40/192) =======================q-point: ( 0.33 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.491 ( 34.613 11.927 0.000) 36.611 10.802 ( -2.012 5.852 0.000) 6.188 10.804 ( -3.986 0.358 0.000) 4.002 11.404 ( 18.555 -4.236 0.000) 19.032 11.485 ( -2.751 22.629 0.000) 22.796 12.306 ( 0.160 16.896 0.000) 16.897 12.903 ( 5.055 -6.339 0.000) 8.108 13.442 ( 8.484 -4.653 0.000) 9.676 19.648 ( -16.335 93.602 0.000) 95.017 19.661 ( -15.891 94.093 0.000) 95.426 20.407 ( -19.786 -21.150 0.000) 28.962 20.888 ( -12.237 -22.837 0.000) 25.909 26.827 ( 83.253 22.168 0.000) 86.154 26.921 ( 81.248 23.012 0.000) 84.444 30.842 ( -12.532 -15.458 0.000) 19.899 31.267 ( -20.773 -20.341 0.000) 29.073 31.624 ( -39.554 -62.473 0.000) 73.942 31.935 ( -31.477 -48.049 0.000) 57.441======================= Grid point 94 (41/192) =======================q-point: ( 0.38 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.063 ( 21.329 -1.391 0.000) 21.375 10.762 ( -2.796 2.888 0.000) 4.020 10.790 ( -4.677 5.458 0.000) 7.188 11.497 ( 9.947 -20.484 0.000) 22.772 11.608 ( -8.696 21.326 0.000) 23.031 12.531 ( 3.959 14.604 0.000) 15.132 12.885 ( -0.605 -4.851 0.000) 4.889 13.507 ( 6.917 -8.844 0.000) 11.228 20.006 ( -7.221 -9.181 0.000) 11.680 20.083 ( -37.487 86.668 0.000) 94.428 20.118 ( -38.237 89.377 0.000) 97.213 20.579 ( -0.884 -14.698 0.000) 14.724 28.458 ( 76.652 12.553 0.000) 77.673 28.471 ( 77.905 8.969 0.000) 78.420 30.119 ( -40.677 -64.950 0.000) 76.636 30.272 ( -30.924 -61.980 0.000) 69.266 30.701 ( -6.278 -11.037 0.000) 12.697 31.404 ( -9.309 -0.345 0.000) 9.316======================= Grid point 112 (42/192) =======================q-point: ( 0.24 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.498 ( 18.946 32.815 0.000) 37.891 10.582 ( 14.832 25.690 0.000) 29.664 10.923 ( -2.454 -4.251 0.000) 4.909 11.007 ( -0.395 -0.684 0.000) 0.790 11.355 ( 10.466 18.128 0.000) 20.932 12.304 ( 10.801 18.708 0.000) 21.602 12.713 ( -3.544 -6.139 0.000) 7.089 13.220 ( 3.131 5.422 0.000) 6.261 19.226 ( 45.684 79.128 0.000) 91.369 19.268 ( 44.647 77.331 0.000) 89.294 21.116 ( -18.640 -32.285 0.000) 37.279 21.442 ( -17.720 -30.692 0.000) 35.441 24.648 ( 32.872 56.937 0.000) 65.745 24.747 ( 34.959 60.551 0.000) 69.919 31.314 ( -13.123 -22.729 0.000) 26.245 31.784 ( -8.846 -15.321 0.000) 17.691 32.849 ( -32.290 -55.927 0.000) 64.579 33.142 ( -34.754 -60.196 0.000) 69.508======================= Grid point 113 (43/192) =======================q-point: ( 0.29 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.141 ( 23.380 21.505 0.000) 31.766 10.856 ( -2.097 -0.832 0.000) 2.256 10.912 ( -2.410 9.302 0.000) 9.609 11.096 ( 13.823 -0.246 0.000) 13.825 11.694 ( 5.193 20.967 0.000) 21.600 12.500 ( -6.175 9.952 0.000) 11.712 12.725 ( 11.206 -0.179 0.000) 11.208 13.289 ( 3.582 -2.847 0.000) 4.575 20.506 ( -17.447 -24.546 0.000) 30.115 20.633 ( 15.448 87.534 0.000) 88.887 20.637 ( 17.232 89.361 0.000) 91.007 20.872 ( -14.206 -25.854 0.000) 29.500 25.841 ( 53.791 32.354 0.000) 62.771 25.978 ( 52.880 34.083 0.000) 62.912 30.891 ( -12.194 -18.357 0.000) 22.038 31.397 ( -21.044 -28.108 0.000) 35.113 31.646 ( -36.263 -63.160 0.000) 72.830 31.966 ( -27.436 -46.719 0.000) 54.179======================= Grid point 114 (44/192) =======================q-point: ( 0.33 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.715 ( 22.200 11.047 0.000) 24.797 10.829 ( -1.839 1.822 0.000) 2.589 10.909 ( -3.363 4.285 0.000) 5.447 11.181 ( 4.301 -16.877 0.000) 17.416 11.936 ( -2.735 22.123 0.000) 22.291 12.575 ( 4.782 10.265 0.000) 11.324 12.863 ( 1.418 1.530 0.000) 2.086 13.300 ( 5.213 -9.437 0.000) 10.781 20.060 ( -11.069 -12.941 0.000) 17.029 20.465 ( -5.726 -19.079 0.000) 19.920 21.507 ( -18.361 90.710 0.000) 92.550 21.565 ( -17.226 93.165 0.000) 94.744 27.179 ( 73.311 13.169 0.000) 74.484 27.283 ( 69.489 13.295 0.000) 70.749 30.169 ( -38.819 -63.730 0.000) 74.622 30.257 ( -40.066 -67.961 0.000) 78.892 30.705 ( -9.234 -15.428 0.000) 17.981 31.528 ( -7.168 -3.913 0.000) 8.166======================= Grid point 115 (45/192) =======================q-point: ( 0.38 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.007 ( 1.816 -3.146 0.000) 3.633 10.823 ( -1.631 2.826 0.000) 3.263 10.899 ( -1.682 2.913 0.000) 3.364 11.076 ( 10.088 -17.473 0.000) 20.176 12.026 ( -11.474 19.874 0.000) 22.949 12.766 ( -4.202 7.278 0.000) 8.404 12.807 ( 0.977 -1.693 0.000) 1.955 13.296 ( 6.857 -11.876 0.000) 13.713 19.894 ( 1.236 -2.140 0.000) 2.471 20.316 ( 6.581 -11.399 0.000) 13.162 21.804 ( -47.473 82.226 0.000) 94.946 21.885 ( -48.544 84.080 0.000) 97.087 28.350 ( 19.132 -33.138 0.000) 38.264 28.467 ( 19.613 -33.971 0.000) 39.226 28.920 ( 15.941 -27.611 0.000) 31.882 29.143 ( 19.694 -34.110 0.000) 39.387 30.573 ( 2.250 -3.897 0.000) 4.500 31.453 ( -1.884 3.262 0.000) 3.767======================= Grid point 135 (46/192) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.569 ( 12.264 21.242 0.000) 24.528 10.855 ( 0.259 0.449 0.000) 0.518 11.006 ( 0.626 1.084 0.000) 1.252 11.010 ( -5.511 -9.545 0.000) 11.022 12.086 ( 10.154 17.588 0.000) 20.309 12.583 ( 3.117 5.399 0.000) 6.234 12.859 ( 3.758 6.509 0.000) 7.516 13.194 ( -3.666 -6.350 0.000) 7.333 20.099 ( -8.915 -15.441 0.000) 17.830 20.413 ( -11.065 -19.165 0.000) 22.130 22.216 ( 38.767 67.146 0.000) 77.534 22.270 ( 40.415 70.000 0.000) 80.829 26.514 ( 21.174 36.674 0.000) 42.348 26.656 ( 20.354 35.254 0.000) 40.708 30.187 ( -36.839 -63.807 0.000) 73.678 30.267 ( -40.294 -69.791 0.000) 80.588 30.708 ( -9.702 -16.805 0.000) 19.405 31.571 ( -3.580 -6.200 0.000) 7.159======================= Grid point 136 (47/192) =======================q-point: ( 0.33 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 884Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.963 ( 9.474 14.283 0.000) 17.140 10.731 ( -2.923 -21.762 0.000) 21.957 10.865 ( -0.467 1.479 0.000) 1.551 11.024 ( -1.034 2.437 0.000) 2.647 12.365 ( -1.752 20.422 0.000) 20.497 12.746 ( 5.859 7.158 0.000) 9.251 12.896 ( -3.278 0.421 0.000) 3.305 13.066 ( 2.359 -13.858 0.000) 14.057 19.899 ( -3.587 -3.063 0.000) 4.717 20.134 ( -1.055 -13.574 0.000) 13.615 23.181 ( -11.376 71.268 0.000) 72.170 23.289 ( -10.747 73.958 0.000) 74.735 27.364 ( 49.304 5.406 0.000) 49.600 27.454 ( 47.529 3.314 0.000) 47.645 28.861 ( -36.354 -58.548 0.000) 68.916 28.914 ( -32.090 -60.097 0.000) 68.128 30.524 ( -1.733 -5.354 0.000) 5.628 31.503 ( -1.632 -0.017 0.000) 1.632======================= Grid point 157 (48/192) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.303 ( -9.790 -16.956 0.000) 19.579 10.303 ( 9.790 16.956 0.000) 19.579 10.880 ( -0.000 -0.000 0.000) 0.000 11.054 ( -0.000 -0.000 0.000) 0.000 12.749 ( -8.787 -15.220 0.000) 17.575 12.749 ( 8.787 15.220 0.000) 17.575 12.860 ( -1.991 -3.448 0.000) 3.981 12.860 ( 1.991 3.448 0.000) 3.981 19.933 ( -3.085 -5.343 0.000) 6.170 19.933 ( 3.085 5.343 0.000) 6.170 24.010 ( -0.000 -0.000 0.000) 0.000 24.158 ( -0.000 -0.000 0.000) 0.000 27.421 ( -1.456 -2.522 0.000) 2.912 27.421 ( 1.456 2.522 0.000) 2.912 28.203 ( -0.739 -1.279 0.000) 1.477 28.203 ( 0.739 1.279 0.000) 1.477 30.471 ( -0.000 -0.000 0.000) 0.000 31.505 ( -0.000 -0.000 0.000) 0.000======================= Grid point 463 (49/192) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( 0.000 0.000 51.009) 51.009 1.057 ( 0.000 -0.000 51.009) 51.009 1.881 ( 0.000 0.000 90.500) 90.500 5.238 ( 0.000 0.000 -18.222) 18.222 5.238 ( 0.000 0.000 -18.222) 18.222 8.813 ( 0.000 -0.000 -24.958) 24.958 9.490 ( -0.000 0.000 9.754) 9.754 9.490 ( -0.000 -0.000 9.754) 9.754 10.803 ( 0.000 0.000 -5.417) 5.417 10.803 ( -0.000 0.000 -5.417) 5.417 15.278 ( 0.000 -0.000 3.540) 3.540 15.727 ( 0.000 0.000 -1.326) 1.326 24.555 ( 0.000 -0.000 0.006) 0.006 24.614 ( 0.000 -0.000 -0.493) 0.493 35.140 ( 0.000 -0.000 5.359) 5.359 35.140 ( -0.000 -0.000 5.359) 5.359 35.323 ( 0.000 0.000 3.414) 3.414 35.323 ( 0.000 0.000 3.414) 3.414======================= Grid point 464 (50/192) =======================q-point: ( 0.05 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( 15.898 9.179 76.826) 78.989 2.285 ( 76.474 44.152 23.595) 91.403 3.523 ( 131.894 76.149 19.658) 153.562 5.655 ( 34.401 19.861 -17.668) 43.474 6.264 ( 79.850 46.101 -18.907) 94.121 8.698 ( -6.690 -3.863 -18.133) 19.710 9.532 ( 3.612 2.085 10.268) 11.083 9.725 ( 17.882 10.324 6.169) 21.550 10.867 ( 5.593 3.229 -5.384) 8.408 11.205 ( 28.320 16.351 -15.811) 36.323 14.024 ( -59.886 -34.575 64.968) 94.882 15.595 ( -10.956 -6.326 -2.026) 12.813 24.219 ( -11.897 -6.869 13.685) 19.391 24.596 ( -1.586 -0.915 -0.731) 1.972 35.074 ( -5.681 -3.280 5.154) 8.342 35.244 ( -6.784 -3.917 3.349) 8.519 35.395 ( 5.929 3.423 3.968) 7.913 36.510 ( 55.685 32.149 -60.481) 88.274======================= Grid point 465 (51/192) =======================q-point: ( 0.10 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.466 ( 26.297 15.183 61.307) 68.415 4.109 ( 78.225 45.163 13.143) 91.277 6.558 ( 125.366 72.380 8.154) 144.990 6.719 ( 54.731 31.599 -17.377) 65.543 8.111 ( 33.782 19.504 -32.352) 50.678 8.952 ( 66.007 38.109 -2.201) 76.250 9.658 ( 7.345 4.240 12.116) 14.789 10.259 ( 28.845 16.654 8.728) 34.432 11.065 ( 11.560 6.674 -5.288) 14.358 11.990 ( 40.152 23.182 -11.383) 47.740 13.073 ( -26.191 -15.121 45.815) 54.896 15.261 ( -16.299 -9.410 -3.887) 19.218 24.064 ( -3.945 -2.278 7.220) 8.537 24.535 ( -3.812 -2.201 -1.228) 4.570 34.876 ( -11.367 -6.563 4.585) 13.903 35.010 ( -13.301 -7.679 3.163) 15.681 35.572 ( 8.688 5.016 5.103) 11.255 37.215 ( 12.542 7.241 -36.037) 38.838======================= Grid point 466 (52/192) =======================q-point: ( 0.14 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.188 ( 35.821 20.681 45.068) 61.171 5.844 ( 70.536 40.724 9.282) 81.976 8.078 ( 60.126 34.714 -20.020) 72.257 8.211 ( -1.637 -0.945 -20.840) 20.925 9.141 ( 93.408 53.929 1.978) 107.877 9.884 ( 12.846 7.417 16.708) 22.342 10.633 ( 40.606 23.444 -13.348) 48.751 11.410 ( 18.440 10.646 -5.106) 21.896 11.491 ( 83.346 48.120 14.899) 97.386 12.519 ( -12.671 -7.315 30.750) 34.054 13.319 ( 66.825 38.581 -8.089) 77.586 15.002 ( 1.833 1.058 -6.602) 6.933 23.970 ( -4.944 -2.854 3.873) 6.899 24.409 ( -7.326 -4.230 -1.613) 8.612 34.548 ( -16.950 -9.786 3.778) 19.934 34.632 ( -19.238 -11.107 2.888) 22.401 35.762 ( 6.947 4.011 5.864) 9.936 37.302 ( -2.962 -1.710 -18.497) 18.811======================= Grid point 467 (53/192) =======================q-point: ( 0.19 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.116 ( 44.067 25.442 32.649) 60.458 7.340 ( 57.924 33.442 7.285) 67.280 8.242 ( 5.389 3.111 -16.334) 17.479 9.334 ( 42.300 24.422 -25.442) 55.073 10.360 ( 33.183 19.158 23.542) 44.971 10.819 ( 53.708 31.009 -2.134) 62.054 11.378 ( 28.422 16.409 -3.868) 33.046 11.930 ( 26.579 15.345 -4.712) 31.050 12.222 ( -10.400 -6.004 18.003) 21.641 12.702 ( 9.203 5.314 5.188) 11.826 15.342 ( 104.509 60.338 -1.655) 120.688 15.982 ( 86.153 49.740 -6.105) 99.668 23.806 ( -9.678 -5.588 2.396) 11.429 24.183 ( -12.448 -7.187 -1.731) 14.478 34.094 ( -22.138 -12.782 2.911) 25.729 34.126 ( -24.186 -13.964 2.567) 28.045 35.863 ( 1.149 0.664 5.781) 5.931 37.122 ( -12.152 -7.016 -10.141) 17.312======================= Grid point 468 (54/192) =======================q-point: ( 0.24 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.221 ( 51.006 29.448 23.862) 63.547 8.492 ( 16.580 9.573 -12.933) 23.104 8.509 ( 42.844 24.736 5.760) 49.807 9.955 ( 16.596 9.582 -13.093) 23.209 11.463 ( 56.013 32.339 12.094) 65.799 11.688 ( 11.968 6.910 -0.086) 13.820 11.922 ( 22.190 12.812 3.725) 25.892 12.201 ( 15.702 9.066 2.244) 18.270 12.460 ( -19.019 -10.981 1.768) 22.032 12.642 ( 34.601 19.977 -3.925) 40.146 17.966 ( 117.747 67.981 0.520) 135.963 18.389 ( 111.993 64.659 -3.556) 129.367 23.504 ( -16.670 -9.624 1.693) 19.323 23.822 ( -18.788 -10.847 -1.658) 21.758 33.519 ( -27.605 -15.938 2.276) 31.957 33.532 ( -26.432 -15.260 2.131) 30.595 35.793 ( -7.574 -4.373 4.987) 10.067 36.744 ( -20.518 -11.846 -5.864) 24.407======================= Grid point 469 (55/192) =======================q-point: ( 0.29 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.465 ( 55.917 32.284 17.752) 66.964 9.017 ( 28.527 16.470 -10.199) 34.483 9.339 ( 29.316 16.926 4.318) 34.126 10.265 ( 11.305 6.527 -5.999) 14.366 11.623 ( -6.547 -3.780 3.877) 8.496 11.887 ( -21.824 -12.600 1.347) 25.236 12.601 ( 25.193 14.545 -0.242) 29.091 12.706 ( 21.703 12.530 -0.940) 25.078 12.764 ( 54.512 31.473 5.487) 63.184 13.505 ( 38.978 22.504 -2.855) 45.098 20.684 ( 115.492 66.679 0.782) 133.361 20.986 ( 110.616 63.864 -2.300) 127.749 23.026 ( -24.670 -14.243 1.470) 28.524 23.313 ( -24.999 -14.433 -1.551) 28.909 32.854 ( -29.303 -16.918 2.010) 33.896 32.891 ( -28.671 -16.553 1.626) 33.146 35.497 ( -18.166 -10.488 3.857) 21.328 36.169 ( -29.194 -16.855 -3.455) 33.887======================= Grid point 470 (56/192) =======================q-point: ( 0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.785 ( 57.244 33.050 13.379) 67.440 9.787 ( 36.865 21.284 -8.572) 43.423 9.897 ( 19.473 11.243 3.097) 22.697 10.499 ( 8.947 5.166 -3.343) 10.859 11.408 ( -18.088 -10.443 2.810) 21.074 11.502 ( -3.307 -1.909 1.612) 4.145 13.131 ( 19.999 11.547 -0.618) 23.101 13.144 ( 15.676 9.051 -0.385) 18.106 13.946 ( 46.821 27.032 3.019) 54.148 14.404 ( 37.686 21.758 -1.901) 43.557 22.356 ( -31.648 -18.272 1.023) 36.558 22.670 ( -28.335 -16.359 -2.384) 32.805 23.289 ( 107.113 61.842 1.356) 123.691 23.487 ( 103.632 59.832 -0.837) 119.666 32.181 ( -28.361 -16.374 1.859) 32.801 32.225 ( -28.246 -16.308 1.395) 32.645 34.942 ( -29.866 -17.243 2.742) 34.595 35.389 ( -38.123 -22.010 -2.010) 44.066======================= Grid point 471 (57/192) =======================q-point: ( 0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.063 ( 51.315 29.627 9.718) 60.045 10.263 ( 12.505 7.220 2.208) 14.608 10.604 ( 26.604 15.360 -10.245) 32.383 10.680 ( 6.673 3.853 -2.205) 8.015 11.099 ( -4.166 -2.405 7.965) 9.305 11.537 ( 8.745 5.049 -0.280) 10.101 13.398 ( 6.032 3.482 0.634) 6.993 13.533 ( 14.398 8.312 -1.086) 16.660 14.911 ( 36.031 20.802 1.895) 41.648 15.212 ( 31.334 18.091 -1.297) 36.204 21.559 ( -35.758 -20.645 1.762) 41.327 21.984 ( -29.299 -16.916 -2.707) 33.940 25.673 ( 97.617 56.359 1.036) 112.723 25.808 ( 96.117 55.493 -0.408) 110.987 31.562 ( -24.494 -14.142 1.874) 28.346 31.611 ( -24.052 -13.886 1.356) 27.806 34.109 ( -42.103 -24.308 1.888) 48.654 34.404 ( -46.730 -26.979 -1.210) 53.972======================= Grid point 472 (58/192) =======================q-point: ( 0.43 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.038 ( 29.658 17.123 5.179) 34.636 10.488 ( 7.066 4.080 1.640) 8.322 10.697 ( -5.764 -3.328 -2.912) 7.265 10.806 ( 4.144 2.393 -1.709) 5.082 11.435 ( 23.603 13.627 5.241) 27.754 12.007 ( 27.933 16.127 -1.340) 32.282 13.407 ( -5.323 -3.073 2.175) 6.520 13.796 ( 8.270 4.774 -2.233) 9.806 15.596 ( 22.765 13.143 1.360) 26.321 15.825 ( 20.929 12.083 -1.044) 24.189 20.766 ( -30.857 -17.815 2.590) 35.724 21.366 ( -22.746 -13.133 -3.679) 26.522 27.796 ( 85.274 49.233 1.307) 98.475 27.922 ( 85.614 49.429 -0.030) 98.859 31.073 ( -17.028 -9.831 2.054) 19.770 31.138 ( -16.191 -9.348 1.362) 18.745 32.997 ( -53.445 -30.856 1.427) 61.729 33.233 ( -53.910 -31.125 -1.049) 62.258======================= Grid point 473 (59/192) =======================q-point: ( 0.48 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.423 ( 6.389 3.689 1.689) 7.568 10.595 ( -2.425 -1.400 -0.660) 2.877 10.596 ( 2.294 1.325 1.363) 2.979 10.871 ( 1.407 0.812 -1.525) 2.228 12.033 ( 22.417 12.942 5.247) 26.411 12.511 ( 10.349 5.975 0.016) 11.950 13.203 ( -8.825 -5.095 3.456) 10.760 13.918 ( 2.423 1.399 -3.881) 4.785 15.953 ( 7.792 4.499 1.153) 9.071 16.158 ( 7.399 4.272 -0.995) 8.601 20.232 ( -12.945 -7.474 3.359) 15.320 20.989 ( -8.749 -5.051 -4.499) 11.059 29.550 ( 59.559 34.387 2.012) 68.803 29.692 ( 61.700 35.622 0.430) 71.246 30.800 ( -6.141 -3.545 2.227) 7.432 30.881 ( -5.733 -3.310 1.367) 6.759 31.704 ( -52.758 -30.460 1.201) 60.932 31.987 ( -47.243 -27.276 -1.793) 54.581======================= Grid point 485 (60/192) =======================q-point: ( 0.05 0.05 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.309 ( 13.490 23.365 65.910) 71.218 3.685 ( 48.077 83.272 14.606) 97.258 5.631 ( 65.134 112.815 7.689) 130.494 6.568 ( 40.782 70.636 -16.016) 83.121 7.680 ( 44.755 77.518 -26.480) 93.345 8.676 ( 7.771 13.460 -6.210) 16.738 9.622 ( 4.062 7.036 11.762) 14.295 10.085 ( 14.119 24.455 6.375) 28.949 11.025 ( 7.504 12.997 -5.235) 15.894 11.738 ( 20.242 35.061 -14.403) 42.970 13.255 ( -19.007 -32.921 53.500) 65.630 15.361 ( -9.211 -15.953 -3.295) 18.714 24.090 ( -2.752 -4.766 8.715) 10.308 24.557 ( -1.799 -3.116 -1.093) 3.760 34.943 ( -5.618 -9.731 4.774) 12.209 35.089 ( -6.602 -11.434 3.227) 13.592 35.518 ( 4.737 8.204 4.798) 10.619 37.114 ( 11.448 19.829 -43.132) 48.833======================= Grid point 486 (61/192) =======================q-point: ( 0.10 0.05 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.902 ( 24.663 27.890 50.392) 62.654 5.378 ( 52.237 74.864 9.928) 91.825 7.493 ( 57.172 55.717 -12.074) 80.740 8.216 ( 0.144 -0.899 -23.567) 23.584 8.483 ( 64.966 94.992 -4.915) 115.188 9.823 ( 9.616 16.240 15.170) 24.215 10.039 ( 63.043 51.732 -12.139) 82.450 10.729 ( 33.619 28.499 13.939) 46.225 11.459 ( 18.832 38.863 -2.763) 43.273 12.537 ( 14.963 14.219 19.053) 28.091 12.865 ( 15.249 14.362 6.373) 21.895 15.040 ( -8.066 -9.850 -5.570) 13.896 24.007 ( -3.058 -3.546 4.748) 6.669 24.463 ( -4.463 -5.166 -1.506) 6.991 34.683 ( -11.385 -12.687 4.111) 17.535 34.788 ( -13.042 -14.356 2.997) 19.626 35.694 ( 6.145 6.390 5.680) 10.529 37.305 ( 0.948 0.669 -23.310) 23.339======================= Grid point 487 (62/192) =======================q-point: ( 0.14 0.05 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.714 ( 34.314 31.249 37.103) 59.419 6.935 ( 45.552 63.541 7.473) 78.539 8.201 ( 1.920 0.985 -17.815) 17.945 8.944 ( 45.685 49.466 -21.027) 70.541 9.953 ( 31.855 18.352 7.465) 37.513 10.521 ( 33.527 60.002 9.679) 69.412 11.071 ( 28.636 22.248 -8.115) 37.160 11.604 ( 33.010 16.599 0.696) 36.955 12.324 ( -10.052 -9.713 22.444) 26.441 12.543 ( 28.114 37.118 5.616) 46.901 14.359 ( 79.729 65.468 -3.920) 103.238 15.296 ( 42.606 35.361 -7.302) 55.848 23.884 ( -6.214 -6.031 2.850) 9.116 24.286 ( -8.516 -8.242 -1.715) 11.975 34.295 ( -17.008 -15.376 3.316) 23.167 34.353 ( -18.987 -16.481 2.697) 25.286 35.827 ( 3.566 1.736 5.916) 7.122 37.210 ( -7.087 -7.877 -12.803) 16.619======================= Grid point 488 (63/192) =======================q-point: ( 0.19 0.05 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.712 ( 42.950 33.417 27.242) 60.857 8.186 ( 32.601 42.346 1.910) 53.476 8.359 ( 12.680 14.059 -10.039) 21.429 9.837 ( 15.836 22.888 -16.750) 32.484 10.875 ( 48.559 33.033 10.563) 59.672 11.570 ( 25.935 40.610 1.367) 48.205 11.705 ( 19.589 15.362 -0.718) 24.905 12.110 ( -1.252 -3.592 11.281) 11.905 12.340 ( 25.887 23.660 -1.519) 35.103 12.724 ( -11.130 3.691 0.913) 11.762 16.728 ( 105.388 76.294 -0.008) 130.106 17.217 ( 98.049 70.482 -4.392) 120.833 23.650 ( -11.797 -10.299 1.921) 15.777 23.990 ( -13.994 -12.224 -1.700) 18.659 33.787 ( -22.188 -17.630 2.575) 28.456 33.807 ( -23.780 -17.619 2.367) 29.691 35.826 ( -2.405 -4.874 5.383) 7.650 36.912 ( -14.370 -14.309 -7.409) 21.590======================= Grid point 489 (64/192) =======================q-point: ( 0.24 0.05 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.865 ( 50.314 34.132 20.250) 64.083 8.715 ( 22.572 13.256 -11.786) 28.707 9.145 ( 23.377 35.708 5.281) 43.005 10.206 ( 8.411 14.946 -7.107) 18.565 11.675 ( -1.235 -2.419 2.718) 3.842 12.012 ( -2.202 -8.171 3.641) 9.212 12.109 ( 30.131 16.646 3.421) 34.593 12.425 ( 23.281 12.911 -1.841) 26.685 12.707 ( 17.046 50.833 3.003) 53.699 13.276 ( 27.007 42.971 -2.672) 50.824 19.388 ( 111.909 72.473 0.790) 133.329 19.735 ( 107.406 68.062 -2.690) 127.184 23.255 ( -18.983 -15.375 1.490) 24.474 23.549 ( -20.134 -16.480 -1.590) 26.067 33.173 ( -26.989 -18.403 2.154) 32.737 33.193 ( -26.085 -18.270 1.943) 31.906 35.627 ( -10.804 -12.589 4.362) 17.153 36.422 ( -21.978 -20.574 -4.425) 30.428======================= Grid point 490 (65/192) =======================q-point: ( 0.29 0.05 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.126 ( 55.345 32.895 15.275) 66.170 9.359 ( 32.861 17.583 -9.755) 38.525 9.784 ( 15.567 25.850 4.275) 30.477 10.472 ( 5.995 13.907 -3.705) 15.591 11.547 ( -5.952 -4.107 1.934) 7.485 11.593 ( -16.210 -14.385 2.248) 21.789 12.823 ( 27.066 11.268 0.063) 29.318 12.920 ( 19.831 8.599 -0.949) 21.636 13.751 ( 28.540 61.345 2.871) 67.720 14.207 ( 26.277 47.566 -1.952) 54.376 22.009 ( 108.901 64.097 0.456) 126.364 22.241 ( 104.949 59.810 -1.976) 120.811 22.683 ( -25.165 -19.424 1.816) 31.841 22.970 ( -24.649 -19.529 -1.353) 31.477 32.506 ( -28.206 -17.832 1.992) 33.429 32.541 ( -27.556 -17.625 1.622) 32.751 35.187 ( -20.814 -20.774 3.212) 29.582 35.732 ( -30.029 -26.956 -2.637) 40.439======================= Grid point 491 (66/192) =======================q-point: ( 0.33 0.05 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.413 ( 55.726 28.823 11.437) 63.773 10.105 ( 26.393 13.190 -6.964) 30.316 10.269 ( 18.162 21.077 1.712) 27.875 10.709 ( 5.338 15.890 -2.872) 17.007 11.195 ( -12.093 -9.780 4.427) 16.171 11.489 ( 0.563 1.014 0.260) 1.189 13.263 ( 12.629 2.720 0.051) 12.919 13.313 ( 19.252 7.237 -0.694) 20.579 14.795 ( 22.475 55.804 1.866) 60.189 15.098 ( 20.390 47.389 -1.323) 51.607 21.934 ( -32.473 -23.387 1.431) 40.043 22.289 ( -27.553 -21.158 -2.317) 34.817 24.478 ( 103.366 55.634 0.992) 117.391 24.625 ( 101.466 52.809 -0.579) 114.388 31.855 ( -26.323 -16.363 2.036) 31.061 31.907 ( -26.084 -14.552 1.478) 29.906 34.481 ( -31.871 -29.008 2.218) 43.153 34.837 ( -38.142 -33.199 -1.545) 50.590======================= Grid point 492 (67/192) =======================q-point: ( 0.38 0.05 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.567 ( 45.518 20.291 7.453) 50.390 10.459 ( 6.788 11.037 -0.382) 12.963 10.660 ( 6.440 1.999 -3.577) 7.633 10.847 ( -5.959 0.679 -0.173) 6.000 11.259 ( 17.080 19.033 4.169) 25.911 11.691 ( 20.604 9.825 -0.991) 22.848 13.393 ( 2.661 -4.053 1.396) 5.046 13.647 ( 13.119 3.255 -1.575) 13.609 15.619 ( 11.213 48.690 1.259) 49.980 15.833 ( 10.780 43.482 -0.977) 44.809 21.121 ( -32.705 -22.594 2.142) 39.808 21.620 ( -24.699 -19.032 -3.099) 31.334 26.710 ( 94.123 46.447 1.074) 104.965 26.826 ( 94.476 45.519 -0.160) 104.870 31.291 ( -20.824 -12.968 2.276) 24.637 31.370 ( -20.953 -9.592 1.420) 23.088 33.496 ( -43.297 -36.916 1.578) 56.920 33.746 ( -45.578 -38.711 -1.034) 59.808======================= Grid point 493 (68/192) =======================q-point: ( 0.43 0.05 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.285 ( 18.828 8.903 2.345) 20.958 10.604 ( 0.208 0.997 -2.121) 2.352 10.660 ( -2.943 6.685 1.114) 7.388 10.828 ( 2.322 -0.704 1.301) 2.753 11.780 ( 22.010 18.748 4.022) 29.191 12.265 ( 24.602 8.022 -0.721) 25.887 13.278 ( -6.958 -9.071 2.944) 11.805 13.836 ( 7.207 -0.653 -3.079) 7.864 16.143 ( -2.855 40.549 0.948) 40.660 16.319 ( -1.842 36.806 -0.871) 36.862 20.429 ( -22.172 -15.190 3.004) 27.043 21.106 ( -14.594 -12.486 -4.057) 19.630 28.663 ( 80.865 36.536 1.456) 88.748 28.785 ( 81.844 36.032 0.143) 89.424 30.901 ( -11.524 -7.273 2.573) 13.867 31.012 ( -12.209 -2.884 1.391) 12.622 32.256 ( -51.698 -42.837 1.324) 67.152 32.498 ( -49.812 -41.906 -1.202) 65.106======================= Grid point 494 (69/192) =======================q-point: ( 0.48 0.05 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.472 ( -0.932 1.614 0.315) 1.890 10.576 ( 0.332 -0.575 -1.669) 1.796 10.697 ( -4.759 8.243 1.783) 9.683 10.850 ( 1.673 -2.898 0.853) 3.454 12.198 ( -1.034 1.791 4.019) 4.520 12.487 ( 4.205 -7.284 1.251) 8.504 13.121 ( 1.397 -2.419 3.269) 4.300 13.892 ( 2.153 -3.729 -4.207) 6.020 16.323 ( -18.295 31.688 0.852) 36.600 16.490 ( -16.452 28.496 -0.864) 32.916 20.143 ( 0.726 -1.258 3.461) 3.754 20.910 ( 1.605 -2.780 -4.512) 5.537 29.854 ( 5.324 -9.221 2.359) 10.906 30.048 ( 4.618 -7.998 0.320) 9.241 30.772 ( -0.330 0.572 2.972) 3.044 30.905 ( -2.527 4.378 1.636) 5.313 31.207 ( 5.631 -9.753 1.007) 11.307 31.537 ( 6.929 -12.001 -2.394) 14.062======================= Grid point 508 (70/192) =======================q-point: ( 0.10 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.569 ( 22.105 38.288 38.864) 58.864 6.898 ( 42.040 72.816 7.133) 84.383 8.192 ( 0.352 0.609 -18.073) 18.087 8.760 ( 38.163 66.101 -15.151) 77.816 9.781 ( 16.800 29.098 -1.791) 33.647 10.657 ( 38.894 67.366 13.029) 78.871 10.854 ( 19.775 34.251 -13.041) 41.645 11.302 ( 17.205 29.800 8.750) 35.505 12.367 ( -7.816 -13.537 24.541) 29.097 12.511 ( 27.206 47.121 3.052) 54.497 13.970 ( 46.483 80.510 -5.196) 93.110 15.122 ( 17.248 29.875 -7.455) 35.293 23.907 ( -3.944 -6.831 3.047) 8.456 24.318 ( -5.513 -9.550 -1.701) 11.157 34.367 ( -10.840 -18.776 3.503) 21.962 34.438 ( -11.758 -20.365 2.743) 23.675 35.800 ( 2.012 3.484 5.934) 7.169 37.229 ( -4.781 -8.281 -13.980) 16.937======================= Grid point 509 (71/192) =======================q-point: ( 0.14 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.426 ( 31.327 39.411 29.387) 58.294 8.139 ( 21.151 36.251 -7.056) 42.560 8.345 ( 15.568 30.239 -1.795) 34.059 9.830 ( 17.746 31.463 -16.365) 39.657 10.474 ( 36.788 39.845 7.456) 54.741 11.493 ( 20.668 26.676 -8.315) 34.755 11.756 ( 12.020 47.942 6.260) 49.821 12.088 ( 34.950 30.749 3.608) 46.691 12.117 ( -3.770 -6.382 14.073) 15.905 12.912 ( -2.228 8.013 0.557) 8.336 15.945 ( 77.591 90.924 -0.583) 119.532 16.502 ( 68.373 80.021 -5.111) 105.377 23.715 ( -8.250 -11.182 2.077) 14.051 24.069 ( -10.094 -13.675 -1.717) 17.084 33.932 ( -16.299 -20.721 2.917) 26.524 33.976 ( -17.342 -20.931 2.440) 27.291 35.808 ( -1.412 -4.168 5.565) 7.095 36.974 ( -10.665 -15.816 -8.484) 20.877======================= Grid point 510 (72/192) =======================q-point: ( 0.19 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.438 ( 39.776 38.546 22.274) 59.700 8.515 ( 15.372 13.066 -13.271) 24.148 9.200 ( 19.020 44.578 6.102) 48.849 10.245 ( 7.697 18.835 -6.144) 21.255 11.519 ( 28.746 24.693 -2.719) 37.993 11.897 ( 3.448 5.986 10.081) 12.220 12.028 ( -0.208 -3.024 0.056) 3.032 12.185 ( 15.447 9.131 0.220) 17.946 13.003 ( 17.380 60.999 1.744) 63.450 13.336 ( 23.625 51.437 -1.469) 56.622 18.346 ( 94.541 83.809 0.736) 126.343 18.721 ( 89.833 77.857 -2.951) 118.914 23.382 ( -14.252 -16.533 1.553) 21.883 23.685 ( -15.673 -18.315 -1.612) 24.160 33.391 ( -21.171 -21.796 2.513) 30.489 33.426 ( -21.916 -20.207 2.131) 29.887 35.648 ( -7.336 -13.309 4.679) 15.901 36.538 ( -17.162 -23.138 -5.287) 29.290======================= Grid point 511 (73/192) =======================q-point: ( 0.24 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.568 ( 47.005 35.481 17.064) 61.315 9.027 ( 25.384 17.827 -11.022) 32.919 9.852 ( 12.082 33.276 5.187) 35.779 10.540 ( 5.401 17.774 -2.919) 18.805 11.610 ( -5.591 -3.162 1.309) 6.556 11.698 ( -13.873 -16.439 1.945) 21.599 12.484 ( 27.430 17.877 0.900) 32.754 12.655 ( 20.265 9.682 -1.479) 22.508 14.063 ( 20.179 78.574 1.821) 81.145 14.372 ( 23.253 65.993 -1.441) 69.985 20.836 ( 100.962 71.070 0.781) 123.471 21.080 ( 97.421 65.400 -1.734) 117.349 22.882 ( -21.120 -21.782 1.382) 30.372 23.159 ( -21.088 -22.453 -1.506) 30.840 32.772 ( -24.537 -21.538 2.407) 32.738 32.822 ( -24.831 -18.329 1.853) 30.919 35.273 ( -15.114 -23.010 3.566) 27.759 35.909 ( -24.213 -30.644 -3.320) 39.196======================= Grid point 512 (74/192) =======================q-point: ( 0.29 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.761 ( 51.621 30.002 13.103) 61.128 9.721 ( 31.465 18.416 -10.297) 37.885 10.321 ( 8.099 26.833 5.445) 28.552 10.792 ( 4.241 16.301 -1.689) 16.928 11.300 ( -12.708 -12.727 2.504) 18.159 11.529 ( -3.166 2.103 -0.089) 3.802 13.033 ( 17.418 4.514 -0.522) 18.001 13.044 ( 19.560 8.061 -0.271) 21.158 15.176 ( 14.740 79.621 1.288) 80.984 15.402 ( 15.142 70.775 -1.068) 72.385 22.211 ( -27.465 -25.432 1.134) 37.449 22.512 ( -24.271 -24.445 -2.088) 34.510 23.253 ( 100.851 57.579 1.030) 116.135 23.394 ( 99.025 52.986 -0.516) 112.311 32.126 ( -25.227 -19.851 2.603) 32.206 32.212 ( -25.493 -15.019 1.656) 29.634 34.653 ( -24.231 -32.592 2.505) 40.690 35.080 ( -31.524 -38.112 -2.033) 49.502======================= Grid point 513 (75/192) =======================q-point: ( 0.33 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.924 ( 50.621 21.967 9.554) 56.003 10.350 ( 19.075 11.145 -9.623) 24.097 10.677 ( 3.995 19.699 5.125) 20.743 10.959 ( -6.897 -1.581 -0.229) 7.079 11.152 ( 13.865 13.190 3.261) 19.412 11.581 ( 3.156 9.791 -1.058) 10.341 13.246 ( 8.832 -4.401 0.862) 9.905 13.427 ( 15.668 3.916 -1.278) 16.200 16.129 ( 4.159 75.861 0.860) 75.980 16.285 ( 4.371 69.898 -0.752) 70.038 21.432 ( -30.907 -26.179 1.738) 40.541 21.833 ( -24.346 -24.004 -2.479) 34.280 25.496 ( 97.044 45.309 0.839) 107.104 25.590 ( 97.484 43.179 -0.155) 106.619 31.523 ( -22.413 -16.450 3.019) 27.965 31.658 ( -23.026 -10.317 1.546) 25.279 33.773 ( -34.358 -41.612 1.720) 53.991 34.053 ( -38.483 -44.912 -1.226) 59.157======================= Grid point 514 (76/192) =======================q-point: ( 0.38 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.889 ( 38.104 12.242 5.111) 40.347 10.590 ( 2.744 2.327 -6.169) 7.142 10.812 ( -4.661 1.956 2.227) 5.524 10.842 ( -2.050 11.205 4.028) 12.082 11.673 ( 16.082 18.713 1.448) 24.716 11.900 ( 22.600 10.705 -0.628) 25.015 13.246 ( -0.323 -9.869 2.223) 10.122 13.669 ( 10.580 -1.005 -2.469) 10.911 16.818 ( -9.455 69.635 0.546) 70.277 16.931 ( -8.523 65.061 -0.598) 65.619 20.675 ( -26.537 -21.203 2.526) 34.061 21.234 ( -18.052 -19.076 -3.345) 26.476 27.525 ( 89.897 34.652 1.046) 96.350 27.622 ( 90.882 33.559 0.021) 96.880 31.046 ( -15.591 -11.252 3.492) 19.542 31.230 ( -16.785 -4.609 1.473) 17.468 32.627 ( -44.384 -49.534 1.389) 66.524 32.854 ( -44.124 -49.742 -0.935) 66.499======================= Grid point 515 (77/192) =======================q-point: ( 0.43 0.10 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.432 ( 14.175 5.444 -0.516) 15.193 10.579 ( -2.788 -0.892 -3.349) 4.448 10.779 ( 0.864 -2.547 5.193) 5.848 10.910 ( -6.000 14.196 1.416) 15.476 12.107 ( 16.925 10.597 2.564) 20.133 12.292 ( 9.711 -3.493 0.993) 10.368 13.093 ( -3.262 -8.036 2.998) 9.176 13.780 ( 5.688 -4.760 -3.939) 8.397 17.180 ( -24.967 61.614 0.353) 66.481 17.275 ( -23.123 57.558 -0.564) 62.031 20.177 ( -10.425 -9.586 3.257) 14.532 20.875 ( -5.029 -10.410 -4.061) 12.253 29.231 ( 65.766 18.628 1.466) 68.369 29.354 ( 72.108 20.432 0.173) 74.947 30.781 ( -4.609 -5.311 3.778) 7.983 31.008 ( -6.341 -1.180 1.329) 6.585 31.307 ( -41.684 -48.395 1.423) 63.888 31.590 ( -39.776 -45.555 -1.199) 60.489======================= Grid point 530 (78/192) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.282 ( 26.329 45.603 23.087) 57.496 8.447 ( 8.793 15.230 -13.798) 22.353 9.279 ( 24.156 41.840 6.405) 48.735 10.279 ( 10.340 17.909 -5.174) 21.317 11.369 ( 23.397 40.524 -2.990) 46.888 11.939 ( -2.445 -4.235 11.371) 12.378 11.966 ( 8.824 15.283 -5.383) 18.450 12.113 ( -0.367 -0.636 3.724) 3.795 13.192 ( 37.501 64.954 0.814) 75.007 13.397 ( 26.370 45.674 -0.368) 52.741 17.920 ( 59.998 103.920 0.703) 119.998 18.307 ( 55.794 96.639 -3.065) 111.631 23.423 ( -10.476 -18.146 1.583) 21.013 23.729 ( -11.721 -20.302 -1.620) 23.499 33.467 ( -14.713 -25.483 2.724) 29.552 33.519 ( -14.140 -24.490 2.163) 28.362 35.641 ( -7.409 -12.833 4.789) 15.573 36.569 ( -14.275 -24.726 -5.645) 29.103======================= Grid point 531 (79/192) =======================q-point: ( 0.19 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.245 ( 33.767 41.531 18.252) 56.553 8.847 ( 16.951 20.214 -11.666) 28.845 9.971 ( 14.069 32.397 5.578) 35.758 10.610 ( 7.519 17.286 -1.830) 18.939 11.669 ( -3.230 -1.459 -0.133) 3.547 11.748 ( -11.326 -17.460 1.430) 20.861 12.269 ( 20.765 24.442 2.141) 32.143 12.452 ( 14.917 13.518 -1.765) 20.209 14.479 ( 27.718 79.670 0.576) 84.356 14.589 ( 35.320 71.364 -0.589) 79.629 20.058 ( 75.039 86.196 0.857) 114.286 20.305 ( 71.162 79.492 -1.665) 106.705 22.980 ( -16.396 -23.596 1.323) 28.764 23.252 ( -16.997 -24.800 -1.501) 30.103 32.917 ( -18.920 -25.209 2.836) 31.647 33.002 ( -18.230 -21.791 1.920) 28.475 35.280 ( -13.359 -23.548 3.760) 27.333 35.977 ( -20.683 -32.879 -3.798) 39.028======================= Grid point 532 (80/192) =======================q-point: ( 0.24 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.276 ( 40.294 34.774 14.530) 55.173 9.431 ( 24.746 22.346 -10.763) 35.037 10.462 ( 8.655 27.681 5.900) 29.596 10.870 ( 4.221 13.176 -0.298) 13.839 11.376 ( -11.371 -14.146 1.486) 18.210 11.625 ( -2.670 5.452 -1.166) 6.181 12.795 ( 14.828 5.904 -0.576) 15.970 12.814 ( 17.867 12.721 -0.209) 21.934 15.754 ( 20.248 88.064 0.571) 90.364 15.880 ( 22.654 82.485 -0.739) 85.542 22.218 ( 81.700 64.518 0.218) 104.103 22.336 ( 64.781 46.593 -1.143) 79.805 22.396 ( -2.746 -12.002 1.940) 12.464 22.654 ( -20.153 -27.157 -1.250) 33.841 32.318 ( -21.442 -23.428 3.280) 31.928 32.461 ( -20.945 -17.627 1.747) 27.432 34.697 ( -20.382 -34.465 2.707) 40.132 35.188 ( -27.307 -41.291 -2.525) 49.568======================= Grid point 533 (81/192) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.322 ( 44.346 25.865 11.411) 52.591 10.098 ( 25.234 19.146 -11.212) 33.601 10.839 ( 3.993 23.464 7.159) 24.854 11.028 ( 2.502 5.323 -0.646) 5.918 11.097 ( -4.705 -5.861 2.858) 8.040 11.711 ( -0.776 16.714 -2.046) 16.857 13.022 ( 11.206 -4.066 0.693) 11.941 13.203 ( 15.132 5.959 -1.300) 16.315 16.899 ( 7.144 90.769 0.426) 91.051 16.996 ( 7.522 86.495 -0.573) 86.823 21.660 ( -26.922 -29.010 1.441) 39.604 21.980 ( -22.581 -28.053 -1.928) 36.063 24.321 ( 89.103 48.183 0.626) 101.299 24.379 ( 89.857 45.440 0.013) 100.693 31.723 ( -21.227 -20.007 3.977) 29.440 31.937 ( -21.395 -12.412 1.659) 24.790 33.877 ( -28.307 -44.732 1.836) 52.968 34.202 ( -33.660 -49.275 -1.596) 59.696======================= Grid point 534 (82/192) =======================q-point: ( 0.33 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.300 ( 42.809 15.761 8.188) 46.347 10.555 ( 8.447 9.301 -8.778) 15.327 10.879 ( -5.509 -2.902 3.394) 7.092 11.044 ( -1.397 15.328 0.100) 15.391 11.419 ( 22.163 11.786 4.671) 25.533 11.905 ( 1.460 20.324 -1.321) 20.419 13.100 ( 5.622 -9.421 1.704) 11.102 13.463 ( 11.771 -0.457 -2.282) 11.999 17.794 ( -8.577 88.896 0.203) 89.309 17.855 ( -8.392 85.269 -0.395) 85.681 20.906 ( -26.583 -25.604 2.051) 36.966 21.341 ( -19.217 -24.542 -2.546) 31.275 26.284 ( 90.074 33.167 0.805) 95.989 26.356 ( 90.986 33.206 0.025) 96.856 31.205 ( -17.429 -15.092 4.723) 23.534 31.486 ( -18.807 -7.265 1.601) 20.225 32.814 ( -37.177 -53.683 1.365) 65.314 33.043 ( -38.651 -55.128 -0.971) 67.335======================= Grid point 535 (83/192) =======================q-point: ( 0.38 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.066 ( 31.065 5.368 3.837) 31.758 10.645 ( -2.284 3.984 -3.986) 6.080 10.793 ( -3.074 -0.412 3.946) 5.019 11.165 ( -4.106 16.455 -1.724) 17.047 11.840 ( 16.528 -2.542 4.493) 17.315 12.192 ( 8.905 17.523 -0.563) 19.664 13.043 ( -0.400 -9.027 2.451) 9.363 13.607 ( 8.169 -5.117 -3.490) 10.251 18.364 ( -25.558 83.163 -0.071) 87.002 18.398 ( -24.906 79.889 -0.312) 83.682 20.294 ( -17.362 -16.224 2.847) 23.932 20.868 ( -9.835 -17.199 -3.252) 20.077 28.104 ( 85.139 23.179 0.850) 88.242 28.170 ( 84.933 21.176 0.118) 87.533 30.833 ( -10.569 -11.064 4.942) 16.079 31.125 ( -15.026 -11.849 1.078) 19.166 31.527 ( -43.784 -58.560 1.800) 73.141 31.814 ( -38.003 -47.915 -0.409) 61.157======================= Grid point 536 (84/192) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.395 ( 5.771 -9.996 -0.867) 11.575 10.632 ( -3.436 5.951 -1.716) 7.083 10.755 ( -0.611 1.059 5.791) 5.918 11.213 ( -8.567 14.838 -2.013) 17.252 11.960 ( 9.522 -16.493 5.512) 19.826 12.397 ( -4.599 7.966 -0.488) 9.211 12.974 ( 2.430 -4.209 2.706) 5.563 13.651 ( 4.570 -7.916 -4.214) 10.065 18.562 ( -43.030 74.530 -0.243) 86.060 18.583 ( -41.265 71.473 -0.292) 82.530 20.050 ( 1.778 -3.080 3.284) 4.841 20.691 ( 4.601 -7.969 -3.570) 9.870 29.295 ( 10.061 -17.425 1.482) 20.176 29.486 ( 11.100 -19.225 -0.397) 22.203 30.272 ( 18.024 -31.218 1.413) 36.075 30.576 ( 16.953 -29.364 -0.723) 33.914 30.800 ( 2.807 -4.862 5.299) 7.719 31.257 ( -4.126 7.146 1.628) 8.410======================= Grid point 553 (85/192) =======================q-point: ( 0.19 0.19 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.095 ( 24.791 42.939 15.114) 51.834 9.326 ( 15.685 27.167 -10.931) 33.219 10.532 ( 14.108 24.435 6.075) 28.862 10.901 ( 5.985 10.367 0.317) 11.975 11.405 ( -9.016 -15.616 1.140) 18.068 11.687 ( 2.811 4.869 -1.859) 5.922 12.684 ( 5.373 9.306 -0.329) 10.751 12.717 ( 11.296 19.565 -0.320) 22.594 16.060 ( 44.296 76.722 0.116) 88.591 16.119 ( 44.968 77.887 -0.492) 89.937 21.792 ( 49.839 86.323 0.622) 99.679 21.904 ( 46.181 79.987 -0.539) 92.363 22.438 ( -17.428 -30.187 1.254) 34.880 22.696 ( -17.500 -30.310 -1.427) 35.028 32.389 ( -15.683 -27.165 3.583) 31.571 32.559 ( -12.841 -22.241 1.773) 25.743 34.697 ( -19.997 -34.636 2.782) 40.091 35.216 ( -24.820 -42.990 -2.741) 49.716======================= Grid point 554 (86/192) =======================q-point: ( 0.24 0.19 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.959 ( 30.348 33.324 12.563) 46.790 9.915 ( 20.564 25.533 -11.430) 34.720 10.966 ( 7.377 20.136 8.268) 22.983 11.016 ( 2.566 3.165 1.160) 4.236 11.142 ( -6.294 -7.307 -0.047) 9.644 11.878 ( 4.050 18.439 -2.870) 19.095 12.822 ( 6.392 -1.842 0.954) 6.720 13.051 ( 10.440 9.517 -1.440) 14.199 17.533 ( 28.608 87.914 0.119) 92.451 17.598 ( 28.591 86.484 -0.557) 91.090 21.780 ( -21.860 -31.713 1.321) 38.540 22.054 ( -20.092 -31.100 -1.538) 37.058 23.513 ( 61.324 60.136 0.427) 85.891 23.531 ( 62.847 59.160 0.237) 86.311 31.842 ( -17.305 -23.650 4.669) 29.674 32.119 ( -15.196 -16.325 1.723) 22.370 33.890 ( -26.339 -45.899 1.905) 52.954 34.254 ( -31.054 -51.643 -1.923) 60.291======================= Grid point 555 (87/192) =======================q-point: ( 0.29 0.19 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.805 ( 34.211 22.516 10.192) 42.204 10.479 ( 15.509 18.335 -11.628) 26.682 10.939 ( -4.935 -3.689 2.632) 6.700 11.065 ( 5.195 -0.230 -1.534) 5.422 11.368 ( 6.881 23.057 8.757) 25.606 12.124 ( -0.583 21.850 -2.040) 21.953 12.884 ( 7.592 -8.950 1.678) 11.856 13.275 ( 9.388 1.246 -2.393) 9.768 18.770 ( 7.249 94.412 -0.057) 94.690 18.807 ( 6.452 92.206 -0.426) 92.432 21.071 ( -23.537 -28.914 1.720) 37.323 21.406 ( -18.895 -28.564 -1.829) 34.297 25.166 ( 74.364 37.004 0.821) 83.066 25.241 ( 74.981 39.898 -0.008) 84.935 31.333 ( -16.322 -18.713 5.856) 25.512 31.710 ( -16.339 -10.648 1.729) 19.579 32.864 ( -32.732 -55.887 1.312) 64.780 33.113 ( -35.717 -58.537 -1.232) 68.585======================= Grid point 556 (88/192) =======================q-point: ( 0.33 0.19 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.571 ( 32.892 11.662 7.488) 35.692 10.725 ( -0.100 7.672 -5.337) 9.346 10.849 ( -3.306 -0.071 2.186) 3.964 11.244 ( 10.236 3.110 -8.049) 13.388 11.672 ( 4.431 13.859 10.717) 18.071 12.298 ( 0.203 17.398 -0.822) 17.418 12.920 ( 5.352 -6.860 1.659) 8.857 13.409 ( 8.231 -4.875 -3.183) 10.082 19.642 ( -16.214 92.783 -0.555) 94.191 19.656 ( -15.961 93.332 -0.470) 94.688 20.435 ( -19.431 -20.049 2.630) 28.044 20.866 ( -12.692 -22.280 -2.182) 25.735 26.836 ( 83.148 22.162 0.844) 86.055 26.920 ( 81.339 22.903 -0.110) 84.502 30.912 ( -13.164 -15.046 6.386) 20.987 31.281 ( -21.449 -21.407 1.139) 30.325 31.640 ( -38.977 -61.764 1.653) 73.053 31.934 ( -30.770 -46.753 -0.184) 55.970======================= Grid point 557 (89/192) =======================q-point: ( 0.38 0.19 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.106 ( 19.089 -0.907 4.096) 19.544 10.755 ( -2.852 6.555 -1.975) 7.416 10.807 ( -2.920 1.810 2.741) 4.395 11.366 ( 4.247 -4.177 -7.557) 9.622 11.761 ( -2.139 4.291 9.708) 10.827 12.514 ( 3.201 13.658 -1.752) 14.137 12.909 ( 0.267 -4.550 2.434) 5.167 13.469 ( 6.547 -8.382 -3.562) 11.216 19.984 ( -15.146 16.929 -1.336) 22.755 20.076 ( -36.869 83.826 -0.789) 91.579 20.161 ( -29.820 63.651 3.548) 70.380 20.557 ( -2.058 -12.142 -2.013) 12.478 28.462 ( 76.447 12.201 0.412) 77.415 28.474 ( 78.315 9.154 0.281) 78.849 30.125 ( -40.563 -65.099 0.585) 76.705 30.266 ( -31.772 -62.688 -0.695) 70.283 30.788 ( -6.296 -9.211 8.204) 13.849 31.425 ( -9.160 -0.009 1.699) 9.316======================= Grid point 575 (90/192) =======================q-point: ( 0.24 0.24 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.614 ( 18.441 31.941 10.903) 38.461 10.428 ( 14.082 24.391 -12.608) 30.858 10.969 ( -2.986 -5.172 2.591) 6.510 11.009 ( -0.554 -0.959 0.121) 1.114 11.441 ( 11.866 20.553 7.772) 24.972 12.274 ( 10.863 18.816 -2.911) 21.920 12.738 ( -3.191 -5.527 2.336) 6.796 13.194 ( 2.836 4.911 -2.517) 6.205 19.224 ( 45.562 78.915 -0.146) 91.123 19.262 ( 44.586 77.226 -0.596) 89.174 21.133 ( -18.469 -31.989 1.635) 36.974 21.426 ( -17.682 -30.626 -1.482) 35.395 24.658 ( 32.988 57.137 0.924) 65.983 24.747 ( 34.856 60.373 -0.069) 69.712 31.383 ( -12.606 -21.833 6.335) 25.995 31.805 ( -8.812 -15.263 1.790) 17.715 32.862 ( -32.432 -56.173 1.284) 64.876 33.128 ( -34.587 -59.907 -1.397) 69.188======================= Grid point 576 (91/192) =======================q-point: ( 0.29 0.24 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.238 ( 22.550 20.952 9.197) 32.126 10.796 ( 3.359 11.139 -7.594) 13.894 10.901 ( -2.374 0.816 0.066) 2.511 11.044 ( 8.702 -1.674 -3.034) 9.367 11.797 ( 5.099 18.590 8.515) 21.073 12.502 ( -5.312 13.248 -0.270) 14.275 12.728 ( 10.597 -3.218 0.746) 11.100 13.257 ( 3.591 -2.786 -3.090) 5.496 20.480 ( -9.992 -0.202 -1.830) 10.160 20.611 ( 14.144 77.944 -2.343) 79.252 20.675 ( 8.403 63.399 3.317) 64.040 20.877 ( -11.509 -14.609 0.345) 18.601 25.852 ( 53.702 32.390 1.058) 62.722 25.975 ( 52.878 33.938 -0.320) 62.833 30.972 ( -12.396 -18.029 7.479) 23.123 31.412 ( -21.870 -29.461 1.212) 36.712 31.659 ( -35.812 -62.569 1.392) 72.106 31.964 ( -26.427 -45.043 -0.221) 52.224======================= Grid point 577 (92/192) =======================q-point: ( 0.33 0.24 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.790 ( 20.888 10.768 7.053) 24.536 10.843 ( -1.310 2.882 1.082) 3.346 10.882 ( -2.802 3.429 -2.633) 5.152 11.146 ( 5.716 -11.715 -3.082) 13.395 11.967 ( -3.521 15.305 3.164) 16.020 12.587 ( 2.406 11.839 0.386) 12.087 12.856 ( 3.384 -0.511 -0.038) 3.422 13.278 ( 5.120 -7.625 -2.130) 9.428 20.073 ( -10.828 -12.918 1.304) 16.906 20.437 ( -6.040 -18.256 -2.601) 19.405 21.515 ( -18.237 90.399 0.681) 92.222 21.566 ( -17.287 92.645 0.136) 94.244 27.187 ( 73.082 13.081 0.758) 74.247 27.280 ( 69.651 13.216 -0.298) 70.895 30.176 ( -39.680 -64.922 0.606) 76.090 30.254 ( -40.181 -68.061 -0.300) 79.038 30.806 ( -8.397 -13.218 9.379) 18.254 31.549 ( -7.000 -3.577 1.726) 8.049======================= Grid point 578 (93/192) =======================q-point: ( 0.38 0.24 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.063 ( 1.445 -2.502 5.274) 6.014 10.850 ( -1.384 2.397 2.519) 3.743 10.873 ( -1.405 2.433 -2.638) 3.854 11.085 ( 8.375 -14.505 0.677) 16.763 12.018 ( -8.964 15.527 -0.241) 17.930 12.711 ( -2.904 5.029 -5.176) 7.779 12.855 ( 0.213 -0.369 4.307) 4.328 13.284 ( 5.504 -9.533 -1.170) 11.070 19.910 ( 1.408 -2.438 1.482) 3.181 20.289 ( 6.188 -10.718 -2.546) 12.636 21.811 ( -47.398 82.096 0.684) 94.798 21.884 ( -48.402 83.834 -0.109) 96.803 28.357 ( 19.171 -33.205 0.625) 38.347 28.463 ( 19.624 -33.991 -0.419) 39.251 28.931 ( 16.114 -27.911 1.001) 32.245 29.132 ( 19.509 -33.791 -1.069) 39.033 30.684 ( 1.750 -3.032 10.275) 10.855 31.477 ( -1.929 3.341 1.935) 4.316======================= Grid point 598 (94/192) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.654 ( 11.819 20.471 7.993) 24.953 10.865 ( 0.085 0.146 1.001) 1.015 10.957 ( -2.620 -4.537 -5.334) 7.476 11.004 ( 0.667 1.156 -0.228) 1.354 12.087 ( 6.322 10.950 0.774) 12.667 12.650 ( 4.399 7.619 5.815) 10.546 12.800 ( 2.119 3.671 -5.423) 6.883 13.186 ( -1.991 -3.448 -0.893) 4.080 20.109 ( -8.946 -15.496 1.011) 17.921 20.392 ( -10.866 -18.820 -1.989) 21.822 22.221 ( 38.770 67.151 0.486) 77.541 22.270 ( 40.234 69.688 0.002) 80.468 26.524 ( 21.080 36.512 0.942) 42.171 26.652 ( 20.352 35.251 -0.470) 40.707 30.196 ( -37.759 -65.400 0.729) 75.521 30.264 ( -40.331 -69.854 -0.243) 80.661 30.812 ( -8.349 -14.460 9.735) 19.328 31.593 ( -3.395 -5.881 1.737) 7.009======================= Grid point 599 (95/192) =======================q-point: ( 0.33 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.029 ( 8.741 13.666 6.238) 17.380 10.737 ( -1.888 -18.362 0.376) 18.462 10.887 ( -0.573 1.045 1.969) 2.302 11.025 ( -0.813 2.117 0.137) 2.272 12.277 ( -0.658 15.275 -6.525) 16.623 12.749 ( -2.052 -1.144 -7.646) 7.998 12.857 ( 4.316 4.354 5.002) 7.912 13.131 ( 1.140 -6.543 3.743) 7.624 19.906 ( -3.467 -3.543 0.739) 5.012 20.118 ( -1.189 -13.006 -1.500) 13.146 23.188 ( -11.330 71.313 0.612) 72.209 23.285 ( -10.769 73.737 -0.403) 74.521 27.370 ( 49.174 5.273 0.560) 49.459 27.451 ( 47.612 3.418 -0.312) 47.735 28.863 ( -36.166 -58.635 0.197) 68.892 28.911 ( -32.314 -60.053 -0.296) 68.195 30.647 ( -1.701 -4.678 11.369) 12.411 31.528 ( -1.606 0.071 1.998) 2.565======================= Grid point 620 (96/192) =======================q-point: ( 0.33 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.351 ( -9.139 -15.829 4.396) 18.799 10.351 ( 9.139 15.829 4.396) 18.799 10.900 ( -0.000 -0.000 1.795) 1.795 11.055 ( -0.000 -0.000 0.072) 0.072 12.567 ( -6.524 -11.299 -11.301) 17.261 12.567 ( 6.524 11.299 -11.301) 17.261 13.001 ( -3.515 -6.089 7.543) 10.312 13.001 ( 3.515 6.089 7.543) 10.312 19.929 ( -2.778 -4.811 -0.350) 5.566 19.929 ( 2.778 4.811 -0.350) 5.566 24.017 ( -0.000 -0.000 0.700) 0.700 24.150 ( -0.000 -0.000 -0.691) 0.691 27.423 ( -1.314 -2.275 0.194) 2.635 27.423 ( 1.314 2.275 0.194) 2.635 28.202 ( -0.663 -1.149 -0.120) 1.332 28.202 ( 0.663 1.149 -0.120) 1.332 30.601 ( -0.000 -0.000 12.000) 12.000 31.531 ( -0.000 -0.000 2.061) 2.061======================= Grid point 926 (97/192) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( 0.000 0.000 49.229) 49.229 2.091 ( -0.000 0.000 49.229) 49.229 3.705 ( 0.000 0.000 86.220) 86.220 4.715 ( -0.000 0.000 -31.693) 31.693 4.715 ( 0.000 0.000 -31.693) 31.693 8.062 ( 0.000 0.000 -47.426) 47.426 9.753 ( 0.000 0.000 15.004) 15.004 9.753 ( 0.000 0.000 15.004) 15.004 10.640 ( 0.000 0.000 -10.260) 10.260 10.640 ( 0.000 0.000 -10.260) 10.260 15.376 ( -0.000 -0.000 5.665) 5.665 15.684 ( 0.000 -0.000 -2.887) 2.887 24.557 ( 0.000 0.000 0.236) 0.236 24.600 ( -0.000 -0.000 -0.824) 0.824 35.277 ( 0.000 -0.000 7.190) 7.190 35.277 ( 0.000 -0.000 7.190) 7.190 35.403 ( 0.000 -0.000 3.716) 3.716 35.403 ( 0.000 -0.000 3.716) 3.716======================= Grid point 927 (98/192) =======================q-point: ( 0.05 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.912 ( 60.069 34.681 35.439) 77.891 3.441 ( 41.010 23.677 57.164) 74.230 4.219 ( 82.506 47.635 52.587) 108.820 5.156 ( 36.024 20.799 -29.844) 51.196 5.753 ( 78.062 45.069 -29.600) 94.875 8.060 ( 1.967 1.135 -43.256) 43.316 9.806 ( 4.604 2.658 15.504) 16.390 9.956 ( 17.207 9.935 15.095) 24.953 10.705 ( 5.647 3.261 -10.242) 12.142 10.933 ( 24.220 13.983 -13.022) 30.850 14.847 ( -38.072 -21.981 23.843) 50.011 15.529 ( -12.835 -7.411 -4.461) 15.478 24.410 ( -9.394 -5.424 5.718) 12.262 24.574 ( -2.192 -1.266 -1.365) 2.876 35.205 ( -6.136 -3.543 6.898) 9.889 35.323 ( -6.896 -3.982 3.673) 8.769 35.495 ( 7.506 4.334 5.237) 10.127 35.816 ( 36.001 20.785 -14.824) 44.135======================= Grid point 928 (99/192) =======================q-point: ( 0.10 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.867 ( 15.449 8.920 70.509) 72.730 4.490 ( 71.715 41.405 23.191) 85.996 6.248 ( 55.235 31.890 -27.016) 69.266 6.834 ( 116.895 67.489 18.692) 136.267 7.367 ( 31.516 18.196 -39.925) 54.022 8.632 ( 67.555 39.003 -26.534) 82.395 9.970 ( 9.712 5.607 17.095) 20.445 10.562 ( 37.022 21.375 19.102) 46.823 10.905 ( 11.677 6.742 -10.184) 16.897 11.730 ( 45.163 26.075 -14.504) 54.129 13.940 ( -36.571 -21.114 35.772) 55.344 15.137 ( -19.358 -11.176 -8.318) 23.850 24.220 ( -6.790 -3.920 7.169) 10.624 24.498 ( -4.458 -2.574 -2.402) 5.680 34.993 ( -12.175 -7.029 6.089) 15.321 35.085 ( -13.508 -7.799 3.546) 15.996 35.714 ( 10.345 5.973 8.227) 14.504 36.541 ( 23.123 13.350 -26.115) 37.348======================= Grid point 929 (100/192) =======================q-point: ( 0.14 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.315 ( 23.773 13.726 60.408) 66.353 6.120 ( 67.412 38.920 17.232) 79.725 7.589 ( 57.983 33.476 -25.966) 71.811 7.605 ( 3.910 2.257 -37.299) 37.572 9.251 ( 86.903 50.173 9.018) 100.751 10.273 ( 17.164 9.910 19.792) 28.010 10.291 ( 54.581 31.512 -19.023) 65.833 11.254 ( 18.722 10.809 -9.995) 23.818 11.864 ( 72.174 41.670 20.309) 85.778 13.057 ( 39.769 22.961 -11.011) 47.223 13.266 ( 10.065 5.811 32.323) 34.349 14.798 ( -1.558 -0.900 -13.326) 13.447 24.071 ( -6.821 -3.938 5.492) 9.602 24.360 ( -7.624 -4.401 -3.085) 9.328 34.643 ( -17.932 -10.353 4.944) 21.288 34.701 ( -19.511 -11.264 3.350) 22.776 35.930 ( 7.518 4.340 10.167) 13.368 36.870 ( 6.062 3.500 -21.172) 22.299======================= Grid point 930 (101/192) =======================q-point: ( 0.19 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.981 ( 33.732 19.475 48.439) 62.157 7.559 ( 55.843 32.241 13.774) 65.937 7.750 ( 9.879 5.704 -31.149) 33.172 8.816 ( 45.329 26.171 -24.683) 57.870 10.818 ( 51.065 29.482 2.420) 59.014 10.821 ( 31.591 18.239 21.082) 42.131 11.255 ( 34.059 19.664 -7.722) 40.079 11.785 ( 27.315 15.770 -9.337) 32.894 12.630 ( -19.932 -11.508 18.773) 29.701 12.836 ( 0.625 0.361 7.047) 7.084 15.321 ( 108.446 62.611 0.419) 125.224 15.807 ( 91.001 52.539 -10.445) 105.597 23.874 ( -10.726 -6.193 3.989) 13.012 24.132 ( -12.413 -7.166 -3.202) 14.686 34.167 ( -23.078 -13.324 3.718) 26.906 34.189 ( -24.492 -14.141 3.100) 28.450 36.030 ( 0.542 0.313 10.160) 10.179 36.857 ( -6.596 -3.808 -14.587) 16.455======================= Grid point 931 (102/192) =======================q-point: ( 0.24 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.873 ( 43.048 24.854 37.539) 62.289 8.098 ( 20.546 11.862 -25.135) 34.563 8.681 ( 40.865 23.594 10.821) 48.412 9.632 ( 25.941 14.977 -17.224) 34.553 11.715 ( 23.107 13.341 2.632) 26.811 11.755 ( 47.507 27.428 15.203) 56.924 11.942 ( 24.289 14.023 -1.740) 28.100 12.304 ( -2.591 -1.496 6.981) 7.595 12.497 ( -19.853 -11.462 1.470) 22.971 12.521 ( 35.932 20.745 -7.760) 42.210 17.990 ( 118.406 68.362 2.049) 136.738 18.289 ( 113.999 65.817 -5.805) 131.763 23.554 ( -17.200 -9.930 3.035) 20.091 23.774 ( -18.624 -10.753 -2.990) 21.712 33.575 ( -27.929 -16.125 2.874) 32.378 33.585 ( -27.117 -15.656 2.613) 31.421 35.937 ( -8.877 -5.125 8.714) 13.454 36.580 ( -17.119 -9.884 -9.601) 21.976======================= Grid point 932 (103/192) =======================q-point: ( 0.29 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.958 ( 50.050 28.897 28.786) 64.565 8.705 ( 31.590 18.238 -19.915) 41.559 9.466 ( 27.509 15.882 7.928) 32.739 10.098 ( 15.736 9.085 -9.799) 20.644 11.727 ( -9.343 -5.394 5.849) 12.272 11.916 ( -20.475 -11.821 1.062) 23.666 12.596 ( 24.484 14.136 -0.069) 28.272 12.678 ( 21.790 12.580 -1.756) 25.222 12.914 ( 50.480 29.145 8.624) 58.924 13.417 ( 40.418 23.336 -5.570) 47.002 20.711 ( 115.187 66.503 1.907) 133.020 20.922 ( 111.725 64.504 -3.779) 129.064 23.069 ( -24.597 -14.201 2.666) 28.527 23.268 ( -24.865 -14.356 -2.771) 28.844 32.905 ( -29.517 -17.042 2.610) 34.183 32.930 ( -29.080 -16.789 1.918) 33.633 35.608 ( -19.641 -11.340 6.674) 23.641 36.068 ( -27.033 -15.608 -6.129) 31.811======================= Grid point 933 (104/192) =======================q-point: ( 0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.160 ( 52.730 30.444 22.044) 64.755 9.530 ( 38.361 22.148 -16.176) 47.157 9.988 ( 18.108 10.454 5.574) 21.639 10.402 ( 10.944 6.318 -5.858) 13.928 11.480 ( -15.243 -8.800 3.743) 17.994 11.541 ( -6.067 -3.503 1.857) 7.248 13.117 ( 19.626 11.331 -0.644) 22.671 13.132 ( 16.650 9.613 -0.763) 19.241 14.031 ( 44.941 25.947 5.041) 52.138 14.346 ( 38.735 22.364 -3.671) 44.878 22.389 ( -30.016 -17.330 2.184) 34.728 22.604 ( -27.256 -15.736 -3.790) 31.700 23.327 ( 105.351 60.824 2.167) 121.668 23.462 ( 103.334 59.660 -1.606) 119.331 32.228 ( -28.442 -16.421 2.443) 32.933 32.258 ( -28.365 -16.376 1.609) 32.792 35.021 ( -31.135 -17.976 4.698) 36.258 35.329 ( -36.768 -21.228 -3.772) 42.623======================= Grid point 934 (105/192) =======================q-point: ( 0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.336 ( 46.618 26.915 16.054) 56.173 10.328 ( 11.599 6.696 3.954) 13.964 10.358 ( 27.652 15.965 -13.522) 34.675 10.616 ( 7.592 4.383 -3.947) 9.613 11.263 ( -0.101 -0.058 7.523) 7.524 11.524 ( 6.757 3.901 -1.140) 7.885 13.416 ( 7.640 4.411 1.022) 8.880 13.504 ( 13.385 7.728 -1.661) 15.545 14.965 ( 35.106 20.268 3.226) 40.665 15.173 ( 31.883 18.408 -2.488) 36.899 21.613 ( -34.831 -20.110 3.436) 40.366 21.907 ( -30.341 -17.517 -4.604) 35.336 25.702 ( 97.685 56.399 1.661) 112.809 25.794 ( 96.657 55.805 -0.895) 111.613 31.610 ( -24.363 -14.066 2.476) 28.241 31.643 ( -24.060 -13.891 1.548) 27.825 34.163 ( -42.917 -24.778 3.221) 49.661 34.367 ( -46.095 -26.613 -2.365) 53.278======================= Grid point 935 (106/192) =======================q-point: ( 0.43 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.179 ( 23.469 13.550 8.064) 28.273 10.536 ( 6.551 3.782 2.967) 8.125 10.617 ( -0.223 -0.129 -4.760) 4.767 10.756 ( 4.539 2.621 -3.052) 6.065 11.573 ( 23.792 13.736 7.667) 28.522 11.961 ( 27.869 16.090 -3.262) 32.345 13.469 ( -3.183 -1.838 3.685) 5.205 13.733 ( 6.281 3.626 -3.821) 8.198 15.635 ( 22.358 12.908 2.358) 25.924 15.793 ( 21.098 12.181 -1.968) 24.441 20.845 ( -29.694 -17.144 5.001) 34.651 21.261 ( -24.038 -13.878 -6.346) 28.473 27.832 ( 85.731 49.497 1.974) 99.013 27.918 ( 85.968 49.634 -0.407) 99.268 31.126 ( -16.781 -9.689 2.745) 19.571 31.171 ( -16.204 -9.355 1.510) 18.771 33.038 ( -53.762 -31.039 2.481) 62.128 33.202 ( -54.102 -31.236 -1.990) 62.504======================= Grid point 936 (107/192) =======================q-point: ( 0.48 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.468 ( 4.610 2.661 2.456) 5.862 10.578 ( -1.508 -0.871 -0.972) 1.995 10.636 ( 2.127 1.228 2.499) 3.504 10.826 ( 1.515 0.875 -2.700) 3.217 12.172 ( 21.336 12.319 7.702) 25.813 12.499 ( 13.038 7.527 -1.412) 15.121 13.306 ( -7.938 -4.583 6.500) 11.237 13.804 ( 0.642 0.371 -6.997) 7.036 15.986 ( 7.684 4.436 2.037) 9.104 16.128 ( 7.415 4.281 -1.842) 8.758 20.334 ( -12.307 -7.106 6.441) 15.603 20.859 ( -9.379 -5.415 -7.843) 13.372 29.602 ( 60.948 35.188 2.870) 70.435 29.699 ( 62.306 35.972 0.145) 71.945 30.857 ( -6.021 -3.476 3.006) 7.574 30.913 ( -5.739 -3.314 1.470) 6.788 31.741 ( -52.872 -30.526 2.322) 61.096 31.936 ( -49.016 -28.300 -3.037) 56.681======================= Grid point 948 (108/192) =======================q-point: ( 0.05 0.05 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.769 ( 8.204 14.209 71.580) 73.436 4.103 ( 43.120 74.686 25.138) 89.829 5.767 ( 41.007 71.027 -4.288) 82.127 6.273 ( 58.849 101.930 -1.332) 117.706 7.041 ( 35.005 60.630 -34.787) 78.176 8.275 ( 19.786 34.271 -31.679) 50.691 9.927 ( 5.568 9.644 16.793) 20.149 10.335 ( 15.977 27.672 16.639) 36.026 10.867 ( 7.974 13.811 -9.856) 18.747 11.452 ( 21.622 37.451 -14.624) 45.650 14.174 ( -22.408 -38.812 34.724) 56.695 15.255 ( -10.819 -18.739 -7.137) 22.785 24.264 ( -4.327 -7.494 7.358) 11.359 24.523 ( -2.198 -3.807 -2.133) 4.887 35.065 ( -6.028 -10.441 6.357) 13.629 35.165 ( -6.706 -11.616 3.594) 13.886 35.648 ( 5.772 9.998 7.441) 13.735 36.380 ( 16.180 28.024 -25.623) 41.275======================= Grid point 949 (109/192) =======================q-point: ( 0.10 0.05 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.125 ( 15.653 17.204 64.182) 68.267 5.670 ( 49.673 70.423 18.049) 88.049 7.134 ( 46.571 56.225 -21.983) 76.245 7.565 ( 5.361 4.901 -38.766) 39.440 8.491 ( 70.399 84.007 6.740) 109.811 9.652 ( 57.266 52.137 -21.661) 80.417 10.219 ( 11.864 21.667 19.182) 31.276 10.991 ( 24.768 18.208 6.238) 31.367 11.447 ( 33.747 52.558 5.678) 62.717 12.481 ( 48.961 49.843 -13.517) 71.163 13.441 ( -22.429 -26.009 35.102) 49.108 14.865 ( -10.846 -13.036 -11.484) 20.481 24.124 ( -4.772 -5.526 6.131) 9.534 24.417 ( -4.793 -5.548 -2.911) 7.888 34.787 ( -12.100 -13.426 5.416) 18.868 34.860 ( -13.240 -14.580 3.426) 19.991 35.855 ( 6.917 7.284 9.702) 13.965 36.793 ( 8.758 9.601 -23.575) 26.920======================= Grid point 950 (110/192) =======================q-point: ( 0.14 0.05 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.676 ( 25.113 22.367 53.048) 62.810 7.149 ( 43.515 57.613 12.075) 73.203 7.681 ( 6.496 8.374 -31.060) 32.818 8.470 ( 40.093 51.033 -23.994) 69.192 10.089 ( 48.754 27.642 6.999) 56.481 10.735 ( 30.010 32.490 1.127) 44.244 10.917 ( 28.127 38.602 1.983) 47.803 11.574 ( 23.048 22.542 -4.199) 32.511 12.707 ( 26.290 28.866 10.850) 40.523 12.827 ( -18.240 -17.977 21.121) 33.196 14.290 ( 84.749 70.043 -0.776) 109.950 15.077 ( 45.078 37.371 -13.679) 60.131 23.962 ( -7.315 -7.091 4.516) 11.144 24.235 ( -8.579 -8.304 -3.213) 12.364 34.378 ( -17.868 -15.969 4.294) 24.346 34.418 ( -19.234 -16.736 3.187) 25.694 35.998 ( 3.410 1.603 10.394) 11.056 36.887 ( -1.404 -2.589 -17.114) 17.365======================= Grid point 951 (111/192) =======================q-point: ( 0.19 0.05 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.448 ( 35.105 26.855 41.886) 60.893 7.881 ( 16.187 9.514 -26.790) 32.715 8.416 ( 31.386 48.135 10.929) 58.494 9.452 ( 22.881 33.772 -19.616) 45.265 11.082 ( 44.862 19.560 9.135) 49.786 11.571 ( 31.966 21.810 -4.632) 38.974 11.736 ( 19.940 40.282 7.258) 45.530 12.268 ( 22.272 27.220 -4.235) 35.424 12.396 ( -9.823 -7.975 13.180) 18.271 12.746 ( -14.949 -3.797 0.860) 15.447 16.742 ( 106.795 77.494 1.719) 131.960 17.094 ( 100.743 72.723 -7.202) 124.458 23.705 ( -12.432 -10.856 3.366) 16.845 23.940 ( -13.871 -12.114 -3.095) 18.675 33.852 ( -22.978 -17.903 3.258) 29.311 33.865 ( -24.076 -17.902 2.892) 30.142 35.982 ( -3.359 -5.673 9.458) 11.529 36.710 ( -10.660 -11.357 -11.580) 19.409======================= Grid point 952 (112/192) =======================q-point: ( 0.24 0.05 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.424 ( 44.162 29.548 32.394) 62.232 8.365 ( 25.925 15.100 -22.094) 37.260 9.293 ( 21.763 34.701 8.936) 41.924 10.009 ( 12.219 21.285 -11.389) 27.057 11.764 ( 3.790 -2.624 5.734) 7.357 12.055 ( -7.897 -11.532 0.083) 13.977 12.210 ( 24.767 11.599 5.424) 27.882 12.387 ( 21.195 10.440 -1.553) 23.677 12.794 ( 20.211 52.359 5.356) 56.379 13.195 ( 26.759 45.160 -5.102) 52.740 19.417 ( 111.916 72.496 2.075) 133.361 19.659 ( 108.649 69.318 -4.422) 128.955 23.299 ( -19.213 -15.604 2.721) 24.900 23.503 ( -20.012 -16.360 -2.842) 26.004 33.227 ( -27.299 -18.443 2.740) 33.059 33.240 ( -26.666 -18.360 2.362) 32.462 35.753 ( -12.124 -13.631 7.601) 19.763 36.295 ( -19.510 -18.884 -7.595) 28.195======================= Grid point 953 (113/192) =======================q-point: ( 0.29 0.05 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.552 ( 50.583 29.642 24.929) 63.709 9.076 ( 35.436 18.473 -17.690) 43.703 9.897 ( 13.958 25.610 6.526) 29.888 10.365 ( 7.511 16.929 -6.554) 19.646 11.602 ( -8.068 -7.118 3.158) 11.213 11.645 ( -14.704 -13.129 2.437) 19.863 12.825 ( 25.591 10.814 0.163) 27.783 12.893 ( 21.076 9.076 -1.600) 23.003 13.833 ( 28.251 58.589 4.910) 65.230 14.148 ( 26.649 49.140 -3.735) 56.026 22.026 ( 106.788 62.802 1.297) 123.893 22.187 ( 103.748 59.642 -3.084) 119.709 22.734 ( -22.683 -18.080 2.977) 29.159 22.930 ( -23.230 -18.677 -2.500) 29.912 32.557 ( -28.413 -17.614 2.581) 33.529 32.581 ( -27.960 -17.490 1.920) 33.035 35.280 ( -22.103 -21.760 5.544) 31.508 35.654 ( -28.357 -25.955 -4.806) 38.741======================= Grid point 954 (114/192) =======================q-point: ( 0.33 0.05 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.734 ( 51.506 25.994 18.806) 60.681 9.891 ( 35.540 13.718 -13.561) 40.437 10.328 ( 9.229 21.852 3.862) 24.033 10.632 ( 4.701 16.162 -4.523) 17.429 11.304 ( -8.038 -7.717 5.606) 12.474 11.491 ( -0.875 -0.976 -0.231) 1.331 13.264 ( 13.991 3.641 0.056) 14.457 13.295 ( 18.384 6.733 -0.981) 19.603 14.849 ( 22.130 54.147 3.209) 58.582 15.058 ( 20.683 48.376 -2.527) 52.673 21.978 ( -31.701 -22.949 2.817) 39.237 22.223 ( -28.277 -21.393 -3.906) 35.673 24.506 ( 103.236 55.338 1.638) 117.144 24.607 ( 101.934 53.404 -1.144) 115.082 31.907 ( -26.470 -15.673 2.680) 30.879 31.942 ( -26.299 -14.447 1.696) 30.054 34.544 ( -32.837 -29.751 3.798) 44.473 34.790 ( -37.128 -32.630 -2.946) 49.516======================= Grid point 955 (115/192) =======================q-point: ( 0.38 0.05 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.773 ( 39.793 16.482 11.839) 44.669 10.409 ( 14.585 3.001 -5.173) 15.763 10.619 ( 2.092 11.718 0.387) 11.909 10.815 ( -1.764 9.042 -2.756) 9.616 11.370 ( 15.366 12.517 6.117) 20.741 11.658 ( 19.292 9.372 -2.303) 21.572 13.432 ( 4.491 -2.816 2.319) 5.786 13.602 ( 11.690 2.249 -2.614) 12.188 15.655 ( 11.111 47.642 2.199) 48.970 15.803 ( 10.810 44.074 -1.847) 45.418 21.186 ( -31.604 -22.021 4.134) 38.741 21.532 ( -26.032 -19.547 -5.317) 32.985 26.739 ( 94.490 46.447 1.654) 105.302 26.819 ( 94.738 45.820 -0.542) 105.238 31.349 ( -20.981 -11.888 3.057) 24.308 31.403 ( -21.058 -9.579 1.544) 23.186 33.541 ( -43.758 -37.288 2.713) 57.554 33.714 ( -45.326 -38.519 -2.012) 59.516======================= Grid point 956 (116/192) =======================q-point: ( 0.43 0.05 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.347 ( 14.420 5.092 3.445) 15.676 10.548 ( 2.683 -2.467 -2.960) 4.695 10.704 ( -1.877 9.999 2.838) 10.562 10.842 ( -0.643 3.711 -0.176) 3.770 11.893 ( 24.649 16.641 6.675) 30.481 12.234 ( 25.851 9.727 -2.392) 27.723 13.364 ( -5.107 -8.113 5.199) 10.905 13.746 ( 5.012 -2.036 -5.436) 7.669 16.171 ( -2.702 39.762 1.710) 39.891 16.293 ( -2.008 37.214 -1.612) 37.303 20.520 ( -21.098 -14.685 5.749) 26.340 20.989 ( -15.807 -12.817 -7.048) 21.536 28.701 ( 81.610 36.596 2.136) 89.465 28.785 ( 82.243 36.226 -0.189) 89.868 30.967 ( -11.814 -6.002 3.518) 13.710 31.044 ( -12.252 -2.967 1.404) 12.684 32.295 ( -51.845 -42.837 2.385) 67.295 32.462 ( -50.580 -42.151 -2.182) 65.878======================= Grid point 957 (117/192) =======================q-point: ( 0.48 0.05 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.481 ( 0.104 -0.181 0.604) 0.639 10.541 ( 1.379 -2.389 -1.531) 3.155 10.745 ( -4.812 8.334 2.673) 9.987 10.859 ( -1.060 1.836 -0.141) 2.125 12.305 ( 0.222 -0.385 5.865) 5.882 12.509 ( 3.530 -6.114 0.475) 7.076 13.224 ( 1.642 -2.843 6.693) 7.455 13.768 ( 2.130 -3.689 -7.681) 8.783 16.348 ( -17.917 31.033 1.570) 35.868 16.464 ( -16.666 28.866 -1.579) 33.369 20.248 ( 0.791 -1.369 6.592) 6.779 20.779 ( 1.418 -2.457 -7.883) 8.378 29.917 ( 5.567 -9.642 3.474) 11.663 30.051 ( 5.021 -8.697 -0.209) 10.045 30.850 ( -1.363 2.361 4.179) 4.990 30.943 ( -2.917 5.053 1.701) 6.078 31.240 ( 5.928 -10.268 2.194) 12.058 31.469 ( 6.843 -11.852 -4.000) 14.258======================= Grid point 971 (118/192) =======================q-point: ( 0.10 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.568 ( 15.627 27.066 54.636) 62.943 7.091 ( 37.297 64.600 9.239) 75.164 7.679 ( 6.516 11.287 -29.144) 31.926 8.378 ( 36.262 62.808 -20.795) 75.447 9.795 ( 25.680 44.480 3.983) 51.515 10.553 ( 22.413 38.821 -15.852) 47.547 10.961 ( 29.389 50.904 15.166) 60.703 11.438 ( 15.804 27.374 3.494) 31.801 12.622 ( 26.563 46.009 7.990) 53.724 12.899 ( -13.382 -23.178 21.373) 34.251 13.879 ( 50.035 86.663 -0.375) 100.071 14.896 ( 17.449 30.223 -14.444) 37.770 23.990 ( -4.774 -8.269 4.727) 10.654 24.267 ( -5.585 -9.674 -3.201) 11.620 34.455 ( -11.306 -19.583 4.562) 23.068 34.505 ( -11.941 -20.682 3.208) 24.096 35.971 ( 2.012 3.485 10.423) 11.173 36.882 ( -0.652 -1.129 -18.130) 18.176======================= Grid point 972 (119/192) =======================q-point: ( 0.14 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.213 ( 24.903 30.979 44.390) 59.585 7.752 ( 10.732 11.984 -27.734) 32.062 8.464 ( 27.756 56.480 10.593) 63.817 9.461 ( 22.856 42.922 -18.708) 52.102 10.632 ( 33.849 32.195 8.155) 47.421 11.288 ( 25.511 26.960 -11.234) 38.780 11.908 ( 13.704 47.929 7.917) 50.474 12.140 ( 30.160 34.311 1.748) 45.716 12.466 ( -11.643 -16.390 16.820) 26.212 12.919 ( -5.082 1.785 -0.181) 5.389 15.948 ( 79.355 93.206 1.371) 122.420 16.357 ( 71.334 83.717 -8.530) 110.317 23.774 ( -8.834 -11.972 3.582) 15.303 24.018 ( -10.015 -13.567 -3.145) 17.154 34.005 ( -16.842 -21.117 3.755) 27.270 34.036 ( -17.563 -21.266 2.911) 27.734 35.969 ( -2.048 -4.995 9.822) 11.208 36.746 ( -7.474 -11.738 -12.887) 18.966======================= Grid point 973 (120/192) =======================q-point: ( 0.19 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.049 ( 34.188 32.713 35.132) 58.934 8.131 ( 18.311 15.573 -23.880) 33.883 9.362 ( 17.736 43.372 9.413) 47.795 10.068 ( 10.489 26.923 -10.592) 30.775 11.527 ( 27.965 20.409 3.246) 34.772 11.928 ( 17.643 12.584 -5.425) 22.340 12.138 ( -5.469 -5.473 8.350) 11.383 12.228 ( 1.819 -2.986 3.517) 4.959 13.053 ( 19.240 60.954 3.100) 63.994 13.291 ( 22.323 53.161 -2.950) 57.733 18.375 ( 94.728 84.081 2.125) 126.679 18.638 ( 91.239 79.710 -4.860) 121.251 23.428 ( -14.575 -16.939 2.827) 22.525 23.638 ( -15.543 -18.144 -2.894) 24.066 33.454 ( -21.648 -21.617 3.224) 30.762 33.478 ( -22.165 -20.527 2.558) 30.318 35.783 ( -8.414 -14.505 8.224) 18.676 36.389 ( -14.824 -20.855 -8.850) 27.074======================= Grid point 974 (121/192) =======================q-point: ( 0.24 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.042 ( 42.351 31.603 27.544) 59.590 8.709 ( 27.783 19.189 -19.543) 39.013 9.985 ( 11.067 32.938 7.382) 35.523 10.450 ( 6.234 22.021 -5.739) 23.595 11.656 ( -6.167 -6.661 3.021) 9.566 11.741 ( -13.099 -16.099 1.794) 20.832 12.505 ( 25.028 15.722 1.054) 29.575 12.614 ( 21.403 10.831 -2.306) 24.098 14.115 ( 20.752 76.190 3.187) 79.030 14.329 ( 22.897 67.512 -2.674) 71.340 20.861 ( 100.602 70.742 1.717) 122.997 21.031 ( 98.105 66.758 -2.895) 118.700 22.923 ( -20.988 -21.849 2.532) 30.402 23.115 ( -21.007 -22.322 -2.687) 30.769 32.833 ( -24.880 -20.755 3.135) 32.552 32.867 ( -25.085 -18.551 2.170) 31.275 35.376 ( -16.310 -24.212 6.228) 29.850 35.813 ( -22.464 -29.350 -5.890) 37.426======================= Grid point 975 (122/192) =======================q-point: ( 0.29 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.127 ( 47.498 27.287 21.388) 58.805 9.445 ( 33.311 18.445 -16.184) 41.373 10.441 ( 7.092 27.652 5.856) 29.141 10.741 ( 3.738 18.969 -3.262) 19.607 11.369 ( -10.369 -11.785 3.903) 16.175 11.524 ( -4.078 -1.437 -0.529) 4.356 13.021 ( 18.663 6.018 -0.538) 19.616 13.034 ( 18.690 6.857 -0.644) 19.918 15.214 ( 14.891 77.938 2.279) 79.381 15.370 ( 15.173 71.839 -1.989) 73.451 22.247 ( -26.533 -24.752 2.286) 36.358 22.454 ( -24.077 -23.880 -3.422) 34.083 23.281 ( 100.050 56.557 1.641) 114.941 23.378 ( 98.947 53.522 -1.058) 112.500 32.192 ( -25.504 -18.466 3.479) 31.679 32.252 ( -25.689 -15.149 1.824) 29.879 34.726 ( -25.253 -33.584 4.348) 42.244 35.019 ( -30.245 -37.363 -3.743) 48.216======================= Grid point 976 (123/192) =======================q-point: ( 0.33 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.190 ( 45.855 19.532 15.491) 52.193 10.130 ( 24.584 10.988 -11.915) 29.446 10.762 ( 0.479 19.278 3.371) 19.577 10.937 ( -1.619 7.879 -1.912) 8.268 11.253 ( 9.274 6.911 6.073) 13.063 11.547 ( 3.785 8.462 -2.344) 9.562 13.271 ( 10.173 -3.055 1.455) 10.722 13.392 ( 14.791 2.698 -2.071) 15.177 16.154 ( 4.217 74.723 1.541) 74.858 16.262 ( 4.367 70.614 -1.403) 70.763 21.485 ( -30.012 -25.744 3.334) 39.681 21.762 ( -25.466 -24.239 -4.247) 35.413 25.519 ( 97.293 45.118 1.298) 107.253 25.584 ( 97.597 43.660 -0.480) 106.919 31.600 ( -22.742 -14.587 4.130) 27.332 31.693 ( -23.161 -10.393 1.551) 25.433 33.822 ( -34.954 -42.238 2.973) 54.906 34.016 ( -37.771 -44.500 -2.329) 58.415======================= Grid point 977 (124/192) =======================q-point: ( 0.38 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.026 ( 30.946 9.606 7.729) 33.312 10.464 ( 7.100 3.138 -6.114) 9.881 10.855 ( -3.269 7.598 2.380) 8.607 10.915 ( -2.867 6.047 2.408) 7.112 11.716 ( 17.560 18.371 2.640) 25.550 11.878 ( 22.910 12.033 -1.519) 25.923 13.310 ( 1.371 -8.810 3.867) 9.719 13.598 ( 8.982 -2.564 -4.246) 10.261 16.834 ( -9.341 68.734 1.034) 69.374 16.914 ( -8.684 65.599 -1.096) 66.180 20.751 ( -25.363 -20.714 4.784) 33.094 21.138 ( -19.460 -19.263 -5.797) 27.989 27.553 ( 90.330 34.499 1.552) 96.707 27.620 ( 91.003 33.734 -0.279) 97.055 31.137 ( -16.119 -9.215 4.837) 19.186 31.263 ( -16.918 -4.748 1.311) 17.620 32.667 ( -44.426 -49.567 2.459) 66.607 32.826 ( -44.210 -49.590 -1.817) 66.460======================= Grid point 978 (125/192) =======================q-point: ( 0.43 0.10 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.426 ( 9.789 2.304 0.143) 10.058 10.518 ( -0.973 0.299 -2.567) 2.762 10.879 ( 0.456 2.032 4.173) 4.664 10.943 ( -5.272 11.202 1.537) 12.475 12.177 ( 17.240 9.505 3.938) 20.077 12.312 ( 12.537 -1.399 0.600) 12.629 13.185 ( -2.637 -8.406 5.854) 10.577 13.664 ( 4.271 -5.745 -7.035) 10.037 17.192 ( -24.662 60.810 0.756) 65.625 17.259 ( -23.388 58.047 -1.008) 62.590 20.274 ( -9.709 -9.463 6.106) 14.869 20.758 ( -5.934 -10.095 -7.101) 13.695 29.270 ( 67.308 18.726 2.139) 69.897 29.354 ( 71.758 20.075 -0.196) 74.513 30.878 ( -5.283 -4.576 5.123) 8.665 31.033 ( -5.640 -1.757 0.783) 5.959 31.352 ( -42.521 -47.630 3.003) 63.920 31.555 ( -40.891 -44.295 -2.188) 60.324======================= Grid point 993 (126/192) =======================q-point: ( 0.14 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.913 ( 22.266 38.567 36.191) 57.384 8.049 ( 10.742 18.605 -24.589) 32.652 9.446 ( 23.262 40.291 9.560) 47.496 10.123 ( 14.439 25.010 -9.588) 30.429 11.365 ( 20.299 35.159 2.764) 40.692 11.823 ( 13.229 22.913 -8.255) 27.716 12.166 ( -5.492 -9.513 9.423) 14.472 12.204 ( -4.516 -7.822 4.787) 10.223 13.219 ( 36.284 62.846 1.922) 72.594 13.379 ( 27.351 47.373 -1.443) 54.721 17.947 ( 60.250 104.356 2.142) 120.519 18.220 ( 57.119 98.933 -5.059) 114.350 23.469 ( -10.767 -18.649 2.875) 21.725 23.682 ( -11.607 -20.104 -2.915) 23.396 33.536 ( -14.737 -25.525 3.536) 29.685 33.571 ( -14.343 -24.843 2.548) 28.799 35.780 ( -8.193 -14.191 8.450) 18.436 36.410 ( -12.611 -21.844 -9.365) 26.905======================= Grid point 994 (127/192) =======================q-point: ( 0.19 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.749 ( 30.060 36.819 29.243) 55.807 8.511 ( 18.716 22.274 -20.714) 35.714 10.113 ( 13.468 31.884 7.805) 35.481 10.547 ( 8.738 21.239 -4.372) 23.379 11.683 ( -2.517 -2.929 1.704) 4.221 11.777 ( -10.502 -17.101 1.108) 20.099 12.314 ( 16.576 19.499 1.898) 25.663 12.407 ( 15.873 14.869 -2.311) 21.872 14.497 ( 28.873 78.064 1.054) 83.239 14.572 ( 34.088 72.267 -1.028) 79.910 20.085 ( 74.806 85.902 1.819) 113.922 20.257 ( 72.070 81.180 -2.818) 108.592 23.020 ( -16.496 -23.820 2.459) 29.079 23.208 ( -16.918 -24.647 -2.675) 30.014 32.990 ( -18.886 -24.462 3.771) 31.133 33.048 ( -18.415 -22.101 2.152) 28.848 35.389 ( -14.350 -24.941 6.633) 29.529 35.867 ( -19.281 -31.189 -6.642) 37.265======================= Grid point 995 (128/192) =======================q-point: ( 0.24 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.680 ( 36.841 31.763 23.588) 54.060 9.132 ( 25.906 22.785 -17.846) 38.843 10.599 ( 8.415 28.429 6.785) 30.415 10.856 ( 4.304 16.505 -1.295) 17.106 11.421 ( -10.203 -13.802 2.784) 17.388 11.593 ( -3.492 0.999 -1.967) 4.130 12.783 ( 15.631 7.771 -0.512) 17.464 12.804 ( 17.088 11.196 -0.721) 20.442 15.771 ( 20.728 86.961 1.096) 89.404 15.858 ( 22.409 83.114 -1.286) 86.092 22.228 ( 76.834 60.770 0.742) 97.964 22.310 ( 70.225 52.663 -1.437) 87.789 22.444 ( -5.868 -15.359 2.658) 16.655 22.617 ( -17.395 -25.175 -2.266) 30.684 32.403 ( -21.412 -21.861 4.489) 30.928 32.501 ( -21.085 -17.854 1.777) 27.686 34.776 ( -21.349 -35.662 4.778) 41.838 35.114 ( -26.096 -40.310 -4.537) 48.234======================= Grid point 996 (129/192) =======================q-point: ( 0.29 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.641 ( 40.630 23.914 18.660) 50.703 9.818 ( 26.929 18.754 -15.598) 36.335 10.954 ( 0.554 18.462 3.335) 18.769 11.015 ( 0.365 6.066 -0.532) 6.100 11.205 ( 0.526 0.377 7.706) 7.734 11.647 ( 0.104 15.377 -4.208) 15.943 13.042 ( 11.993 -2.434 1.292) 12.306 13.166 ( 14.537 4.485 -2.171) 15.367 16.912 ( 7.310 89.932 0.829) 90.232 16.980 ( 7.581 86.976 -1.008) 87.312 21.703 ( -26.338 -28.687 2.732) 39.040 21.924 ( -23.348 -28.022 -3.328) 36.626 24.338 ( 89.297 47.915 0.929) 101.344 24.378 ( 89.814 46.021 -0.174) 100.919 31.827 ( -21.344 -17.756 5.551) 28.314 31.974 ( -21.493 -12.540 1.469) 24.927 33.930 ( -29.004 -45.594 3.237) 54.134 34.155 ( -32.687 -48.701 -2.916) 58.726======================= Grid point 997 (130/192) =======================q-point: ( 0.33 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.528 ( 37.659 14.427 13.257) 42.451 10.349 ( 14.614 11.042 -11.031) 21.382 10.936 ( -4.408 -2.210 2.289) 5.437 11.039 ( -0.207 7.134 -0.688) 7.170 11.542 ( 16.440 17.923 6.759) 25.243 11.864 ( 3.143 20.649 -2.788) 21.072 13.150 ( 6.670 -8.422 3.077) 11.176 13.398 ( 10.845 -2.059 -3.870) 11.697 17.800 ( -8.532 88.125 0.455) 88.538 17.844 ( -8.382 85.646 -0.694) 86.058 20.967 ( -25.569 -25.194 3.816) 36.099 21.268 ( -20.478 -24.497 -4.428) 32.235 26.306 ( 90.300 33.205 1.174) 96.219 26.355 ( 90.929 33.191 -0.200) 96.798 31.328 ( -17.922 -12.578 6.619) 22.874 31.519 ( -18.950 -7.394 1.219) 20.378 32.854 ( -37.255 -53.934 2.433) 65.595 33.014 ( -38.162 -54.759 -1.868) 66.771======================= Grid point 998 (131/192) =======================q-point: ( 0.38 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.171 ( 23.250 4.837 6.030) 24.502 10.550 ( 1.258 5.591 -5.187) 7.730 10.883 ( -0.476 -0.093 4.744) 4.768 11.122 ( -1.019 9.709 -2.400) 10.053 11.950 ( 14.278 4.056 5.684) 15.894 12.173 ( 9.985 16.420 -1.361) 19.265 13.117 ( 0.680 -9.142 4.661) 10.284 13.507 ( 6.777 -6.222 -6.021) 10.995 18.364 ( -25.454 82.310 0.068) 86.156 18.389 ( -24.989 80.164 -0.530) 83.970 20.378 ( -16.337 -15.900 5.184) 23.379 20.774 ( -11.108 -16.721 -5.699) 20.868 28.126 ( 85.298 22.737 1.193) 88.285 28.171 ( 85.201 21.336 -0.079) 87.831 30.958 ( -12.684 -11.333 6.436) 18.186 31.145 ( -16.264 -13.973 0.495) 21.448 31.584 ( -42.098 -55.399 3.695) 69.677 31.797 ( -37.353 -45.852 -1.336) 59.156======================= Grid point 999 (132/192) =======================q-point: ( 0.43 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.396 ( 3.013 -5.219 1.056) 6.119 10.580 ( -2.758 4.776 -3.192) 6.372 10.890 ( 0.025 -0.044 6.719) 6.719 11.165 ( -5.250 9.093 -2.533) 10.801 12.098 ( 6.418 -11.116 7.236) 14.735 12.379 ( -2.810 4.866 -1.445) 5.802 13.057 ( 2.570 -4.451 5.360) 7.426 13.529 ( 4.341 -7.519 -7.362) 11.383 18.557 ( -42.529 73.662 -0.140) 85.058 18.575 ( -41.410 71.723 -0.485) 82.821 20.146 ( 1.883 -3.261 5.891) 6.992 20.587 ( 3.965 -6.867 -6.278) 10.114 29.336 ( 10.433 -18.071 2.400) 21.004 29.471 ( 11.150 -19.313 -1.193) 22.332 30.315 ( 18.111 -31.370 2.681) 36.322 30.535 ( 18.402 -31.873 -3.079) 36.933 30.959 ( -0.415 0.718 9.326) 9.363 31.286 ( -4.165 7.215 0.669) 8.358======================= Grid point 1016 (133/192) =======================q-point: ( 0.19 0.19 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.515 ( 22.629 39.195 24.476) 51.453 9.019 ( 16.197 28.054 -18.432) 37.271 10.676 ( 14.433 24.998 7.132) 29.733 10.903 ( 7.438 12.884 -0.278) 14.879 11.441 ( -8.789 -15.224 2.356) 17.736 11.635 ( 0.709 1.228 -2.998) 3.316 12.676 ( 6.507 11.271 -0.313) 13.019 12.705 ( 10.274 17.795 -0.786) 20.563 16.065 ( 44.329 76.780 0.329) 88.659 16.105 ( 44.807 77.607 -0.777) 89.617 21.810 ( 49.473 85.690 1.111) 98.952 21.888 ( 46.956 81.331 -1.016) 93.918 22.476 ( -17.380 -30.103 2.325) 34.838 22.654 ( -17.455 -30.232 -2.541) 35.002 32.481 ( -14.943 -25.883 4.951) 30.294 32.599 ( -12.979 -22.480 1.726) 26.015 34.778 ( -20.782 -35.996 4.952) 41.859 35.136 ( -24.068 -41.687 -4.890) 48.384======================= Grid point 1017 (134/192) =======================q-point: ( 0.24 0.19 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.310 ( 27.986 30.968 20.564) 46.531 9.615 ( 20.804 25.056 -17.171) 36.817 11.030 ( 0.234 1.681 1.198) 2.077 11.099 ( 2.552 11.162 0.467) 11.459 11.221 ( 1.196 4.349 10.123) 11.082 11.790 ( 4.586 17.688 -5.685) 19.137 12.851 ( 7.020 0.186 1.787) 7.246 13.009 ( 9.745 7.928 -2.532) 12.815 17.538 ( 28.674 87.575 0.344) 92.151 17.583 ( 28.672 86.560 -0.883) 91.189 21.819 ( -21.628 -31.445 2.455) 38.244 22.009 ( -20.429 -31.025 -2.718) 37.246 23.523 ( 61.681 60.213 0.563) 86.200 23.536 ( 62.694 59.448 0.223) 86.399 31.965 ( -16.691 -21.516 6.612) 28.023 32.155 ( -15.267 -16.461 1.361) 22.493 33.946 ( -27.024 -46.934 3.437) 54.267 34.197 ( -30.272 -50.848 -3.451) 59.277======================= Grid point 1018 (135/192) =======================q-point: ( 0.29 0.19 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.091 ( 31.111 21.165 16.856) 41.230 10.196 ( 18.830 18.713 -15.469) 30.726 10.981 ( -4.303 -4.042 1.468) 6.083 11.039 ( 1.266 -1.531 -1.002) 2.225 11.572 ( 7.856 24.003 10.393) 27.310 12.059 ( 1.225 22.461 -4.353) 22.911 12.935 ( 7.558 -7.742 3.237) 11.293 13.206 ( 8.834 -0.376 -4.162) 9.773 18.769 ( 7.168 93.759 0.045) 94.033 18.795 ( 6.683 92.212 -0.644) 92.456 21.122 ( -22.872 -28.458 3.107) 36.642 21.353 ( -19.701 -28.283 -3.241) 34.620 25.188 ( 74.446 37.502 1.188) 83.367 25.239 ( 74.866 39.461 -0.237) 84.629 31.486 ( -16.225 -16.094 8.332) 24.324 31.744 ( -16.424 -10.723 1.109) 19.646 32.903 ( -32.986 -56.397 2.406) 65.380 33.077 ( -34.971 -58.028 -2.270) 67.789======================= Grid point 1019 (136/192) =======================q-point: ( 0.33 0.19 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.781 ( 28.167 11.144 12.384) 32.726 10.571 ( 6.207 10.781 -9.702) 15.776 10.899 ( -1.873 -1.123 2.658) 3.440 11.111 ( 7.119 0.741 -5.022) 8.743 11.885 ( 3.799 14.272 9.699) 17.669 12.266 ( 0.570 17.907 -2.471) 18.086 12.974 ( 5.946 -7.543 3.678) 10.285 13.317 ( 7.619 -5.491 -5.469) 10.867 19.630 ( -16.053 91.095 -0.506) 92.500 19.644 ( -15.965 91.999 -0.679) 93.377 20.509 ( -18.485 -18.328 4.357) 26.393 20.802 ( -13.907 -20.812 -3.888) 25.332 26.858 ( 82.848 22.158 1.222) 85.769 26.915 ( 81.597 22.644 -0.386) 84.681 31.073 ( -15.597 -15.646 8.282) 23.594 31.301 ( -22.779 -23.563 0.547) 32.778 31.694 ( -36.641 -58.403 3.625) 69.041 31.922 ( -29.387 -44.339 -1.215) 53.207======================= Grid point 1020 (137/192) =======================q-point: ( 0.38 0.19 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.223 ( 13.569 0.550 6.936) 15.249 10.679 ( -1.657 6.691 -5.281) 8.683 10.891 ( 0.399 1.035 4.981) 5.104 11.225 ( 4.276 -1.229 -6.075) 7.530 11.967 ( -0.408 0.700 10.094) 10.127 12.453 ( 2.051 10.395 -4.268) 11.423 12.984 ( 1.812 -3.765 4.722) 6.305 13.369 ( 5.539 -6.991 -5.993) 10.746 19.968 ( -21.530 38.136 -0.062) 43.794 20.052 ( -34.590 77.744 -1.577) 85.106 20.244 ( -22.425 40.933 4.327) 46.873 20.500 ( -5.486 -4.331 -3.420) 7.781 28.472 ( 76.478 11.420 0.501) 77.328 28.481 ( 78.729 9.588 0.276) 79.311 30.143 ( -39.867 -65.188 1.127) 76.421 30.243 ( -33.735 -63.661 -1.517) 72.063 31.010 ( -6.744 -5.677 12.331) 15.158 31.452 ( -8.781 0.406 0.290) 8.795======================= Grid point 1038 (138/192) =======================q-point: ( 0.24 0.24 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.921 ( 17.200 29.791 18.095) 38.869 10.119 ( 14.123 24.462 -16.910) 32.921 11.004 ( -3.352 -5.806 0.921) 6.767 11.012 ( -1.031 -1.786 0.174) 2.070 11.639 ( 12.601 21.825 10.659) 27.363 12.186 ( 11.093 19.213 -5.622) 22.887 12.806 ( -2.199 -3.809 4.159) 6.053 13.121 ( 1.994 3.453 -4.493) 6.007 19.221 ( 45.241 78.360 -0.091) 90.483 19.246 ( 44.505 77.085 -0.823) 89.014 21.180 ( -18.089 -31.330 2.878) 36.292 21.383 ( -17.607 -30.496 -2.692) 35.316 24.682 ( 33.295 57.669 1.355) 66.604 24.743 ( 34.570 59.877 -0.353) 69.141 31.549 ( -11.352 -19.662 9.089) 24.456 31.840 ( -8.838 -15.308 1.042) 17.707 32.901 ( -32.790 -56.794 2.420) 65.624 33.086 ( -34.163 -59.173 -2.546) 68.374======================= Grid point 1039 (139/192) =======================q-point: ( 0.29 0.24 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.499 ( 20.362 19.624 15.491) 32.244 10.554 ( 10.592 16.235 -14.751) 24.359 10.918 ( -1.988 -2.186 1.264) 3.214 11.003 ( 2.785 -1.581 -1.366) 3.481 11.994 ( 4.245 15.912 9.973) 19.253 12.464 ( -1.634 16.506 -3.725) 16.999 12.777 ( 7.502 -5.941 4.270) 10.479 13.166 ( 3.711 -2.742 -5.566) 7.230 20.451 ( -3.752 19.160 -0.693) 19.536 20.552 ( 9.176 59.566 -3.110) 60.349 20.748 ( 2.834 44.095 3.527) 44.327 20.878 ( -7.168 3.792 -0.359) 8.117 25.880 ( 53.473 32.514 1.603) 62.603 25.964 ( 52.900 33.571 -0.757) 62.658 31.163 ( -14.029 -19.072 9.872) 25.652 31.433 ( -23.373 -32.095 0.504) 39.707 31.707 ( -33.681 -59.284 3.333) 68.265 31.950 ( -24.458 -41.880 -1.403) 48.519======================= Grid point 1040 (140/192) =======================q-point: ( 0.33 0.24 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.990 ( 17.312 10.080 11.913) 23.307 10.759 ( 0.579 6.585 -8.473) 10.746 10.893 ( 0.300 0.683 2.618) 2.723 11.076 ( 6.310 -3.949 -3.263) 8.127 12.070 ( -4.597 4.908 6.641) 9.451 12.546 ( -2.039 8.594 -4.851) 10.077 12.896 ( 6.656 0.137 4.060) 7.798 13.215 ( 5.155 -3.529 -3.950) 7.391 20.114 ( -10.145 -12.998 2.667) 16.703 20.365 ( -6.866 -16.431 -4.245) 18.307 21.533 ( -17.978 89.873 0.976) 91.659 21.568 ( -17.425 91.456 0.002) 93.101 27.207 ( 72.468 12.911 1.152) 73.618 27.271 ( 70.117 13.037 -0.641) 71.321 30.191 ( -40.727 -66.537 0.791) 78.016 30.244 ( -40.536 -68.130 -0.687) 79.280 31.059 ( -7.254 -9.195 14.095) 18.326 31.575 ( -6.679 -3.145 0.013) 7.383======================= Grid point 1041 (141/192) =======================q-point: ( 0.38 0.24 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.213 ( 0.502 -0.869 8.961) 9.017 10.783 ( -1.254 2.172 -6.184) 6.674 10.918 ( -0.705 1.221 3.885) 4.133 11.091 ( 4.796 -8.306 -0.404) 9.600 12.047 ( -3.772 6.534 3.662) 8.387 12.563 ( -0.479 0.829 -8.792) 8.844 12.964 ( -0.719 1.246 5.819) 5.994 13.246 ( 2.807 -4.862 -2.554) 6.168 19.955 ( 1.934 -3.349 2.938) 4.857 20.217 ( 5.191 -8.991 -4.250) 11.219 21.829 ( -47.292 81.913 1.044) 94.590 21.879 ( -48.043 83.213 -0.344) 96.087 28.375 ( 19.273 -33.382 1.101) 38.562 28.449 ( 19.612 -33.969 -0.878) 39.233 28.960 ( 16.606 -28.763 1.823) 33.263 29.100 ( 18.971 -32.858 -1.984) 37.993 30.958 ( 0.570 -0.987 15.134) 15.177 31.506 ( -1.919 3.324 0.116) 3.840======================= Grid point 1061 (142/192) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.882 ( 10.605 18.369 13.580) 25.185 10.784 ( 2.053 3.556 -11.103) 11.838 10.897 ( 0.729 1.262 1.790) 2.308 10.995 ( 0.746 1.292 -0.709) 1.652 12.143 ( 0.414 0.717 4.923) 4.992 12.653 ( -0.605 -1.047 -8.490) 8.575 12.793 ( 5.481 9.493 7.471) 13.266 13.149 ( 0.932 1.615 -2.892) 3.441 20.141 ( -9.073 -15.715 2.076) 18.264 20.336 ( -10.375 -17.969 -3.286) 21.008 22.234 ( 38.816 67.232 0.761) 77.636 22.269 ( 39.800 68.935 -0.163) 79.599 26.550 ( 20.859 36.130 1.483) 41.745 26.637 ( 20.372 35.285 -0.950) 40.755 30.212 ( -38.991 -67.534 0.795) 77.985 30.257 ( -40.328 -69.850 -0.520) 80.658 31.076 ( -6.090 -10.548 14.688) 19.082 31.617 ( -3.138 -5.436 -0.084) 6.277======================= Grid point 1062 (143/192) =======================q-point: ( 0.33 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.204 ( 6.743 11.696 10.287) 16.973 10.725 ( -0.353 -10.001 -2.245) 10.256 10.934 ( 0.233 1.709 2.423) 2.974 11.028 ( 0.270 1.056 0.016) 1.090 12.167 ( -0.813 6.431 -3.034) 7.157 12.540 ( -2.668 -7.753 -10.998) 13.718 12.992 ( 3.611 7.848 6.534) 10.831 13.182 ( 1.135 -0.970 1.084) 1.845 19.930 ( -3.129 -4.909 1.534) 6.020 20.076 ( -1.557 -11.444 -2.482) 11.814 23.205 ( -11.210 71.488 1.051) 72.370 23.273 ( -10.832 73.168 -0.794) 73.970 27.385 ( 48.861 4.949 0.915) 49.119 27.441 ( 47.832 3.705 -0.625) 47.980 28.869 ( -35.625 -58.870 0.381) 68.811 28.903 ( -32.950 -59.878 -0.527) 68.348 30.949 ( -1.624 -3.085 16.667) 17.028 31.557 ( -1.557 0.121 -0.055) 1.562======================= Grid point 1083 (144/192) =======================q-point: ( 0.33 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.465 ( -6.963 -12.060 6.002) 15.164 10.465 ( 6.963 12.060 6.002) 15.164 10.948 ( -0.000 -0.000 2.654) 2.654 11.053 ( -0.000 -0.000 -0.316) 0.316 12.341 ( -5.170 -8.955 -9.954) 14.353 12.341 ( 5.170 8.955 -9.954) 14.353 13.129 ( -2.430 -4.209 4.722) 6.776 13.129 ( 2.430 4.209 4.722) 6.776 19.920 ( -1.919 -3.324 -0.436) 3.863 19.920 ( 1.919 3.324 -0.436) 3.863 24.037 ( 0.000 0.000 1.265) 1.265 24.130 ( -0.000 -0.000 -1.257) 1.257 27.428 ( -0.912 -1.579 0.242) 1.840 27.428 ( 0.912 1.579 0.242) 1.839 28.199 ( -0.456 -0.789 -0.150) 0.924 28.199 ( 0.456 0.789 -0.150) 0.924 30.919 ( -0.000 -0.000 17.546) 17.546 31.560 ( -0.000 -0.000 -0.117) 0.117======================= Grid point 1389 (145/192) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.073 ( -0.000 0.000 45.900) 45.900 3.073 ( -0.000 0.000 45.900) 45.900 3.966 ( 0.000 0.000 -40.412) 40.412 3.966 ( 0.000 0.000 -40.412) 40.412 5.405 ( 0.000 -0.000 78.208) 78.208 6.892 ( 0.000 0.000 -65.436) 65.436 10.077 ( 0.000 -0.000 15.894) 15.894 10.077 ( 0.000 0.000 15.894) 15.894 10.388 ( -0.000 0.000 -13.969) 13.969 10.388 ( 0.000 0.000 -13.969) 13.969 15.498 ( 0.000 -0.000 5.851) 5.851 15.607 ( 0.000 -0.000 -4.609) 4.609 24.566 ( 0.000 -0.000 0.615) 0.615 24.582 ( 0.000 0.000 -0.869) 0.869 35.404 ( -0.000 0.000 4.572) 4.572 35.404 ( 0.000 0.000 4.572) 4.572 35.449 ( 0.000 -0.000 0.270) 0.270 35.449 ( -0.000 0.000 0.270) 0.270======================= Grid point 1390 (146/192) =======================q-point: ( 0.05 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.685 ( 47.777 27.584 38.576) 67.318 4.345 ( 79.741 46.039 37.380) 99.375 4.465 ( 40.152 23.182 -36.481) 58.996 5.085 ( 79.777 46.059 -34.594) 98.400 5.580 ( 24.238 13.994 71.081) 76.392 6.967 ( 9.808 5.663 -61.699) 62.730 10.138 ( 5.303 3.062 16.169) 17.290 10.297 ( 19.000 10.970 17.169) 27.859 10.453 ( 5.605 3.236 -14.051) 15.470 10.638 ( 21.422 12.368 -15.638) 29.264 15.201 ( -23.569 -13.608 12.597) 29.990 15.406 ( -16.510 -9.532 -7.709) 20.564 24.492 ( -5.552 -3.205 2.853) 7.017 24.540 ( -3.376 -1.949 -1.931) 4.350 35.327 ( -6.607 -3.815 4.344) 8.779 35.369 ( -6.877 -3.971 0.349) 7.949 35.591 ( 11.249 6.494 3.797) 13.532 35.660 ( 19.319 11.154 -3.677) 22.609======================= Grid point 1391 (147/192) =======================q-point: ( 0.10 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.034 ( 64.436 37.202 28.907) 79.822 5.263 ( 13.434 7.756 63.523) 65.390 5.650 ( 58.568 33.814 -30.277) 74.096 6.441 ( 20.921 12.079 -50.678) 56.141 7.325 ( 103.899 59.986 28.519) 123.316 7.982 ( 84.800 48.959 -33.911) 103.624 10.327 ( 11.113 6.416 16.965) 21.271 10.651 ( 11.636 6.718 -14.270) 19.600 10.982 ( 41.705 24.078 20.722) 52.426 11.389 ( 44.375 25.620 -18.457) 54.462 14.535 ( -31.129 -17.972 22.782) 42.556 14.909 ( -24.382 -14.077 -14.169) 31.518 24.347 ( -6.604 -3.813 5.161) 9.208 24.436 ( -5.475 -3.161 -3.612) 7.281 35.099 ( -13.009 -7.511 3.716) 15.475 35.132 ( -13.484 -7.785 0.563) 15.580 35.900 ( 13.850 7.996 9.937) 18.828 36.140 ( 19.289 11.137 -14.245) 26.439======================= Grid point 1392 (148/192) =======================q-point: ( 0.14 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.564 ( 15.101 8.718 59.170) 61.686 6.538 ( 63.389 36.598 22.971) 76.716 6.699 ( 9.055 5.228 -50.253) 51.329 7.047 ( 59.750 34.497 -26.066) 73.753 9.510 ( 78.000 45.034 15.875) 91.455 9.884 ( 66.995 38.680 -19.749) 79.841 10.667 ( 18.682 10.786 17.979) 28.082 11.002 ( 18.940 10.935 -14.416) 26.194 12.296 ( 65.957 38.080 21.133) 79.038 12.715 ( 61.555 35.539 -19.126) 73.606 13.935 ( -9.077 -5.240 29.201) 31.025 14.449 ( -5.973 -3.449 -20.784) 21.898 24.184 ( -7.822 -4.516 5.291) 10.468 24.284 ( -7.916 -4.570 -4.342) 10.119 34.728 ( -18.941 -10.936 2.832) 22.054 34.749 ( -19.503 -11.260 0.852) 22.536 36.171 ( 8.577 4.952 13.165) 16.474 36.477 ( 9.113 5.262 -16.802) 19.825======================= Grid point 1393 (149/192) =======================q-point: ( 0.19 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.012 ( 24.073 13.898 49.955) 57.168 6.980 ( 16.166 9.333 -43.033) 46.907 7.898 ( 52.737 30.448 18.932) 63.770 8.328 ( 49.057 28.323 -22.556) 60.972 10.916 ( 46.714 26.970 6.777) 54.364 11.080 ( 40.649 23.469 -8.719) 47.741 11.222 ( 29.907 17.267 17.741) 38.824 11.547 ( 28.454 16.428 -13.747) 35.615 12.913 ( -21.362 -12.333 7.722) 25.847 12.952 ( -11.604 -6.699 3.014) 13.733 15.389 ( 107.571 62.106 6.542) 124.384 15.578 ( 99.391 57.384 -11.060) 115.299 23.963 ( -11.671 -6.738 4.537) 14.219 24.054 ( -12.211 -7.050 -4.201) 14.713 34.228 ( -24.030 -13.874 1.899) 27.813 34.236 ( -24.535 -14.165 1.131) 28.353 36.269 ( -0.471 -0.272 12.879) 12.890 36.553 ( -2.508 -1.448 -14.530) 14.816======================= Grid point 1394 (150/192) =======================q-point: ( 0.24 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.689 ( 34.341 19.827 40.156) 56.435 7.473 ( 26.619 15.368 -35.000) 46.581 8.946 ( 37.536 21.671 14.685) 45.763 9.275 ( 32.713 18.887 -17.020) 41.431 11.788 ( 27.489 15.871 4.204) 32.019 11.877 ( 27.578 15.922 -4.114) 32.109 12.061 ( 41.888 24.184 14.096) 50.380 12.324 ( 38.261 22.090 -11.299) 45.602 12.438 ( -14.969 -8.642 5.197) 18.049 12.504 ( -19.588 -11.309 -1.200) 22.651 18.056 ( 118.122 68.198 4.332) 136.464 18.164 ( 116.420 67.215 -5.991) 134.564 23.625 ( -17.809 -10.282 3.761) 20.905 23.703 ( -18.305 -10.569 -3.741) 21.466 33.622 ( -28.072 -16.207 1.382) 32.444 33.626 ( -27.782 -16.040 1.057) 32.097 36.139 ( -10.882 -6.282 10.672) 16.486 36.365 ( -13.631 -7.870 -10.996) 19.200======================= Grid point 1395 (151/192) =======================q-point: ( 0.29 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.592 ( 43.049 24.855 31.490) 58.844 8.210 ( 36.582 21.121 -27.717) 50.523 9.656 ( 24.539 14.168 10.302) 30.150 9.879 ( 20.504 11.838 -11.067) 26.135 11.843 ( -13.318 -7.689 4.901) 16.140 11.913 ( -17.575 -10.147 -1.682) 20.364 12.605 ( 23.455 13.542 1.026) 27.102 12.638 ( 22.282 12.865 -1.969) 25.805 13.101 ( 46.275 26.717 9.141) 54.210 13.278 ( 42.850 24.739 -7.850) 50.098 20.764 ( 114.410 66.055 3.197) 132.148 20.840 ( 113.149 65.327 -4.022) 130.715 23.132 ( -24.601 -14.203 3.363) 28.605 23.203 ( -24.708 -14.265 -3.411) 28.733 32.949 ( -29.626 -17.104 1.438) 34.239 32.958 ( -29.470 -17.014 0.575) 34.033 35.761 ( -21.797 -12.584 7.928) 26.388 35.924 ( -24.368 -14.069 -7.671) 29.165======================= Grid point 1396 (152/192) =======================q-point: ( 0.33 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.649 ( 47.111 27.199 24.494) 59.659 9.134 ( 41.929 24.208 -21.928) 53.150 10.119 ( 16.027 9.253 6.986) 19.781 10.266 ( 13.503 7.796 -7.105) 17.134 11.545 ( -12.314 -7.110 2.265) 14.399 11.566 ( -9.287 -5.362 0.266) 10.727 13.109 ( 18.972 10.954 -0.021) 21.907 13.116 ( 17.877 10.321 -0.667) 20.653 14.143 ( 42.611 24.601 5.659) 49.527 14.255 ( 40.427 23.341 -5.058) 46.955 22.446 ( -28.284 -16.330 3.318) 32.828 22.522 ( -27.205 -15.707 -4.006) 31.668 23.375 ( 104.031 60.063 2.395) 120.149 23.422 ( 103.387 59.691 -2.171) 119.401 32.270 ( -28.497 -16.453 1.420) 32.936 32.281 ( -28.470 -16.437 0.382) 32.876 35.127 ( -32.927 -19.010 5.444) 38.408 35.237 ( -34.914 -20.158 -5.028) 40.628======================= Grid point 1397 (153/192) =======================q-point: ( 0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.693 ( 40.139 23.174 17.891) 49.682 10.050 ( 33.243 19.193 -16.394) 41.740 10.421 ( 10.309 5.952 4.903) 12.874 10.523 ( 8.887 5.131 -4.898) 11.371 11.398 ( 2.018 1.165 5.412) 5.892 11.484 ( 4.281 2.471 -2.944) 5.753 13.440 ( 9.746 5.627 1.292) 11.327 13.469 ( 11.784 6.803 -1.605) 13.701 15.038 ( 33.917 19.582 3.706) 39.338 15.112 ( 32.774 18.922 -3.381) 37.995 21.698 ( -33.438 -19.305 4.748) 38.902 21.803 ( -31.830 -18.377 -5.264) 37.129 25.738 ( 97.595 56.347 1.739) 112.707 25.771 ( 97.231 56.136 -1.403) 112.281 31.653 ( -24.216 -13.981 1.469) 28.001 31.665 ( -24.108 -13.919 0.320) 27.840 34.235 ( -44.013 -25.411 3.676) 50.954 34.308 ( -45.140 -26.062 -3.291) 52.227======================= Grid point 1398 (154/192) =======================q-point: ( 0.43 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.350 ( 15.208 8.780 8.096) 19.337 10.501 ( 6.903 3.986 -6.513) 10.294 10.606 ( 5.854 3.380 3.725) 7.718 10.685 ( 5.139 2.967 -3.763) 7.026 11.733 ( 25.358 14.640 7.494) 30.225 11.870 ( 27.040 15.611 -5.639) 31.728 13.553 ( -0.092 -0.053 4.399) 4.400 13.646 ( 3.300 1.905 -4.483) 5.883 15.689 ( 21.857 12.619 2.782) 25.391 15.746 ( 21.410 12.361 -2.609) 24.860 20.968 ( -27.932 -16.126 6.802) 32.962 21.116 ( -25.900 -14.954 -7.396) 30.808 27.872 ( 86.127 49.726 1.816) 99.468 27.903 ( 86.213 49.775 -1.127) 99.556 31.174 ( -16.501 -9.527 1.710) 19.131 31.190 ( -16.296 -9.408 0.182) 18.818 33.095 ( -54.069 -31.217 2.904) 62.501 33.153 ( -54.196 -31.290 -2.678) 62.637======================= Grid point 1399 (155/192) =======================q-point: ( 0.48 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.517 ( 2.311 1.334 2.154) 3.429 10.554 ( 0.123 0.071 -1.434) 1.441 10.696 ( 1.906 1.101 3.195) 3.879 10.763 ( 1.689 0.975 -3.284) 3.819 12.327 ( 19.175 11.071 6.910) 23.195 12.443 ( 16.206 9.356 -4.187) 19.176 13.462 ( -5.518 -3.186 8.403) 10.545 13.641 ( -2.236 -1.291 -8.621) 8.999 16.033 ( 7.561 4.365 2.466) 9.072 16.084 ( 7.466 4.310 -2.380) 8.943 20.491 ( -11.364 -6.561 8.659) 15.722 20.679 ( -10.312 -5.954 -9.276) 15.094 29.658 ( 62.218 35.922 2.301) 71.880 29.692 ( 62.664 36.179 -0.970) 72.364 30.910 ( -5.885 -3.398 1.946) 7.069 30.930 ( -5.785 -3.340 0.045) 6.680 31.798 ( -52.409 -30.258 3.167) 60.600 31.867 ( -51.022 -29.458 -3.477) 59.018======================= Grid point 1411 (156/192) =======================q-point: ( 0.05 0.05 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.682 ( 37.630 65.177 30.048) 81.036 5.100 ( 15.211 26.345 41.480) 51.439 5.380 ( 29.292 50.736 -10.406) 59.502 6.242 ( 24.108 41.756 -43.890) 65.201 6.678 ( 56.448 97.771 32.903) 117.593 7.480 ( 35.859 62.110 -42.235) 83.231 10.279 ( 6.415 11.112 16.700) 21.060 10.582 ( 6.855 11.874 -9.407) 16.627 10.753 ( 19.164 33.193 14.614) 41.019 11.120 ( 20.832 36.082 -17.587) 45.223 14.727 ( -17.764 -30.768 20.437) 40.987 15.058 ( -13.601 -23.557 -12.354) 29.875 24.387 ( -3.762 -6.516 4.784) 8.916 24.468 ( -2.873 -4.976 -3.226) 6.589 35.177 ( -6.452 -11.175 3.919) 13.486 35.212 ( -6.693 -11.593 0.500) 13.396 35.812 ( 8.042 13.929 8.440) 18.164 36.013 ( 11.962 20.718 -12.162) 26.837======================= Grid point 1412 (157/192) =======================q-point: ( 0.10 0.05 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.429 ( 10.818 10.504 60.454) 62.306 6.087 ( 45.571 60.471 19.582) 78.211 6.615 ( 25.015 38.140 -34.972) 57.476 6.677 ( 27.034 35.371 -36.988) 57.879 8.749 ( 68.660 72.266 17.527) 101.211 9.177 ( 62.691 61.068 -23.120) 90.521 10.599 ( 12.016 22.282 17.175) 30.592 10.903 ( 12.795 19.275 -11.542) 25.854 11.741 ( 46.762 52.261 19.180) 72.703 12.141 ( 48.214 49.846 -18.690) 71.823 14.091 ( -19.667 -23.038 27.229) 40.730 14.559 ( -14.984 -17.753 -18.513) 29.706 24.245 ( -5.391 -6.241 5.417) 9.867 24.344 ( -5.205 -6.025 -4.209) 9.006 34.881 ( -12.832 -14.181 3.196) 19.390 34.907 ( -13.238 -14.593 0.731) 19.716 36.084 ( 8.412 9.038 12.498) 17.568 36.380 ( 9.972 10.906 -16.738) 22.328======================= Grid point 1413 (158/192) =======================q-point: ( 0.14 0.05 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.791 ( 17.504 14.543 53.424) 58.069 6.813 ( 13.045 8.657 -44.181) 46.873 7.551 ( 39.805 58.778 18.088) 73.256 7.983 ( 39.723 54.987 -22.876) 71.587 10.272 ( 49.937 28.659 10.898) 58.599 10.526 ( 44.887 25.828 -13.206) 53.444 11.170 ( 17.786 39.147 14.206) 45.284 11.425 ( 18.288 30.790 -10.125) 37.215 12.940 ( 15.964 14.067 10.626) 23.784 13.066 ( -6.785 -7.945 0.946) 10.491 14.411 ( 73.052 60.717 12.959) 95.870 14.749 ( 53.367 44.264 -17.565) 71.525 24.061 ( -8.168 -7.911 4.869) 12.370 24.156 ( -8.535 -8.263 -4.325) 12.642 34.451 ( -18.750 -16.555 2.347) 25.123 34.465 ( -19.236 -16.829 0.977) 25.578 36.244 ( 3.126 1.406 13.360) 13.792 36.544 ( 1.999 0.478 -15.790) 15.923======================= Grid point 1414 (159/192) =======================q-point: ( 0.19 0.05 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.350 ( 27.148 19.902 44.062) 55.449 7.206 ( 20.543 13.767 -38.056) 45.385 8.695 ( 30.110 45.443 15.809) 56.759 9.053 ( 27.154 40.641 -18.696) 52.332 11.260 ( 41.727 16.352 8.430) 45.602 11.430 ( 37.236 16.633 -8.001) 41.560 11.935 ( 20.720 42.522 10.453) 48.442 12.133 ( 22.185 36.637 -8.397) 43.645 12.629 ( -17.498 -13.165 8.497) 23.488 12.738 ( -17.866 -10.533 -2.312) 20.868 16.810 ( 106.691 77.495 4.913) 131.957 16.939 ( 104.214 75.547 -7.347) 128.926 23.783 ( -13.105 -11.443 4.058) 17.864 23.867 ( -13.595 -11.871 -3.939) 18.474 33.905 ( -23.765 -18.124 1.591) 29.930 33.910 ( -24.156 -18.126 1.142) 30.222 36.204 ( -4.893 -6.889 11.782) 14.499 36.457 ( -7.241 -8.696 -12.593) 16.931======================= Grid point 1415 (160/192) =======================q-point: ( 0.24 0.05 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.133 ( 37.151 24.086 35.023) 56.453 7.818 ( 30.853 18.968 -30.631) 47.434 9.506 ( 19.395 31.840 11.567) 39.035 9.758 ( 16.156 27.293 -12.606) 34.130 11.894 ( 4.835 -3.496 6.430) 8.772 12.010 ( 0.744 -6.068 -4.316) 7.483 12.305 ( 14.323 4.162 3.631) 15.351 12.358 ( 15.031 5.152 -1.649) 15.975 12.924 ( 24.104 51.969 7.050) 57.719 13.070 ( 26.083 48.607 -6.836) 55.585 19.476 ( 111.385 72.001 3.646) 132.680 19.563 ( 110.175 70.831 -4.683) 131.062 23.364 ( -19.514 -15.892 3.450) 25.402 23.436 ( -19.800 -16.160 -3.502) 25.796 33.272 ( -27.452 -18.467 1.369) 33.114 33.277 ( -27.224 -18.440 0.899) 32.894 35.929 ( -14.123 -15.127 9.182) 22.641 36.120 ( -16.664 -16.927 -9.150) 25.454======================= Grid point 1416 (161/192) =======================q-point: ( 0.29 0.05 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.102 ( 44.829 25.472 27.383) 58.381 8.641 ( 39.525 21.411 -24.197) 51.050 10.047 ( 11.890 23.610 7.874) 27.583 10.212 ( 9.637 20.483 -7.971) 23.999 11.661 ( -10.554 -9.799 2.128) 14.558 11.678 ( -12.987 -11.883 0.500) 17.610 12.834 ( 24.128 10.339 0.798) 26.262 12.859 ( 22.614 9.713 -1.565) 24.661 13.944 ( 27.752 55.061 5.621) 61.915 14.056 ( 27.173 51.717 -5.090) 58.642 22.064 ( 104.815 61.391 2.365) 121.494 22.121 ( 103.692 60.237 -3.129) 119.959 22.801 ( -21.519 -17.521 3.419) 27.960 22.870 ( -21.900 -17.841 -3.235) 28.432 32.600 ( -28.512 -17.430 1.409) 33.447 32.609 ( -28.349 -17.392 0.591) 33.264 35.406 ( -23.985 -23.119 6.528) 33.947 35.539 ( -26.182 -24.593 -6.192) 36.451======================= Grid point 1417 (162/192) =======================q-point: ( 0.33 0.05 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.150 ( 46.069 21.992 20.756) 55.107 9.559 ( 40.643 17.543 -18.425) 47.948 10.421 ( 6.511 19.937 5.057) 21.574 10.529 ( 5.196 17.741 -5.272) 19.224 11.408 ( -5.124 -5.702 4.213) 8.747 11.471 ( -2.855 -3.421 -1.897) 4.843 13.267 ( 15.673 4.823 0.258) 16.400 13.277 ( 17.168 5.909 -0.716) 18.171 14.922 ( 21.639 52.018 3.722) 56.462 14.996 ( 21.122 49.974 -3.416) 54.361 22.048 ( -30.589 -22.374 3.937) 38.102 22.136 ( -29.363 -21.815 -4.417) 36.845 24.543 ( 102.955 54.832 1.818) 116.661 24.578 ( 102.494 54.148 -1.605) 115.929 31.953 ( -26.561 -14.958 1.575) 30.524 31.966 ( -26.498 -14.528 0.370) 30.222 34.630 ( -34.205 -30.747 4.379) 46.201 34.718 ( -35.723 -31.768 -3.995) 47.972======================= Grid point 1418 (163/192) =======================q-point: ( 0.38 0.05 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.026 ( 31.637 10.695 12.144) 35.535 10.253 ( 22.838 4.544 -9.594) 25.184 10.664 ( 0.891 14.541 3.406) 14.961 10.743 ( 0.295 13.273 -3.964) 13.855 11.494 ( 15.546 9.529 5.613) 19.079 11.594 ( 17.284 8.974 -3.993) 19.880 13.485 ( 6.981 -1.097 2.768) 7.589 13.544 ( 9.537 0.713 -2.925) 10.001 15.705 ( 10.985 46.310 2.609) 47.666 15.758 ( 10.877 45.046 -2.452) 46.406 21.288 ( -29.910 -21.204 5.634) 37.094 21.411 ( -27.912 -20.318 -6.157) 35.069 26.774 ( 94.820 46.357 1.600) 105.557 26.802 ( 94.910 46.137 -1.114) 105.535 31.403 ( -21.112 -10.707 1.950) 23.753 31.423 ( -21.136 -9.892 0.094) 23.337 33.602 ( -44.345 -37.749 3.114) 58.320 33.664 ( -44.902 -38.185 -2.795) 59.009======================= Grid point 1419 (164/192) =======================q-point: ( 0.43 0.05 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.419 ( 9.726 1.063 3.416) 10.363 10.486 ( 5.871 -1.681 -3.101) 6.849 10.767 ( -1.947 9.685 2.998) 10.323 10.819 ( -1.895 7.440 -1.948) 7.921 12.037 ( 26.543 14.283 6.842) 30.909 12.160 ( 26.813 11.942 -4.887) 29.756 13.485 ( -2.024 -6.358 6.425) 9.263 13.621 ( 1.675 -4.118 -6.559) 7.923 16.211 ( -2.483 38.788 2.115) 38.925 16.254 ( -2.237 37.890 -2.070) 38.013 20.660 ( -19.456 -14.014 7.727) 25.192 20.828 ( -17.554 -13.349 -8.301) 23.564 28.744 ( 82.276 36.569 1.855) 90.055 28.774 ( 82.489 36.430 -1.005) 90.181 31.031 ( -12.095 -4.569 2.398) 13.149 31.059 ( -12.240 -3.489 -0.217) 12.729 32.350 ( -51.796 -42.691 2.911) 67.185 32.410 ( -51.356 -42.434 -2.801) 66.678======================= Grid point 1420 (165/192) =======================q-point: ( 0.48 0.05 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.496 ( 1.101 -1.908 0.802) 2.344 10.515 ( 1.613 -2.794 -1.044) 3.390 10.800 ( -4.379 7.585 2.475) 9.101 10.842 ( -3.171 5.493 -1.510) 6.520 12.420 ( 1.494 -2.587 4.877) 5.719 12.494 ( 2.588 -4.483 -2.151) 5.606 13.390 ( 1.906 -3.302 9.199) 9.958 13.587 ( 2.064 -3.575 -9.567) 10.420 16.385 ( -17.447 30.219 1.991) 34.950 16.427 ( -17.007 29.458 -1.993) 34.073 20.408 ( 0.942 -1.632 8.794) 8.994 20.598 ( 1.172 -2.030 -9.362) 9.651 29.986 ( 5.677 -9.832 2.998) 11.743 30.034 ( 5.468 -9.471 -1.569) 11.049 30.927 ( -2.499 4.328 2.933) 5.794 30.960 ( -3.083 5.341 -0.271) 6.173 31.299 ( 6.379 -11.048 3.519) 13.234 31.381 ( 6.687 -11.582 -4.350) 14.064======================= Grid point 1434 (166/192) =======================q-point: ( 0.10 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.709 ( 10.336 17.902 54.334) 58.134 6.737 ( 7.698 13.333 -43.254) 45.912 7.543 ( 37.483 64.923 15.709) 76.595 7.940 ( 37.007 64.099 -21.140) 76.975 9.951 ( 27.238 47.177 10.886) 55.552 10.226 ( 25.363 43.929 -15.275) 52.975 11.245 ( 23.116 40.038 11.748) 47.701 11.423 ( 18.252 31.613 -5.018) 36.846 12.835 ( 20.800 36.026 11.965) 43.286 13.048 ( 4.994 8.649 -5.775) 11.537 14.096 ( 32.569 56.412 19.929) 68.119 14.534 ( 20.137 34.879 -20.368) 45.132 24.092 ( -5.374 -9.309 4.982) 11.847 24.189 ( -5.595 -9.690 -4.352) 12.006 34.533 ( -11.770 -20.386 2.563) 23.679 34.551 ( -11.996 -20.778 0.889) 24.008 36.219 ( 2.027 3.511 13.468) 14.065 36.524 ( 1.533 2.656 -16.216) 16.503======================= Grid point 1435 (167/192) =======================q-point: ( 0.14 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.162 ( 18.630 22.533 46.076) 54.569 7.053 ( 13.599 15.577 -39.472) 44.560 8.734 ( 27.384 55.073 15.311) 63.382 9.080 ( 25.549 50.116 -17.971) 59.053 10.820 ( 32.368 29.842 10.203) 45.192 11.048 ( 29.645 28.277 -11.701) 42.607 12.057 ( 17.104 43.409 6.032) 47.045 12.141 ( 22.713 37.785 -1.928) 44.128 12.751 ( -12.908 -16.094 10.236) 23.031 12.887 ( -9.480 -8.080 -3.481) 12.933 16.019 ( 79.021 92.989 5.630) 122.160 16.172 ( 75.581 88.915 -8.818) 117.031 23.856 ( -9.418 -12.761 4.236) 16.416 23.943 ( -9.814 -13.295 -4.046) 17.013 34.068 ( -17.379 -21.457 2.000) 27.684 34.079 ( -17.636 -21.511 0.962) 27.833 36.200 ( -3.074 -6.273 12.388) 14.221 36.469 ( -4.759 -8.340 -13.564) 16.619======================= Grid point 1436 (168/192) =======================q-point: ( 0.19 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.812 ( 28.015 26.041 37.539) 53.592 7.544 ( 22.563 20.015 -32.699) 44.485 9.580 ( 15.942 40.212 11.587) 44.781 9.828 ( 13.493 34.634 -12.233) 39.131 11.635 ( 26.795 17.828 6.744) 32.883 11.787 ( 23.865 15.877 -7.585) 29.650 12.264 ( -7.361 -9.336 3.721) 12.458 12.289 ( -5.582 -9.120 1.383) 10.782 13.129 ( 20.788 59.672 4.166) 63.327 13.217 ( 21.376 56.300 -4.110) 60.361 18.437 ( 94.275 83.559 3.927) 126.037 18.532 ( 92.961 81.924 -5.134) 124.014 23.495 ( -14.966 -17.424 3.563) 23.244 23.570 ( -15.307 -17.846 -3.591) 23.784 33.508 ( -22.104 -21.321 1.689) 30.757 33.516 ( -22.289 -20.934 0.880) 30.591 35.975 ( -10.070 -16.227 10.104) 21.606 36.188 ( -12.251 -18.369 -10.337) 24.380======================= Grid point 1437 (169/192) =======================q-point: ( 0.24 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.646 ( 36.827 26.810 29.942) 54.512 8.233 ( 31.740 22.334 -26.372) 46.922 10.146 ( 9.468 30.831 8.114) 33.257 10.310 ( 7.715 26.910 -7.616) 29.011 11.721 ( -8.268 -10.873 2.850) 13.954 11.757 ( -11.187 -14.473 -0.444) 18.298 12.529 ( 23.345 13.774 1.419) 27.143 12.567 ( 22.366 12.181 -2.178) 25.561 14.188 ( 21.523 73.046 3.761) 76.244 14.265 ( 22.293 69.957 -3.518) 73.507 20.906 ( 99.937 69.878 2.655) 121.974 20.967 ( 99.033 68.440 -3.175) 120.422 22.984 ( -20.908 -21.976 3.227) 30.504 23.052 ( -20.926 -22.147 -3.296) 30.648 32.886 ( -25.185 -19.818 1.764) 32.096 32.898 ( -25.258 -19.037 0.594) 31.634 35.520 ( -18.097 -25.859 7.494) 32.440 35.674 ( -20.254 -27.651 -7.333) 35.051======================= Grid point 1438 (170/192) =======================q-point: ( 0.29 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.598 ( 42.310 23.767 23.466) 53.904 9.061 ( 37.280 20.455 -20.941) 47.400 10.557 ( 5.281 26.054 5.360) 27.119 10.660 ( 4.021 22.683 -4.545) 23.481 11.447 ( -7.880 -9.492 3.426) 12.803 11.502 ( -5.719 -5.784 -1.794) 8.330 13.014 ( 18.978 6.559 -0.025) 20.080 13.021 ( 18.777 6.631 -0.575) 19.922 15.267 ( 15.048 75.720 2.737) 77.250 15.322 ( 15.150 73.551 -2.602) 75.140 22.304 ( -25.402 -24.056 3.274) 35.138 22.378 ( -24.469 -23.700 -3.763) 34.273 23.317 ( 99.404 55.425 1.767) 113.826 23.351 ( 99.046 54.374 -1.526) 113.000 32.254 ( -25.754 -16.893 2.183) 30.877 32.275 ( -25.820 -15.717 0.174) 30.228 34.825 ( -26.763 -34.902 5.137) 44.281 34.930 ( -28.529 -36.239 -4.862) 46.377======================= Grid point 1439 (171/192) =======================q-point: ( 0.33 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.529 ( 39.152 16.193 16.710) 45.545 9.856 ( 31.660 12.930 -14.721) 37.233 10.826 ( -0.593 16.905 2.988) 17.177 10.886 ( -0.463 13.459 -2.819) 13.759 11.379 ( 6.573 5.793 5.796) 10.506 11.482 ( 4.870 6.848 -4.053) 9.329 13.305 ( 11.879 -1.146 1.868) 12.080 13.347 ( 13.492 0.907 -2.178) 13.697 16.190 ( 4.285 73.229 1.886) 73.379 16.229 ( 4.340 71.768 -1.823) 71.922 21.567 ( -28.643 -25.181 4.516) 38.404 21.665 ( -27.018 -24.643 -4.919) 36.898 25.546 ( 97.534 44.755 1.277) 107.320 25.569 ( 97.643 44.239 -0.924) 107.201 31.676 ( -23.066 -12.520 2.828) 26.396 31.708 ( -23.214 -11.039 -0.305) 25.706 33.890 ( -35.813 -43.045 3.450) 56.101 33.959 ( -36.808 -43.847 -3.153) 57.335======================= Grid point 1440 (172/192) =======================q-point: ( 0.38 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.188 ( 21.703 6.542 7.631) 23.918 10.334 ( 13.315 4.308 -6.615) 15.479 10.905 ( -2.330 7.933 2.220) 8.561 10.935 ( -2.520 6.842 -0.415) 7.303 11.776 ( 19.846 16.674 3.091) 26.104 11.836 ( 22.028 14.217 -2.555) 26.341 13.400 ( 3.849 -7.017 4.767) 9.316 13.502 ( 6.582 -4.757 -4.964) 9.517 16.859 ( -9.150 67.577 1.348) 68.207 16.888 ( -8.912 66.467 -1.375) 67.076 20.867 ( -23.562 -20.125 6.374) 31.636 21.006 ( -21.447 -19.613 -6.822) 29.853 27.584 ( 90.765 34.251 1.406) 97.023 27.608 ( 91.003 33.975 -0.859) 97.142 31.226 ( -16.656 -7.030 3.489) 18.412 31.271 ( -16.934 -5.480 -0.772) 17.815 32.724 ( -44.395 -49.503 2.871) 66.556 32.781 ( -44.307 -49.474 -2.555) 66.463======================= Grid point 1441 (173/192) =======================q-point: ( 0.43 0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.440 ( 5.514 0.830 1.150) 5.694 10.472 ( 1.963 0.612 -1.928) 2.818 10.944 ( -1.600 5.820 2.039) 6.371 10.963 ( -3.731 8.403 0.151) 9.195 12.256 ( 16.904 6.456 3.396) 18.411 12.306 ( 15.278 2.314 -1.337) 15.510 13.329 ( -0.760 -8.148 7.961) 11.417 13.501 ( 1.921 -7.068 -8.491) 11.213 17.211 ( -24.235 59.793 1.101) 64.527 17.235 ( -23.781 58.819 -1.210) 63.456 20.422 ( -8.575 -9.487 8.024) 15.097 20.594 ( -7.216 -9.730 -8.464) 14.778 29.312 ( 69.201 19.026 1.860) 71.793 29.342 ( 70.799 19.532 -1.027) 73.451 30.973 ( -5.958 -4.540 3.829) 8.412 31.028 ( -5.783 -3.539 -1.441) 6.932 31.425 ( -42.396 -44.998 3.834) 61.943 31.499 ( -41.718 -43.405 -3.208) 60.288======================= Grid point 1456 (174/192) =======================q-point: ( 0.14 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.697 ( 17.751 30.746 38.486) 52.360 7.447 ( 13.753 23.821 -33.486) 43.334 9.663 ( 21.509 37.254 11.313) 44.480 9.901 ( 18.533 32.099 -11.554) 38.824 11.472 ( 18.035 31.238 7.165) 36.775 11.642 ( 15.911 27.558 -8.955) 33.057 12.289 ( -6.936 -12.014 2.820) 14.156 12.295 ( -7.734 -13.396 2.815) 15.723 13.271 ( 33.539 58.091 3.065) 67.148 13.335 ( 29.868 51.733 -2.819) 59.802 18.011 ( 59.904 103.757 4.061) 119.877 18.110 ( 58.720 101.706 -5.348) 117.562 23.537 ( -11.110 -19.243 3.612) 22.512 23.613 ( -11.404 -19.752 -3.627) 23.094 33.596 ( -14.701 -25.462 1.957) 29.466 33.608 ( -14.561 -25.220 0.747) 29.131 35.977 ( -9.348 -16.191 10.459) 21.423 36.199 ( -10.834 -18.766 -10.814) 24.217======================= Grid point 1457 (175/192) =======================q-point: ( 0.19 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.388 ( 25.701 31.189 31.596) 51.299 8.008 ( 21.725 26.037 -27.803) 43.851 10.278 ( 12.227 29.868 7.966) 33.243 10.432 ( 10.505 26.047 -6.735) 28.882 11.734 ( -4.282 -7.634 2.783) 9.185 11.779 ( -7.918 -13.626 -1.187) 15.805 12.343 ( 14.747 16.406 1.063) 22.085 12.367 ( 15.489 15.386 -1.490) 21.883 14.521 ( 30.525 75.922 1.305) 81.839 14.548 ( 32.368 73.835 -1.277) 80.629 20.133 ( 74.200 84.947 2.717) 112.823 20.194 ( 73.208 83.238 -3.159) 110.896 23.079 ( -16.641 -24.116 3.176) 29.472 23.146 ( -16.793 -24.410 -3.270) 29.808 33.056 ( -18.794 -23.525 2.310) 30.199 33.076 ( -18.628 -22.684 0.323) 29.354 35.544 ( -15.802 -26.877 8.113) 32.216 35.713 ( -17.524 -29.049 -8.104) 34.879======================= Grid point 1458 (176/192) =======================q-point: ( 0.24 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.199 ( 32.625 28.075 25.797) 50.181 8.708 ( 28.723 24.797 -23.079) 44.413 10.725 ( 6.925 26.412 5.240) 27.803 10.811 ( 5.228 21.653 -3.132) 22.494 11.484 ( -8.012 -11.014 3.189) 13.989 11.545 ( -5.421 -5.371 -2.653) 8.080 12.778 ( 16.224 9.169 0.107) 18.636 12.787 ( 16.641 10.214 -0.754) 19.541 15.798 ( 21.356 85.525 1.454) 88.163 15.829 ( 21.960 84.156 -1.532) 86.988 22.249 ( 74.202 58.391 1.283) 94.430 22.278 ( 72.815 56.305 -1.539) 92.057 22.502 ( -9.499 -18.819 2.983) 21.291 22.563 ( -13.557 -22.235 -2.865) 26.199 32.484 ( -21.349 -20.033 3.058) 29.435 32.519 ( -21.237 -18.605 -0.271) 28.235 34.887 ( -22.785 -37.258 5.808) 44.057 35.007 ( -24.467 -38.895 -5.696) 46.302======================= Grid point 1459 (177/192) =======================q-point: ( 0.29 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.053 ( 35.771 21.565 20.588) 46.567 9.463 ( 30.869 19.637 -18.827) 41.145 10.992 ( -1.218 11.149 0.932) 11.254 11.005 ( -0.768 7.723 -0.472) 7.775 11.380 ( 2.032 8.623 8.483) 12.265 11.537 ( 1.248 12.890 -6.539) 14.507 13.075 ( 12.933 -0.124 1.877) 13.069 13.119 ( 13.789 2.339 -2.314) 14.176 16.932 ( 7.483 88.836 1.125) 89.157 16.956 ( 7.583 87.782 -1.203) 88.117 21.770 ( -25.450 -28.335 3.642) 38.260 21.849 ( -24.387 -28.097 -3.904) 37.409 24.357 ( 89.522 47.424 0.847) 101.311 24.371 ( 89.706 46.750 -0.525) 101.158 31.930 ( -21.478 -15.222 4.053) 26.635 31.982 ( -21.541 -13.374 -0.931) 25.372 34.005 ( -30.073 -46.710 3.895) 55.690 34.085 ( -31.381 -47.808 -3.745) 57.310======================= Grid point 1460 (178/192) =======================q-point: ( 0.33 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.818 ( 30.333 12.967 14.369) 35.982 10.102 ( 22.214 11.908 -12.996) 28.358 10.979 ( -2.312 -0.115 1.946) 3.024 11.016 ( -0.533 2.457 -1.527) 2.941 11.678 ( 10.745 20.373 6.182) 23.848 11.789 ( 6.223 20.855 -4.500) 22.224 13.224 ( 8.080 -6.627 4.012) 11.194 13.311 ( 9.544 -4.310 -4.393) 11.356 17.812 ( -8.464 87.166 0.697) 87.579 17.828 ( -8.404 86.291 -0.803) 86.703 21.059 ( -24.031 -24.785 4.985) 34.881 21.166 ( -22.216 -24.547 -5.255) 33.522 26.329 ( 90.567 33.205 1.048) 96.468 26.347 ( 90.791 33.190 -0.636) 96.669 31.452 ( -18.520 -9.946 4.962) 21.599 31.519 ( -18.912 -8.175 -1.494) 20.657 32.910 ( -37.370 -54.147 2.877) 65.854 32.967 ( -37.658 -54.383 -2.597) 66.200======================= Grid point 1461 (179/192) =======================q-point: ( 0.38 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.303 ( 14.200 4.877 6.513) 16.366 10.433 ( 6.664 5.493 -6.099) 10.573 10.981 ( 1.454 1.690 4.551) 5.068 11.063 ( 1.152 4.763 -3.411) 5.971 12.057 ( 12.687 9.836 4.520) 16.678 12.132 ( 11.355 13.981 -2.721) 18.216 13.232 ( 2.474 -8.725 6.321) 11.054 13.370 ( 4.701 -7.617 -6.953) 11.334 18.368 ( -25.296 81.385 0.353) 85.227 18.378 ( -25.126 80.653 -0.553) 84.478 20.501 ( -14.759 -15.839 6.618) 22.638 20.642 ( -12.887 -16.172 -6.850) 21.784 28.149 ( 85.424 22.168 1.004) 88.260 28.165 ( 85.400 21.664 -0.538) 88.106 31.073 ( -15.587 -13.693 4.422) 21.213 31.135 ( -16.982 -15.247 -1.612) 22.879 31.671 ( -39.247 -49.692 4.466) 63.479 31.752 ( -37.377 -45.656 -3.126) 59.087======================= Grid point 1462 (180/192) =======================q-point: ( 0.43 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.438 ( 0.660 -1.143 2.886) 3.173 10.507 ( -1.328 2.300 -3.664) 4.526 11.016 ( -0.799 1.384 5.287) 5.523 11.105 ( -2.606 4.514 -3.487) 6.271 12.236 ( 3.172 -5.493 5.855) 8.632 12.331 ( -0.065 0.113 -3.351) 3.353 13.192 ( 3.084 -5.341 7.622) 9.805 13.361 ( 3.809 -6.597 -8.561) 11.459 18.558 ( -42.029 72.796 0.204) 84.058 18.565 ( -41.656 72.151 -0.469) 83.314 20.285 ( 2.340 -4.054 7.410) 8.765 20.442 ( 3.118 -5.400 -7.593) 9.825 29.389 ( 10.830 -18.757 2.551) 21.809 29.437 ( 11.084 -19.198 -2.054) 22.263 30.381 ( 18.250 -31.609 3.637) 36.680 30.460 ( 18.417 -31.900 -3.932) 37.044 31.145 ( -2.415 4.182 7.910) 9.268 31.263 ( -3.685 6.383 -3.321) 8.084======================= Grid point 1479 (181/192) =======================q-point: ( 0.19 0.19 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.053 ( 20.027 34.688 26.724) 48.151 8.580 ( 17.713 30.680 -23.900) 42.735 10.805 ( 13.084 22.663 5.061) 26.654 10.879 ( 10.160 17.598 -2.250) 20.445 11.499 ( -6.816 -11.806 3.213) 14.006 11.569 ( -2.988 -5.175 -3.393) 6.872 12.675 ( 7.871 13.633 0.251) 15.744 12.687 ( 9.115 15.788 -0.850) 18.250 16.074 ( 44.425 76.947 0.596) 88.852 16.089 ( 44.600 77.249 -0.788) 89.202 21.836 ( 48.827 84.570 1.362) 97.663 21.864 ( 47.932 83.021 -1.323) 95.874 22.531 ( -17.369 -30.084 3.004) 34.867 22.595 ( -17.402 -30.141 -3.100) 34.942 32.572 ( -14.068 -24.367 3.477) 28.351 32.614 ( -13.368 -23.154 -0.506) 26.741 34.894 ( -21.862 -37.866 6.099) 44.147 35.021 ( -23.020 -39.872 -6.067) 46.438======================= Grid point 1480 (182/192) =======================q-point: ( 0.24 0.19 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.765 ( 25.099 28.235 22.792) 44.121 9.220 ( 22.497 26.057 -20.957) 40.303 11.057 ( -0.520 1.593 1.361) 2.159 11.084 ( -0.836 2.743 -1.212) 3.113 11.446 ( 5.036 14.006 10.659) 18.307 11.644 ( 5.085 16.368 -8.423) 19.098 12.895 ( 7.903 2.891 2.504) 8.780 12.951 ( 8.854 5.620 -2.889) 10.877 17.548 ( 28.729 87.145 0.651) 91.760 17.564 ( 28.731 86.775 -0.888) 91.412 21.878 ( -21.281 -31.176 3.179) 37.880 21.946 ( -20.861 -31.027 -3.294) 37.532 23.534 ( 62.090 60.120 0.379) 86.427 23.538 ( 62.441 59.822 -0.044) 86.473 32.090 ( -16.012 -19.085 5.015) 25.412 32.158 ( -15.515 -17.286 -1.466) 23.274 34.027 ( -28.029 -48.298 4.290) 56.007 34.116 ( -29.184 -49.676 -4.293) 57.775======================= Grid point 1481 (183/192) =======================q-point: ( 0.29 0.19 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.467 ( 27.005 19.796 18.984) 38.491 9.851 ( 22.742 18.992 -17.934) 34.634 11.004 ( -2.832 -3.344 0.919) 4.477 11.021 ( -1.005 -2.444 -0.787) 2.757 11.777 ( 6.158 23.703 9.192) 26.158 11.943 ( 3.672 23.093 -6.877) 24.374 13.015 ( 7.747 -5.510 4.418) 10.483 13.112 ( 8.212 -2.801 -4.847) 9.938 18.773 ( 7.061 93.009 0.310) 93.277 18.782 ( 6.908 92.453 -0.575) 92.712 21.195 ( -21.904 -28.103 3.905) 35.844 21.277 ( -20.784 -28.059 -3.964) 35.143 25.212 ( 74.565 38.155 1.059) 83.767 25.230 ( 74.713 38.843 -0.657) 84.209 31.645 ( -16.273 -13.321 6.462) 22.000 31.736 ( -16.408 -11.479 -2.269) 20.153 32.960 ( -33.418 -56.946 3.013) 66.096 33.023 ( -34.097 -57.458 -2.939) 66.878======================= Grid point 1482 (184/192) =======================q-point: ( 0.33 0.19 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.057 ( 21.489 10.943 13.903) 27.835 10.336 ( 13.932 11.207 -12.804) 21.992 10.958 ( 0.631 -1.019 3.097) 3.321 11.026 ( 3.677 -0.498 -3.520) 5.115 12.063 ( 2.639 15.608 7.513) 17.522 12.191 ( 1.463 17.169 -4.886) 17.911 13.070 ( 6.460 -7.291 5.510) 11.191 13.194 ( 6.970 -6.389 -6.268) 11.344 19.624 ( -15.943 90.290 0.033) 91.687 19.631 ( -15.914 90.786 -0.534) 92.172 20.607 ( -17.126 -17.939 5.046) 25.310 20.711 ( -15.514 -19.050 -4.864) 25.045 26.883 ( 82.425 22.211 1.127) 85.372 26.903 ( 81.979 22.378 -0.782) 84.982 31.219 ( -19.890 -19.904 5.386) 28.649 31.291 ( -22.822 -23.790 -1.784) 33.015 31.785 ( -32.361 -51.007 4.860) 60.602 31.875 ( -29.357 -44.845 -3.454) 53.711======================= Grid point 1483 (185/192) =======================q-point: ( 0.38 0.19 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.380 ( 7.221 2.783 8.095) 11.199 10.544 ( 1.858 5.158 -7.564) 9.341 11.000 ( 2.982 0.411 5.437) 6.214 11.110 ( 4.215 -0.306 -5.308) 6.785 12.168 ( 0.720 1.705 9.192) 9.377 12.336 ( 1.415 5.650 -7.043) 9.139 13.098 ( 3.046 -3.694 6.242) 7.867 13.234 ( 4.244 -5.051 -6.786) 9.464 19.981 ( -26.285 53.568 1.269) 59.683 20.015 ( -30.756 67.072 -1.850) 73.811 20.334 ( -16.463 23.745 4.359) 29.221 20.422 ( -10.633 8.268 -4.104) 14.080 28.481 ( 77.271 10.670 0.299) 78.005 28.484 ( 78.289 10.088 0.021) 78.936 30.171 ( -38.332 -64.945 1.601) 75.430 30.207 ( -36.131 -64.410 -1.819) 73.874 31.253 ( -7.500 -2.317 10.375) 13.010 31.411 ( -8.226 -0.178 -4.711) 9.481======================= Grid point 1501 (186/192) =======================q-point: ( 0.24 0.24 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.325 ( 15.800 27.366 20.519) 37.677 9.742 ( 14.716 25.489 -19.540) 35.328 11.014 ( -2.702 -4.681 0.200) 5.409 11.015 ( -1.798 -3.113 0.090) 3.596 11.856 ( 12.194 21.120 10.086) 26.391 12.044 ( 11.560 20.023 -8.095) 24.497 12.904 ( -0.785 -1.360 5.261) 5.490 13.016 ( 0.719 1.245 -5.450) 5.636 19.222 ( 44.858 77.696 0.217) 89.715 19.231 ( 44.578 77.211 -0.620) 89.158 21.247 ( -17.749 -30.742 3.491) 35.669 21.319 ( -17.594 -30.474 -3.410) 35.353 24.710 ( 33.712 58.391 1.240) 67.435 24.731 ( 34.162 59.171 -0.816) 68.329 31.724 ( -10.037 -17.384 7.176) 21.318 31.827 ( -9.179 -15.899 -2.668) 18.551 32.959 ( -33.221 -57.540 3.159) 66.516 33.026 ( -33.670 -58.317 -3.209) 67.416======================= Grid point 1502 (187/192) =======================q-point: ( 0.29 0.24 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.849 ( 17.465 18.224 17.971) 30.985 10.218 ( 14.336 17.215 -17.478) 28.414 10.947 ( -0.887 -1.917 1.495) 2.588 10.976 ( 0.540 -1.493 -1.322) 2.066 12.191 ( 3.008 14.876 8.879) 17.584 12.353 ( 1.375 15.520 -6.813) 17.005 12.894 ( 5.116 -4.443 6.628) 9.478 13.036 ( 4.126 -3.132 -6.895) 8.624 20.455 ( 0.625 32.053 1.041) 32.076 20.492 ( 4.712 44.509 -2.506) 44.828 20.814 ( -0.586 31.268 2.757) 31.395 20.859 ( -3.630 18.847 -1.574) 19.258 25.914 ( 53.206 32.759 1.594) 62.503 25.944 ( 53.002 33.133 -1.242) 62.518 31.336 ( -18.801 -25.498 6.331) 32.306 31.420 ( -22.994 -31.853 -2.078) 39.340 31.797 ( -28.567 -50.379 5.164) 58.144 31.896 ( -24.411 -42.396 -3.939) 49.080======================= Grid point 1503 (188/192) =======================q-point: ( 0.33 0.24 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.259 ( 12.287 9.206 13.741) 20.604 10.536 ( 6.508 8.031 -12.669) 16.351 10.953 ( 2.350 0.644 3.028) 3.886 11.014 ( 4.463 -0.433 -2.880) 5.329 12.229 ( -4.622 0.649 8.530) 9.724 12.405 ( -3.792 2.566 -8.168) 9.363 13.003 ( 6.616 1.867 5.778) 8.980 13.119 ( 5.713 0.290 -5.287) 7.790 20.182 ( -9.136 -13.503 3.908) 16.765 20.271 ( -7.974 -14.663 -4.598) 17.313 21.552 ( -17.746 89.761 0.819) 91.502 21.565 ( -17.576 90.327 -0.397) 92.022 27.232 ( 71.651 12.820 1.178) 72.798 27.254 ( 70.819 12.873 -0.970) 71.986 30.209 ( -41.073 -67.471 0.894) 78.995 30.227 ( -40.926 -67.956 -0.900) 79.333 31.338 ( -6.651 -5.733 11.963) 14.840 31.522 ( -6.501 -3.666 -5.641) 9.356======================= Grid point 1504 (189/192) =======================q-point: ( 0.38 0.24 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.416 ( -0.561 0.971 10.326) 10.387 10.622 ( -1.199 2.077 -9.274) 9.579 10.999 ( 0.333 -0.577 3.701) 3.761 11.063 ( 1.955 -3.386 -2.332) 4.553 12.173 ( 0.058 -0.100 8.210) 8.211 12.365 ( 0.936 -1.622 -9.989) 10.163 13.081 ( -0.655 1.135 5.335) 5.494 13.178 ( 0.548 -0.949 -4.035) 4.181 20.029 ( 2.810 -4.868 4.160) 6.993 20.122 ( 3.960 -6.859 -4.739) 9.229 21.851 ( -47.351 82.015 1.000) 94.708 21.869 ( -47.634 82.505 -0.694) 95.271 28.400 ( 19.406 -33.612 1.316) 38.834 28.427 ( 19.532 -33.830 -1.227) 39.083 29.004 ( 17.339 -30.032 2.346) 34.757 29.054 ( 18.185 -31.498 -2.438) 36.452 31.256 ( -0.686 1.188 12.721) 12.795 31.451 ( -1.561 2.704 -5.935) 6.706======================= Grid point 1524 (190/192) =======================q-point: ( 0.29 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 814Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.190 ( 8.805 15.251 15.813) 23.668 10.511 ( 6.242 10.811 -14.915) 19.450 10.937 ( 0.683 1.184 1.962) 2.391 10.973 ( 0.765 1.324 -1.425) 2.090 12.282 ( -2.489 -4.311 8.201) 9.594 12.466 ( -2.452 -4.247 -9.342) 10.551 12.942 ( 5.038 8.727 6.819) 12.167 13.066 ( 3.411 5.907 -5.097) 8.515 20.194 ( -9.354 -16.202 3.056) 18.956 20.264 ( -9.812 -16.994 -3.591) 19.949 22.250 ( 38.986 67.526 0.732) 77.976 22.263 ( 39.329 68.120 -0.469) 78.659 26.582 ( 20.626 35.726 1.579) 41.282 26.613 ( 20.457 35.432 -1.360) 40.936 30.228 ( -39.723 -68.803 0.774) 79.450 30.244 ( -40.141 -69.526 -0.712) 80.284 31.367 ( -4.328 -7.496 12.515) 15.217 31.560 ( -3.344 -5.791 -5.967) 8.962======================= Grid point 1525 (191/192) =======================q-point: ( 0.33 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 1544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.429 ( 3.994 7.732 10.866) 13.922 10.625 ( 1.320 0.360 -7.573) 7.696 10.983 ( 1.620 1.780 2.185) 3.251 11.018 ( 1.697 1.013 -1.112) 2.268 12.178 ( -2.082 -2.831 4.182) 5.462 12.324 ( -2.732 -7.803 -9.418) 12.532 13.108 ( 2.578 6.273 4.521) 8.150 13.174 ( 1.720 3.179 -1.857) 4.064 19.969 ( -2.635 -6.935 2.284) 7.762 20.021 ( -2.076 -9.264 -2.705) 9.871 23.229 ( -11.065 71.872 1.215) 72.728 23.253 ( -10.932 72.472 -1.101) 73.300 27.406 ( 48.493 4.543 1.010) 48.716 27.425 ( 48.140 4.109 -0.887) 48.323 28.879 ( -34.808 -59.203 0.535) 68.679 28.891 ( -33.853 -59.569 -0.606) 68.519 31.277 ( -1.554 -1.416 14.022) 14.179 31.493 ( -1.529 -0.291 -6.652) 6.832======================= Grid point 1546 (192/192) =======================q-point: ( 0.33 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.565 ( -2.749 -4.762 2.948) 6.239 10.565 ( 2.749 4.762 2.948) 6.239 11.001 ( -0.000 -0.000 2.309) 2.309 11.038 ( -0.000 -0.000 -1.265) 1.265 12.188 ( -2.131 -3.692 -4.202) 5.986 12.188 ( 2.131 3.692 -4.202) 5.986 13.194 ( -0.849 -1.471 1.587) 2.325 13.194 ( 0.849 1.471 1.587) 2.325 19.913 ( -0.684 -1.185 -0.194) 1.382 19.913 ( 0.684 1.185 -0.194) 1.382 24.067 ( 0.000 0.000 1.581) 1.581 24.100 ( -0.000 -0.000 -1.578) 1.578 27.432 ( -0.326 -0.565 0.108) 0.661 27.432 ( 0.326 0.565 0.108) 0.661 28.197 ( -0.162 -0.280 -0.067) 0.330 28.197 ( 0.162 0.280 -0.067) 0.330 31.264 ( -0.000 -0.000 14.752) 14.752 31.492 ( -0.000 -0.000 -7.032) 7.032=================== 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 3/55566 10.0 1792.176 1792.176 486.837 -0.000 -0.000 -0.000 3/55566 20.0 1310.854 1310.854 577.225 -0.000 -0.000 -0.000 3/55566 30.0 1791.354 1791.354 781.882 -0.000 -0.000 -0.000 3/55566 40.0 1949.338 1949.338 728.259 -0.000 -0.000 -0.000 3/55566 50.0 1500.464 1500.464 560.035 -0.000 -0.000 -0.000 3/55566 60.0 1016.726 1016.726 394.861 -0.000 -0.000 -0.000 3/55566 70.0 705.218 705.218 277.965 -0.000 -0.000 -0.000 3/55566 80.0 518.011 518.011 204.022 -0.000 -0.000 -0.000 3/55566 90.0 403.750 403.750 157.530 -0.000 -0.000 -0.000 3/55566 100.0 330.782 330.782 127.123 -0.000 -0.000 -0.000 3/55566 110.0 281.626 281.626 106.189 -0.000 -0.000 -0.000 3/55566 120.0 246.827 246.827 91.052 -0.000 -0.000 -0.000 3/55566 130.0 221.143 221.143 79.639 -0.000 -0.000 -0.000 3/55566 140.0 201.536 201.536 70.735 -0.000 -0.000 -0.000 3/55566 150.0 186.154 186.154 63.595 -0.000 -0.000 -0.000 3/55566 160.0 173.813 173.813 57.742 -0.000 -0.000 -0.000 3/55566 170.0 163.720 163.720 52.858 -0.000 -0.000 -0.000 3/55566 180.0 155.327 155.327 48.723 -0.000 -0.000 -0.000 3/55566 190.0 148.241 148.241 45.177 -0.000 -0.000 -0.000 3/55566 200.0 142.176 142.176 42.105 -0.000 -0.000 -0.000 3/55566 210.0 136.917 136.917 39.420 -0.000 -0.000 -0.000 3/55566 220.0 132.303 132.303 37.053 -0.000 -0.000 -0.000 3/55566 230.0 128.208 128.208 34.953 -0.000 -0.000 -0.000 3/55566 240.0 124.537 124.537 33.078 -0.000 -0.000 -0.000 3/55566 250.0 121.215 121.215 31.395 -0.000 -0.000 -0.000 3/55566 260.0 118.181 118.181 29.875 -0.000 -0.000 -0.000 3/55566 270.0 115.390 115.390 28.497 -0.000 -0.000 -0.000 3/55566 280.0 112.803 112.803 27.243 -0.000 -0.000 -0.000 3/55566 290.0 110.390 110.390 26.096 -0.000 -0.000 -0.000 3/55566 300.0 108.127 108.127 25.043 -0.000 -0.000 -0.000 3/55566 310.0 105.993 105.993 24.075 -0.000 -0.000 -0.000 3/55566 320.0 103.973 103.973 23.180 -0.000 -0.000 -0.000 3/55566 330.0 102.052 102.052 22.351 -0.000 -0.000 -0.000 3/55566 340.0 100.221 100.221 21.582 -0.000 -0.000 -0.000 3/55566 350.0 98.469 98.469 20.865 -0.000 -0.000 -0.000 3/55566 360.0 96.788 96.788 20.196 -0.000 -0.000 -0.000 3/55566 370.0 95.173 95.173 19.571 -0.000 -0.000 -0.000 3/55566 380.0 93.617 93.617 18.984 -0.000 -0.000 -0.000 3/55566 390.0 92.116 92.116 18.433 -0.000 -0.000 -0.000 3/55566 400.0 90.666 90.666 17.915 -0.000 -0.000 -0.000 3/55566 410.0 89.262 89.262 17.426 -0.000 -0.000 -0.000 3/55566 420.0 87.903 87.903 16.964 -0.000 -0.000 -0.000 3/55566 430.0 86.585 86.585 16.528 -0.000 -0.000 -0.000 3/55566 440.0 85.305 85.305 16.114 -0.000 -0.000 -0.000 3/55566 450.0 84.063 84.063 15.721 -0.000 -0.000 -0.000 3/55566 460.0 82.855 82.855 15.348 -0.000 -0.000 -0.000 3/55566 470.0 81.680 81.680 14.993 -0.000 -0.000 -0.000 3/55566 480.0 80.536 80.536 14.655 -0.000 -0.000 -0.000 3/55566 490.0 79.423 79.423 14.332 -0.000 -0.000 -0.000 3/55566 500.0 78.338 78.338 14.024 -0.000 -0.000 -0.000 3/55566 510.0 77.280 77.280 13.730 -0.000 -0.000 -0.000 3/55566 520.0 76.250 76.250 13.448 -0.000 -0.000 -0.000 3/55566 530.0 75.244 75.244 13.178 -0.000 -0.000 -0.000 3/55566 540.0 74.263 74.263 12.920 -0.000 -0.000 -0.000 3/55566 550.0 73.305 73.305 12.671 -0.000 -0.000 -0.000 3/55566 560.0 72.370 72.370 12.433 -0.000 -0.000 -0.000 3/55566 570.0 71.456 71.456 12.203 -0.000 -0.000 -0.000 3/55566 580.0 70.564 70.564 11.983 -0.000 -0.000 -0.000 3/55566 590.0 69.692 69.692 11.770 -0.000 -0.000 -0.000 3/55566 600.0 68.840 68.840 11.565 -0.000 -0.000 -0.000 3/55566 610.0 68.007 68.007 11.368 -0.000 -0.000 -0.000 3/55566 620.0 67.192 67.192 11.177 -0.000 -0.000 -0.000 3/55566 630.0 66.396 66.396 10.993 -0.000 -0.000 -0.000 3/55566 640.0 65.616 65.616 10.815 -0.000 -0.000 -0.000 3/55566 650.0 64.853 64.853 10.643 -0.000 -0.000 -0.000 3/55566 660.0 64.107 64.107 10.477 -0.000 -0.000 -0.000 3/55566 670.0 63.376 63.376 10.316 -0.000 -0.000 -0.000 3/55566 680.0 62.661 62.661 10.160 -0.000 -0.000 -0.000 3/55566 690.0 61.960 61.960 10.009 -0.000 -0.000 -0.000 3/55566 700.0 61.274 61.274 9.862 -0.000 -0.000 -0.000 3/55566 710.0 60.602 60.602 9.720 -0.000 -0.000 -0.000 3/55566 720.0 59.944 59.944 9.582 -0.000 -0.000 -0.000 3/55566 730.0 59.299 59.299 9.448 -0.000 -0.000 -0.000 3/55566 740.0 58.666 58.666 9.318 -0.000 -0.000 -0.000 3/55566 750.0 58.046 58.046 9.191 -0.000 -0.000 -0.000 3/55566 760.0 57.439 57.439 9.068 -0.000 -0.000 -0.000 3/55566 770.0 56.843 56.843 8.948 -0.000 -0.000 -0.000 3/55566 780.0 56.258 56.258 8.832 -0.000 -0.000 -0.000 3/55566 790.0 55.685 55.685 8.718 -0.000 -0.000 -0.000 3/55566 800.0 55.123 55.123 8.608 -0.000 -0.000 -0.000 3/55566 810.0 54.571 54.571 8.500 -0.000 -0.000 -0.000 3/55566 820.0 54.030 54.030 8.395 -0.000 -0.000 -0.000 3/55566 830.0 53.498 53.498 8.293 -0.000 -0.000 -0.000 3/55566 840.0 52.977 52.977 8.193 -0.000 -0.000 -0.000 3/55566 850.0 52.465 52.465 8.096 -0.000 -0.000 -0.000 3/55566 860.0 51.962 51.962 8.001 -0.000 -0.000 -0.000 3/55566 870.0 51.468 51.468 7.908 -0.000 -0.000 -0.000 3/55566 880.0 50.983 50.983 7.818 -0.000 -0.000 -0.000 3/55566 890.0 50.507 50.507 7.729 -0.000 -0.000 -0.000 3/55566 900.0 50.039 50.039 7.643 -0.000 -0.000 -0.000 3/55566 910.0 49.580 49.580 7.559 -0.000 -0.000 -0.000 3/55566 920.0 49.128 49.128 7.476 -0.000 -0.000 -0.000 3/55566 930.0 48.684 48.684 7.395 -0.000 -0.000 -0.000 3/55566 940.0 48.248 48.248 7.316 -0.000 -0.000 -0.000 3/55566 950.0 47.819 47.819 7.239 -0.000 -0.000 -0.000 3/55566 960.0 47.397 47.397 7.164 -0.000 -0.000 -0.000 3/55566 970.0 46.982 46.982 7.090 -0.000 -0.000 -0.000 3/55566 980.0 46.574 46.574 7.017 -0.000 -0.000 -0.000 3/55566 990.0 46.173 46.173 6.946 -0.000 -0.000 -0.000 3/55566 1000.0 45.779 45.779 6.877 -0.000 -0.000 -0.000 3/55566Thermal conductivity related properties were written into "kappa-m21217.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:16:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|