# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/78a3520b-2b87-43d1-ae2f-700f9bcc6baf/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 RbSmSe2 / R-3m (166) / materials id 10780](https://mdr.nims.go.jp/datasets/0e43b868-802b-4d65-b529-266323056a7e) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:45:33]-------------------------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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.130944205375052 1.230301210601357 7.892413583333325 b -2.130944205375048 1.230301210601357 7.892413583333325 c 0.000000000000002 -2.460602421202717 7.892413583333325Atomic positions (fractional): *1 Se 0.23323039437305 0.23323039437305 0.23323039437305 78.960 2 Se 0.76676960562695 0.76676960562695 0.76676960562695 78.960 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.261888410750100 0.000000000000000 0.000000000000000 b -2.130944205375050 3.690903631804074 0.000000000000000 c 0.000000000000000 0.000000000000000 23.677240749999999Atomic positions (fractional): *1 Se 0.00000000000000 0.00000000000000 0.23323039437305 78.960 > 1 2 Se 0.66666666666667 0.33333333333333 0.10010293896028 78.960 > 2 3 Se 0.66666666666667 0.33333333333333 0.56656372770638 78.960 > 1 4 Se 0.33333333333333 0.66666666666667 0.43343627229362 78.960 > 2 5 Se 0.33333333333333 0.66666666666667 0.89989706103972 78.960 > 1 6 Se 0.00000000000000 0.00000000000000 0.76676960562695 78.960 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Sm 0.33333333333333 0.66666666666667 0.16666666666667 150.360 > 4 11 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 4 12 Sm 0.66666666666667 0.33333333333333 0.83333333333333 150.360 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.785665232250299 0.000000000000000 0.000000000000000 b -6.392832616125149 11.072710895412222 0.000000000000000 c 0.000000000000000 0.000000000000000 23.677240749999999Atomic positions (fractional): *1 Se 0.00000000000000 0.00000000000000 0.23323039437305 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23323039437305 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23323039437305 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23323039437305 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23323039437305 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23323039437305 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23323039437305 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23323039437305 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23323039437305 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.10010293896028 78.960 > 2 11 Se 0.55555555555556 0.11111111111111 0.10010293896028 78.960 > 2 12 Se 0.88888888888889 0.11111111111111 0.10010293896028 78.960 > 2 13 Se 0.22222222222222 0.44444444444444 0.10010293896028 78.960 > 2 14 Se 0.55555555555556 0.44444444444444 0.10010293896028 78.960 > 2 15 Se 0.88888888888889 0.44444444444444 0.10010293896028 78.960 > 2 16 Se 0.22222222222222 0.77777777777778 0.10010293896028 78.960 > 2 17 Se 0.55555555555556 0.77777777777778 0.10010293896028 78.960 > 2 18 Se 0.88888888888889 0.77777777777778 0.10010293896028 78.960 > 2 19 Se 0.22222222222222 0.11111111111111 0.56656372770638 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56656372770638 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56656372770638 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56656372770638 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56656372770638 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56656372770638 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56656372770638 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56656372770638 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56656372770638 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43343627229362 78.960 > 2 29 Se 0.44444444444444 0.22222222222222 0.43343627229362 78.960 > 2 30 Se 0.77777777777778 0.22222222222222 0.43343627229362 78.960 > 2 31 Se 0.11111111111111 0.55555555555556 0.43343627229362 78.960 > 2 32 Se 0.44444444444444 0.55555555555556 0.43343627229362 78.960 > 2 33 Se 0.77777777777778 0.55555555555556 0.43343627229362 78.960 > 2 34 Se 0.11111111111111 0.88888888888889 0.43343627229362 78.960 > 2 35 Se 0.44444444444444 0.88888888888889 0.43343627229362 78.960 > 2 36 Se 0.77777777777778 0.88888888888889 0.43343627229362 78.960 > 2 37 Se 0.11111111111111 0.22222222222222 0.89989706103972 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.89989706103972 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.89989706103972 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.89989706103972 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.89989706103972 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.89989706103972 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.89989706103972 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.89989706103972 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.89989706103972 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76676960562695 78.960 > 2 47 Se 0.33333333333333 0.00000000000000 0.76676960562695 78.960 > 2 48 Se 0.66666666666667 0.00000000000000 0.76676960562695 78.960 > 2 49 Se 0.00000000000000 0.33333333333333 0.76676960562695 78.960 > 2 50 Se 0.33333333333333 0.33333333333333 0.76676960562695 78.960 > 2 51 Se 0.66666666666667 0.33333333333333 0.76676960562695 78.960 > 2 52 Se 0.00000000000000 0.66666666666667 0.76676960562695 78.960 > 2 53 Se 0.33333333333333 0.66666666666667 0.76676960562695 78.960 > 2 54 Se 0.66666666666667 0.66666666666667 0.76676960562695 78.960 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 4 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 4 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 4 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 4 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 4 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 4 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 4 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 4 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 4 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 4 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 4 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 4 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 4 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 4 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 4 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 4 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 4 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 4 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 4 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 4 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 4 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 4 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 4 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 4 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 4 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 4 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.8409113 0.0000000 0.0000000 0.0000000 6.8409113 0.0000000 0.0000000 0.0000000 4.6754889-------------------------- Born effective charges -------------------------- 1 Se -2.9603814 -0.0000000 0.0000000 0.0000000 -2.9603814 0.0000000 0.0000000 0.0000000 -1.8639638 2 Se -2.9603814 -0.0000000 0.0000000 0.0000000 -2.9603814 0.0000000 0.0000000 0.0000000 -1.8639638 3 Rb 1.0934137 0.0000000 0.0000000 0.0000000 1.0934137 0.0000000 0.0000000 0.0000000 1.9170829 4 Sm 4.8273492 0.0000000 0.0000000 0.0000000 4.8273492 0.0000000 0.0000000 0.0000000 1.8108447----------------------------------------------------------------------------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: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 196Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.013Solver_block: 80 / 80 - Time: 0.178Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.192--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 196Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 23:45:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:45:38]-------------------------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 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.130944205375052 1.230301210601357 7.892413583333325 b -2.130944205375048 1.230301210601357 7.892413583333325 c 0.000000000000002 -2.460602421202717 7.892413583333325Atomic positions (fractional): 1 Se 0.23323039437305 0.23323039437305 0.23323039437305 78.960 2 Se 0.76676960562695 0.76676960562695 0.76676960562695 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 12.785665232250299 0.000000000000000 0.000000000000000 b -6.392832616125149 11.072710895412222 0.000000000000000 c 0.000000000000000 0.000000000000000 23.677240749999999Atomic positions (fractional): 1 Se 0.00000000000000 0.00000000000000 0.23323039437305 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23323039437305 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23323039437305 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23323039437305 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23323039437305 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23323039437305 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23323039437305 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23323039437305 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23323039437305 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.10010293896028 78.960 > 10 11 Se 0.55555555555556 0.11111111111111 0.10010293896028 78.960 > 10 12 Se 0.88888888888889 0.11111111111111 0.10010293896028 78.960 > 10 13 Se 0.22222222222222 0.44444444444444 0.10010293896028 78.960 > 10 14 Se 0.55555555555556 0.44444444444444 0.10010293896028 78.960 > 10 15 Se 0.88888888888889 0.44444444444444 0.10010293896028 78.960 > 10 16 Se 0.22222222222222 0.77777777777778 0.10010293896028 78.960 > 10 17 Se 0.55555555555556 0.77777777777778 0.10010293896028 78.960 > 10 18 Se 0.88888888888889 0.77777777777778 0.10010293896028 78.960 > 10 19 Se 0.22222222222222 0.11111111111111 0.56656372770638 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56656372770638 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56656372770638 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56656372770638 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56656372770638 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56656372770638 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56656372770638 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56656372770638 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56656372770638 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43343627229362 78.960 > 10 29 Se 0.44444444444444 0.22222222222222 0.43343627229362 78.960 > 10 30 Se 0.77777777777778 0.22222222222222 0.43343627229362 78.960 > 10 31 Se 0.11111111111111 0.55555555555556 0.43343627229362 78.960 > 10 32 Se 0.44444444444444 0.55555555555556 0.43343627229362 78.960 > 10 33 Se 0.77777777777778 0.55555555555556 0.43343627229362 78.960 > 10 34 Se 0.11111111111111 0.88888888888889 0.43343627229362 78.960 > 10 35 Se 0.44444444444444 0.88888888888889 0.43343627229362 78.960 > 10 36 Se 0.77777777777778 0.88888888888889 0.43343627229362 78.960 > 10 37 Se 0.11111111111111 0.22222222222222 0.89989706103972 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.89989706103972 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.89989706103972 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.89989706103972 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.89989706103972 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.89989706103972 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.89989706103972 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.89989706103972 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.89989706103972 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76676960562695 78.960 > 10 47 Se 0.33333333333333 0.00000000000000 0.76676960562695 78.960 > 10 48 Se 0.66666666666667 0.00000000000000 0.76676960562695 78.960 > 10 49 Se 0.00000000000000 0.33333333333333 0.76676960562695 78.960 > 10 50 Se 0.33333333333333 0.33333333333333 0.76676960562695 78.960 > 10 51 Se 0.66666666666667 0.33333333333333 0.76676960562695 78.960 > 10 52 Se 0.00000000000000 0.66666666666667 0.76676960562695 78.960 > 10 53 Se 0.33333333333333 0.66666666666667 0.76676960562695 78.960 > 10 54 Se 0.66666666666667 0.66666666666667 0.76676960562695 78.960 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 82 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 82 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 82 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 82 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 82 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 82 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 82 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 82 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 82 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 82 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 82 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 82 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 82 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 82 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 82 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 82 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 82 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 82 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 82 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 82 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 82 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 82 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 82 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 82 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 82 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 82 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.8409113 0.0000000 0.0000000 0.0000000 6.8409113 0.0000000 0.0000000 0.0000000 4.6754889-------------------------- Born effective charges -------------------------- 1 Se -2.9603814 -0.0000000 0.0000000 0.0000000 -2.9603814 0.0000000 0.0000000 0.0000000 -1.8639638 2 Se -2.9603814 -0.0000000 0.0000000 0.0000000 -2.9603814 0.0000000 0.0000000 0.0000000 -1.8639638 3 Rb 1.0934137 0.0000000 0.0000000 0.0000000 1.0934137 0.0000000 0.0000000 0.0000000 1.9170829 4 Sm 4.8273492 0.0000000 0.0000000 0.0000000 4.8273492 0.0000000 0.0000000 0.0000000 1.8108447----------------------------------------------------------------------------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[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): 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 23:45:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:45:43]-------------------------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 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.130944205375052 1.230301210601357 7.892413583333325 b -2.130944205375048 1.230301210601357 7.892413583333325 c 0.000000000000002 -2.460602421202717 7.892413583333325Atomic positions (fractional): 1 Se 0.23323039437305 0.23323039437305 0.23323039437305 78.960 2 Se 0.76676960562695 0.76676960562695 0.76676960562695 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 12.785665232250299 0.000000000000000 0.000000000000000 b -6.392832616125149 11.072710895412222 0.000000000000000 c 0.000000000000000 0.000000000000000 23.677240749999999Atomic positions (fractional): 1 Se 0.00000000000000 0.00000000000000 0.23323039437305 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23323039437305 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23323039437305 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23323039437305 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23323039437305 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23323039437305 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23323039437305 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23323039437305 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23323039437305 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.10010293896028 78.960 > 10 11 Se 0.55555555555556 0.11111111111111 0.10010293896028 78.960 > 10 12 Se 0.88888888888889 0.11111111111111 0.10010293896028 78.960 > 10 13 Se 0.22222222222222 0.44444444444444 0.10010293896028 78.960 > 10 14 Se 0.55555555555556 0.44444444444444 0.10010293896028 78.960 > 10 15 Se 0.88888888888889 0.44444444444444 0.10010293896028 78.960 > 10 16 Se 0.22222222222222 0.77777777777778 0.10010293896028 78.960 > 10 17 Se 0.55555555555556 0.77777777777778 0.10010293896028 78.960 > 10 18 Se 0.88888888888889 0.77777777777778 0.10010293896028 78.960 > 10 19 Se 0.22222222222222 0.11111111111111 0.56656372770638 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56656372770638 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56656372770638 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56656372770638 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56656372770638 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56656372770638 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56656372770638 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56656372770638 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56656372770638 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43343627229362 78.960 > 10 29 Se 0.44444444444444 0.22222222222222 0.43343627229362 78.960 > 10 30 Se 0.77777777777778 0.22222222222222 0.43343627229362 78.960 > 10 31 Se 0.11111111111111 0.55555555555556 0.43343627229362 78.960 > 10 32 Se 0.44444444444444 0.55555555555556 0.43343627229362 78.960 > 10 33 Se 0.77777777777778 0.55555555555556 0.43343627229362 78.960 > 10 34 Se 0.11111111111111 0.88888888888889 0.43343627229362 78.960 > 10 35 Se 0.44444444444444 0.88888888888889 0.43343627229362 78.960 > 10 36 Se 0.77777777777778 0.88888888888889 0.43343627229362 78.960 > 10 37 Se 0.11111111111111 0.22222222222222 0.89989706103972 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.89989706103972 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.89989706103972 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.89989706103972 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.89989706103972 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.89989706103972 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.89989706103972 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.89989706103972 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.89989706103972 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76676960562695 78.960 > 10 47 Se 0.33333333333333 0.00000000000000 0.76676960562695 78.960 > 10 48 Se 0.66666666666667 0.00000000000000 0.76676960562695 78.960 > 10 49 Se 0.00000000000000 0.33333333333333 0.76676960562695 78.960 > 10 50 Se 0.33333333333333 0.33333333333333 0.76676960562695 78.960 > 10 51 Se 0.66666666666667 0.33333333333333 0.76676960562695 78.960 > 10 52 Se 0.00000000000000 0.66666666666667 0.76676960562695 78.960 > 10 53 Se 0.33333333333333 0.66666666666667 0.76676960562695 78.960 > 10 54 Se 0.66666666666667 0.66666666666667 0.76676960562695 78.960 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 82 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 82 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 82 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 82 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 82 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 82 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 82 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 82 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 82 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 82 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 82 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 82 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 82 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 82 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 82 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 82 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 82 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 82 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 82 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 82 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 82 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 82 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 82 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 82 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 82 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 82 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 6.8409113 0.0000000 0.0000000 0.0000000 6.8409113 0.0000000 0.0000000 0.0000000 4.6754889-------------------------- Born effective charges -------------------------- 1 Se -2.9603814 -0.0000000 0.0000000 0.0000000 -2.9603814 0.0000000 0.0000000 0.0000000 -1.8639638 2 Se -2.9603814 -0.0000000 0.0000000 0.0000000 -2.9603814 0.0000000 0.0000000 0.0000000 -1.8639638 3 Rb 1.0934137 0.0000000 0.0000000 0.0000000 1.0934137 0.0000000 0.0000000 0.0000000 1.9170829 4 Sm 4.8273492 0.0000000 0.0000000 0.0000000 4.8273492 0.0000000 0.0000000 0.0000000 1.8108447----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.83, Number of G-points: 313, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 288Calculating 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 2.043 ( 0.000 0.000 0.000) 0.000 2.043 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.335 ( 15.901 9.180 -4.967) 19.021 0.381 ( 17.602 10.162 -4.794) 20.882 0.745 ( 31.195 18.010 12.294) 38.061 2.047 ( 0.175 0.101 1.074) 1.093 2.077 ( 3.105 1.793 -2.723) 4.502 3.120 ( -2.596 -1.499 0.151) 3.002 3.576 ( 0.588 0.339 0.374) 0.775 3.774 ( -0.887 -0.512 -0.250) 1.054 3.832 ( 3.897 2.250 0.771) 4.565 4.669 ( -2.284 -1.318 -1.430) 3.000 4.988 ( -3.974 -2.295 -4.493) 6.422 5.722 ( -2.259 -1.304 -4.053) 4.819======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.683 ( 16.554 9.557 -5.132) 19.791 0.754 ( 17.134 9.892 -6.258) 20.750 1.457 ( 29.234 16.879 10.544) 35.365 2.057 ( 0.254 0.146 2.188) 2.208 2.150 ( 4.138 2.389 -5.586) 7.351 3.047 ( -3.746 -2.162 0.801) 4.398 3.599 ( 1.339 0.773 0.605) 1.660 3.747 ( -1.253 -0.723 -0.494) 1.528 3.943 ( 5.205 3.005 1.547) 6.206 4.599 ( -3.226 -1.863 -1.936) 4.198 4.833 ( -9.705 -5.603 3.899) 11.865 5.632 ( -4.177 -2.412 -7.513) 8.928======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( 16.571 9.568 -5.547) 19.923 1.102 ( 15.817 9.132 -8.259) 20.045 2.071 ( 0.197 0.114 3.404) 3.412 2.099 ( 25.291 14.602 7.239) 30.088 2.215 ( 3.373 1.947 -6.925) 7.945 2.971 ( -3.638 -2.100 5.064) 6.579 3.640 ( 2.059 1.189 0.814) 2.513 3.720 ( -0.836 -0.483 -0.868) 1.298 4.052 ( 3.702 2.137 1.373) 4.490 4.524 ( -2.749 -1.587 -2.353) 3.951 4.588 ( -13.140 -7.587 6.056) 16.337 5.496 ( -5.560 -3.210 -8.769) 10.868======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 15.115 8.727 -6.253) 18.539 1.404 ( 13.605 7.855 -10.066) 18.658 2.086 ( 0.014 0.008 4.759) 4.759 2.265 ( 3.296 1.903 -6.187) 7.264 2.593 ( 15.540 8.972 3.475) 18.277 2.930 ( -1.085 -0.626 10.777) 10.850 3.684 ( 0.891 0.515 1.354) 1.701 3.717 ( 1.546 0.893 -1.607) 2.402 4.104 ( 0.636 0.367 -0.182) 0.757 4.304 ( -13.075 -7.549 4.886) 15.869 4.476 ( -0.678 -0.391 -2.025) 2.171 5.339 ( -6.090 -3.516 -7.816) 10.513======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 10.999 6.350 -10.121) 16.240 1.663 ( 11.810 6.818 -6.953) 15.307 2.099 ( -0.262 -0.151 6.002) 6.010 2.338 ( 4.509 2.603 -2.625) 5.830 2.716 ( -3.359 -1.939 6.915) 7.929 3.043 ( 5.672 3.275 5.508) 8.557 3.693 ( 0.205 0.118 0.232) 0.332 3.769 ( 2.609 1.506 -0.569) 3.065 4.066 ( -8.234 -4.754 3.090) 9.997 4.082 ( -2.384 -1.377 -1.509) 3.139 4.501 ( 3.730 2.154 -1.431) 4.539 5.180 ( -6.379 -3.683 -5.425) 9.148======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( 7.808 4.508 -7.054) 11.448 1.853 ( 6.692 3.864 -6.014) 9.792 2.109 ( -0.427 -0.247 5.551) 5.572 2.434 ( 3.518 2.031 -0.671) 4.117 2.625 ( -5.118 -2.955 8.047) 9.984 3.098 ( -0.901 -0.520 -0.251) 1.070 3.699 ( 0.271 0.157 -0.005) 0.313 3.816 ( 1.614 0.932 -0.230) 1.878 3.956 ( -2.534 -1.463 2.062) 3.580 4.021 ( -2.204 -1.272 -2.031) 3.256 4.632 ( 7.654 4.419 0.167) 8.839 5.016 ( -7.262 -4.193 -3.136) 8.953======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 -0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.459 ( -0.000 -0.000 0.000) 0.000 2.589 ( 0.000 0.000 -0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.936 ( -0.000 -0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.790 ( -0.000 -0.000 -0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.422 ( -0.000 17.796 13.194) 22.154 0.453 ( -0.000 21.046 7.461) 22.329 0.699 ( -0.000 34.234 4.704) 34.556 2.027 ( 0.000 -0.632 -3.338) 3.397 2.090 ( -0.000 4.468 0.156) 4.471 3.116 ( 0.000 -3.801 -0.667) 3.859 3.571 ( 0.000 0.451 -0.737) 0.864 3.779 ( -0.000 -0.797 0.929) 1.224 3.825 ( -0.000 4.167 -0.880) 4.259 4.659 ( 0.000 -2.498 -4.496) 5.143 4.945 ( 0.000 -1.263 -11.625) 11.694 5.736 ( 0.000 -1.674 -1.092) 1.999======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.564 ( 1.938 16.403 9.319) 18.965 0.777 ( 6.183 22.995 -2.425) 23.935 1.255 ( 21.469 25.806 9.481) 34.882 2.029 ( 2.315 -0.832 -3.514) 4.290 2.141 ( 0.223 5.429 -1.272) 5.581 3.056 ( -1.431 -4.436 -1.702) 4.962 3.584 ( 1.029 0.482 -0.333) 1.184 3.762 ( -1.116 -0.618 0.436) 1.348 3.905 ( 3.800 4.470 0.342) 5.877 4.605 ( -1.301 -3.330 -4.414) 5.680 4.878 ( -2.250 -7.603 0.373) 7.938 5.663 ( -4.792 -2.156 -4.582) 6.971======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( 10.617 12.642 2.788) 16.743 1.089 ( 6.927 21.092 -5.627) 22.903 1.877 ( 21.714 19.084 6.065) 29.538 2.069 ( 3.777 1.295 0.199) 3.997 2.186 ( 0.331 4.466 -3.908) 5.944 2.987 ( -1.143 -4.565 1.062) 4.824 3.612 ( 1.910 0.385 0.154) 1.955 3.738 ( -1.347 0.097 -0.031) 1.351 4.015 ( 4.000 3.168 1.074) 5.214 4.533 ( -1.819 -3.083 -3.522) 5.022 4.717 ( -8.073 -8.895 5.380) 13.162 5.522 ( -5.908 -3.935 -7.737) 10.500======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 13.014 9.635 -1.769) 16.289 1.379 ( 7.269 18.046 -7.312) 20.784 2.093 ( 2.351 1.461 -0.041) 2.768 2.220 ( 1.495 3.011 -5.204) 6.196 2.440 ( 17.401 14.860 5.767) 23.598 2.947 ( 0.251 -3.648 6.275) 7.263 3.655 ( 2.657 -0.055 0.759) 2.764 3.722 ( -1.047 1.157 -0.562) 1.659 4.088 ( 1.820 0.883 0.060) 2.024 4.460 ( -5.492 -3.980 -0.713) 6.820 4.496 ( -7.948 -4.481 3.842) 9.900 5.354 ( -5.213 -5.981 -8.321) 11.497======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( 12.233 6.620 -5.217) 14.856 1.636 ( 6.851 14.983 -7.483) 18.095 2.135 ( -0.254 2.427 3.721) 4.450 2.280 ( 4.111 2.881 -3.477) 6.106 2.732 ( 3.576 2.561 2.413) 5.017 3.005 ( 5.326 2.702 8.438) 10.337 3.690 ( 0.988 -0.458 1.652) 1.978 3.735 ( 1.617 1.745 -1.226) 2.676 4.089 ( -1.053 -1.466 -1.634) 2.435 4.237 ( -12.502 -1.894 3.983) 13.257 4.462 ( 1.628 0.366 -1.946) 2.563 5.191 ( -3.901 -7.244 -6.389) 10.417======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( 10.352 4.019 -6.282) 12.758 1.845 ( 4.938 11.834 -6.604) 14.424 2.155 ( -1.581 2.040 5.320) 5.913 2.384 ( 4.941 3.185 -0.990) 5.962 2.713 ( -4.610 -1.936 5.405) 7.363 3.112 ( 0.687 1.622 2.193) 2.813 3.701 ( 0.132 0.492 1.068) 1.183 3.787 ( 2.654 1.167 -0.462) 2.936 4.031 ( -2.599 -1.777 -1.681) 3.570 4.070 ( -8.237 2.012 1.552) 8.620 4.542 ( 6.549 2.565 -0.704) 7.069 5.040 ( -3.837 -7.678 -3.802) 9.388======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 6.509 0.892 -4.383) 7.898 1.981 ( 1.359 8.131 -3.931) 9.133 2.151 ( -2.494 1.002 4.272) 5.047 2.469 ( 1.486 1.999 -0.325) 2.512 2.626 ( -4.801 -0.003 2.130) 5.252 3.101 ( -2.114 1.011 1.447) 2.754 3.710 ( -0.194 0.653 0.391) 0.785 3.829 ( 1.111 0.677 -0.219) 1.320 3.983 ( -2.238 1.714 -0.896) 2.958 3.999 ( -2.818 1.275 0.652) 3.161 4.706 ( 8.985 2.586 0.682) 9.375 4.884 ( -4.877 -7.492 -1.979) 9.156======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( -1.086 -4.238 1.612) 4.662 2.009 ( -4.898 3.761 2.068) 6.512 2.123 ( -2.242 1.446 -1.407) 3.017 2.471 ( -2.217 -0.283 0.003) 2.235 2.587 ( -0.335 3.463 -6.136) 7.054 3.110 ( -0.157 2.508 3.260) 4.116 3.706 ( -0.591 0.022 -0.305) 0.666 3.830 ( -1.043 -0.506 0.035) 1.160 3.982 ( -1.668 5.479 -1.014) 5.817 4.003 ( 1.693 0.702 1.521) 2.382 4.698 ( -6.309 -6.218 -0.931) 8.907 4.903 ( 9.658 0.723 2.070) 9.904======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( -7.371 -7.987 6.629) 12.730 1.905 ( -11.392 1.071 6.447) 13.133 2.106 ( -1.323 2.974 -5.434) 6.335 2.392 ( -4.246 -2.819 0.525) 5.124 2.649 ( 4.078 4.717 -8.589) 10.614 3.104 ( -4.624 -0.283 0.466) 4.656 3.692 ( -0.297 -0.796 -0.927) 1.258 3.792 ( -2.212 -1.388 0.505) 2.660 4.036 ( 2.182 5.509 -0.902) 5.994 4.065 ( 2.227 4.062 0.854) 4.710 4.547 ( -4.782 -4.086 0.412) 6.303 5.075 ( 9.587 -0.286 3.802) 10.317======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( -11.868 -9.591 7.098) 16.830 1.705 ( -15.632 0.677 7.611) 17.400 2.095 ( -1.573 2.847 -4.996) 5.961 2.310 ( -2.769 -2.443 2.818) 4.644 2.708 ( -1.508 0.715 -3.007) 3.439 2.928 ( -9.461 -3.876 -8.049) 13.012 3.677 ( 0.011 -1.612 -1.343) 2.098 3.746 ( -2.088 -0.411 1.259) 2.472 4.101 ( 1.261 -0.049 0.998) 1.609 4.203 ( 6.913 9.937 -3.472) 12.593 4.478 ( -0.757 -1.213 1.535) 2.098 5.246 ( 9.450 -0.231 5.600) 10.987======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( -15.208 -9.788 5.307) 18.848 1.446 ( -19.046 1.423 7.313) 20.451 2.077 ( -1.659 1.548 -3.304) 4.009 2.256 ( -3.309 -2.802 1.512) 4.592 2.410 ( -23.680 -6.530 -0.031) 24.564 2.884 ( 5.244 0.292 -7.503) 9.159 3.646 ( -0.965 -2.020 -1.096) 2.493 3.730 ( -0.677 0.971 1.133) 1.639 4.085 ( -2.365 -1.102 -0.582) 2.673 4.435 ( 11.159 7.723 -4.428) 14.275 4.495 ( 2.337 0.201 1.998) 3.081 5.420 ( 8.774 0.589 6.026) 10.660======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( -16.656 -7.703 3.142) 18.618 1.142 ( -21.658 2.220 5.490) 22.453 1.819 ( -30.442 -7.799 -5.390) 31.884 2.061 ( -1.252 0.426 -2.110) 2.490 2.224 ( -4.416 -0.896 3.974) 6.008 2.972 ( 5.923 0.521 -2.112) 6.309 3.609 ( -1.192 -1.040 -0.559) 1.678 3.741 ( 0.495 0.749 0.580) 1.069 4.006 ( -5.012 -1.318 -0.928) 5.265 4.554 ( 3.728 0.621 0.580) 3.824 4.680 ( 11.848 3.661 -2.443) 12.639 5.577 ( 6.950 0.920 4.161) 8.153======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.520 ( -16.571 -0.000 0.000) 16.571 0.792 ( -23.006 -0.000 0.000) 23.006 1.209 ( -34.821 -0.000 0.000) 34.821 2.046 ( -0.411 -0.000 0.000) 0.411 2.146 ( -4.845 -0.000 0.000) 4.845 3.064 ( 4.729 0.000 -0.000) 4.729 3.585 ( -0.916 -0.000 0.000) 0.916 3.760 ( 1.064 0.000 -0.000) 1.064 3.904 ( -5.720 -0.000 0.000) 5.720 4.624 ( 3.787 0.000 -0.000) 3.787 4.877 ( 9.751 0.000 -0.000) 9.751 5.685 ( 4.380 0.000 -0.000) 4.380======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( -0.000 18.330 11.837) 21.820 0.902 ( -0.000 20.833 6.505) 21.825 1.373 ( -0.000 32.508 3.974) 32.750 1.981 ( 0.000 -1.160 -6.005) 6.116 2.199 ( -0.000 6.366 -0.750) 6.410 3.007 ( 0.000 -6.071 -3.038) 6.789 3.581 ( 0.000 1.206 -1.193) 1.696 3.768 ( -0.000 -1.050 1.505) 1.835 3.918 ( -0.000 5.625 -1.085) 5.729 4.557 ( 0.000 -4.413 -6.777) 8.087 4.810 ( 0.000 -9.346 2.016) 9.561 5.678 ( 0.000 -3.270 -2.529) 4.134======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( -3.807 19.184 11.471) 22.674 1.191 ( 4.678 20.260 -0.199) 20.793 1.811 ( 12.604 25.722 3.484) 28.855 1.988 ( 4.700 0.154 -4.122) 6.253 2.245 ( -1.134 6.038 -2.474) 6.623 2.936 ( 0.207 -6.680 -1.359) 6.820 3.596 ( 0.682 1.214 -0.686) 1.553 3.757 ( -0.646 -0.311 0.916) 1.163 3.994 ( 2.724 4.340 -0.269) 5.131 4.493 ( 0.355 -5.001 -5.590) 7.509 4.709 ( -1.783 -10.618 4.140) 11.535 5.577 ( -6.127 -4.107 -3.984) 8.383======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( 1.387 17.158 7.536) 18.791 1.442 ( 4.338 17.909 -4.625) 18.999 2.026 ( 5.653 2.550 -6.415) 8.923 2.238 ( 1.421 4.010 1.507) 4.513 2.357 ( 12.258 18.738 0.933) 22.411 2.892 ( 1.998 -5.832 2.980) 6.848 3.622 ( 1.424 0.678 0.388) 1.624 3.750 ( -0.705 0.971 0.209) 1.218 4.067 ( 1.972 1.745 -0.277) 2.648 4.442 ( 0.497 -4.326 -3.253) 5.435 4.573 ( -4.679 -8.304 4.170) 10.404 5.388 ( -8.422 -5.760 -5.720) 11.697======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 4.148 12.865 2.200) 13.695 1.665 ( 5.084 15.312 -5.383) 17.008 2.137 ( 4.753 4.044 -2.179) 6.610 2.264 ( 0.214 2.972 -0.260) 2.991 2.678 ( 7.132 5.459 -1.359) 9.084 2.952 ( 6.667 2.579 7.126) 10.093 3.658 ( 2.051 -0.018 1.692) 2.659 3.753 ( -0.672 2.049 -0.259) 2.172 4.081 ( -0.344 -1.165 -1.462) 1.901 4.388 ( -4.135 -3.533 1.952) 5.778 4.452 ( -2.373 -1.107 -0.533) 2.672 5.172 ( -6.518 -8.191 -5.822) 11.978======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 5.540 9.100 -1.224) 10.724 1.869 ( 4.484 12.635 -4.585) 14.170 2.216 ( -0.329 3.532 2.807) 4.524 2.333 ( 4.349 3.264 0.072) 5.438 2.743 ( 1.098 -0.921 0.527) 1.527 3.112 ( 3.308 4.294 2.101) 5.814 3.698 ( 1.627 0.040 2.891) 3.318 3.770 ( 0.596 2.245 -0.727) 2.434 4.035 ( -1.702 -2.561 -2.096) 3.722 4.263 ( -9.239 2.273 1.740) 9.672 4.471 ( 3.672 1.560 -1.245) 4.179 4.990 ( -2.876 -9.927 -3.896) 11.046======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( 5.013 6.246 -2.363) 8.351 2.021 ( 2.411 9.019 -3.523) 9.979 2.222 ( -2.793 1.236 4.691) 5.598 2.436 ( 4.006 1.665 0.365) 4.354 2.732 ( -3.754 3.342 -0.111) 5.028 3.149 ( -1.242 1.834 0.441) 2.259 3.719 ( -0.096 0.213 1.693) 1.709 3.810 ( 1.884 1.165 -0.408) 2.253 3.985 ( -0.627 -1.557 -1.485) 2.241 4.154 ( -8.338 5.588 0.490) 10.049 4.583 ( 7.495 1.576 0.081) 7.660 4.850 ( -1.917 -9.755 -2.016) 10.145======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 0.947 1.935 -1.548) 2.653 2.098 ( -0.820 5.116 -0.861) 5.253 2.184 ( -3.340 0.273 2.543) 4.207 2.475 ( 0.459 -1.944 -0.543) 2.070 2.691 ( -6.300 8.098 -4.037) 11.026 3.161 ( -0.573 3.328 3.829) 5.106 3.712 ( -0.671 -0.613 -0.338) 0.970 3.835 ( 0.361 -0.113 -0.007) 0.379 3.984 ( 1.421 -0.253 0.716) 1.611 4.104 ( -5.105 7.899 -0.341) 9.411 4.709 ( -1.923 -6.052 -0.911) 6.415 4.739 ( 7.995 -2.878 0.829) 8.538======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( -5.176 -3.166 2.060) 6.407 2.077 ( -6.015 1.483 2.384) 6.638 2.156 ( -1.838 3.208 -1.745) 4.088 2.419 ( -2.755 -3.647 -1.432) 4.790 2.672 ( -3.155 7.677 -5.990) 10.236 3.191 ( -2.780 3.105 4.395) 6.057 3.685 ( -0.852 -1.519 -1.798) 2.503 3.820 ( -1.649 -0.590 0.564) 1.840 4.018 ( 2.259 -0.141 1.861) 2.931 4.139 ( -1.331 10.270 -1.049) 10.409 4.578 ( -4.167 -5.219 -0.394) 6.690 4.890 ( 10.915 -3.314 2.098) 11.599======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( -9.724 -4.838 4.061) 11.595 1.950 ( -10.813 0.383 3.244) 11.295 2.159 ( -2.305 4.710 -2.449) 5.788 2.329 ( -2.786 -3.742 -0.305) 4.675 2.694 ( 1.002 3.769 -4.925) 6.282 3.096 ( -11.879 -0.629 0.487) 11.906 3.653 ( -0.114 -1.815 -1.678) 2.475 3.785 ( -2.140 0.134 0.904) 2.327 4.066 ( 2.788 -0.105 1.134) 3.012 4.231 ( 1.013 9.477 -1.696) 9.681 4.487 ( -2.043 -2.246 0.546) 3.085 5.058 ( 12.131 -3.099 3.107) 12.900======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -14.411 -3.758 2.780) 15.150 1.753 ( -14.288 0.513 2.949) 14.598 2.139 ( -3.828 3.090 -1.855) 5.258 2.268 ( -1.029 -2.599 0.903) 2.937 2.728 ( -7.113 1.462 3.993) 8.287 2.811 ( -10.215 -2.971 -8.042) 13.336 3.634 ( -0.123 -1.249 -0.736) 1.455 3.761 ( -1.539 0.588 0.602) 1.754 4.097 ( 0.373 -0.415 0.217) 0.598 4.350 ( 5.482 5.447 -1.888) 7.955 4.469 ( 0.885 -0.565 0.846) 1.348 5.253 ( 12.080 -1.088 2.645) 12.414======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( -17.243 -0.000 0.000) 17.243 1.492 ( -17.920 -0.000 0.000) 17.920 2.093 ( -2.727 -0.000 0.000) 2.727 2.198 ( -11.197 -0.000 0.000) 11.197 2.364 ( -19.553 -0.000 0.000) 19.553 2.861 ( 6.606 0.000 -0.000) 6.606 3.619 ( -0.793 -0.000 0.000) 0.793 3.747 ( -0.588 -0.000 0.000) 0.588 4.070 ( -3.109 -0.000 0.000) 3.109 4.501 ( 2.849 0.000 -0.000) 2.849 4.507 ( 10.133 0.000 -0.000) 10.133 5.442 ( 10.135 0.000 -0.000) 10.135======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.269 ( -0.000 18.280 9.591) 20.643 1.327 ( -0.000 19.292 4.698) 19.856 1.914 ( 0.000 -1.454 -7.201) 7.346 1.989 ( -0.000 27.822 3.591) 28.053 2.302 ( 0.000 5.787 -5.503) 7.986 2.860 ( 0.000 -7.538 0.260) 7.542 3.606 ( 0.000 2.148 -1.153) 2.437 3.760 ( -0.000 -0.631 1.435) 1.568 4.012 ( -0.000 4.384 -1.129) 4.527 4.407 ( 0.000 -7.493 -5.005) 9.010 4.636 ( 0.000 -9.426 3.707) 10.129 5.579 ( 0.000 -5.251 -2.957) 6.026======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( -4.507 18.443 10.193) 21.549 1.540 ( 2.171 15.575 -1.571) 15.804 1.931 ( 5.459 1.162 -6.389) 8.484 2.262 ( 2.108 7.122 2.263) 7.765 2.382 ( 5.370 17.295 -7.260) 19.510 2.812 ( 1.623 -5.256 5.213) 7.579 3.625 ( 0.058 2.042 -0.232) 2.056 3.761 ( 0.155 0.210 0.718) 0.764 4.059 ( 1.287 2.600 -1.035) 3.080 4.338 ( 2.680 -8.690 -2.344) 9.391 4.553 ( -1.549 -6.539 1.924) 6.990 5.455 ( -6.670 -6.145 -3.484) 9.716======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( -3.197 13.231 4.700) 14.400 1.723 ( 3.697 14.284 -1.595) 14.840 2.065 ( 7.513 4.977 -3.578) 9.696 2.292 ( 0.090 2.296 -1.792) 2.914 2.595 ( 5.650 1.610 -4.241) 7.246 2.907 ( 6.388 8.344 7.378) 12.839 3.647 ( 0.532 1.290 1.554) 2.089 3.774 ( 0.271 1.253 0.007) 1.282 4.076 ( -0.495 -0.156 -1.570) 1.654 4.321 ( 4.668 -6.850 -0.021) 8.290 4.479 ( -2.101 -2.331 0.072) 3.139 5.233 ( -10.206 -7.181 -3.930) 13.083======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 0.700 10.022 1.770) 10.201 1.912 ( 3.304 12.178 -0.688) 12.637 2.222 ( 5.173 5.362 -1.085) 7.529 2.323 ( 0.739 2.363 2.097) 3.245 2.652 ( 6.334 -3.314 -3.200) 7.832 3.114 ( 3.958 8.461 1.403) 9.446 3.679 ( 1.458 0.576 3.144) 3.513 3.790 ( -0.085 1.822 -0.249) 1.841 4.036 ( -1.985 -2.023 -1.958) 3.445 4.342 ( 2.121 -2.444 0.905) 3.360 4.452 ( -0.145 1.715 -1.025) 2.003 4.978 ( -8.823 -8.726 -3.286) 12.837======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 2.202 9.017 1.481) 9.399 2.054 ( 2.403 7.946 -1.519) 8.439 2.289 ( -1.944 1.634 3.271) 4.141 2.384 ( 3.712 0.793 1.851) 4.223 2.756 ( 6.043 4.245 -2.895) 7.932 3.186 ( -1.118 3.388 -2.363) 4.280 3.719 ( 1.310 -0.086 3.076) 3.345 3.803 ( -0.068 1.279 -0.349) 1.328 3.978 ( -1.419 -1.820 -1.655) 2.840 4.329 ( -4.512 3.495 0.253) 5.713 4.502 ( 3.747 1.872 -0.429) 4.210 4.776 ( -3.124 -9.890 -1.626) 10.499======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( -0.039 6.480 0.568) 6.505 2.140 ( 0.987 4.693 -1.076) 4.915 2.248 ( -3.515 -0.968 3.223) 4.866 2.433 ( 1.825 -1.963 0.156) 2.685 2.864 ( -2.589 10.792 -3.635) 11.678 3.190 ( 1.000 1.786 0.438) 2.093 3.723 ( -1.216 -0.412 0.660) 1.444 3.814 ( 1.246 -0.952 0.085) 1.570 3.957 ( 0.860 -0.897 -0.101) 1.247 4.281 ( -6.348 7.145 -0.289) 9.562 4.590 ( 6.071 -1.503 0.361) 6.265 4.663 ( -0.463 -7.695 -0.669) 7.738======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( -4.838 1.437 0.347) 5.059 2.162 ( -2.324 1.540 0.339) 2.808 2.207 ( -1.517 1.455 0.723) 2.222 2.410 ( -0.916 -3.388 -1.252) 3.726 2.845 ( -8.373 8.595 -4.213) 12.718 3.258 ( 1.284 3.568 4.084) 5.573 3.686 ( -1.799 -1.252 -1.503) 2.658 3.823 ( 0.823 -1.282 0.510) 1.606 3.980 ( 2.223 -0.757 1.214) 2.644 4.276 ( -3.489 9.192 -0.627) 9.851 4.577 ( -1.609 -5.121 -0.444) 5.386 4.688 ( 8.268 -4.176 0.860) 9.303======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -7.836 -1.207 0.947) 7.985 2.099 ( -6.206 0.216 0.469) 6.227 2.220 ( -0.289 3.201 0.116) 3.216 2.339 ( -3.096 -3.215 -1.219) 4.627 2.763 ( -6.187 3.515 -2.486) 7.537 3.266 ( -6.006 1.828 2.413) 6.726 3.642 ( -1.003 -1.282 -1.469) 2.192 3.816 ( -0.952 -0.203 0.456) 1.075 4.019 ( 2.785 -0.446 0.817) 2.936 4.316 ( -1.637 6.637 -0.680) 6.870 4.506 ( -2.409 -1.940 -0.048) 3.093 4.820 ( 12.213 -3.611 1.105) 12.783======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( -10.688 -0.000 0.000) 10.688 1.962 ( -10.235 -0.000 0.000) 10.235 2.239 ( -5.302 -0.000 0.000) 5.302 2.251 ( 0.655 0.000 -0.000) 0.655 2.719 ( -0.148 -0.000 0.000) 0.148 3.091 ( -15.648 -0.000 0.000) 15.648 3.627 ( 0.038 0.000 -0.000) 0.038 3.792 ( -1.724 -0.000 0.000) 1.724 4.066 ( 2.720 0.000 -0.000) 2.720 4.332 ( 0.260 0.000 -0.000) 0.260 4.467 ( -1.034 -0.000 0.000) 1.034 5.029 ( 13.750 0.000 -0.000) 13.750======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( -0.000 15.688 3.925) 16.172 1.681 ( -0.000 14.609 0.465) 14.616 1.851 ( 0.000 -0.396 -3.808) 3.829 2.285 ( 0.000 1.023 -5.156) 5.257 2.472 ( -0.000 12.306 -4.747) 13.190 2.804 ( -0.000 3.927 9.839) 10.593 3.649 ( -0.000 2.720 -0.555) 2.776 3.761 ( -0.000 0.123 0.648) 0.659 4.066 ( 0.000 1.952 -1.352) 2.374 4.211 ( 0.000 -10.524 -0.239) 10.527 4.520 ( 0.000 -3.368 0.066) 3.368 5.439 ( 0.000 -7.245 -3.087) 7.875======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( -4.138 4.816 -5.617) 8.478 1.836 ( 1.666 15.921 5.845) 17.042 1.962 ( 7.919 3.987 -3.446) 9.512 2.282 ( 1.287 1.223 -5.368) 5.654 2.524 ( 1.150 -2.463 0.970) 2.886 2.960 ( 3.246 14.514 6.962) 16.422 3.669 ( -0.415 2.236 0.822) 2.418 3.772 ( 0.731 0.702 -0.114) 1.020 4.082 ( -0.152 0.687 -1.752) 1.888 4.149 ( 4.885 -9.481 0.931) 10.706 4.491 ( -1.121 -0.175 -0.878) 1.434 5.299 ( -6.549 -7.916 -3.148) 10.745======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( 0.983 4.701 -2.632) 5.477 2.010 ( -0.122 11.310 4.497) 12.171 2.141 ( 10.392 4.725 -3.840) 12.044 2.328 ( 2.266 3.009 -0.735) 3.838 2.507 ( 2.831 -5.471 0.250) 6.165 3.161 ( 2.492 11.308 1.933) 11.740 3.686 ( -0.093 1.093 2.853) 3.056 3.795 ( 0.958 1.125 -0.616) 1.601 4.050 ( -1.895 -1.075 -1.783) 2.815 4.199 ( 8.245 -5.604 0.445) 9.979 4.481 ( -1.039 2.722 -0.775) 3.015 5.065 ( -10.406 -7.938 -2.766) 13.377======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 4.094 6.544 0.949) 7.777 2.096 ( 0.686 5.694 0.333) 5.744 2.322 ( 4.177 4.939 1.109) 6.563 2.354 ( -1.145 -2.155 4.081) 4.754 2.603 ( 12.528 2.089 -4.333) 13.420 3.247 ( -1.719 5.489 -2.574) 6.302 3.706 ( 0.770 -0.176 3.288) 3.382 3.816 ( 0.290 1.054 -0.410) 1.167 3.998 ( -2.719 -0.451 -1.548) 3.161 4.296 ( 7.565 -2.656 0.012) 8.018 4.503 ( -0.217 3.735 -0.162) 3.745 4.807 ( -10.004 -7.162 -1.642) 12.412======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 2.044 6.779 2.065) 7.375 2.157 ( 1.183 3.739 -0.398) 3.942 2.295 ( -2.896 -3.121 2.420) 4.898 2.393 ( 1.289 0.015 0.988) 1.624 2.871 ( 12.652 7.684 -2.101) 14.951 3.215 ( -3.990 1.522 -3.519) 5.533 3.725 ( 1.122 -0.769 1.732) 2.203 3.812 ( -1.771 -0.172 0.153) 1.786 3.952 ( -1.453 -0.308 -0.691) 1.638 4.383 ( 2.889 1.544 -0.154) 3.280 4.524 ( -0.457 0.338 -0.233) 0.615 4.620 ( -3.650 -4.706 -0.132) 5.958======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( -4.071 3.284 0.987) 5.322 2.197 ( -0.202 1.647 0.141) 1.665 2.235 ( -1.227 -1.198 0.441) 1.771 2.390 ( -0.351 -1.631 -0.181) 1.678 3.046 ( -5.793 7.934 -2.566) 10.153 3.205 ( 7.542 -0.901 0.919) 7.651 3.725 ( -3.131 0.847 -0.527) 3.286 3.775 ( 1.605 -2.741 0.845) 3.287 3.947 ( 1.073 -0.260 0.233) 1.128 4.409 ( -3.272 5.720 -0.437) 6.604 4.513 ( 2.985 -4.340 0.022) 5.267 4.582 ( 0.937 -2.093 0.243) 2.306======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( -7.500 -0.000 0.000) 7.500 2.175 ( -2.898 -0.000 0.000) 2.898 2.232 ( 0.254 0.000 -0.000) 0.254 2.363 ( -1.637 -0.000 0.000) 1.637 2.922 ( -9.927 -0.000 0.000) 9.927 3.314 ( 2.361 0.000 -0.000) 2.361 3.664 ( -2.920 -0.000 0.000) 2.920 3.807 ( 1.953 0.000 -0.000) 1.953 3.975 ( 2.216 0.000 -0.000) 2.216 4.390 ( -2.886 -0.000 0.000) 2.886 4.523 ( -0.357 -0.000 0.000) 0.357 4.627 ( 7.476 0.000 -0.000) 7.476======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( 0.000 0.205 -8.035) 8.038 1.823 ( 0.000 1.375 -9.754) 9.850 2.021 ( -0.000 11.726 7.217) 13.769 2.281 ( -0.000 3.967 -1.703) 4.317 2.496 ( -0.000 -4.265 4.429) 6.149 3.103 ( -0.000 15.169 5.667) 16.193 3.699 ( -0.000 2.396 0.455) 2.439 3.770 ( 0.000 0.712 -0.584) 0.921 4.017 ( 0.000 -8.430 1.936) 8.650 4.085 ( 0.000 0.096 -1.840) 1.842 4.509 ( 0.000 2.584 -1.131) 2.821 5.263 ( 0.000 -9.041 -3.051) 9.542======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( -0.309 0.484 -5.540) 5.570 1.910 ( 11.193 -3.297 -9.912) 15.310 2.153 ( 1.000 11.082 5.896) 12.593 2.334 ( 0.790 4.369 1.231) 4.608 2.461 ( -0.574 -3.872 3.252) 5.089 3.254 ( 0.451 10.942 3.042) 11.366 3.714 ( -0.770 1.389 1.920) 2.492 3.784 ( 0.973 0.864 -1.150) 1.737 4.000 ( 5.424 -5.930 0.951) 8.093 4.077 ( -0.104 -0.189 -1.422) 1.439 4.535 ( -1.003 5.212 -0.643) 5.346 5.113 ( -5.722 -9.291 -2.767) 11.257======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 5.894 2.742 -0.888) 6.561 2.036 ( 9.672 -2.731 -5.831) 11.619 2.313 ( 3.260 7.118 5.827) 9.759 2.368 ( 0.254 0.215 1.423) 1.461 2.457 ( 3.661 0.930 -1.021) 3.913 3.326 ( -1.888 5.376 -0.538) 5.723 3.715 ( -0.733 0.077 2.684) 2.783 3.809 ( 1.251 0.764 -0.960) 1.752 4.032 ( -0.746 0.402 -1.219) 1.484 4.112 ( 8.449 -3.625 0.201) 9.196 4.569 ( -1.762 6.196 0.224) 6.445 4.895 ( -8.720 -8.107 -1.989) 12.071======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 7.123 3.103 0.954) 7.828 2.140 ( 5.366 0.490 -1.658) 5.637 2.307 ( -2.666 -2.667 2.222) 4.377 2.410 ( -0.888 2.237 1.242) 2.709 2.655 ( 15.688 2.981 -1.300) 16.021 3.301 ( -4.381 1.727 -1.881) 5.071 3.711 ( -0.067 -0.509 1.386) 1.479 3.828 ( 0.335 0.390 -0.166) 0.540 3.996 ( -3.272 0.499 -0.634) 3.370 4.249 ( 9.882 -1.677 -0.001) 10.023 4.585 ( -3.077 4.419 0.645) 5.423 4.681 ( -7.496 -5.150 -1.032) 9.154======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( 2.675 0.000 -0.000) 2.675 2.209 ( 2.185 0.000 -0.000) 2.185 2.239 ( -3.091 -0.000 0.000) 3.091 2.398 ( -1.292 -0.000 0.000) 1.292 2.955 ( 16.975 0.000 -0.000) 16.975 3.214 ( -6.469 -0.000 0.000) 6.469 3.720 ( 1.469 0.000 -0.000) 1.469 3.808 ( -3.382 -0.000 0.000) 3.382 3.948 ( -1.668 -0.000 0.000) 1.668 4.389 ( 7.335 0.000 -0.000) 7.335 4.522 ( -5.512 -0.000 0.000) 5.512 4.586 ( -2.006 -0.000 0.000) 2.006======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 0.000 -4.667 -9.018) 10.154 1.704 ( 0.000 -0.314 -4.356) 4.367 2.241 ( -0.000 6.935 3.672) 7.847 2.374 ( -0.000 1.947 3.163) 3.714 2.449 ( -0.000 -0.786 1.314) 1.531 3.356 ( -0.000 7.724 2.840) 8.229 3.741 ( -0.000 1.248 1.309) 1.809 3.779 ( 0.000 0.742 -1.489) 1.663 3.900 ( 0.000 -4.398 1.345) 4.599 4.076 ( 0.000 -0.038 -1.165) 1.165 4.607 ( -0.000 7.606 -0.074) 7.606 5.058 ( 0.000 -10.121 -2.593) 10.448======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 3.930 -0.076 -1.832) 4.337 1.794 ( 10.459 -2.451 -4.403) 11.610 2.328 ( 3.304 4.074 2.265) 5.714 2.374 ( -0.944 -1.125 2.022) 2.499 2.455 ( -0.468 1.535 -0.052) 1.606 3.403 ( -1.679 3.339 0.860) 3.834 3.741 ( -1.195 0.255 1.393) 1.853 3.790 ( 1.092 0.465 -1.012) 1.560 3.931 ( 6.495 -1.789 0.318) 6.745 4.067 ( -0.700 -0.087 -0.574) 0.909 4.672 ( -1.640 7.790 0.615) 7.985 4.917 ( -4.504 -8.773 -1.860) 10.035======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 7.946 0.000 -0.000) 7.946 1.974 ( 12.296 0.000 -0.000) 12.296 2.344 ( -2.182 -0.000 0.000) 2.182 2.447 ( -1.280 -0.000 0.000) 1.280 2.455 ( 9.081 0.000 -0.000) 9.081 3.374 ( -3.439 -0.000 0.000) 3.439 3.723 ( -1.137 -0.000 0.000) 1.137 3.814 ( 1.370 0.000 -0.000) 1.370 4.044 ( -1.979 -0.000 0.000) 1.979 4.067 ( 10.040 0.000 -0.000) 10.040 4.684 ( -2.921 -0.000 0.000) 2.921 4.758 ( -7.205 -0.000 0.000) 7.205======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( -0.000 0.000 0.000) 0.000 1.687 ( -0.000 0.000 0.000) 0.000 2.321 ( -0.000 0.000 0.000) 0.000 2.379 ( -0.000 0.000 0.000) 0.000 2.470 ( -0.000 0.000 0.000) 0.000 3.437 ( -0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 -0.000) 0.000 3.781 ( -0.000 0.000 0.000) 0.000 3.862 ( -0.000 -0.000 0.000) 0.000 4.072 ( -0.000 0.000 0.000) 0.000 4.739 ( -0.000 0.000 0.000) 0.000 4.895 ( -0.000 -0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.192 ( -0.000 0.000 21.103) 21.103 0.192 ( -0.000 0.000 21.103) 21.103 0.315 ( -0.000 0.000 34.617) 34.617 2.033 ( 0.000 -0.000 -2.349) 2.349 2.033 ( 0.000 -0.000 -2.349) 2.349 3.568 ( 0.000 -0.000 -0.351) 0.351 3.568 ( 0.000 -0.000 -0.351) 0.351 3.669 ( 0.000 -0.000 -8.296) 8.296 3.788 ( -0.000 0.000 0.694) 0.694 3.788 ( -0.000 0.000 0.694) 0.694 4.720 ( -0.000 0.000 4.623) 4.623 5.773 ( 0.000 -0.000 -0.460) 0.460======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.345 ( 11.787 6.805 6.872) 15.247 0.407 ( 11.947 6.897 10.655) 17.431 0.888 ( 28.244 16.307 18.319) 37.406 2.042 ( 2.294 1.324 -4.876) 5.549 2.046 ( 0.944 0.545 -1.271) 1.674 3.116 ( -3.963 -2.288 -1.244) 4.742 3.577 ( 0.742 0.428 -0.117) 0.865 3.775 ( -1.067 -0.616 0.533) 1.343 3.839 ( 4.334 2.502 0.773) 5.064 4.613 ( 2.075 1.198 -13.435) 13.647 4.901 ( 7.612 4.395 -9.175) 12.705 5.682 ( -4.910 -2.835 -3.982) 6.928======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( 14.989 8.654 0.511) 17.316 0.728 ( 14.439 8.337 1.131) 16.711 1.559 ( 27.192 15.699 11.249) 33.353 2.067 ( 1.056 0.610 -0.064) 1.221 2.094 ( 3.748 2.164 -6.103) 7.482 3.044 ( -2.305 -1.331 -1.647) 3.130 3.601 ( 1.450 0.837 -0.139) 1.680 3.747 ( -1.450 -0.837 0.451) 1.734 3.958 ( 5.350 3.089 1.720) 6.413 4.567 ( -2.363 -1.364 -5.107) 5.791 4.872 ( -7.341 -4.238 4.641) 9.664 5.549 ( -4.940 -2.852 -10.157) 11.649======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 15.576 8.993 -2.237) 18.124 1.043 ( 13.975 8.068 -4.360) 16.715 2.086 ( 12.332 7.120 -9.236) 16.973 2.092 ( 1.048 0.605 1.341) 1.806 2.231 ( 14.851 8.574 9.536) 19.622 3.006 ( -1.115 -0.644 2.618) 2.918 3.642 ( 2.284 1.319 -0.287) 2.653 3.718 ( -1.176 -0.679 0.360) 1.405 4.063 ( 3.231 1.865 1.029) 3.870 4.496 ( -2.662 -1.537 -3.351) 4.548 4.653 ( -13.129 -7.580 7.750) 17.026 5.405 ( -4.996 -2.884 -11.228) 12.624======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( 12.585 7.266 -7.899) 16.540 1.331 ( 14.321 8.268 -4.147) 17.049 2.121 ( 0.887 0.512 2.980) 3.151 2.203 ( 5.293 3.056 -7.221) 9.460 2.635 ( 13.043 7.530 5.288) 15.962 3.016 ( 1.000 0.578 8.067) 8.149 3.697 ( 0.800 0.462 1.420) 1.694 3.702 ( 1.554 0.897 -1.582) 2.393 4.099 ( -0.075 -0.043 -0.973) 0.977 4.351 ( -13.315 -7.687 5.373) 16.287 4.457 ( -1.152 -0.665 -1.981) 2.387 5.264 ( -4.879 -2.817 -8.549) 10.238======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( 11.173 6.450 -8.994) 15.727 1.606 ( 11.319 6.535 -5.654) 14.240 2.148 ( 0.400 0.231 4.650) 4.673 2.314 ( 5.852 3.379 -2.745) 7.294 2.765 ( -1.447 -0.835 3.979) 4.316 3.100 ( 2.574 1.486 6.781) 7.404 3.695 ( 0.041 0.024 0.401) 0.404 3.763 ( 2.762 1.595 -0.666) 3.258 4.061 ( -2.504 -1.446 -2.147) 3.601 4.100 ( -9.107 -5.258 3.541) 11.096 4.487 ( 4.324 2.496 -1.713) 5.279 5.132 ( -5.271 -3.043 -5.072) 7.923======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 9.355 5.401 -7.829) 13.341 1.796 ( 7.329 4.231 -6.168) 10.472 2.160 ( -0.861 -0.497 5.512) 5.601 2.427 ( 3.971 2.293 -0.772) 4.650 2.678 ( -5.971 -3.448 3.480) 7.723 3.114 ( -1.948 -1.125 3.812) 4.426 3.700 ( 0.212 0.123 0.323) 0.405 3.813 ( 1.738 1.003 -0.508) 2.070 3.972 ( -3.244 -1.873 1.194) 3.932 4.006 ( -1.702 -0.983 -1.034) 2.221 4.632 ( 8.315 4.800 -0.112) 9.602 4.989 ( -6.559 -3.787 -2.727) 8.050======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 3.174 1.833 -4.216) 5.587 1.907 ( 3.790 2.188 -3.304) 5.483 2.133 ( -2.960 -1.709 3.968) 5.237 2.457 ( -0.407 -0.235 -0.354) 0.589 2.573 ( -3.132 -1.808 -3.137) 4.788 3.097 ( -0.078 -0.045 5.215) 5.216 3.704 ( -0.032 -0.019 0.345) 0.347 3.833 ( 0.131 0.076 -0.322) 0.356 3.932 ( -0.719 -0.415 -0.956) 1.266 3.996 ( 0.792 0.457 1.236) 1.538 4.785 ( -2.467 -1.424 -0.916) 2.992 4.866 ( 3.535 2.041 0.727) 4.146======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( -5.065 -2.924 5.189) 7.818 1.898 ( -3.921 -2.264 3.446) 5.690 2.066 ( -2.114 -1.220 -3.260) 4.072 2.439 ( -3.082 -1.779 0.423) 3.584 2.539 ( 4.082 2.357 -10.479) 11.491 3.116 ( -0.957 -0.553 3.574) 3.741 3.700 ( -0.353 -0.204 0.310) 0.513 3.817 ( -1.458 -0.842 -0.072) 1.685 3.937 ( 2.050 1.184 -2.193) 3.227 4.041 ( 2.375 1.371 2.223) 3.531 4.629 ( -7.009 -4.047 -0.425) 8.104 5.044 ( 8.038 4.640 2.928) 9.732======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -11.903 -6.872 7.811) 15.809 1.740 ( -10.230 -5.907 9.972) 15.459 2.040 ( 0.620 0.358 -7.096) 7.132 2.359 ( -3.257 -1.880 1.788) 4.164 2.641 ( 6.022 3.477 -9.521) 11.790 3.005 ( -9.721 -5.613 -2.593) 11.521 3.691 ( -0.481 -0.277 -0.065) 0.559 3.773 ( -2.328 -1.344 0.405) 2.718 4.038 ( 7.992 4.614 -2.844) 9.657 4.096 ( 1.610 0.930 1.311) 2.275 4.512 ( -3.159 -1.824 0.991) 3.780 5.227 ( 7.341 4.239 4.685) 9.685======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( -15.488 -8.942 7.769) 19.499 1.499 ( -14.017 -8.092 10.491) 19.288 2.035 ( 0.686 0.396 -6.265) 6.315 2.307 ( -2.698 -1.558 2.666) 4.100 2.581 ( -17.073 -9.857 1.266) 19.755 2.823 ( 3.316 1.914 -12.609) 13.177 3.673 ( -1.292 -0.746 -1.195) 1.912 3.731 ( -1.206 -0.696 1.486) 2.037 4.102 ( -1.225 -0.707 -0.688) 1.573 4.264 ( 12.336 7.122 -3.758) 14.732 4.493 ( 0.841 0.485 1.789) 2.036 5.401 ( 6.815 3.935 5.776) 9.762======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( -16.863 -9.736 8.055) 21.072 1.185 ( -16.541 -9.550 9.673) 21.410 2.028 ( -25.235 -14.570 -7.043) 29.978 2.031 ( 0.512 0.296 -5.229) 5.263 2.283 ( -5.024 -2.901 6.611) 8.795 2.920 ( 5.965 3.444 -5.754) 8.975 3.630 ( -1.859 -1.074 -1.327) 2.524 3.732 ( 0.555 0.321 1.496) 1.628 4.038 ( -3.919 -2.263 -1.575) 4.792 4.509 ( 7.216 4.166 -5.438) 9.950 4.573 ( 8.429 4.867 2.486) 10.046 5.560 ( 5.697 3.289 5.151) 8.355======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( -16.690 -9.636 9.440) 21.460 0.828 ( -17.766 -10.257 9.124) 22.452 1.382 ( -29.821 -17.217 -5.375) 34.851 2.028 ( 0.453 0.262 -4.276) 4.308 2.189 ( -5.003 -2.889 2.905) 6.466 3.032 ( 4.865 2.809 -2.348) 6.089 3.591 ( -1.176 -0.679 -1.083) 1.737 3.755 ( 1.041 0.601 1.196) 1.696 3.930 ( -5.023 -2.900 -1.408) 5.968 4.599 ( 3.664 2.115 -2.308) 4.819 4.807 ( 9.848 5.686 -1.490) 11.468 5.678 ( 3.690 2.130 2.578) 4.980======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.501 ( -0.000 21.342 5.476) 22.033 0.558 ( -0.000 15.517 16.113) 22.369 0.829 ( -0.000 25.010 21.037) 32.681 1.987 ( 0.000 -1.342 -5.331) 5.498 2.079 ( 0.000 5.082 -2.431) 5.634 3.106 ( 0.000 -6.403 -1.857) 6.667 3.564 ( 0.000 0.254 -0.858) 0.894 3.790 ( -0.000 -0.631 1.327) 1.469 3.817 ( -0.000 4.041 -0.795) 4.119 4.549 ( 0.000 7.030 -20.215) 21.402 4.865 ( -0.000 6.664 -2.856) 7.250 5.714 ( 0.000 -2.591 -3.259) 4.163======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( -2.669 16.170 14.637) 21.974 0.764 ( 3.960 22.128 0.480) 22.484 1.362 ( 20.948 21.815 13.112) 32.965 1.988 ( 3.552 -1.230 -5.373) 6.557 2.121 ( -0.497 5.819 -3.044) 6.586 3.033 ( -0.750 -4.209 -3.585) 5.580 3.580 ( 1.429 0.314 -0.521) 1.553 3.767 ( -1.491 -0.506 0.696) 1.722 3.910 ( 4.678 4.107 0.878) 6.286 4.543 ( 0.727 -1.739 -9.112) 9.305 4.889 ( -0.115 -4.845 2.257) 5.346 5.610 ( -6.871 -1.616 -6.789) 9.794======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 5.670 13.857 8.268) 17.103 1.047 ( 5.619 20.115 -3.380) 21.157 1.898 ( 15.392 11.558 -2.724) 19.440 2.087 ( 9.770 6.544 4.474) 12.581 2.158 ( 0.769 4.728 -1.789) 5.113 2.989 ( 0.825 -3.372 -0.804) 3.563 3.612 ( 2.069 0.541 -0.238) 2.151 3.740 ( -1.504 -0.046 0.456) 1.572 4.026 ( 4.040 2.612 1.186) 4.955 4.496 ( -0.858 -2.742 -4.623) 5.443 4.772 ( -6.827 -9.258 6.585) 13.254 5.441 ( -7.342 -2.353 -10.070) 12.682======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 9.016 10.664 2.089) 14.120 1.319 ( 6.604 17.744 -5.705) 19.774 2.070 ( 6.360 1.863 -5.094) 8.358 2.180 ( 0.120 5.055 -3.336) 6.058 2.501 ( 15.475 11.104 7.201) 20.363 2.995 ( 2.817 -2.250 4.163) 5.508 3.658 ( 2.861 0.568 0.061) 2.917 3.721 ( -1.359 0.840 0.274) 1.621 4.086 ( 1.266 0.238 -0.478) 1.374 4.442 ( -1.512 -1.954 -2.377) 3.428 4.544 ( -11.826 -7.395 6.089) 15.219 5.273 ( -4.957 -4.460 -9.387) 11.514======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 9.507 7.744 -2.851) 12.589 1.574 ( 6.556 15.296 -5.984) 17.685 2.160 ( 1.993 2.481 1.709) 3.612 2.250 ( 4.344 4.603 -3.095) 7.045 2.751 ( 4.509 1.710 1.847) 5.164 3.076 ( 4.683 1.102 7.051) 8.536 3.706 ( 0.488 0.020 1.698) 1.767 3.724 ( 1.869 1.937 -1.068) 2.896 4.072 ( -1.395 -1.703 -2.010) 2.982 4.273 ( -13.154 -2.958 3.995) 14.062 4.443 ( 1.845 0.647 -2.230) 2.966 5.134 ( -2.910 -6.150 -5.881) 8.993======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 9.113 5.413 -4.981) 11.711 1.788 ( 4.762 12.679 -6.069) 14.841 2.200 ( -0.838 2.106 4.470) 5.012 2.375 ( 5.325 3.909 -1.147) 6.704 2.745 ( -3.751 -2.666 1.631) 4.882 3.142 ( -0.077 -0.197 4.324) 4.329 3.711 ( -0.460 1.005 1.034) 1.514 3.783 ( 2.756 1.227 -0.376) 3.040 4.014 ( -2.026 -1.904 -1.803) 3.314 4.085 ( -8.929 1.432 1.562) 9.177 4.534 ( 7.159 3.042 -0.862) 7.826 5.009 ( -3.176 -7.013 -3.008) 8.266======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 6.955 2.429 -5.205) 9.020 1.940 ( 2.329 9.982 -5.084) 11.442 2.195 ( -3.175 0.295 5.128) 6.039 2.465 ( 1.622 2.096 -0.552) 2.707 2.625 ( -6.433 -1.917 -2.013) 7.008 3.134 ( -1.404 0.645 5.624) 5.832 3.714 ( -0.528 0.573 0.475) 0.913 3.826 ( 1.143 0.779 -0.415) 1.445 3.974 ( -1.763 1.284 -0.813) 2.327 4.007 ( -2.911 1.706 0.895) 3.491 4.710 ( 9.287 2.803 0.286) 9.705 4.868 ( -4.320 -7.046 -1.469) 8.394======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 2.154 -2.155 -2.175) 3.743 2.017 ( -1.946 5.952 -0.498) 6.282 2.129 ( -5.314 -0.806 2.638) 5.987 2.470 ( -1.919 -0.310 -0.281) 1.965 2.522 ( -2.779 2.442 -7.713) 8.554 3.154 ( -0.895 2.023 6.240) 6.620 3.704 ( -0.606 -0.595 -0.143) 0.862 3.830 ( -0.941 -0.266 -0.182) 0.995 3.971 ( -2.062 5.691 -1.401) 6.213 4.020 ( 2.024 0.707 2.004) 2.935 4.689 ( -5.935 -5.923 -1.013) 8.446 4.920 ( 10.355 0.939 1.767) 10.547======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( -4.803 -7.922 5.234) 10.640 1.959 ( -9.750 0.142 5.355) 11.125 2.062 ( -2.970 3.744 -3.826) 6.121 2.392 ( -3.197 -2.936 -0.477) 4.367 2.564 ( 3.764 6.244 -9.703) 12.137 3.119 ( -7.428 -1.181 2.576) 7.950 3.685 ( -0.097 -1.600 -0.529) 1.688 3.796 ( -2.063 -0.936 0.409) 2.302 4.022 ( 1.426 7.829 -1.738) 8.145 4.077 ( 2.200 1.612 1.431) 3.080 4.549 ( -4.164 -3.804 0.087) 5.641 5.107 ( 10.498 -0.119 3.064) 10.936======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( -11.442 -11.105 8.293) 17.973 1.768 ( -14.191 -0.881 5.792) 15.353 2.049 ( -2.148 4.246 -5.053) 6.941 2.329 ( -1.622 -2.541 1.358) 3.306 2.671 ( 4.462 4.468 -5.570) 8.420 2.871 ( -16.667 -5.642 -3.785) 17.998 3.667 ( -0.065 -1.952 -0.813) 2.116 3.757 ( -1.869 -0.230 1.119) 2.191 4.106 ( 0.575 -0.270 0.195) 0.665 4.175 ( 6.331 9.922 -2.632) 12.061 4.489 ( -0.339 -1.187 1.009) 1.594 5.289 ( 10.287 -0.451 3.865) 10.998======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( -15.008 -12.066 8.060) 20.875 1.505 ( -18.042 -0.827 5.414) 18.855 2.038 ( -1.569 3.278 -5.013) 6.192 2.250 ( -8.807 -4.235 -1.605) 9.903 2.431 ( -20.017 -6.054 2.893) 21.112 2.819 ( 7.130 3.241 -6.148) 9.957 3.636 ( -1.008 -1.677 -0.995) 2.195 3.741 ( -0.654 0.539 1.289) 1.543 4.078 ( -2.831 -0.882 -0.963) 3.118 4.397 ( 9.587 7.748 -4.046) 12.973 4.515 ( 3.489 0.506 2.238) 4.176 5.461 ( 9.242 -0.521 2.985) 9.726======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( -15.965 -11.241 8.151) 21.158 1.181 ( -20.798 -1.821 2.814) 21.067 1.792 ( -31.104 -4.657 -0.291) 31.452 2.030 ( -0.978 2.474 -4.408) 5.148 2.250 ( -4.786 -3.218 1.425) 5.941 2.952 ( 6.416 2.436 -2.075) 7.169 3.603 ( -1.229 -0.498 -0.759) 1.528 3.748 ( 0.498 0.146 0.923) 1.059 3.999 ( -5.137 -0.596 -0.702) 5.219 4.538 ( 4.372 1.838 -3.877) 6.126 4.679 ( 10.789 3.790 2.091) 11.625 5.596 ( 7.048 -1.290 -0.025) 7.165======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( -0.000 21.252 3.688) 21.570 0.959 ( -0.000 16.847 12.374) 20.903 1.450 ( -0.000 28.107 12.126) 30.612 1.921 ( 0.000 -1.524 -7.088) 7.250 2.176 ( 0.000 6.140 -4.229) 7.456 2.978 ( 0.000 -5.310 -3.476) 6.347 3.570 ( 0.000 1.109 -1.041) 1.521 3.781 ( -0.000 -1.007 1.489) 1.798 3.911 ( -0.000 5.505 -0.392) 5.519 4.484 ( 0.000 -2.514 -8.914) 9.262 4.839 ( -0.000 -7.821 4.180) 8.868 5.637 ( 0.000 -2.527 -6.122) 6.623======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( -4.165 17.947 12.888) 22.485 1.184 ( 1.660 20.468 -0.953) 20.557 1.823 ( 6.819 14.994 -2.518) 16.663 1.981 ( 11.166 8.262 3.574) 14.343 2.208 ( -0.841 5.028 -5.423) 7.443 2.927 ( 0.936 -4.819 -0.893) 4.989 3.591 ( 1.143 1.243 -0.455) 1.749 3.764 ( -1.134 -0.246 0.657) 1.334 3.994 ( 3.247 3.789 0.369) 5.003 4.442 ( 1.219 -3.910 -5.677) 7.000 4.751 ( -1.501 -10.875 5.013) 12.068 5.526 ( -7.113 -2.820 -7.101) 10.439======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( -1.473 16.400 9.305) 18.914 1.401 ( 3.157 18.207 -3.918) 18.890 1.963 ( 6.950 4.042 -7.324) 10.876 2.222 ( -0.477 4.223 -4.876) 6.468 2.389 ( 14.368 14.442 5.820) 21.187 2.921 ( 3.191 -3.413 3.258) 5.696 3.627 ( 1.780 1.070 0.607) 2.164 3.751 ( -0.891 0.939 -0.023) 1.295 4.064 ( 1.755 1.009 -0.387) 2.061 4.414 ( 1.168 -3.280 -2.918) 4.543 4.613 ( -4.306 -10.047 4.820) 11.946 5.326 ( -9.302 -4.065 -7.690) 12.735======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.409 ( 1.468 12.580 3.259) 13.078 1.624 ( 4.369 16.605 -3.218) 17.469 2.113 ( 6.817 5.036 -2.978) 8.983 2.254 ( 0.808 4.344 -2.126) 4.904 2.671 ( 7.436 2.731 -0.297) 7.927 3.012 ( 6.419 2.168 6.065) 9.094 3.674 ( 2.341 0.719 1.735) 3.001 3.751 ( -0.826 2.013 -0.201) 2.185 4.066 ( -0.649 -1.498 -1.798) 2.429 4.398 ( -0.226 -1.989 -0.003) 2.002 4.456 ( -6.334 -3.671 1.637) 7.502 5.117 ( -6.272 -6.713 -6.119) 11.038======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( 3.644 10.013 0.388) 10.662 1.832 ( 3.646 13.887 -3.387) 14.751 2.236 ( 1.955 3.994 1.687) 4.756 2.331 ( 3.839 4.620 -0.395) 6.020 2.740 ( 2.192 -1.953 -1.119) 3.142 3.134 ( 2.660 1.619 2.579) 4.043 3.724 ( 1.448 0.493 2.651) 3.061 3.764 ( 0.416 2.368 -0.490) 2.453 4.016 ( -1.655 -2.494 -2.003) 3.602 4.278 ( -9.846 1.385 1.359) 10.036 4.459 ( 4.184 2.052 -1.344) 4.850 4.958 ( -2.201 -8.996 -3.092) 9.764======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 3.491 7.552 -1.288) 8.419 1.989 ( 2.227 10.444 -3.540) 11.250 2.265 ( -2.381 1.123 4.603) 5.302 2.437 ( 3.654 2.219 -0.177) 4.279 2.715 ( -4.072 1.776 -3.432) 5.614 3.165 ( 0.387 0.669 2.855) 2.958 3.733 ( -1.015 0.128 1.197) 1.575 3.807 ( 1.948 1.191 -0.193) 2.291 3.975 ( -0.046 -1.147 -0.718) 1.354 4.156 ( -8.409 5.222 -0.015) 9.899 4.583 ( 7.894 1.908 -0.068) 8.122 4.834 ( -1.689 -9.269 -1.349) 9.518======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( 0.936 3.528 -2.142) 4.232 2.086 ( 0.253 6.701 -1.748) 6.929 2.215 ( -4.510 -1.190 4.085) 6.201 2.468 ( 0.006 -2.348 -1.013) 2.557 2.644 ( -7.033 7.813 -6.002) 12.105 3.206 ( 0.547 2.859 5.685) 6.387 3.709 ( -1.196 -1.174 -0.405) 1.724 3.835 ( 0.441 0.140 -0.128) 0.480 3.993 ( 2.177 0.168 1.255) 2.518 4.100 ( -5.432 7.676 -0.644) 9.425 4.700 ( -2.617 -6.379 -0.935) 6.958 4.747 ( 9.189 -2.164 0.793) 9.474======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( -3.216 -2.202 0.386) 3.916 2.095 ( -5.008 0.678 1.535) 5.281 2.154 ( -3.171 3.231 1.198) 4.683 2.404 ( -2.556 -3.649 -1.885) 4.838 2.613 ( -4.011 8.867 -6.827) 11.887 3.234 ( -3.744 2.302 4.914) 6.592 3.672 ( -0.889 -2.039 -1.105) 2.484 3.824 ( -1.450 -0.321 0.330) 1.522 4.033 ( 2.044 -0.311 1.400) 2.497 4.129 ( -1.453 10.293 -1.023) 10.445 4.574 ( -3.866 -4.980 -0.433) 6.320 4.906 ( 11.567 -3.366 1.509) 12.141======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( -8.237 -6.245 4.259) 11.179 1.966 ( -9.800 -0.539 0.407) 9.823 2.149 ( -3.822 5.225 0.405) 6.486 2.326 ( -1.673 -3.587 -0.303) 3.969 2.642 ( 1.132 6.274 -6.510) 9.112 3.106 ( -13.820 -1.259 1.549) 13.963 3.644 ( 0.089 -1.721 -0.362) 1.761 3.793 ( -1.996 0.009 0.725) 2.123 4.073 ( 2.565 -0.325 0.325) 2.606 4.217 ( 0.524 9.653 -1.459) 9.777 4.491 ( -1.677 -2.220 0.163) 2.787 5.081 ( 12.723 -3.652 1.801) 13.359======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( -13.874 -6.780 5.042) 16.244 1.764 ( -13.483 -1.205 -0.432) 13.543 2.119 ( -4.596 4.328 -2.511) 6.794 2.280 ( -0.989 -2.852 1.495) 3.368 2.723 ( 1.505 1.921 -7.609) 7.991 2.785 ( -18.798 -0.234 4.923) 19.433 3.631 ( -0.239 -0.846 0.072) 0.882 3.766 ( -1.469 0.080 0.642) 1.605 4.096 ( 0.167 -0.419 -0.470) 0.652 4.335 ( 4.966 6.541 -1.402) 8.331 4.475 ( 1.324 -0.917 0.489) 1.683 5.266 ( 12.272 -2.647 0.384) 12.560======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -16.802 -4.020 4.096) 17.755 1.478 ( -17.889 -3.048 -3.034) 18.399 2.074 ( -3.465 2.280 -3.909) 5.699 2.213 ( -9.237 1.104 2.956) 9.761 2.360 ( -20.214 -1.583 -0.797) 20.292 2.870 ( 5.925 3.099 1.800) 6.925 3.620 ( -0.929 0.541 0.160) 1.087 3.748 ( -0.561 -0.657 0.225) 0.893 4.069 ( -2.958 0.470 -0.153) 2.999 4.472 ( 4.709 2.236 -3.414) 6.232 4.537 ( 8.285 -0.884 3.742) 9.134 5.428 ( 9.889 -2.328 -3.052) 10.608======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( -0.000 16.798 7.713) 18.484 1.355 ( -0.000 18.933 1.670) 19.007 1.852 ( 0.000 -1.084 -6.182) 6.277 2.039 ( -0.000 26.219 6.006) 26.898 2.234 ( 0.000 3.151 -8.045) 8.640 2.875 ( -0.000 -4.321 2.638) 5.062 3.597 ( -0.000 2.222 -0.850) 2.379 3.771 ( -0.000 -0.788 1.109) 1.361 4.005 ( -0.000 4.010 -0.418) 4.032 4.367 ( 0.000 -5.532 -3.863) 6.747 4.669 ( 0.000 -10.848 3.745) 11.476 5.536 ( 0.000 -4.128 -6.302) 7.534======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( -3.934 14.540 0.783) 15.083 1.532 ( 0.919 16.814 4.290) 17.377 1.876 ( 5.185 3.095 -5.365) 8.078 2.231 ( 0.654 2.459 -10.094) 10.410 2.366 ( 7.815 17.477 4.917) 19.766 2.868 ( 1.531 -1.447 6.729) 7.050 3.624 ( 0.700 2.308 0.099) 2.414 3.765 ( -0.213 0.084 0.257) 0.344 4.050 ( 1.313 2.014 -0.811) 2.537 4.321 ( 2.742 -6.702 -1.182) 7.337 4.570 ( -1.362 -8.651 1.932) 8.968 5.411 ( -6.988 -4.955 -6.123) 10.529======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( -1.734 9.807 -1.387) 10.056 1.737 ( 1.502 17.080 5.113) 17.892 2.029 ( 8.343 5.834 -4.280) 11.044 2.255 ( 2.236 3.214 -6.192) 7.326 2.578 ( 4.917 1.432 0.476) 5.143 2.973 ( 5.032 6.783 6.982) 10.958 3.663 ( 1.137 1.834 1.844) 2.838 3.772 ( 0.187 1.184 -0.429) 1.273 4.061 ( -0.629 -0.503 -1.806) 1.978 4.324 ( 4.695 -5.793 0.667) 7.486 4.480 ( -1.993 -4.057 0.302) 4.530 5.190 ( -10.342 -5.905 -5.405) 13.078======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( 1.620 9.518 0.684) 9.679 1.919 ( 1.030 13.191 2.196) 13.412 2.212 ( 6.619 6.026 -1.197) 9.031 2.329 ( 2.666 4.518 -1.061) 5.352 2.630 ( 5.622 -4.257 -1.495) 7.208 3.127 ( 2.530 5.723 1.410) 6.414 3.708 ( 1.615 1.018 3.021) 3.574 3.787 ( 0.001 1.784 -0.378) 1.823 4.017 ( -1.989 -1.946 -2.031) 3.445 4.352 ( 2.435 -3.143 1.381) 4.209 4.442 ( -0.560 1.967 -1.256) 2.400 4.947 ( -8.373 -7.638 -3.456) 11.848======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 1.736 9.452 1.909) 9.798 2.044 ( 1.351 8.546 -0.681) 8.679 2.317 ( -0.398 2.252 2.856) 3.659 2.399 ( 2.582 1.021 1.315) 3.072 2.724 ( 6.280 3.924 -4.141) 8.484 3.169 ( -0.449 1.690 -1.344) 2.205 3.744 ( 0.698 -0.290 2.325) 2.445 3.801 ( -0.091 1.394 -0.144) 1.404 3.965 ( -1.020 -1.503 -1.194) 2.173 4.330 ( -4.906 3.218 0.003) 5.867 4.497 ( 4.191 2.159 -0.491) 4.740 4.764 ( -2.702 -9.225 -1.123) 9.678======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( -1.113 7.112 1.096) 7.282 2.130 ( 1.059 5.539 -1.040) 5.734 2.279 ( -3.745 -2.242 3.443) 5.559 2.432 ( 1.174 -2.122 -0.355) 2.451 2.822 ( -3.422 11.399 -5.465) 13.096 3.201 ( 3.692 1.211 1.805) 4.284 3.727 ( -2.147 -0.836 0.198) 2.313 3.816 ( 1.283 -0.624 0.316) 1.461 3.959 ( 1.532 -0.692 0.440) 1.738 4.277 ( -6.416 7.085 -0.597) 9.577 4.593 ( 6.353 -1.563 0.261) 6.548 4.658 ( -0.583 -7.263 -0.349) 7.295======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( -4.927 2.005 0.509) 5.343 2.164 ( -2.071 1.514 0.241) 2.577 2.219 ( -1.743 0.614 1.826) 2.598 2.399 ( -1.329 -3.163 -1.066) 3.593 2.802 ( -8.483 10.084 -5.037) 14.108 3.292 ( 2.003 2.452 3.232) 4.524 3.675 ( -2.206 -1.376 -0.723) 2.698 3.827 ( 0.751 -1.077 0.393) 1.370 3.990 ( 2.480 -1.112 1.019) 2.903 4.269 ( -3.604 9.269 -0.774) 9.975 4.574 ( -1.676 -4.901 -0.231) 5.185 4.694 ( 8.586 -4.265 0.528) 9.601======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( -7.271 -1.861 1.356) 7.627 2.097 ( -6.163 -0.025 -0.606) 6.193 2.234 ( -0.306 2.722 2.829) 3.938 2.330 ( -3.135 -2.630 -0.853) 4.180 2.733 ( -6.444 6.082 -3.957) 9.704 3.281 ( -6.352 0.066 0.871) 6.412 3.637 ( -0.852 -0.618 0.485) 1.159 3.819 ( -0.907 -0.446 0.272) 1.047 4.023 ( 2.650 -0.960 0.045) 2.819 4.309 ( -1.750 7.084 -0.737) 7.334 4.505 ( -2.338 -1.841 -0.063) 2.976 4.827 ( 12.414 -4.237 0.373) 13.123======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( -10.423 -2.338 1.252) 10.755 1.951 ( -10.529 -0.555 -2.222) 10.776 2.237 ( -5.572 0.685 -0.453) 5.632 2.265 ( 0.376 -0.365 2.816) 2.864 2.709 ( -0.345 2.998 -2.075) 3.662 3.094 ( -14.733 -0.496 0.625) 14.755 3.634 ( -0.163 0.498 1.508) 1.597 3.792 ( -1.686 -0.503 -0.012) 1.759 4.062 ( 2.733 -0.289 -0.833) 2.872 4.333 ( 0.355 1.138 0.184) 1.206 4.465 ( -1.098 -0.283 -0.381) 1.196 5.022 ( 13.537 -1.376 -1.371) 13.676======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( -14.187 0.373 -0.166) 14.193 1.715 ( -15.044 -2.080 -5.140) 16.033 2.148 ( -4.373 -0.429 -0.105) 4.395 2.264 ( -1.566 0.666 -0.068) 1.703 2.697 ( -9.539 1.065 -2.790) 9.995 2.884 ( -6.595 3.882 7.900) 10.999 3.644 ( -0.401 1.608 1.350) 2.138 3.756 ( -1.524 -1.166 -0.416) 1.964 4.092 ( 0.737 0.367 -0.894) 1.215 4.369 ( 5.792 -3.967 2.221) 7.363 4.460 ( 0.882 -0.104 -1.042) 1.369 5.220 ( 11.427 -0.393 -4.561) 12.310======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 0.000 9.407 -5.044) 10.674 1.663 ( -0.000 12.191 -4.366) 12.949 1.855 ( -0.000 5.419 4.536) 7.067 2.210 ( 0.000 2.154 -10.053) 10.281 2.477 ( -0.000 12.080 4.747) 12.979 2.892 ( -0.000 4.765 9.474) 10.605 3.645 ( -0.000 3.004 -0.305) 3.020 3.766 ( -0.000 -0.247 0.272) 0.367 4.055 ( 0.000 1.725 -1.198) 2.100 4.215 ( 0.000 -9.386 1.212) 9.464 4.518 ( 0.000 -4.651 -0.501) 4.678 5.400 ( 0.000 -6.274 -5.564) 8.386======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.624 ( -2.216 4.420 -7.578) 9.048 1.855 ( 9.313 9.182 -4.450) 13.815 1.955 ( 0.454 8.075 4.201) 9.114 2.232 ( 1.673 4.611 -5.140) 7.105 2.553 ( 0.258 -0.800 4.896) 4.968 3.025 ( 2.179 11.803 7.056) 13.923 3.677 ( 0.411 2.706 0.956) 2.899 3.769 ( 0.568 0.365 -0.443) 0.808 4.064 ( -0.347 0.425 -2.010) 2.084 4.164 ( 4.686 -9.263 2.338) 10.641 4.481 ( -1.013 -0.457 -1.391) 1.780 5.262 ( -6.497 -7.001 -4.932) 10.749======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 3.205 5.276 -3.025) 6.875 2.032 ( 2.728 3.164 -1.872) 4.578 2.117 ( 9.227 11.534 1.016) 14.805 2.315 ( 3.059 5.600 -1.858) 6.646 2.528 ( 0.308 -5.742 3.991) 6.999 3.176 ( 0.809 9.243 1.510) 9.401 3.712 ( 0.461 1.444 2.827) 3.208 3.788 ( 1.074 0.925 -0.888) 1.673 4.033 ( -1.912 -0.828 -2.054) 2.925 4.207 ( 7.930 -6.199 1.387) 10.160 4.473 ( -0.870 3.116 -0.974) 3.378 5.036 ( -10.082 -7.087 -3.662) 12.856======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 5.323 6.850 0.722) 8.705 2.096 ( 1.374 4.013 -0.565) 4.279 2.335 ( 3.531 6.057 1.906) 7.266 2.385 ( -0.267 -1.296 2.617) 2.932 2.573 ( 11.436 2.005 -1.932) 11.770 3.223 ( -2.698 4.625 -2.735) 6.012 3.733 ( 0.499 -0.519 2.680) 2.775 3.813 ( 0.606 1.097 -0.449) 1.332 3.984 ( -2.526 -0.129 -1.557) 2.970 4.298 ( 7.434 -2.990 0.511) 8.029 4.501 ( -0.284 4.277 -0.300) 4.297 4.791 ( -9.387 -6.588 -1.802) 11.609======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( 2.222 6.437 1.738) 7.028 2.154 ( 1.218 3.788 -0.280) 3.989 2.315 ( -3.181 -4.369 2.115) 5.804 2.400 ( 0.670 -0.087 0.598) 0.903 2.853 ( 12.347 9.160 -1.726) 15.471 3.187 ( -3.086 1.583 -2.723) 4.409 3.738 ( 0.491 -1.236 1.131) 1.746 3.813 ( -1.522 -0.085 0.072) 1.527 3.947 ( -0.991 -0.081 -0.406) 1.074 4.382 ( 2.620 1.592 -0.043) 3.066 4.522 ( -0.589 0.310 -0.352) 0.753 4.620 ( -3.118 -4.354 -0.024) 5.355======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( -4.307 2.591 1.216) 5.171 2.198 ( -0.096 1.872 0.274) 1.894 2.238 ( -1.226 -2.192 0.342) 2.534 2.389 ( -0.649 -1.464 -0.004) 1.602 3.021 ( -6.253 9.822 -2.839) 11.984 3.212 ( 8.488 -1.296 0.591) 8.607 3.721 ( -3.249 0.687 -0.377) 3.342 3.784 ( 1.460 -2.811 1.010) 3.324 3.949 ( 1.292 -0.479 0.148) 1.386 4.405 ( -3.379 5.886 -0.570) 6.811 4.514 ( 3.082 -4.240 0.148) 5.243 4.584 ( 0.901 -2.172 0.209) 2.361======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( -7.451 -0.715 0.824) 7.530 2.172 ( -3.089 0.035 -0.513) 3.132 2.238 ( 0.680 -0.833 1.235) 1.637 2.366 ( -1.591 0.744 0.573) 1.847 2.918 ( -10.155 2.692 -0.872) 10.542 3.305 ( 2.171 -1.928 -1.955) 3.500 3.670 ( -2.594 0.838 1.382) 3.057 3.807 ( 1.864 -0.557 0.085) 1.947 3.972 ( 2.124 -0.547 -0.480) 2.246 4.389 ( -2.885 0.682 -0.160) 2.969 4.524 ( -0.339 0.006 0.112) 0.357 4.626 ( 7.363 -0.522 -0.168) 7.384======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( -8.358 -0.023 -0.207) 8.361 2.088 ( -6.828 -0.385 -1.773) 7.065 2.232 ( 0.144 -3.520 2.419) 4.274 2.352 ( -3.109 3.592 1.566) 5.002 2.777 ( -6.237 -0.813 0.693) 6.327 3.240 ( -5.058 -2.983 -3.178) 6.677 3.662 ( -1.066 1.561 2.812) 3.388 3.811 ( -0.990 -0.129 -0.528) 1.129 4.008 ( 2.786 0.013 -1.438) 3.135 4.321 ( -1.443 -6.171 0.555) 6.362 4.506 ( -2.655 2.049 -0.048) 3.354 4.808 ( 11.710 2.988 -1.619) 12.193======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( -10.464 2.654 -2.866) 11.169 1.912 ( -12.072 -1.384 -4.700) 13.029 2.187 ( -2.049 -3.583 3.465) 5.389 2.331 ( -3.941 3.214 0.209) 5.090 2.729 ( 0.546 -0.965 2.680) 2.900 3.098 ( -8.742 0.393 0.928) 8.800 3.673 ( -0.471 1.686 2.572) 3.111 3.777 ( -2.217 -0.353 -0.887) 2.414 4.053 ( 2.979 -0.080 -1.772) 3.467 4.247 ( 1.726 -9.270 1.798) 9.599 4.481 ( -2.563 2.298 -0.927) 3.565 5.026 ( 11.190 2.668 -3.873) 12.138======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 0.000 1.570 -7.241) 7.409 1.722 ( 0.000 0.121 -12.038) 12.038 2.082 ( -0.000 10.367 6.250) 12.105 2.270 ( -0.000 7.129 -0.986) 7.197 2.547 ( -0.000 -4.641 6.609) 8.075 3.154 ( -0.000 13.162 5.399) 14.227 3.704 ( -0.000 2.858 0.511) 2.903 3.764 ( 0.000 0.222 -0.766) 0.798 4.039 ( 0.000 -8.820 2.990) 9.313 4.066 ( 0.000 0.316 -2.199) 2.221 4.497 ( 0.000 2.971 -1.486) 3.322 5.228 ( 0.000 -8.261 -4.514) 9.414======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 1.351 1.925 -4.709) 5.263 1.821 ( 11.592 -1.852 -9.302) 14.978 2.202 ( 1.408 9.634 4.821) 10.865 2.343 ( 0.507 6.160 0.499) 6.201 2.502 ( -1.102 -5.950 5.607) 8.249 3.276 ( -0.671 9.623 1.795) 9.812 3.732 ( -0.004 1.729 1.916) 2.581 3.773 ( 0.997 0.554 -1.329) 1.751 4.011 ( 4.010 -5.938 1.165) 7.259 4.064 ( 0.765 -0.406 -1.252) 1.522 4.530 ( -0.877 5.885 -0.635) 5.983 5.084 ( -5.521 -8.571 -3.637) 10.824======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 7.009 3.653 -0.430) 7.915 1.983 ( 11.512 -1.357 -5.401) 12.788 2.357 ( 4.383 8.258 3.350) 9.931 2.385 ( -0.608 -0.532 1.997) 2.154 2.460 ( 1.918 -1.657 2.017) 3.239 3.316 ( -3.044 5.266 -1.749) 6.329 3.737 ( -0.657 -0.653 2.052) 2.252 3.801 ( 1.532 1.043 -0.698) 1.981 4.019 ( -0.999 0.788 -1.563) 2.016 4.116 ( 8.519 -3.811 0.708) 9.359 4.571 ( -1.694 6.739 0.334) 6.956 4.875 ( -8.340 -7.544 -2.304) 11.480======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 7.388 2.570 0.253) 7.826 2.126 ( 6.255 1.484 -1.360) 6.571 2.325 ( -3.033 -4.124 1.615) 5.368 2.418 ( -1.166 1.293 0.555) 1.828 2.654 ( 15.462 3.527 1.251) 15.908 3.282 ( -4.690 3.240 -2.161) 6.096 3.721 ( -0.176 -1.500 0.812) 1.715 3.827 ( 0.415 0.548 -0.180) 0.710 3.989 ( -3.048 1.059 -0.849) 3.337 4.251 ( 9.774 -1.784 0.397) 9.943 4.591 ( -3.361 4.706 0.538) 5.808 4.672 ( -7.017 -4.954 -1.027) 8.651======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 2.830 -1.203 -0.511) 3.117 2.208 ( 2.139 0.610 -0.239) 2.238 2.240 ( -3.010 -1.198 0.102) 3.242 2.397 ( -1.165 -0.503 -0.308) 1.306 2.960 ( 16.529 0.261 1.121) 16.569 3.214 ( -6.429 2.402 0.135) 6.864 3.720 ( 1.539 -0.782 -0.115) 1.730 3.806 ( -3.332 -0.109 -0.422) 3.361 3.949 ( -1.641 0.267 0.074) 1.664 4.391 ( 7.293 -0.004 0.285) 7.299 4.521 ( -5.460 0.297 -0.210) 5.472 4.586 ( -2.063 -0.174 0.022) 2.071======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -3.479 -3.986 -0.551) 5.319 2.196 ( -0.396 -1.417 -0.040) 1.472 2.231 ( -0.895 0.277 -0.313) 0.987 2.391 ( 0.178 1.619 0.161) 1.636 3.066 ( -5.052 -6.698 1.642) 8.549 3.197 ( 5.199 1.324 -0.786) 5.423 3.729 ( -2.380 -1.226 0.401) 2.707 3.769 ( 1.685 2.677 -0.499) 3.202 3.945 ( 0.684 0.215 -0.179) 0.739 4.412 ( -3.205 -5.594 0.235) 6.451 4.513 ( 2.854 4.500 0.029) 5.329 4.580 ( 0.986 1.964 -0.167) 2.204======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( -5.053 -1.441 -0.191) 5.258 2.157 ( -2.876 -1.469 -0.679) 3.300 2.207 ( -0.449 -2.227 0.898) 2.442 2.420 ( -0.408 3.325 1.100) 3.526 2.875 ( -8.361 -7.317 2.371) 11.361 3.222 ( 0.365 -3.708 -3.653) 5.218 3.701 ( -1.055 0.746 1.672) 2.113 3.818 ( 0.743 1.419 -0.471) 1.670 3.969 ( 1.718 0.656 -1.106) 2.146 4.280 ( -3.331 -9.123 0.375) 9.719 4.582 ( -1.612 5.381 0.526) 5.642 4.679 ( 7.838 4.012 -0.999) 8.862======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( -6.899 2.709 -2.747) 7.904 2.052 ( -7.549 -1.895 -3.176) 8.406 2.183 ( -0.361 -3.257 3.902) 5.096 2.430 ( -3.094 3.232 0.917) 4.568 2.717 ( -2.224 -6.086 3.512) 7.370 3.159 ( -1.717 -3.090 -2.459) 4.306 3.703 ( -0.590 0.712 1.970) 2.176 3.815 ( -1.822 0.847 -0.584) 2.093 4.001 ( 2.114 0.095 -1.897) 2.842 4.148 ( -1.042 -10.150 0.861) 10.239 4.581 ( -4.604 5.468 0.258) 7.152 4.870 ( 10.143 3.266 -2.282) 10.897======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( 0.000 -1.597 -6.605) 6.795 1.671 ( 0.000 1.267 -2.809) 3.081 2.268 ( -0.000 5.590 2.320) 6.052 2.398 ( -0.000 3.911 1.697) 4.263 2.472 ( -0.000 -4.721 3.924) 6.139 3.371 ( -0.000 6.754 0.437) 6.768 3.753 ( -0.000 1.100 1.155) 1.595 3.765 ( 0.000 0.961 -1.390) 1.690 3.916 ( 0.000 -5.134 2.005) 5.511 4.063 ( 0.000 0.539 -1.667) 1.752 4.607 ( -0.000 8.323 0.214) 8.326 5.031 ( 0.000 -9.375 -3.128) 9.883======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( 5.000 1.343 -0.872) 5.250 1.768 ( 9.848 0.747 -1.312) 9.963 2.338 ( 3.201 2.454 0.079) 4.034 2.402 ( -0.645 -2.812 3.755) 4.735 2.456 ( -0.624 1.010 0.347) 1.236 3.398 ( -2.029 3.120 -1.771) 4.121 3.748 ( -0.868 -0.652 0.026) 1.086 3.787 ( 1.111 1.110 0.321) 1.603 3.936 ( 6.106 -2.260 0.866) 6.568 4.059 ( -0.588 0.542 -1.119) 1.376 4.679 ( -1.632 8.044 0.954) 8.263 4.898 ( -4.377 -7.802 -2.071) 9.183======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( 7.742 -0.080 -0.404) 7.753 1.985 ( 11.778 3.124 2.146) 12.372 2.341 ( -1.873 -2.290 -0.966) 3.112 2.436 ( 1.017 -2.610 -0.911) 2.945 2.472 ( 6.721 1.167 2.598) 7.300 3.366 ( -3.073 1.051 -1.634) 3.636 3.719 ( -1.056 -1.197 -0.674) 1.733 3.816 ( 1.199 0.357 0.560) 1.371 4.040 ( -1.556 1.421 -0.734) 2.232 4.069 ( 9.639 -0.855 0.591) 9.695 4.684 ( -3.024 -2.178 0.042) 3.727 4.758 ( -7.140 2.927 0.025) 7.717======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 6.709 -3.313 -1.186) 7.576 2.154 ( 4.144 -0.051 1.304) 4.345 2.286 ( -1.927 0.902 -2.542) 3.315 2.398 ( -0.700 -2.760 -1.158) 3.074 2.676 ( 15.497 -2.362 3.268) 16.013 3.315 ( -3.560 -0.147 1.225) 3.768 3.697 ( 0.137 -0.595 -1.681) 1.788 3.830 ( -0.019 -0.217 0.122) 0.250 4.000 ( -3.267 0.159 0.296) 3.284 4.251 ( 9.945 1.590 0.380) 10.078 4.580 ( -2.979 -4.184 -0.576) 5.168 4.690 ( -7.842 5.326 0.800) 9.513======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 2.157 -6.971 -1.970) 7.559 2.161 ( 1.334 -3.492 0.527) 3.775 2.273 ( -2.492 1.902 -2.354) 3.920 2.383 ( 1.742 -0.266 -1.146) 2.102 2.890 ( 11.654 -6.904 2.044) 13.699 3.249 ( -4.218 -1.043 3.739) 5.733 3.707 ( 1.692 0.039 -2.165) 2.748 3.810 ( -1.819 0.467 -0.188) 1.887 3.959 ( -1.744 0.680 0.866) 2.062 4.385 ( 2.842 -1.645 0.246) 3.293 4.525 ( -0.172 -0.312 0.023) 0.357 4.622 ( -4.100 5.158 0.241) 6.593======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.852 ( 0.851 -5.717 -0.100) 5.781 2.150 ( 0.660 -3.904 0.978) 4.079 2.222 ( -2.846 -0.359 -2.358) 3.713 2.429 ( 2.518 1.669 -0.695) 3.100 2.884 ( -1.893 -10.617 0.579) 10.800 3.196 ( -1.746 -1.920 1.809) 3.163 3.714 ( 0.017 -0.078 -1.286) 1.289 3.815 ( 1.057 1.208 0.241) 1.623 3.961 ( 0.191 1.312 0.689) 1.495 4.282 ( -6.282 -7.276 -0.054) 9.613 4.587 ( 5.755 1.400 -0.477) 5.942 4.670 ( -0.419 8.251 0.919) 8.313======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( -0.316 -0.547 -0.000) 0.632 2.102 ( -2.283 -3.955 -0.000) 4.566 2.172 ( -1.109 -1.920 -0.000) 2.218 2.478 ( 0.933 1.615 -0.000) 1.865 2.711 ( -5.039 -8.727 -0.000) 10.077 3.143 ( -1.764 -3.056 -0.000) 3.529 3.714 ( 0.050 0.087 -0.000) 0.100 3.835 ( 0.173 0.299 -0.000) 0.345 3.980 ( 0.464 0.804 -0.000) 0.929 4.106 ( -4.702 -8.144 -0.000) 9.404 4.714 ( 2.053 3.556 0.000) 4.106 4.735 ( 3.346 5.796 -0.000) 6.692======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( -0.000 3.565 3.216) 4.802 1.695 ( -0.000 1.524 1.747) 2.318 2.314 ( 0.000 -1.262 -1.474) 1.940 2.385 ( -0.000 -2.595 1.326) 2.915 2.470 ( -0.000 -0.076 0.108) 0.132 3.421 ( 0.000 -0.305 -3.361) 3.375 3.751 ( 0.000 -0.328 -1.312) 1.352 3.788 ( -0.000 0.442 1.285) 1.359 3.867 ( -0.000 -0.903 0.921) 1.290 4.069 ( 0.000 0.781 -0.725) 1.066 4.740 ( 0.000 -1.587 0.349) 1.625 4.895 ( -0.000 2.792 -0.141) 2.796======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 2.288 1.511 3.043) 4.096 1.844 ( 10.750 5.097 6.355) 13.488 2.299 ( 2.165 -5.060 -4.051) 6.834 2.366 ( 0.180 -1.626 0.063) 1.637 2.457 ( -0.270 -1.594 0.210) 1.630 3.383 ( -0.872 -3.150 -3.471) 4.767 3.727 ( -1.367 -0.849 -1.523) 2.215 3.801 ( 0.912 -0.243 1.301) 1.607 3.931 ( 6.674 1.292 0.315) 6.805 4.069 ( -0.719 0.837 -0.137) 1.112 4.668 ( -1.709 -7.613 -0.172) 7.804 4.931 ( -4.590 9.590 1.314) 10.713======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( 4.366 -1.798 1.557) 4.971 2.083 ( 6.759 2.498 4.234) 8.358 2.259 ( 3.193 -5.579 -5.899) 8.725 2.361 ( 0.603 -2.466 -0.038) 2.539 2.474 ( 5.806 -1.283 2.622) 6.498 3.325 ( -0.288 -5.100 -0.991) 5.204 3.691 ( -0.972 -0.703 -2.438) 2.718 3.817 ( 0.973 -0.738 0.839) 1.481 4.041 ( -0.590 0.024 0.747) 0.952 4.112 ( 8.511 3.644 0.200) 9.260 4.568 ( -1.908 -5.803 -0.035) 6.109 4.910 ( -8.967 8.529 1.292) 12.443======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 2.813 -6.532 -1.188) 7.211 2.092 ( 1.362 -6.428 -0.338) 6.580 2.305 ( 3.947 0.525 -3.687) 5.427 2.325 ( -1.316 -2.655 -1.077) 3.153 2.647 ( 12.014 -1.889 5.153) 13.208 3.268 ( -0.306 -6.048 1.969) 6.367 3.676 ( 0.800 -0.168 -3.243) 3.345 3.820 ( 0.055 -1.038 0.243) 1.067 4.011 ( -2.692 0.881 1.253) 3.097 4.298 ( 7.529 2.387 0.409) 7.909 4.504 ( -0.238 -3.297 0.073) 3.306 4.820 ( -10.307 7.755 1.150) 12.950======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( 3.120 -8.260 -0.684) 8.856 2.070 ( 2.964 -7.036 1.987) 7.889 2.259 ( -2.952 -1.425 -3.356) 4.692 2.367 ( 4.524 -0.809 -1.842) 4.951 2.775 ( 4.597 -4.841 1.196) 6.782 3.211 ( -0.970 -4.892 3.071) 5.857 3.690 ( 1.744 -0.062 -3.309) 3.741 3.807 ( 0.113 -1.116 0.486) 1.223 3.994 ( -1.537 2.141 1.745) 3.161 4.326 ( -4.442 -3.900 -0.414) 5.925 4.505 ( 3.388 -1.548 0.231) 3.732 4.792 ( -3.326 10.752 1.806) 11.399======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -0.000 1.670 5.539) 5.785 1.787 ( -0.000 6.731 9.759) 11.855 2.202 ( 0.000 -8.147 -4.804) 9.457 2.348 ( 0.000 -2.040 -2.271) 3.053 2.443 ( 0.000 -1.108 -0.235) 1.132 3.320 ( 0.000 -7.819 -4.831) 9.191 3.730 ( 0.000 -1.078 -1.209) 1.620 3.791 ( -0.000 -0.865 1.299) 1.561 3.892 ( -0.000 3.540 -0.385) 3.561 4.083 ( -0.000 0.766 0.396) 0.863 4.609 ( 0.000 -7.130 0.352) 7.139 5.077 ( -0.000 10.625 1.586) 10.743======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( -1.867 0.431 5.655) 5.971 1.992 ( 9.951 3.220 7.549) 12.899 2.097 ( 0.982 -12.073 -6.267) 13.638 2.326 ( 1.098 -2.236 -0.014) 2.491 2.443 ( 0.242 1.932 -0.713) 2.074 3.223 ( 1.565 -11.406 -3.908) 12.158 3.698 ( -1.458 -1.173 -1.533) 2.419 3.793 ( 0.903 -1.171 0.776) 1.670 3.995 ( 6.142 5.553 -0.149) 8.282 4.087 ( -0.307 0.649 0.852) 1.114 4.541 ( -1.119 -4.827 0.573) 4.988 5.133 ( -5.808 9.746 1.412) 11.433======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -1.298 -5.685 0.436) 5.847 1.975 ( 2.018 -11.698 -2.651) 12.163 2.164 ( 8.135 -3.738 0.986) 9.007 2.328 ( -0.126 -1.324 -0.526) 1.430 2.527 ( 5.613 4.991 4.527) 8.770 3.142 ( 4.095 -12.796 -2.134) 13.604 3.662 ( -0.708 -0.813 -2.231) 2.478 3.799 ( 0.891 -1.346 0.151) 1.621 4.064 ( -1.791 1.409 1.234) 2.591 4.198 ( 8.372 5.232 0.407) 9.881 4.487 ( -1.145 -2.475 0.513) 2.775 5.085 ( -10.413 8.628 1.400) 13.595======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 1.379 -10.439 -1.999) 10.718 1.928 ( 4.401 -10.585 2.466) 11.725 2.231 ( 4.124 -4.825 0.833) 6.402 2.296 ( -0.167 -0.746 -3.592) 3.672 2.683 ( 5.119 2.244 3.369) 6.526 3.102 ( 5.512 -11.096 -1.122) 12.441 3.653 ( 1.063 -0.146 -2.629) 2.840 3.792 ( 0.057 -1.815 0.097) 1.819 4.052 ( -1.844 2.115 1.527) 3.195 4.336 ( 1.575 1.642 -0.476) 2.324 4.460 ( 0.109 -1.388 0.731) 1.572 5.004 ( -8.657 9.922 2.533) 13.409======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( -0.000 0.995 8.331) 8.390 1.885 ( -0.000 -4.807 3.361) 5.865 1.953 ( 0.000 -13.069 -7.837) 15.239 2.306 ( -0.000 -0.387 4.130) 4.148 2.471 ( -0.000 4.589 -1.026) 4.703 3.054 ( 0.000 -16.413 -5.004) 17.159 3.696 ( 0.000 -1.902 -0.357) 1.936 3.775 ( 0.000 -1.243 0.338) 1.288 4.005 ( -0.000 8.351 -0.669) 8.378 4.098 ( -0.000 0.232 1.168) 1.191 4.517 ( 0.000 -2.483 0.649) 2.567 5.282 ( -0.000 9.503 1.089) 9.565======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( -6.303 -10.503 -4.051) 12.901 1.802 ( 2.418 -12.650 -0.333) 12.883 1.988 ( 8.656 -3.592 2.135) 9.612 2.320 ( -0.047 -0.981 2.785) 2.953 2.543 ( 1.949 6.154 5.203) 8.291 2.902 ( 4.136 -17.538 -5.585) 18.865 3.663 ( -1.129 -1.767 -0.419) 2.138 3.771 ( 0.814 -1.067 -0.344) 1.385 4.095 ( -0.031 -0.667 1.285) 1.448 4.147 ( 5.033 9.809 0.385) 11.032 4.496 ( -1.117 -0.142 0.262) 1.156 5.317 ( -6.394 8.553 0.876) 10.715======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( -1.538 -15.289 -6.289) 16.603 1.747 ( 4.390 -12.616 2.921) 13.673 2.094 ( 6.887 -3.292 2.932) 8.177 2.293 ( -1.212 -2.147 -1.153) 2.722 2.651 ( 4.171 -1.366 7.626) 8.799 2.842 ( 7.673 -10.673 -6.977) 14.882 3.636 ( -0.072 -0.848 -0.907) 1.243 3.771 ( 0.462 -1.289 -0.427) 1.434 4.089 ( -0.425 -0.049 1.091) 1.172 4.325 ( 4.109 7.391 0.772) 8.492 4.478 ( -1.878 1.275 -0.179) 2.277 5.259 ( -9.542 8.354 1.907) 12.825======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( 0.000 -17.566 -8.053) 19.324 1.654 ( 0.000 -15.736 -5.370) 16.627 1.906 ( -0.000 1.675 7.325) 7.514 2.307 ( 0.000 -4.400 1.081) 4.531 2.554 ( -0.000 -11.939 11.348) 16.472 2.720 ( 0.000 -0.781 -7.986) 8.024 3.655 ( 0.000 -2.364 0.787) 2.492 3.754 ( 0.000 -0.536 -0.989) 1.124 4.079 ( -0.000 -1.917 1.469) 2.415 4.218 ( -0.000 11.720 1.403) 11.804 4.517 ( -0.000 2.331 -0.718) 2.439 5.454 ( -0.000 7.904 0.128) 7.905======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( -4.163 -19.122 -9.803) 21.888 1.539 ( 5.057 -16.057 -1.912) 16.943 1.988 ( 4.775 0.148 6.037) 7.698 2.244 ( 2.578 -11.199 -0.757) 11.517 2.435 ( 3.540 -18.181 2.843) 18.739 2.787 ( 0.962 8.587 0.319) 8.647 3.629 ( -0.507 -1.814 0.642) 1.990 3.753 ( 0.474 -0.303 -1.112) 1.246 4.069 ( 1.040 -2.893 1.113) 3.269 4.363 ( 2.410 10.525 3.290) 11.288 4.535 ( -1.500 4.762 -2.083) 5.410 5.473 ( -6.025 7.122 0.331) 9.335======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 0.000 -19.139 -9.491) 21.363 1.268 ( 0.000 -19.254 -8.210) 20.931 1.977 ( -0.000 1.188 6.615) 6.721 1.983 ( 0.000 -28.851 2.381) 28.949 2.321 ( 0.000 -6.865 -1.283) 6.984 2.875 ( -0.000 8.496 3.639) 9.242 3.617 ( -0.000 -2.099 1.352) 2.497 3.746 ( 0.000 0.556 -1.603) 1.697 4.024 ( 0.000 -4.549 1.522) 4.797 4.456 ( -0.000 8.963 5.787) 10.669 4.602 ( -0.000 8.564 -3.604) 9.292 5.588 ( -0.000 6.154 -1.023) 6.239======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( -0.000 0.000 20.393) 20.393 0.381 ( -0.000 0.000 20.393) 20.393 0.625 ( -0.000 0.000 33.871) 33.871 2.001 ( 0.000 -0.000 -4.517) 4.517 2.001 ( 0.000 -0.000 -4.517) 4.517 3.563 ( 0.000 -0.000 -0.565) 0.565 3.563 ( 0.000 -0.000 -0.565) 0.565 3.564 ( 0.000 -0.000 -14.494) 14.494 3.796 ( -0.000 0.000 1.182) 1.182 3.796 ( -0.000 0.000 1.182) 1.182 4.776 ( -0.000 0.000 7.281) 7.281 5.767 ( 0.000 -0.000 -0.861) 0.861======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.444 ( 6.332 3.656 13.953) 15.752 0.549 ( 5.955 3.438 19.053) 20.256 1.064 ( 23.796 13.739 19.967) 33.966 1.991 ( 1.817 1.049 -6.202) 6.547 2.024 ( 1.702 0.982 -3.525) 4.035 3.093 ( -5.862 -3.384 -3.925) 7.825 3.574 ( 0.792 0.457 -0.530) 1.057 3.783 ( -1.166 -0.673 1.153) 1.772 3.847 ( 4.925 2.844 0.997) 5.774 4.428 ( 16.249 9.381 -24.238) 30.652 4.874 ( 6.096 3.519 1.877) 7.285 5.653 ( -7.943 -4.586 -2.456) 9.495======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( 12.231 7.062 5.986) 15.339 0.777 ( 9.905 5.719 9.403) 14.806 1.644 ( 22.651 13.078 6.147) 26.868 2.053 ( 5.752 3.321 -2.026) 6.944 2.056 ( 1.897 1.095 -2.316) 3.187 3.016 ( -0.845 -0.488 -4.473) 4.578 3.597 ( 1.434 0.828 -0.783) 1.832 3.755 ( -1.542 -0.890 1.234) 2.166 3.975 ( 5.357 3.093 1.923) 6.478 4.508 ( 0.202 0.116 -7.934) 7.938 4.916 ( -4.322 -2.496 5.120) 7.150 5.457 ( -7.128 -4.116 -9.954) 12.916======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( 13.907 8.029 1.421) 16.121 1.028 ( 10.885 6.285 1.056) 12.614 1.990 ( 9.487 5.477 -11.067) 15.572 2.095 ( 1.991 1.149 -0.811) 2.437 2.329 ( 16.613 9.592 11.113) 22.170 3.016 ( 1.418 0.819 -0.412) 1.688 3.635 ( 2.277 1.315 -1.157) 2.873 3.726 ( -1.293 -0.746 1.344) 2.008 4.070 ( 2.507 1.447 0.575) 2.951 4.465 ( -1.907 -1.101 -3.511) 4.144 4.726 ( -13.534 -7.814 8.350) 17.719 5.298 ( -4.081 -2.356 -12.025) 12.915======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( 10.863 6.272 -4.268) 13.250 1.305 ( 13.092 7.559 -1.622) 15.204 2.139 ( 1.908 1.102 1.050) 2.441 2.139 ( 7.424 4.286 -6.651) 10.850 2.682 ( 10.450 6.033 4.841) 13.001 3.075 ( 3.239 1.870 5.129) 6.348 3.688 ( 2.339 1.350 -1.547) 3.112 3.711 ( -0.075 -0.043 1.509) 1.511 4.087 ( -0.727 -0.419 -1.515) 1.732 4.396 ( -10.541 -6.086 4.022) 12.819 4.442 ( -4.852 -2.801 -1.017) 5.694 5.190 ( -3.289 -1.899 -7.424) 8.339======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 10.601 6.120 -6.665) 13.938 1.562 ( 10.444 6.030 -3.957) 12.693 2.183 ( 1.310 0.756 3.101) 3.450 2.290 ( 7.068 4.081 -2.374) 8.500 2.789 ( -1.025 -0.592 1.411) 1.841 3.160 ( 1.388 0.801 6.172) 6.376 3.700 ( 0.048 0.027 0.548) 0.550 3.757 ( 2.731 1.577 -0.686) 3.227 4.042 ( -2.398 -1.385 -2.061) 3.452 4.130 ( -9.989 -5.767 2.899) 11.893 4.471 ( 4.909 2.834 -1.685) 5.913 5.092 ( -4.282 -2.472 -3.554) 6.090======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 9.732 5.619 -7.529) 13.527 1.743 ( 7.109 4.104 -5.440) 9.848 2.207 ( -0.503 -0.290 4.714) 4.750 2.420 ( 4.337 2.504 -0.698) 5.057 2.688 ( -6.934 -4.003 -0.900) 8.057 3.163 ( -1.819 -1.050 6.579) 6.906 3.705 ( 0.172 0.099 0.662) 0.691 3.807 ( 1.820 1.051 -0.760) 2.235 3.975 ( -3.496 -2.019 -0.337) 4.051 4.005 ( -1.504 -0.868 0.608) 1.840 4.630 ( 8.859 5.115 -0.353) 10.236 4.969 ( -6.087 -3.514 -1.746) 7.242======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.852 ( 4.225 2.439 -5.605) 7.431 1.864 ( 6.589 3.804 -5.956) 9.662 2.176 ( -3.836 -2.215 5.151) 6.793 2.452 ( -1.162 -0.671 -0.710) 1.518 2.538 ( -4.661 -2.691 -4.245) 6.855 3.159 ( -0.379 -0.219 8.098) 8.109 3.708 ( -0.073 -0.042 0.679) 0.684 3.829 ( 0.251 0.145 -0.638) 0.701 3.921 ( -1.187 -0.685 -1.392) 1.953 4.010 ( 1.282 0.740 1.815) 2.342 4.775 ( -3.580 -2.067 -1.290) 4.330 4.874 ( 5.499 3.175 0.947) 6.420======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( 1.104 0.637 -2.911) 3.178 1.925 ( -1.148 -0.663 1.904) 2.320 2.064 ( -6.926 -3.999 2.784) 8.468 2.439 ( -3.640 -2.102 -3.177) 5.269 2.447 ( 3.180 1.836 -6.464) 7.434 3.159 ( -3.002 -1.733 5.558) 6.550 3.704 ( -0.463 -0.267 0.588) 0.794 3.815 ( -1.280 -0.739 -0.392) 1.530 3.918 ( 1.846 1.066 -1.938) 2.881 4.060 ( 2.245 1.296 1.940) 3.237 4.624 ( -6.478 -3.740 -0.599) 7.504 5.067 ( 8.722 5.035 2.172) 10.302======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( -11.516 -6.649 8.204) 15.625 1.824 ( -8.997 -5.194 8.225) 13.250 1.972 ( 0.539 0.311 -7.856) 7.880 2.367 ( -2.173 -1.255 -0.232) 2.520 2.551 ( 7.621 4.400 -9.583) 13.011 2.997 ( -12.842 -7.414 0.666) 14.844 3.691 ( -0.829 -0.479 0.091) 0.962 3.776 ( -1.959 -1.131 0.187) 2.270 4.016 ( 7.588 4.381 -1.855) 8.956 4.104 ( 1.095 0.632 0.535) 1.373 4.519 ( -2.661 -1.536 0.464) 3.107 5.263 ( 8.003 4.620 3.121) 9.753======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( -15.515 -8.957 8.531) 19.842 1.588 ( -13.996 -8.081 8.952) 18.475 1.974 ( 1.202 0.694 -7.307) 7.438 2.315 ( -3.978 -2.297 -0.457) 4.617 2.609 ( -19.523 -11.272 2.566) 22.689 2.713 ( 8.042 4.643 -9.649) 13.392 3.663 ( -1.688 -0.974 -1.002) 2.192 3.744 ( -0.837 -0.483 1.274) 1.599 4.092 ( -1.539 -0.888 -1.307) 2.205 4.236 ( 11.291 6.519 -2.516) 13.278 4.508 ( 1.316 0.760 1.329) 2.019 5.441 ( 7.051 4.071 2.967) 8.666======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.576 ( -0.000 15.670 11.055) 19.177 0.706 ( -0.000 13.372 16.236) 21.034 1.040 ( -0.000 18.680 24.557) 30.854 1.932 ( 0.000 -1.842 -6.808) 7.052 2.047 ( 0.000 5.416 -4.642) 7.133 3.078 ( 0.000 -8.500 -4.463) 9.601 3.556 ( 0.000 0.123 -0.765) 0.775 3.802 ( -0.000 -0.556 1.416) 1.521 3.811 ( -0.000 4.274 -0.480) 4.301 4.344 ( 0.000 19.545 -22.350) 29.691 4.878 ( -0.000 4.327 4.127) 5.980 5.684 ( 0.000 -5.017 -3.141) 5.919======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.779 ( -0.274 19.783 5.890) 20.643 0.833 ( -1.268 12.991 16.328) 20.905 1.475 ( 16.681 17.923 10.939) 26.817 1.941 ( 5.463 -0.546 -4.462) 7.075 2.087 ( -0.083 5.744 -4.436) 7.258 2.991 ( -0.433 -3.302 -5.590) 6.507 3.575 ( 1.587 0.330 -0.562) 1.716 3.774 ( -1.574 -0.632 0.796) 1.873 3.921 ( 5.362 3.874 1.514) 6.786 4.446 ( 3.541 2.282 -11.687) 12.423 4.918 ( 0.658 -2.898 4.036) 5.012 5.547 ( -8.501 -3.074 -6.888) 11.365======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.982 ( 1.721 15.224 11.258) 19.013 1.034 ( 4.204 15.976 1.165) 16.561 1.839 ( 10.354 7.013 -9.040) 15.431 2.097 ( 3.139 5.737 -3.540) 7.436 2.194 ( 12.713 8.419 9.487) 17.958 2.972 ( 2.280 -1.395 -2.871) 3.922 3.608 ( 1.928 0.955 -0.494) 2.207 3.746 ( -1.330 -0.488 0.751) 1.603 4.036 ( 3.705 2.018 1.145) 4.371 4.452 ( 0.544 -1.693 -5.076) 5.379 4.836 ( -5.638 -9.589 7.502) 13.417 5.344 ( -8.623 -1.330 -11.017) 14.054======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( 4.673 10.779 5.200) 12.848 1.280 ( 6.209 16.725 -2.479) 18.012 2.013 ( 8.701 4.066 -6.813) 11.775 2.153 ( 0.980 4.801 -3.126) 5.812 2.564 ( 13.330 7.965 6.355) 16.778 3.023 ( 4.901 -0.163 2.049) 5.314 3.656 ( 2.560 1.481 -0.489) 2.998 3.726 ( -1.119 0.230 0.860) 1.430 4.080 ( 0.596 -0.350 -0.926) 1.155 4.420 ( -0.590 -1.390 -2.472) 2.897 4.601 ( -13.120 -8.851 6.106) 16.963 5.189 ( -3.854 -2.993 -8.673) 9.952======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( 6.569 8.636 -0.357) 10.857 1.531 ( 5.960 14.887 -3.310) 16.373 2.166 ( 5.185 3.221 -0.415) 6.118 2.226 ( 3.846 5.509 -2.227) 7.078 2.763 ( 4.322 0.412 0.665) 4.393 3.131 ( 4.868 0.649 4.977) 6.992 3.715 ( 0.901 2.325 -0.779) 2.612 3.721 ( 1.219 0.308 1.459) 1.926 4.053 ( -1.569 -1.809 -2.023) 3.135 4.306 ( -14.131 -4.029 3.063) 15.010 4.423 ( 2.304 0.996 -2.155) 3.308 5.089 ( -1.731 -5.306 -3.923) 6.822======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 7.190 6.618 -3.044) 10.235 1.738 ( 4.110 12.820 -4.867) 14.316 2.235 ( 0.180 2.559 3.263) 4.150 2.364 ( 5.705 4.348 -1.089) 7.255 2.745 ( -3.862 -3.538 -1.551) 5.463 3.186 ( 0.530 -1.105 4.977) 5.125 3.720 ( -0.760 1.294 0.969) 1.787 3.780 ( 2.552 1.412 -0.366) 2.939 4.000 ( -1.561 -1.680 -1.136) 2.559 4.096 ( -9.216 0.705 0.766) 9.275 4.527 ( 7.635 3.439 -0.781) 8.410 4.988 ( -2.738 -6.624 -1.547) 7.333======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 6.111 3.591 -4.720) 8.516 1.891 ( 2.398 11.271 -5.591) 12.808 2.240 ( -3.018 0.344 4.869) 5.739 2.460 ( 1.760 2.040 -0.624) 2.766 2.595 ( -7.298 -3.254 -4.397) 9.120 3.195 ( -0.348 0.237 7.446) 7.458 3.718 ( -0.720 0.318 0.619) 1.001 3.822 ( 1.085 0.930 -0.648) 1.569 3.968 ( -2.336 1.785 -0.576) 2.996 4.015 ( -1.986 1.279 0.910) 2.531 4.710 ( 9.290 2.924 -0.213) 9.742 4.859 ( -3.819 -6.725 -0.609) 7.758======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 3.603 -0.278 -4.422) 5.711 2.000 ( 0.225 8.669 -3.097) 9.208 2.165 ( -6.557 -2.223 4.811) 8.430 2.455 ( -4.515 1.252 -6.778) 8.240 2.466 ( -1.679 -0.617 -0.426) 1.839 3.217 ( -1.652 1.123 7.336) 7.603 3.704 ( -0.546 -1.213 0.145) 1.338 3.827 ( -0.827 0.027 -0.462) 0.948 3.958 ( -2.416 5.825 -1.418) 6.464 4.038 ( 2.168 0.673 1.927) 2.978 4.680 ( -5.684 -5.663 -0.923) 8.076 4.934 ( 10.890 1.090 1.147) 11.005======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( -0.666 -5.934 0.729) 6.015 2.000 ( -9.075 -2.249 3.843) 10.108 2.044 ( -5.203 5.313 -0.185) 7.439 2.378 ( -1.918 -2.048 -2.943) 4.066 2.485 ( 2.432 5.910 -6.857) 9.373 3.148 ( -9.526 -2.241 3.819) 10.504 3.683 ( 0.035 -2.072 0.106) 2.075 3.798 ( -1.887 -0.483 0.131) 1.952 4.008 ( 1.190 8.253 -1.393) 8.454 4.088 ( 1.794 0.872 0.819) 2.157 4.548 ( -3.723 -3.573 -0.203) 5.164 5.129 ( 11.141 -0.043 1.776) 11.281======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( -10.193 -11.800 8.393) 17.708 1.802 ( -11.895 -2.777 1.472) 12.303 2.010 ( -4.522 5.597 -3.264) 7.902 2.333 ( -1.176 -2.048 -0.358) 2.389 2.607 ( 6.803 6.143 -7.967) 12.144 2.865 ( -19.389 -6.043 2.168) 20.424 3.662 ( -0.390 -2.038 -0.174) 2.083 3.766 ( -1.627 -0.016 0.796) 1.811 4.104 ( -0.150 -0.351 -0.637) 0.743 4.156 ( 6.123 9.666 -1.558) 11.547 4.496 ( 0.076 -1.133 0.391) 1.201 5.314 ( 10.671 -0.819 1.578) 10.818======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( -0.000 19.739 4.821) 20.320 1.066 ( -0.000 15.020 10.982) 18.607 1.572 ( -0.000 23.475 13.665) 27.163 1.856 ( 0.000 -1.439 -7.007) 7.154 2.128 ( 0.000 5.501 -5.719) 7.935 2.943 ( 0.000 -3.354 -4.245) 5.410 3.562 ( 0.000 1.051 -0.748) 1.290 3.794 ( -0.000 -1.048 1.243) 1.626 3.912 ( -0.000 5.433 0.660) 5.473 4.402 ( 0.000 0.856 -8.893) 8.935 4.882 ( -0.000 -7.134 5.129) 8.786 5.572 ( 0.000 -2.907 -7.957) 8.471======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( -0.176 18.076 0.592) 18.087 1.216 ( -2.915 16.837 12.092) 20.933 1.773 ( 2.022 7.786 -7.265) 10.840 2.021 ( 12.659 11.797 1.360) 17.357 2.171 ( 1.972 5.583 -0.022) 5.921 2.918 ( 1.150 -1.709 -1.234) 2.401 3.588 ( 1.532 1.356 -0.210) 2.057 3.769 ( -1.562 -0.315 0.360) 1.633 4.001 ( 3.445 3.128 1.018) 4.764 4.393 ( 1.833 -2.031 -4.929) 5.637 4.799 ( -1.078 -11.537 5.655) 12.894 5.452 ( -7.679 -2.002 -9.171) 12.128======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.314 ( -1.206 13.213 1.764) 13.384 1.398 ( 0.530 19.198 6.068) 20.141 1.898 ( 7.912 5.970 -6.902) 12.078 2.160 ( 2.069 4.428 -8.458) 9.769 2.449 ( 12.126 10.143 6.931) 17.262 2.949 ( 3.740 -0.140 2.769) 4.655 3.633 ( 1.992 1.610 0.677) 2.649 3.750 ( -0.887 0.715 -0.252) 1.166 4.060 ( 1.277 0.236 -0.475) 1.382 4.390 ( 1.456 -2.207 -2.384) 3.560 4.660 ( -3.886 -11.829 5.541) 13.628 5.251 ( -9.434 -2.500 -8.709) 13.080======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( 1.046 11.413 1.586) 11.570 1.617 ( 2.130 17.777 2.156) 18.034 2.086 ( 8.290 6.248 -2.774) 10.745 2.224 ( 2.773 4.952 -4.579) 7.292 2.671 ( 6.661 0.758 0.111) 6.705 3.061 ( 5.879 2.204 4.642) 7.808 3.688 ( 2.362 1.623 1.445) 3.210 3.749 ( -0.636 1.784 -0.139) 1.899 4.050 ( -0.905 -1.764 -1.786) 2.668 4.391 ( 1.363 -0.315 -1.346) 1.941 4.478 ( -8.610 -6.243 2.806) 10.999 5.065 ( -5.122 -5.591 -5.144) 9.163======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 2.486 10.442 1.425) 10.829 1.811 ( 1.884 14.664 -1.124) 14.827 2.248 ( 3.994 4.747 0.890) 6.267 2.324 ( 4.049 5.620 -1.431) 7.073 2.724 ( 2.047 -2.968 -2.363) 4.311 3.157 ( 2.695 -0.147 2.381) 3.599 3.745 ( 1.245 0.829 1.982) 2.483 3.761 ( 0.278 2.476 -0.224) 2.501 4.000 ( -1.381 -2.337 -1.465) 3.085 4.286 ( -10.601 0.735 0.395) 10.634 4.448 ( 4.718 2.426 -0.967) 5.392 4.937 ( -1.409 -8.485 -1.571) 8.743======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( 1.747 8.452 0.026) 8.631 1.958 ( 1.434 11.590 -3.114) 12.086 2.304 ( -1.649 1.483 4.009) 4.582 2.433 ( 3.446 2.647 -0.657) 4.394 2.674 ( -4.599 0.403 -5.559) 7.226 3.197 ( 2.371 -0.254 3.935) 4.601 3.741 ( -1.593 -0.080 0.803) 1.786 3.806 ( 1.764 1.269 -0.164) 2.180 3.973 ( 0.604 -0.760 0.188) 0.989 4.153 ( -8.426 4.982 -0.574) 9.805 4.582 ( 8.116 2.180 -0.162) 8.406 4.826 ( -1.603 -9.075 -0.405) 9.224======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( -0.111 4.845 -1.764) 5.157 2.066 ( 0.750 8.553 -2.609) 8.973 2.255 ( -4.709 -2.121 4.504) 6.853 2.457 ( -0.518 -2.734 -1.346) 3.091 2.588 ( -6.944 7.708 -6.034) 12.002 3.259 ( 1.519 1.862 5.770) 6.250 3.706 ( -1.503 -1.620 -0.128) 2.213 3.833 ( 0.411 0.421 -0.353) 0.686 4.005 ( 2.616 0.376 1.511) 3.044 4.093 ( -5.638 7.512 -0.864) 9.432 4.693 ( -2.659 -6.107 -0.702) 6.697 4.753 ( 9.451 -2.161 0.532) 9.710======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( -2.138 -0.298 -1.234) 2.487 2.107 ( -3.917 0.564 1.051) 4.094 2.174 ( -4.034 2.966 3.129) 5.904 2.386 ( -2.690 -2.969 -2.127) 4.536 2.553 ( -4.662 8.709 -6.117) 11.619 3.276 ( -4.364 0.894 4.227) 6.140 3.667 ( -0.729 -2.127 0.057) 2.249 3.826 ( -1.260 -0.051 -0.058) 1.262 4.043 ( 1.497 -0.436 0.649) 1.689 4.121 ( -1.368 10.077 -0.801) 10.201 4.571 ( -3.743 -4.769 -0.354) 6.073 4.916 ( 11.979 -3.420 0.635) 12.474======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( -6.013 -6.084 2.694) 8.968 1.964 ( -10.200 -1.747 -0.088) 10.349 2.160 ( -5.712 5.010 1.440) 7.733 2.325 ( -0.773 -2.575 0.098) 2.690 2.581 ( 1.043 7.729 -6.700) 10.282 3.123 ( -14.190 -2.061 2.055) 14.485 3.647 ( 0.017 -1.424 1.065) 1.778 3.798 ( -1.805 0.001 0.348) 1.838 4.072 ( 2.343 -0.570 -0.504) 2.463 4.205 ( 0.285 9.772 -1.044) 9.832 4.490 ( -1.512 -2.216 -0.196) 2.689 5.090 ( 12.907 -4.217 0.209) 13.580======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( -0.000 17.262 0.500) 17.269 1.399 ( -0.000 14.098 2.683) 14.351 1.811 ( 0.000 0.674 -2.222) 2.322 2.037 ( 0.000 16.340 -8.689) 18.507 2.217 ( -0.000 9.306 6.705) 11.470 2.900 ( -0.000 -0.444 2.605) 2.642 3.590 ( -0.000 2.287 -0.497) 2.340 3.780 ( -0.000 -0.977 0.682) 1.191 4.005 ( -0.000 3.377 0.470) 3.410 4.338 ( 0.000 -3.416 -2.414) 4.183 4.704 ( 0.000 -12.565 3.925) 13.164 5.467 ( 0.000 -3.045 -8.766) 9.279======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( -2.452 11.240 -5.814) 12.890 1.592 ( 2.866 15.635 5.333) 16.767 1.842 ( 2.555 5.421 -1.541) 6.188 2.122 ( 2.623 4.700 -12.621) 13.721 2.432 ( 5.653 13.005 8.416) 16.490 2.927 ( 1.354 1.850 6.035) 6.456 3.626 ( 1.308 2.550 0.301) 2.881 3.766 ( -0.595 -0.047 -0.133) 0.611 4.044 ( 1.103 1.185 -0.500) 1.694 4.316 ( 2.540 -4.642 0.077) 5.292 4.588 ( -0.878 -11.100 2.237) 11.357 5.347 ( -6.976 -3.673 -7.984) 11.220======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( 1.015 8.858 -4.199) 9.856 1.804 ( -0.213 17.363 8.817) 19.475 1.986 ( 9.343 5.108 -5.296) 11.892 2.190 ( 3.852 5.264 -7.638) 10.044 2.596 ( 3.105 1.379 2.879) 4.454 3.031 ( 3.706 5.769 5.858) 9.018 3.679 ( 1.683 2.354 1.709) 3.361 3.766 ( 0.159 1.131 -0.678) 1.328 4.045 ( -0.784 -0.927 -1.687) 2.078 4.332 ( 4.034 -4.107 1.050) 5.852 4.485 ( -1.477 -6.574 0.866) 6.794 5.137 ( -9.886 -4.662 -6.066) 12.500======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( 3.358 9.532 -0.219) 10.109 1.950 ( -1.510 12.405 4.423) 13.256 2.201 ( 8.661 7.028 -1.260) 11.225 2.306 ( 4.695 6.476 -3.696) 8.811 2.625 ( 3.380 -4.344 0.209) 5.508 3.138 ( 1.393 3.345 1.133) 3.797 3.732 ( 1.553 1.379 2.349) 3.136 3.784 ( 0.256 1.737 -0.381) 1.797 4.000 ( -1.834 -1.909 -1.694) 3.143 4.366 ( 2.541 -3.539 1.747) 4.694 4.430 ( -1.210 2.045 -1.443) 2.780 4.917 ( -7.309 -6.882 -2.922) 10.456======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( 1.878 9.626 1.755) 9.964 2.042 ( -0.010 8.533 0.414) 8.543 2.341 ( 1.018 2.965 2.478) 3.996 2.406 ( 1.934 1.761 0.191) 2.623 2.683 ( 5.082 3.798 -4.796) 7.954 3.162 ( 0.826 0.172 -0.191) 0.865 3.760 ( 0.017 -0.478 1.291) 1.377 3.800 ( 0.070 1.451 0.091) 1.455 3.957 ( -0.417 -1.278 -0.504) 1.436 4.328 ( -5.534 3.190 -0.393) 6.399 4.494 ( 4.648 2.319 -0.301) 5.203 4.757 ( -2.169 -8.915 -0.414) 9.184======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( -2.008 7.466 1.450) 7.866 2.122 ( 0.798 6.347 -0.826) 6.450 2.308 ( -3.675 -3.412 2.930) 5.808 2.427 ( 0.748 -2.014 -0.615) 2.234 2.770 ( -3.891 12.335 -5.920) 14.224 3.220 ( 5.522 0.339 2.275) 5.982 3.728 ( -2.549 -1.129 0.016) 2.788 3.819 ( 1.120 -0.246 0.381) 1.208 3.964 ( 2.075 -0.763 0.787) 2.347 4.271 ( -6.463 7.114 -0.806) 9.645 4.595 ( 6.527 -1.474 0.172) 6.694 4.657 ( -0.753 -7.141 -0.009) 7.181======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( -5.329 2.818 0.765) 6.076 2.165 ( -1.791 1.820 -0.017) 2.553 2.238 ( -1.295 -0.301 2.454) 2.791 2.392 ( -1.688 -2.714 -0.497) 3.235 2.756 ( -8.770 11.292 -5.102) 15.180 3.314 ( 2.384 0.705 1.632) 2.974 3.674 ( -2.143 -1.106 0.416) 2.447 3.829 ( 0.532 -0.794 0.198) 0.976 3.998 ( 2.472 -1.644 0.619) 3.033 4.262 ( -3.660 9.339 -0.788) 10.061 4.573 ( -1.803 -4.731 0.064) 5.063 4.697 ( 8.746 -4.288 0.077) 9.741======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( -6.924 -1.695 1.391) 7.263 2.092 ( -6.452 -0.933 -0.311) 6.526 2.267 ( 0.100 2.750 4.179) 5.004 2.324 ( -3.258 -2.128 -0.398) 3.911 2.693 ( -6.979 8.151 -4.918) 11.804 3.281 ( -5.994 -1.802 -0.793) 6.309 3.650 ( -0.720 0.130 2.283) 2.398 3.821 ( -0.884 -0.540 0.014) 1.036 4.020 ( 2.416 -1.472 -0.695) 2.914 4.303 ( -1.778 7.448 -0.662) 7.686 4.505 ( -2.455 -1.795 -0.051) 3.041 4.827 ( 12.293 -4.747 -0.431) 13.185======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( 0.000 6.293 -8.370) 10.472 1.605 ( 0.000 8.639 -8.243) 11.940 1.913 ( -0.000 8.275 7.321) 11.049 2.123 ( 0.000 6.720 -8.619) 10.929 2.537 ( -0.000 9.915 7.774) 12.600 2.973 ( -0.000 5.708 8.181) 9.976 3.643 ( -0.000 3.208 -0.037) 3.209 3.766 ( 0.000 -0.552 -0.118) 0.564 4.045 ( 0.000 1.092 -0.962) 1.455 4.233 ( 0.000 -8.169 2.831) 8.646 4.512 ( 0.000 -6.271 -0.875) 6.332 5.341 ( 0.000 -5.086 -7.276) 8.878======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( -0.639 5.097 -7.294) 8.921 1.781 ( 12.232 3.822 -10.030) 16.273 2.014 ( -1.255 10.535 7.287) 12.871 2.193 ( 1.550 8.287 -3.578) 9.158 2.604 ( -0.641 -0.158 6.177) 6.212 3.085 ( 1.096 9.573 6.206) 11.461 3.686 ( 1.138 3.087 0.854) 3.399 3.765 ( 0.420 0.121 -0.601) 0.743 4.046 ( -0.480 -0.024 -1.885) 1.945 4.191 ( 4.349 -9.293 3.591) 10.871 4.466 ( -0.791 -0.724 -1.761) 2.062 5.212 ( -6.241 -5.897 -5.962) 10.453======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 4.994 6.384 -2.470) 8.473 1.980 ( 10.563 -0.143 -7.684) 13.063 2.156 ( 3.478 13.579 5.887) 15.204 2.299 ( 2.623 7.324 -1.736) 7.971 2.571 ( -1.151 -5.267 5.207) 7.495 3.187 ( -0.710 6.994 0.872) 7.084 3.735 ( 0.886 1.817 2.230) 3.010 3.780 ( 1.194 0.714 -0.899) 1.656 4.014 ( -1.825 -0.761 -1.935) 2.767 4.223 ( 7.467 -6.946 2.193) 10.431 4.464 ( -0.678 3.622 -1.087) 3.842 5.001 ( -9.475 -6.190 -3.903) 11.972======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 6.213 7.186 0.376) 9.507 2.085 ( 3.439 2.499 -1.653) 4.561 2.355 ( 2.546 6.035 2.377) 6.968 2.397 ( 1.407 1.225 0.071) 1.867 2.572 ( 8.177 1.528 1.641) 8.479 3.199 ( -3.132 3.617 -2.510) 5.403 3.753 ( 0.172 -0.816 1.751) 1.940 3.809 ( 0.883 1.142 -0.409) 1.500 3.971 ( -2.135 0.019 -1.299) 2.499 4.305 ( 7.126 -3.338 0.919) 7.923 4.498 ( -0.406 4.829 -0.401) 4.862 4.775 ( -8.565 -6.133 -1.597) 10.654======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 2.651 6.019 1.002) 6.653 2.152 ( 1.500 3.653 -0.152) 3.952 2.331 ( -3.407 -5.453 1.308) 6.562 2.404 ( 0.233 -0.005 0.199) 0.307 2.841 ( 10.558 11.138 -0.974) 15.378 3.168 ( -1.595 1.173 -1.487) 2.476 3.745 ( -0.142 -1.399 0.542) 1.507 3.813 ( -1.018 -0.227 0.011) 1.043 3.944 ( -0.505 -0.032 -0.162) 0.531 4.382 ( 2.043 1.822 0.013) 2.737 4.519 ( -0.426 0.178 -0.262) 0.531 4.620 ( -2.680 -4.156 0.017) 4.945======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( -4.104 2.038 1.194) 4.736 2.201 ( -0.079 2.081 0.372) 2.116 2.240 ( -0.934 -2.993 0.113) 3.137 2.390 ( -0.642 -1.295 0.265) 1.469 2.996 ( -6.752 11.776 -2.638) 13.828 3.215 ( 8.233 -2.118 0.168) 8.503 3.718 ( -2.863 0.656 -0.109) 2.939 3.793 ( 1.393 -2.854 0.983) 3.324 3.950 ( 1.333 -0.779 0.012) 1.544 4.399 ( -3.495 6.060 -0.598) 7.021 4.516 ( 3.133 -4.249 0.275) 5.287 4.586 ( 0.865 -2.155 0.111) 2.325======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( -7.314 -1.293 1.522) 7.582 2.167 ( -3.433 -0.224 -0.622) 3.496 2.253 ( 1.679 -1.216 1.983) 2.869 2.373 ( -1.425 1.253 0.994) 2.142 2.907 ( -10.811 5.031 -1.599) 12.031 3.281 ( 1.726 -3.387 -3.255) 5.004 3.687 ( -1.790 1.347 2.133) 3.093 3.808 ( 1.623 -1.027 0.156) 1.927 3.966 ( 1.860 -0.970 -0.801) 2.246 4.387 ( -2.876 1.261 -0.254) 3.151 4.525 ( -0.283 -0.085 0.117) 0.318 4.624 ( 7.033 -0.881 -0.262) 7.093======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( 0.000 0.857 -11.323) 11.355 1.616 ( 0.000 3.200 -5.996) 6.796 2.134 ( -0.000 8.902 5.024) 10.222 2.261 ( -0.000 9.003 -0.801) 9.038 2.611 ( -0.000 -4.815 7.325) 8.765 3.198 ( -0.000 10.710 4.336) 11.555 3.708 ( -0.000 3.205 0.493) 3.242 3.757 ( 0.000 -0.139 -0.826) 0.837 4.046 ( 0.000 -0.258 -2.144) 2.160 4.070 ( 0.000 -8.937 3.656) 9.655 4.483 ( 0.000 3.629 -1.648) 3.986 5.183 ( 0.000 -7.248 -5.226) 8.936======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( 3.152 3.470 -3.710) 5.978 1.747 ( 11.153 0.555 -6.878) 13.115 2.239 ( 1.897 7.904 3.359) 8.795 2.345 ( 0.311 7.145 0.049) 7.152 2.558 ( -1.459 -7.038 6.684) 9.815 3.286 ( -1.584 7.698 0.299) 7.865 3.748 ( 0.710 2.311 1.507) 2.849 3.761 ( 0.927 0.046 -1.226) 1.538 4.016 ( 1.090 -3.661 -0.349) 3.835 4.060 ( 3.224 -3.222 0.680) 4.608 4.524 ( -0.769 6.748 -0.537) 6.813 5.050 ( -5.233 -7.686 -3.836) 10.058======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 7.688 4.103 -0.634) 8.737 1.943 ( 12.158 1.080 -3.265) 12.635 2.371 ( 3.954 3.573 -0.109) 5.331 2.401 ( -0.054 4.522 1.547) 4.780 2.497 ( 1.116 -4.387 5.809) 7.364 3.296 ( -3.614 4.845 -2.718) 6.627 3.750 ( -0.449 -1.458 0.758) 1.703 3.797 ( 1.524 1.561 0.009) 2.182 4.004 ( -1.116 1.039 -1.684) 2.272 4.124 ( 8.520 -4.145 1.128) 9.541 4.575 ( -1.726 7.339 0.350) 7.547 4.855 ( -7.891 -6.943 -2.156) 10.730======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 7.632 1.958 -0.689) 7.909 2.117 ( 6.424 2.688 -0.534) 6.985 2.334 ( -2.931 -5.008 0.338) 5.813 2.420 ( -1.310 0.430 0.071) 1.381 2.677 ( 14.707 3.587 3.671) 15.577 3.262 ( -4.474 4.462 -2.272) 6.715 3.726 ( -0.088 -2.276 0.322) 2.300 3.825 ( 0.172 0.683 -0.238) 0.743 3.981 ( -2.644 1.431 -0.948) 3.152 4.256 ( 9.636 -1.899 0.710) 9.847 4.595 ( -3.808 4.957 0.284) 6.257 4.664 ( -6.458 -4.741 -0.774) 8.049======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( 3.249 -2.111 -0.937) 3.986 2.205 ( 2.014 0.932 -0.372) 2.250 2.241 ( -2.716 -2.001 0.072) 3.375 2.393 ( -0.916 -0.922 -0.415) 1.364 2.975 ( 15.305 0.312 2.043) 15.444 3.216 ( -6.281 4.527 0.102) 7.743 3.718 ( 1.736 -1.531 -0.090) 2.317 3.801 ( -3.233 -0.197 -0.772) 3.330 3.949 ( -1.539 0.535 0.078) 1.632 4.394 ( 7.174 -0.004 0.500) 7.192 4.519 ( -5.346 0.506 -0.312) 5.379 4.586 ( -2.190 -0.289 -0.016) 2.209======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( -2.649 -4.589 -0.000) 5.299 2.196 ( -0.692 -1.199 -0.000) 1.384 2.230 ( -0.220 -0.380 -0.000) 0.439 2.392 ( 0.794 1.374 -0.000) 1.587 3.074 ( -3.880 -6.721 -0.000) 7.761 3.193 ( 1.695 2.935 -0.000) 3.389 3.731 ( -1.104 -1.912 -0.000) 2.208 3.767 ( 1.573 2.724 -0.000) 3.145 3.944 ( 0.220 0.381 -0.000) 0.440 4.413 ( -3.198 -5.539 -0.000) 6.396 4.513 ( 2.681 4.643 -0.000) 5.362 4.579 ( 1.075 1.862 -0.000) 2.150======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 0.000 1.919 -3.272) 3.793 1.654 ( -0.000 2.960 -1.032) 3.135 2.283 ( -0.000 4.178 0.842) 4.262 2.406 ( -0.000 5.139 0.480) 5.161 2.517 ( -0.000 -7.526 5.737) 9.464 3.363 ( -0.000 5.089 -2.023) 5.476 3.749 ( 0.000 0.093 -1.511) 1.514 3.767 ( -0.000 2.053 1.267) 2.413 3.935 ( 0.000 -5.584 2.110) 5.970 4.047 ( 0.000 0.793 -1.785) 1.953 4.610 ( -0.000 9.160 0.447) 9.171 5.003 ( 0.000 -8.519 -3.053) 9.050======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 4.800 2.882 0.225) 5.604 1.771 ( 9.577 3.765 1.839) 10.454 2.332 ( 2.666 0.781 -1.465) 3.140 2.434 ( 0.234 -0.957 2.807) 2.975 2.466 ( -0.789 -2.635 2.408) 3.656 3.371 ( -1.871 2.506 -4.147) 5.194 3.743 ( -0.310 -0.977 -0.972) 1.412 3.794 ( 0.817 1.362 1.190) 1.985 3.945 ( 5.527 -2.519 1.118) 6.177 4.048 ( -0.327 0.846 -1.396) 1.664 4.688 ( -1.690 8.375 1.109) 8.616 4.880 ( -4.230 -6.912 -1.885) 8.320======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( 7.041 0.490 -0.049) 7.058 2.010 ( 10.451 5.044 3.223) 12.043 2.324 ( -1.001 -4.014 -2.653) 4.914 2.435 ( -0.498 -2.804 0.596) 2.909 2.500 ( 8.054 0.003 3.563) 8.807 3.344 ( -2.066 1.850 -3.290) 4.303 3.712 ( -0.926 -1.984 -0.758) 2.317 3.822 ( 0.841 0.543 0.728) 1.238 4.031 ( -1.192 2.189 -1.202) 2.767 4.076 ( 9.339 -1.166 0.878) 9.452 4.685 ( -3.288 -3.847 0.173) 5.064 4.758 ( -6.978 5.209 -0.049) 8.708======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 6.021 -3.279 -1.053) 6.936 2.163 ( 3.081 -0.179 0.613) 3.146 2.262 ( -0.836 -0.587 -2.668) 2.857 2.391 ( -0.947 -2.851 -0.377) 3.027 2.712 ( 15.008 -1.978 4.514) 15.797 3.321 ( -2.251 1.312 0.025) 2.605 3.682 ( 0.230 -1.655 -1.362) 2.156 3.830 ( -0.495 -0.055 -0.005) 0.498 4.001 ( -3.044 0.805 -0.144) 3.152 4.255 ( 9.957 1.529 0.655) 10.095 4.575 ( -3.035 -4.021 -0.361) 5.051 4.695 ( -8.039 5.433 0.399) 9.711======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( -0.000 6.588 5.824) 8.794 1.718 ( -0.000 2.916 3.343) 4.436 2.294 ( 0.000 -2.447 -2.859) 3.763 2.402 ( -0.000 -4.711 2.344) 5.262 2.472 ( -0.000 -0.353 0.439) 0.563 3.378 ( 0.000 -0.605 -6.124) 6.153 3.738 ( 0.000 -0.304 -1.404) 1.436 3.800 ( -0.000 0.509 1.357) 1.449 3.878 ( -0.000 -1.540 1.483) 2.138 4.059 ( 0.000 1.403 -1.346) 1.944 4.745 ( 0.000 -2.922 0.693) 3.003 4.893 ( -0.000 5.102 -0.327) 5.113======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 0.634 2.727 4.203) 5.050 1.904 ( 10.261 6.679 6.749) 13.980 2.258 ( 1.413 -6.158 -4.895) 7.992 2.375 ( 1.261 -3.667 2.001) 4.364 2.459 ( -0.042 -1.576 0.325) 1.610 3.341 ( 0.141 -2.635 -5.655) 6.240 3.715 ( -1.424 -1.147 -1.091) 2.129 3.813 ( 0.769 -0.294 1.121) 1.391 3.936 ( 6.659 0.913 0.861) 6.776 4.065 ( -0.679 1.528 -0.880) 1.890 4.669 ( -1.817 -7.528 0.284) 7.749 4.940 ( -4.621 10.097 0.538) 11.117======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( 2.569 -1.362 1.853) 3.448 2.108 ( 3.748 0.027 1.186) 3.931 2.210 ( 3.947 -3.959 -4.798) 7.367 2.368 ( -0.011 -3.485 1.544) 3.811 2.506 ( 8.268 -0.647 4.383) 9.380 3.308 ( 1.467 -4.393 -2.731) 5.376 3.673 ( -1.306 -1.278 -1.415) 2.311 3.823 ( 0.753 -0.874 0.492) 1.254 4.045 ( -0.776 0.502 0.131) 0.934 4.115 ( 8.907 3.774 0.502) 9.686 4.568 ( -2.090 -5.609 0.179) 5.989 4.918 ( -9.047 8.730 0.359) 12.577======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( -0.000 2.680 6.193) 6.748 1.869 ( -0.000 6.810 7.835) 10.381 2.155 ( 0.000 -9.129 -5.554) 10.686 2.340 ( 0.000 -2.468 0.943) 2.642 2.442 ( 0.000 -1.729 0.030) 1.729 3.270 ( 0.000 -7.052 -6.072) 9.306 3.719 ( 0.000 -0.880 -1.045) 1.366 3.802 ( -0.000 -1.051 1.030) 1.472 3.893 ( -0.000 2.765 0.585) 2.827 4.083 ( -0.000 1.511 -0.485) 1.587 4.613 ( 0.000 -6.955 0.559) 6.977 5.085 ( -0.000 10.799 0.305) 10.803======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( -3.509 -0.032 4.014) 5.332 2.033 ( 4.967 -1.999 -0.392) 5.369 2.047 ( 4.895 -8.942 -2.847) 10.584 2.343 ( 0.851 -0.966 3.753) 3.967 2.448 ( 1.777 2.112 1.814) 3.303 3.185 ( 2.421 -10.878 -4.223) 11.918 3.687 ( -1.850 -1.070 -0.860) 2.303 3.798 ( 0.758 -1.509 0.300) 1.715 3.998 ( 6.517 5.274 0.707) 8.413 4.091 ( -0.294 1.291 0.026) 1.325 4.546 ( -1.200 -4.765 0.427) 4.932 5.138 ( -5.767 9.869 -0.192) 11.432======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( 0.000 -8.068 -5.839) 9.959 1.881 ( 0.000 -8.245 -3.942) 9.139 1.901 ( -0.000 -4.271 5.919) 7.299 2.348 ( -0.000 -0.450 4.103) 4.128 2.484 ( -0.000 7.217 4.465) 8.487 3.015 ( 0.000 -16.471 -3.318) 16.802 3.693 ( 0.000 -1.415 -0.233) 1.434 3.776 ( 0.000 -1.770 0.069) 1.772 4.005 ( -0.000 8.469 0.640) 8.493 4.105 ( -0.000 0.700 0.333) 0.775 4.520 ( 0.000 -2.660 0.099) 2.662 5.282 ( -0.000 9.583 -1.079) 9.644======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( -0.000 0.000 19.099) 19.099 0.560 ( -0.000 0.000 19.099) 19.099 0.926 ( -0.000 0.000 32.430) 32.430 1.952 ( 0.000 -0.000 -6.285) 6.285 1.952 ( 0.000 -0.000 -6.285) 6.285 3.414 ( 0.000 -0.000 -18.266) 18.266 3.558 ( 0.000 -0.000 -0.606) 0.606 3.558 ( 0.000 -0.000 -0.606) 0.606 3.808 ( -0.000 0.000 1.372) 1.372 3.808 ( -0.000 0.000 1.372) 1.372 4.846 ( -0.000 0.000 7.850) 7.850 5.758 ( 0.000 -0.000 -1.137) 1.137======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.583 ( 2.904 1.677 16.200) 16.544 0.732 ( 4.079 2.355 20.623) 21.155 1.240 ( 17.478 10.091 18.510) 27.385 1.934 ( 2.438 1.407 -5.830) 6.474 1.983 ( 2.382 1.375 -5.495) 6.145 3.043 ( -6.904 -3.986 -7.203) 10.744 3.568 ( 0.735 0.425 -0.743) 1.128 3.795 ( -1.169 -0.675 1.447) 1.979 3.857 ( 5.795 3.345 1.254) 6.807 4.218 ( 22.041 12.725 -21.036) 33.019 4.909 ( 3.310 1.911 5.001) 6.294 5.634 ( -9.647 -5.570 -1.881) 11.297======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 9.233 5.331 9.930) 14.570 0.891 ( 5.345 3.086 15.400) 16.591 1.653 ( 15.018 8.671 -4.032) 17.804 2.025 ( 2.712 1.566 -4.402) 5.402 2.072 ( 11.164 6.446 6.212) 14.310 2.964 ( 0.489 0.283 -6.921) 6.944 3.588 ( 1.325 0.765 -1.096) 1.882 3.768 ( -1.538 -0.888 1.593) 2.386 3.992 ( 5.126 2.959 1.927) 6.225 4.427 ( 4.068 2.349 -9.636) 10.720 4.965 ( -1.491 -0.861 5.466) 5.731 5.374 ( -10.732 -6.196 -8.025) 14.764======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( 11.822 6.825 4.853) 14.488 1.062 ( 7.045 4.068 6.464) 10.391 1.892 ( 10.148 5.859 -10.376) 15.651 2.078 ( 2.969 1.714 -2.912) 4.498 2.424 ( 15.283 8.824 9.683) 20.129 3.000 ( 3.882 2.241 -2.961) 5.372 3.623 ( 2.186 1.262 -1.406) 2.889 3.740 ( -1.310 -0.756 1.668) 2.251 4.073 ( 1.655 0.956 -0.018) 1.912 4.433 ( -0.759 -0.438 -3.672) 3.775 4.802 ( -14.694 -8.484 8.116) 18.809 5.194 ( -2.503 -1.445 -10.600) 10.987======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( 8.578 4.952 0.285) 9.909 1.302 ( 11.501 6.640 1.081) 13.324 2.085 ( 9.342 5.393 -5.274) 12.007 2.140 ( 3.039 1.754 -0.926) 3.629 2.718 ( 8.107 4.680 2.893) 9.798 3.109 ( 5.401 3.118 2.423) 6.691 3.674 ( 2.549 1.472 -1.379) 3.251 3.724 ( -0.364 -0.210 1.474) 1.532 4.072 ( -1.201 -0.694 -1.744) 2.228 4.406 ( -0.161 -0.093 -1.519) 1.530 4.453 ( -16.092 -9.291 2.782) 18.789 5.136 ( -1.698 -0.980 -4.134) 4.576======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( 9.228 5.328 -3.267) 11.145 1.535 ( 9.221 5.324 -1.953) 10.825 2.203 ( 2.418 1.396 1.426) 3.135 2.272 ( 8.022 4.632 -1.715) 9.421 2.791 ( -1.590 -0.918 -0.998) 2.090 3.208 ( 1.716 0.991 4.363) 4.792 3.705 ( 0.327 0.189 0.619) 0.725 3.751 ( 2.416 1.395 -0.601) 2.854 4.025 ( -2.066 -1.193 -1.454) 2.794 4.150 ( -10.563 -6.098 1.277) 12.264 4.458 ( 5.353 3.091 -1.125) 6.283 5.070 ( -3.723 -2.150 -1.150) 4.450======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 8.984 5.187 -6.105) 12.037 1.699 ( 6.394 3.692 -4.207) 8.498 2.244 ( 0.254 0.147 3.552) 3.564 2.415 ( 4.588 2.649 -0.505) 5.321 2.666 ( -7.735 -4.466 -3.782) 9.700 3.226 ( -0.764 -0.441 7.111) 7.166 3.712 ( 0.148 0.085 0.990) 1.005 3.799 ( 1.855 1.071 -0.979) 2.355 3.970 ( -3.584 -2.069 -0.605) 4.183 4.012 ( -1.308 -0.755 0.869) 1.743 4.626 ( 9.138 5.276 -0.519) 10.565 4.959 ( -5.949 -3.435 -0.372) 6.879======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 4.143 2.392 -5.489) 7.281 1.803 ( 7.810 4.509 -7.388) 11.658 2.222 ( -3.651 -2.108 4.912) 6.473 2.443 ( -2.780 -1.605 -1.432) 3.515 2.502 ( -3.758 -2.170 -3.391) 5.507 3.236 ( -0.646 -0.373 8.787) 8.818 3.716 ( -0.128 -0.074 0.987) 0.998 3.822 ( 0.350 0.202 -0.933) 1.017 3.907 ( -1.481 -0.855 -1.593) 2.337 4.028 ( 1.528 0.882 1.950) 2.630 4.763 ( -3.727 -2.152 -1.253) 4.482 4.882 ( 6.109 3.527 0.818) 7.101======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 2.644 1.526 -5.897) 6.641 1.920 ( 3.234 1.867 -3.077) 4.839 2.104 ( -8.305 -4.795 5.476) 11.044 2.371 ( -0.885 -0.511 -5.914) 6.002 2.443 ( -1.730 -0.999 -0.021) 1.997 3.213 ( -4.800 -2.771 6.351) 8.430 3.711 ( -0.601 -0.347 0.834) 1.085 3.810 ( -1.093 -0.631 -0.718) 1.452 3.902 ( 1.961 1.132 -1.386) 2.655 4.075 ( 1.866 1.077 1.315) 2.524 4.618 ( -6.133 -3.541 -0.647) 7.111 5.082 ( 9.185 5.303 1.024) 10.656======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( -0.000 10.071 14.812) 17.911 0.846 ( -0.000 11.399 14.540) 18.475 1.260 ( -0.000 13.645 23.323) 27.022 1.867 ( 0.000 -1.995 -7.362) 7.628 1.998 ( 0.000 5.741 -5.857) 8.202 3.022 ( 0.000 -8.762 -7.814) 11.740 3.550 ( 0.000 0.060 -0.546) 0.549 3.808 ( -0.000 5.282 -0.125) 5.283 3.814 ( -0.000 -0.563 1.248) 1.369 4.166 ( 0.000 23.077 -16.695) 28.482 4.923 ( -0.000 2.498 5.377) 5.929 5.657 ( 0.000 -7.359 -2.803) 7.875======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( -0.266 14.924 9.030) 17.446 0.988 ( -1.274 10.840 17.271) 20.431 1.540 ( 8.211 12.418 2.404) 15.080 1.915 ( 9.116 1.457 -1.441) 9.343 2.050 ( 1.738 6.438 -2.433) 7.098 2.932 ( -0.290 -1.796 -7.324) 7.547 3.570 ( 1.529 0.488 -0.513) 1.684 3.781 ( -1.445 -0.914 0.786) 1.882 3.938 ( 5.734 3.763 2.037) 7.155 4.340 ( 5.558 6.846 -11.411) 14.421 4.959 ( 0.941 -1.735 4.732) 5.127 5.488 ( -9.633 -5.937 -6.070) 12.841======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( 3.513 15.306 3.845) 16.168 1.116 ( -1.559 10.993 14.324) 18.123 1.749 ( 9.349 6.872 -10.319) 15.528 2.049 ( 3.194 3.979 -6.399) 8.184 2.288 ( 14.244 9.163 10.307) 19.826 2.938 ( 3.316 1.092 -4.375) 5.598 3.603 ( 1.613 1.469 -0.608) 2.265 3.753 ( -0.965 -1.072 0.846) 1.672 4.045 ( 3.015 1.456 0.808) 3.444 4.406 ( 1.955 -0.061 -4.917) 5.291 4.908 ( -4.504 -9.891 8.409) 13.742 5.245 ( -9.618 -1.074 -10.868) 14.553======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 2.967 9.448 3.071) 10.368 1.290 ( 3.819 15.738 5.727) 17.178 1.954 ( 10.281 6.171 -5.788) 13.314 2.119 ( 2.817 4.198 -4.601) 6.835 2.611 ( 11.099 5.442 3.971) 12.984 3.033 ( 6.477 2.304 0.468) 6.890 3.651 ( 2.119 2.268 -0.699) 3.182 3.735 ( -0.678 -0.332 1.036) 1.281 4.070 ( -0.033 -0.760 -1.191) 1.413 4.398 ( -0.102 -0.966 -2.446) 2.632 4.650 ( -14.895 -9.814 4.413) 18.375 5.123 ( -1.639 -2.026 -5.458) 6.049======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( 4.446 8.879 1.698) 10.074 1.517 ( 4.360 14.049 0.483) 14.718 2.157 ( 7.643 4.556 -1.177) 8.976 2.206 ( 4.083 5.456 -2.414) 7.230 2.762 ( 3.678 -0.692 -1.044) 3.885 3.165 ( 5.256 0.888 2.599) 5.930 3.708 ( 1.651 2.620 -0.683) 3.172 3.734 ( 0.296 0.555 1.291) 1.436 4.037 ( -1.524 -1.750 -1.592) 2.814 4.322 ( -14.624 -4.547 0.112) 15.315 4.408 ( 2.476 1.154 -0.582) 2.793 5.067 ( -0.743 -5.026 -0.858) 5.153======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 4.952 7.453 -0.782) 8.982 1.702 ( 2.887 12.297 -2.949) 12.971 2.258 ( 1.333 3.268 1.850) 3.985 2.355 ( 6.107 4.477 -0.900) 7.626 2.719 ( -4.496 -4.376 -3.939) 7.408 3.229 ( 2.036 -1.104 4.327) 4.908 3.729 ( -0.746 1.386 0.979) 1.854 3.776 ( 2.129 1.623 -0.509) 2.725 3.994 ( -1.040 -1.401 -0.162) 1.752 4.098 ( -9.218 0.277 -0.388) 9.230 4.521 ( 7.804 3.638 -0.457) 8.623 4.982 ( -2.645 -6.620 0.264) 7.134======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 4.414 4.560 -3.452) 7.225 1.841 ( 1.725 11.728 -5.302) 12.986 2.281 ( -2.450 0.853 4.023) 4.786 2.454 ( 1.872 1.856 -0.608) 2.705 2.550 ( -7.240 -3.905 -5.274) 9.772 3.263 ( 0.856 -0.115 7.336) 7.387 3.725 ( -0.804 -0.028 0.825) 1.152 3.815 ( 0.983 1.089 -0.905) 1.724 3.963 ( -3.440 2.373 -0.695) 4.236 4.024 ( -0.639 0.832 1.115) 1.531 4.706 ( 8.975 2.915 -0.700) 9.463 4.858 ( -3.474 -6.590 0.404) 7.460======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( 3.334 0.976 -4.846) 5.963 1.961 ( 1.204 11.074 -5.488) 12.418 2.211 ( -6.559 -2.444 5.267) 8.760 2.404 ( -4.958 -0.182 -4.435) 6.654 2.462 ( -1.471 -0.633 -0.415) 1.654 3.283 ( -2.156 0.009 7.034) 7.357 3.707 ( -0.436 -1.664 0.571) 1.812 3.821 ( -0.714 0.303 -0.796) 1.111 3.946 ( -2.602 6.004 -1.237) 6.659 4.054 ( 2.047 0.489 1.519) 2.595 4.673 ( -5.581 -5.465 -0.669) 7.839 4.941 ( 11.148 1.135 0.332) 11.210======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( -0.000 16.365 7.810) 18.133 1.150 ( -0.000 12.684 7.102) 14.536 1.671 ( -0.000 17.878 6.405) 18.991 1.800 ( 0.000 -0.565 -4.866) 4.899 2.090 ( -0.000 6.460 -1.343) 6.598 2.900 ( 0.000 -0.646 -5.287) 5.327 3.557 ( -0.000 1.022 -0.393) 1.095 3.803 ( -0.000 -1.141 0.838) 1.415 3.924 ( -0.000 5.383 1.898) 5.708 4.327 ( 0.000 4.460 -7.515) 8.739 4.930 ( -0.000 -6.604 5.391) 8.525 5.497 ( 0.000 -4.638 -8.535) 9.713======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( -1.533 14.938 1.124) 15.059 1.321 ( 0.721 14.033 10.237) 17.385 1.707 ( -0.876 7.973 -6.662) 10.427 1.976 ( 7.832 5.555 -9.129) 13.249 2.227 ( 7.310 10.335 10.051) 16.164 2.903 ( 1.217 1.825 -2.084) 3.026 3.587 ( 1.795 1.512 -0.017) 2.347 3.771 ( -1.878 -0.500 0.143) 1.949 4.012 ( 3.176 2.431 1.459) 4.258 4.354 ( 2.159 0.168 -3.562) 4.168 4.853 ( -0.423 -12.288 6.331) 13.830 5.363 ( -7.909 -1.827 -10.296) 13.111======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.302 ( 1.067 11.588 -2.223) 11.847 1.489 ( -2.060 17.419 11.610) 21.035 1.841 ( 8.602 7.908 -5.425) 12.883 2.076 ( 4.505 3.798 -9.832) 11.462 2.508 ( 9.288 7.554 5.701) 13.260 2.970 ( 4.086 3.204 1.869) 5.518 3.638 ( 2.053 2.189 0.549) 3.051 3.747 ( -0.749 0.347 -0.314) 0.883 4.056 ( 0.665 -0.396 -0.464) 0.903 4.371 ( 1.319 -1.232 -1.685) 2.469 4.712 ( -3.861 -13.566 5.835) 15.264 5.173 ( -8.497 -1.199 -8.429) 12.029======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 2.793 10.641 -0.138) 11.003 1.663 ( -1.383 17.642 7.511) 19.224 2.063 ( 9.552 7.001 -2.207) 12.046 2.173 ( 5.106 5.188 -6.414) 9.702 2.671 ( 5.233 -0.088 -0.251) 5.240 3.095 ( 5.167 2.514 2.785) 6.386 3.699 ( 2.104 2.530 0.836) 3.395 3.749 ( -0.145 1.403 0.059) 1.412 4.035 ( -1.065 -1.913 -1.366) 2.580 4.377 ( 1.271 0.390 -1.529) 2.026 4.501 ( -9.874 -7.319 2.042) 12.460 5.028 ( -3.101 -5.257 -2.727) 6.685======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 2.465 10.473 1.568) 10.873 1.815 ( -0.922 14.654 2.129) 14.837 2.253 ( 5.335 5.657 0.315) 7.782 2.305 ( 5.272 6.146 -2.577) 8.498 2.698 ( 0.912 -3.718 -3.436) 5.144 3.176 ( 3.212 -0.843 1.736) 3.747 3.758 ( 1.910 1.627 0.609) 2.582 3.761 ( -0.647 1.937 0.482) 2.098 3.991 ( -0.920 -2.136 -0.568) 2.394 4.283 ( -10.994 0.674 -1.062) 11.066 4.443 ( 4.876 2.464 -0.098) 5.464 4.931 ( -0.731 -8.561 0.324) 8.598======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 0.321 8.914 1.036) 8.980 1.935 ( -0.114 12.232 -1.932) 12.384 2.337 ( -0.847 2.189 3.135) 3.916 2.425 ( 3.548 2.939 -1.064) 4.728 2.618 ( -4.896 -0.625 -6.647) 8.279 3.233 ( 4.114 -0.827 3.987) 5.789 3.748 ( -1.786 -0.391 0.590) 1.921 3.804 ( 1.440 1.462 -0.342) 2.081 3.978 ( 1.144 -0.505 0.980) 1.589 4.146 ( -8.334 4.937 -1.042) 9.743 4.580 ( 8.063 2.333 -0.229) 8.397 4.827 ( -1.656 -9.221 0.635) 9.390======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( -1.641 5.776 -0.856) 6.065 2.040 ( 0.442 10.339 -3.230) 10.841 2.294 ( -4.192 -2.610 3.997) 6.352 2.445 ( -1.259 -2.745 -1.368) 3.315 2.538 ( -5.856 7.517 -4.925) 10.727 3.307 ( 2.275 0.555 4.794) 5.335 3.707 ( -1.557 -1.838 0.362) 2.436 3.829 ( 0.280 0.712 -0.596) 0.969 4.019 ( 2.709 0.347 1.475) 3.104 4.085 ( -5.711 7.436 -0.955) 9.425 4.688 ( -2.395 -5.571 -0.412) 6.078 4.757 ( 9.090 -2.581 0.251) 9.453======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( -0.000 13.671 0.087) 13.671 1.392 ( -0.000 10.424 -4.150) 11.220 1.817 ( -0.000 3.692 3.482) 5.074 1.926 ( 0.000 10.723 -13.732) 17.423 2.311 ( -0.000 13.221 11.991) 17.849 2.918 ( -0.000 3.346 1.288) 3.585 3.588 ( -0.000 2.334 -0.116) 2.337 3.784 ( 0.000 -1.163 0.191) 1.179 4.013 ( -0.000 2.496 1.306) 2.818 4.324 ( 0.000 -1.344 -0.748) 1.538 4.741 ( 0.000 -14.438 4.368) 15.084 5.381 ( 0.000 -2.112 -10.273) 10.488======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( -1.804 9.074 -6.500) 11.307 1.607 ( 8.998 11.092 -2.309) 14.468 1.856 ( -1.842 8.706 4.351) 9.906 2.017 ( 3.364 7.034 -9.880) 12.586 2.508 ( 3.518 10.489 8.166) 13.750 2.975 ( 1.283 4.837 4.432) 6.684 3.629 ( 1.754 2.732 0.407) 3.272 3.763 ( -0.885 -0.183 -0.405) 0.991 4.042 ( 0.712 0.276 -0.080) 0.768 4.322 ( 1.992 -2.713 1.166) 3.562 4.611 ( -0.145 -13.799 2.806) 14.082 5.270 ( -6.618 -2.366 -8.828) 11.284======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 3.104 8.920 -3.743) 10.160 1.877 ( 6.059 15.367 4.331) 17.077 1.940 ( 4.576 4.210 -2.414) 6.670 2.129 ( 4.091 8.221 -5.389) 10.647 2.624 ( 1.277 1.617 3.098) 3.721 3.077 ( 2.479 5.242 4.091) 7.096 3.693 ( 2.082 2.747 1.225) 3.658 3.760 ( 0.182 1.110 -0.677) 1.312 4.032 ( -0.927 -1.358 -1.165) 2.015 4.342 ( 2.803 -2.054 1.129) 3.654 4.496 ( -0.799 -9.507 1.374) 9.639 5.083 ( -8.773 -3.644 -5.621) 11.039======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 4.793 9.805 -0.352) 10.919 1.992 ( -2.280 9.031 4.221) 10.226 2.189 ( 10.881 9.636 -1.350) 14.597 2.271 ( 4.857 7.670 -3.335) 9.672 2.630 ( 0.912 -3.551 0.573) 3.710 3.147 ( 0.703 1.691 0.627) 1.935 3.749 ( 1.344 1.645 1.279) 2.479 3.781 ( 0.581 1.672 -0.235) 1.786 3.988 ( -1.549 -1.951 -0.970) 2.673 4.383 ( 2.424 -3.522 1.874) 4.668 4.416 ( -2.016 2.001 -1.616) 3.268 4.896 ( -5.789 -6.694 -1.692) 9.010======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 2.417 9.646 1.069) 10.002 2.051 ( -1.087 7.661 1.504) 7.883 2.362 ( 1.892 3.327 2.018) 4.327 2.402 ( 2.125 3.130 -1.013) 3.916 2.639 ( 2.629 4.011 -4.814) 6.795 3.165 ( 2.320 -0.854 0.950) 2.648 3.767 ( -0.543 -0.574 0.219) 0.819 3.802 ( 0.312 1.466 0.282) 1.526 3.956 ( 0.230 -1.248 0.214) 1.287 4.323 ( -6.120 3.470 -0.828) 7.084 4.492 ( 4.907 2.315 0.060) 5.426 4.756 ( -1.653 -9.055 0.365) 9.212======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( -2.389 7.564 1.354) 8.047 2.116 ( 0.128 6.908 -0.309) 6.916 2.329 ( -3.400 -4.480 1.536) 5.830 2.422 ( 0.690 -1.524 -0.392) 1.719 2.718 ( -4.069 13.455 -5.282) 15.016 3.241 ( 6.297 -0.666 2.329) 6.747 3.728 ( -2.430 -1.267 -0.077) 2.742 3.822 ( 0.825 0.153 0.330) 0.901 3.972 ( 2.429 -1.087 0.937) 2.821 4.263 ( -6.477 7.228 -0.854) 9.743 4.596 ( 6.495 -1.185 -0.003) 6.602 4.658 ( -0.884 -7.418 0.378) 7.480======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( 0.000 6.252 -8.565) 10.604 1.519 ( 0.000 5.496 -10.516) 11.865 1.980 ( -0.000 8.321 7.153) 10.973 2.060 ( 0.000 10.830 -5.205) 12.016 2.609 ( -0.000 8.077 7.776) 11.212 3.039 ( -0.000 6.946 6.271) 9.358 3.644 ( -0.000 3.327 0.250) 3.336 3.763 ( 0.000 -0.766 -0.497) 0.913 4.038 ( 0.000 0.179 -0.453) 0.487 4.265 ( -0.000 -6.824 4.192) 8.009 4.503 ( 0.000 -8.411 -0.997) 8.470 5.271 ( 0.000 -3.759 -7.955) 8.798======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 1.137 6.061 -6.142) 8.704 1.688 ( 12.572 3.289 -10.247) 16.549 2.077 ( -0.579 9.631 6.502) 11.635 2.168 ( 1.385 10.534 -1.929) 10.798 2.660 ( -1.525 0.340 5.911) 6.114 3.135 ( 0.085 7.845 4.592) 9.090 3.693 ( 1.582 3.281 0.660) 3.702 3.759 ( 0.388 0.036 -0.677) 0.781 4.032 ( -0.566 -0.609 -1.294) 1.538 4.228 ( 3.918 -9.661 4.434) 11.329 4.449 ( -0.484 -0.938 -1.983) 2.246 5.157 ( -5.798 -4.715 -5.990) 9.577======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( 6.332 7.324 -1.746) 9.838 1.910 ( 13.159 1.103 -7.530) 15.202 2.209 ( 2.640 11.736 5.441) 13.203 2.286 ( 2.067 8.154 -1.045) 8.477 2.619 ( -2.248 -4.195 5.106) 6.980 3.192 ( -1.856 4.912 0.050) 5.251 3.751 ( 1.194 2.235 1.257) 2.828 3.773 ( 1.244 0.427 -0.703) 1.491 3.999 ( -1.672 -0.930 -1.381) 2.360 4.245 ( 6.940 -7.803 2.576) 10.756 4.454 ( -0.508 4.239 -1.048) 4.396 4.968 ( -8.665 -5.400 -3.380) 10.755======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 6.766 7.249 -0.238) 9.919 2.068 ( 5.744 2.100 -2.048) 6.450 2.372 ( 1.406 4.355 0.516) 4.606 2.394 ( 2.820 3.607 0.055) 4.579 2.599 ( 4.606 2.257 3.990) 6.498 3.179 ( -2.891 2.572 -1.899) 4.310 3.765 ( -0.060 -0.943 0.769) 1.219 3.805 ( 1.031 1.128 -0.364) 1.571 3.961 ( -1.644 -0.069 -0.832) 1.844 4.314 ( 6.649 -3.586 1.050) 7.627 4.494 ( -0.489 5.259 -0.341) 5.293 4.763 ( -7.708 -5.898 -1.079) 9.766======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( 3.242 5.615 -0.000) 6.484 2.152 ( 1.960 3.396 0.000) 3.921 2.337 ( -3.449 -5.973 -0.000) 6.897 2.405 ( 0.068 0.118 -0.000) 0.137 2.836 ( 7.612 13.185 -0.000) 15.224 3.161 ( 0.185 0.320 -0.000) 0.369 3.748 ( -0.721 -1.248 -0.000) 1.441 3.813 ( -0.328 -0.568 -0.000) 0.655 3.943 ( -0.091 -0.158 -0.000) 0.183 4.382 ( 1.281 2.219 -0.000) 2.562 4.517 ( -0.031 -0.054 -0.000) 0.062 4.620 ( -2.401 -4.159 -0.000) 4.803======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( 0.000 2.846 -8.782) 9.231 1.569 ( 0.000 5.046 -4.342) 6.657 2.173 ( -0.000 7.356 3.588) 8.184 2.256 ( -0.000 9.951 -0.426) 9.960 2.676 ( -0.000 -4.575 6.803) 8.198 3.230 ( -0.000 8.091 2.619) 8.505 3.712 ( -0.000 3.211 0.319) 3.227 3.750 ( 0.000 -0.142 -0.665) 0.680 4.028 ( 0.000 -0.442 -1.628) 1.687 4.104 ( 0.000 -10.036 3.694) 10.694 4.468 ( -0.000 4.511 -1.516) 4.759 5.136 ( 0.000 -6.120 -4.989) 7.895======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( 4.693 4.884 -2.739) 7.306 1.700 ( 10.153 3.569 -3.333) 11.266 2.262 ( 2.248 6.047 1.617) 6.651 2.345 ( 0.284 7.653 0.170) 7.660 2.619 ( -1.666 -7.296 6.602) 9.980 3.281 ( -2.148 5.458 -1.339) 6.016 3.748 ( 1.394 0.783 -1.149) 1.969 3.762 ( 0.631 1.654 1.118) 2.094 4.007 ( -0.434 -1.498 -1.252) 2.000 4.073 ( 4.464 -6.202 1.872) 7.867 4.520 ( -0.706 7.638 -0.320) 7.677 5.017 ( -4.906 -6.772 -3.273) 8.980======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 7.939 4.224 -1.185) 9.070 1.927 ( 11.732 3.899 -0.340) 12.368 2.360 ( 2.872 1.482 -2.017) 3.810 2.414 ( 0.630 5.031 1.388) 5.257 2.556 ( 1.351 -4.816 6.887) 8.512 3.267 ( -3.530 4.139 -3.491) 6.463 3.752 ( 0.109 -1.817 -0.248) 1.837 3.800 ( 1.036 1.847 0.452) 2.166 3.990 ( -1.089 1.043 -1.497) 2.124 4.135 ( 8.462 -4.501 1.258) 9.667 4.578 ( -1.846 7.858 0.299) 8.078 4.837 ( -7.463 -6.411 -1.558) 9.961======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( -0.000 5.390 0.336) 5.401 1.653 ( -0.000 4.633 0.830) 4.707 2.283 ( -0.000 2.772 -0.683) 2.855 2.409 ( -0.000 5.431 0.213) 5.435 2.571 ( -0.000 -8.849 6.066) 10.729 3.335 ( 0.000 3.043 -4.281) 5.252 3.735 ( 0.000 0.155 -1.484) 1.492 3.779 ( -0.000 2.071 1.281) 2.435 3.952 ( 0.000 -5.553 1.632) 5.788 4.032 ( 0.000 0.489 -1.495) 1.573 4.615 ( -0.000 9.937 0.579) 9.953 4.978 ( 0.000 -7.714 -2.337) 8.060======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 3.484 4.586 1.796) 6.032 1.798 ( 9.563 6.015 4.087) 12.014 2.312 ( 2.258 -0.594 -2.839) 3.676 2.448 ( 0.468 2.211 0.795) 2.396 2.503 ( -0.311 -7.204 5.034) 8.794 3.325 ( -1.321 1.632 -6.084) 6.436 3.733 ( 0.069 -0.896 -1.021) 1.360 3.805 ( 0.626 1.379 1.145) 1.898 3.955 ( 4.762 -2.376 0.999) 5.415 4.035 ( 0.185 0.630 -1.362) 1.512 4.698 ( -1.808 8.791 1.026) 9.033 4.866 ( -4.086 -6.361 -1.301) 7.671======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( -0.000 8.562 7.322) 11.266 1.755 ( -0.000 4.049 4.643) 6.161 2.263 ( 0.000 -3.472 -4.052) 5.336 2.425 ( -0.000 -5.264 2.479) 5.818 2.480 ( -0.000 -1.573 1.482) 2.161 3.313 ( 0.000 -0.796 -7.996) 8.035 3.726 ( 0.000 -0.226 -1.244) 1.264 3.812 ( -0.000 0.482 1.188) 1.282 3.892 ( -0.000 -1.799 1.657) 2.446 4.045 ( 0.000 1.747 -1.775) 2.490 4.753 ( 0.000 -3.850 1.014) 3.982 4.889 ( -0.000 6.585 -0.568) 6.609======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.724 ( -0.000 0.000 16.982) 16.982 0.724 ( -0.000 0.000 16.982) 16.982 1.209 ( -0.000 0.000 29.845) 29.845 1.890 ( 0.000 -0.000 -7.329) 7.329 1.890 ( 0.000 -0.000 -7.329) 7.329 3.240 ( 0.000 -0.000 -19.807) 19.807 3.553 ( 0.000 -0.000 -0.519) 0.519 3.553 ( 0.000 -0.000 -0.519) 0.519 3.820 ( -0.000 0.000 1.280) 1.280 3.820 ( -0.000 0.000 1.280) 1.280 4.914 ( -0.000 0.000 6.975) 6.975 5.747 ( 0.000 -0.000 -1.220) 1.220======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.730 ( 1.203 0.695 15.976) 16.036 0.912 ( 5.346 3.086 18.708) 19.700 1.385 ( 7.853 4.534 12.709) 15.612 1.896 ( 5.594 3.229 -1.819) 6.710 1.926 ( 2.891 1.669 -6.922) 7.686 2.964 ( -6.576 -3.797 -9.953) 12.519 3.562 ( 0.609 0.352 -0.766) 1.040 3.808 ( -1.103 -0.637 1.412) 1.901 3.869 ( 7.329 4.231 1.373) 8.573 4.054 ( 21.233 12.259 -15.120) 28.805 4.955 ( 1.867 1.078 5.020) 5.463 5.619 ( -10.484 -6.053 -1.555) 12.205======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( 6.811 3.932 11.964) 14.317 1.047 ( 1.842 1.063 18.431) 18.553 1.584 ( 10.339 5.969 -10.335) 15.790 1.977 ( 3.417 1.973 -6.121) 7.282 2.148 ( 14.261 8.234 9.426) 18.974 2.894 ( 1.700 0.982 -8.088) 8.323 3.578 ( 1.188 0.686 -1.113) 1.767 3.783 ( -1.484 -0.857 1.559) 2.317 4.008 ( 4.580 2.644 1.409) 5.473 4.340 ( 7.765 4.483 -9.255) 12.886 5.013 ( 1.156 0.668 4.935) 5.112 5.314 ( -14.667 -8.468 -5.239) 17.728======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 9.718 5.611 7.566) 13.534 1.140 ( 3.383 1.953 10.224) 10.945 1.806 ( 11.816 6.822 -8.307) 15.974 2.043 ( 3.910 2.257 -4.817) 6.601 2.498 ( 13.274 7.664 6.129) 16.508 2.967 ( 6.152 3.552 -3.928) 8.117 3.611 ( 2.123 1.225 -1.298) 2.773 3.755 ( -1.317 -0.760 1.582) 2.195 4.070 ( 0.911 0.526 -0.730) 1.280 4.399 ( 0.465 0.268 -3.707) 3.746 4.864 ( -17.474 -10.089 4.764) 20.733 5.118 ( 0.566 0.327 -5.054) 5.096======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 6.173 3.564 4.891) 8.644 1.324 ( 9.711 5.607 3.684) 11.803 2.045 ( 10.848 6.263 -3.378) 12.973 2.122 ( 4.224 2.439 -2.844) 5.647 2.731 ( 6.373 3.680 -0.060) 7.359 3.121 ( 6.992 4.037 0.142) 8.075 3.663 ( 2.733 1.578 -1.139) 3.355 3.737 ( -0.597 -0.345 1.347) 1.513 4.057 ( -1.390 -0.802 -1.608) 2.272 4.384 ( -0.628 -0.363 -3.184) 3.266 4.474 ( -15.779 -9.110 1.801) 18.309 5.120 ( -0.830 -0.479 0.581) 1.120======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( 7.176 4.143 0.846) 8.329 1.527 ( 7.723 4.459 0.213) 8.920 2.208 ( 3.669 2.118 -0.297) 4.247 2.259 ( 8.640 4.988 -0.939) 10.020 2.771 ( -2.513 -1.451 -3.327) 4.414 3.237 ( 2.988 1.725 2.015) 3.995 3.710 ( 1.043 0.602 0.500) 1.304 3.747 ( 1.664 0.961 -0.328) 1.949 4.016 ( -1.507 -0.870 -0.457) 1.799 4.152 ( -10.481 -6.051 -0.926) 12.137 4.452 ( 5.335 3.080 -0.069) 6.161 5.072 ( -3.781 -2.183 1.508) 4.619======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 7.223 4.170 -3.618) 9.091 1.668 ( 5.327 3.075 -2.625) 6.687 2.270 ( 1.253 0.724 2.175) 2.613 2.411 ( 4.715 2.722 -0.299) 5.452 2.624 ( -8.032 -4.637 -5.406) 10.735 3.287 ( 0.821 0.474 6.106) 6.179 3.722 ( 0.137 0.079 1.277) 1.287 3.790 ( 1.842 1.064 -1.158) 2.422 3.964 ( -4.239 -2.448 -0.935) 4.984 4.020 ( -0.421 -0.243 1.039) 1.147 4.621 ( 9.050 5.225 -0.599) 10.467 4.962 ( -6.167 -3.560 1.104) 7.206======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( -0.000 7.090 15.807) 17.325 0.963 ( -0.000 9.262 10.839) 14.257 1.449 ( -0.000 7.862 17.391) 19.085 1.804 ( 0.000 -1.556 -6.289) 6.479 1.949 ( 0.000 6.953 -4.311) 8.181 2.939 ( 0.000 -7.236 -10.297) 12.585 3.546 ( 0.000 0.057 -0.275) 0.281 3.809 ( -0.000 7.657 0.252) 7.661 3.824 ( -0.000 -0.630 0.890) 1.090 4.043 ( 0.000 21.262 -10.629) 23.770 4.970 ( -0.000 1.461 4.720) 4.941 5.634 ( 0.000 -9.271 -2.377) 9.571======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( -1.183 10.647 10.787) 15.203 1.137 ( 2.581 8.573 15.151) 17.599 1.521 ( -0.504 7.415 -5.650) 9.336 1.889 ( 7.986 1.500 -5.120) 9.605 2.067 ( 7.090 9.272 6.085) 13.163 2.862 ( -0.049 0.023 -7.929) 7.929 3.566 ( 1.317 0.712 -0.395) 1.549 3.788 ( -1.245 -1.214 0.644) 1.855 3.957 ( 5.602 3.714 2.284) 7.099 4.246 ( 6.527 10.541 -9.138) 15.402 5.000 ( 1.228 -0.608 4.296) 4.509 5.438 ( -10.193 -9.341 -4.776) 14.627======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 3.136 10.405 5.715) 12.279 1.251 ( -3.575 9.994 14.875) 18.274 1.659 ( 10.279 8.368 -9.015) 16.029 1.985 ( 4.466 2.825 -7.726) 9.361 2.370 ( 12.737 8.571 7.271) 16.987 2.897 ( 4.190 3.606 -4.376) 7.050 3.598 ( 1.260 1.932 -0.589) 2.380 3.761 ( -0.555 -1.615 0.750) 1.865 4.050 ( 2.101 1.105 0.168) 2.379 4.365 ( 2.905 1.736 -3.995) 5.236 4.988 ( -3.797 -10.432 9.196) 14.416 5.150 ( -9.757 -1.181 -10.004) 14.023======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( 4.533 7.915 2.895) 9.570 1.369 ( -0.459 14.202 10.597) 17.726 1.912 ( 11.551 7.724 -3.444) 14.316 2.070 ( 4.685 3.611 -6.185) 8.558 2.632 ( 9.055 3.957 0.473) 9.893 3.033 ( 7.319 4.379 -0.490) 8.543 3.644 ( 1.786 2.801 -0.696) 3.395 3.744 ( -0.288 -0.740 0.966) 1.250 4.059 ( -0.486 -0.870 -1.195) 1.556 4.376 ( 0.003 -0.492 -2.377) 2.427 4.674 ( -16.664 -9.787 0.777) 19.341 5.099 ( 0.986 -2.315 0.244) 2.528======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( 4.013 8.014 3.143) 9.498 1.541 ( 1.339 13.310 4.830) 14.222 2.147 ( 8.417 5.300 -1.000) 9.997 2.180 ( 5.776 5.533 -3.260) 8.638 2.744 ( 2.848 -1.328 -2.964) 4.320 3.177 ( 5.648 1.572 0.078) 5.863 3.703 ( 1.833 2.918 -0.555) 3.490 3.744 ( 0.023 0.579 1.016) 1.169 4.026 ( -1.240 -1.523 -0.740) 2.099 4.306 ( -12.426 -3.433 -3.351) 13.320 4.414 ( 0.408 0.167 1.537) 1.599 5.074 ( -0.332 -5.434 2.379) 5.941======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( 2.985 7.549 1.312) 8.223 1.687 ( 0.898 11.395 -0.209) 11.432 2.268 ( 2.583 4.134 0.218) 4.879 2.348 ( 6.466 4.334 -0.575) 7.805 2.675 ( -5.139 -4.937 -5.636) 9.085 3.262 ( 3.910 -0.384 2.967) 4.923 3.738 ( -0.512 1.406 1.077) 1.844 3.771 ( 1.656 1.699 -0.796) 2.502 3.997 ( -0.707 -1.188 0.778) 1.587 4.089 ( -8.772 0.305 -1.459) 8.898 4.519 ( 7.559 3.553 -0.033) 8.352 4.993 ( -2.902 -6.996 2.002) 7.834======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( -0.000 12.259 10.586) 16.197 1.186 ( -0.000 9.673 0.508) 9.686 1.666 ( 0.000 10.593 -7.283) 12.855 1.776 ( -0.000 1.345 -0.215) 1.363 2.121 ( -0.000 10.329 7.637) 12.846 2.849 ( 0.000 2.116 -5.752) 6.129 3.555 ( -0.000 1.020 -0.023) 1.020 3.809 ( 0.000 -1.260 0.330) 1.303 3.946 ( -0.000 5.239 3.022) 6.048 4.268 ( 0.000 7.693 -5.330) 9.359 4.978 ( -0.000 -5.540 5.150) 7.564 5.420 ( 0.000 -7.591 -8.257) 11.217======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( -2.092 10.343 0.451) 10.562 1.393 ( 6.543 10.429 5.228) 13.376 1.657 ( -3.331 11.334 -4.674) 12.705 1.894 ( 6.068 3.091 -7.359) 10.026 2.320 ( 6.831 11.123 9.754) 16.295 2.881 ( 1.462 5.008 -2.497) 5.784 3.587 ( 1.882 1.676 0.141) 2.524 3.771 ( -2.024 -0.740 -0.035) 2.156 4.026 ( 2.428 1.814 1.560) 3.408 4.330 ( 2.195 2.258 -1.748) 3.601 4.914 ( 0.451 -12.941 7.124) 14.779 5.268 ( -7.849 -2.187 -10.683) 13.436======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 2.392 9.400 -1.282) 9.784 1.589 ( -0.474 15.575 9.547) 18.274 1.802 ( 8.580 9.274 -3.192) 13.031 1.991 ( 5.374 3.647 -8.229) 10.484 2.549 ( 6.404 6.371 3.197) 9.583 2.982 ( 4.302 5.819 0.896) 7.292 3.642 ( 1.961 2.680 0.292) 3.334 3.745 ( -0.515 -0.046 -0.202) 0.555 4.052 ( 0.067 -0.732 -0.292) 0.791 4.359 ( 0.820 -0.440 -0.873) 1.276 4.761 ( -5.168 -14.934 4.502) 16.432 5.105 ( -5.794 -0.490 -5.939) 8.311======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 4.293 9.900 0.545) 10.804 1.744 ( -3.550 16.809 9.783) 19.770 2.041 ( 11.118 6.056 -3.431) 13.117 2.116 ( 6.503 6.365 -5.190) 10.475 2.665 ( 3.622 0.010 -1.185) 3.811 3.110 ( 4.419 3.028 0.546) 5.384 3.703 ( 1.724 3.181 0.101) 3.620 3.751 ( 0.424 1.036 0.324) 1.165 4.026 ( -1.090 -1.912 -0.597) 2.280 4.364 ( 0.508 0.806 -1.359) 1.659 4.512 ( -10.634 -7.237 0.315) 12.867 5.019 ( -0.825 -6.030 0.678) 6.124======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( 2.983 10.111 1.413) 10.637 1.850 ( -3.848 13.710 5.420) 15.236 2.247 ( 6.632 7.066 -2.397) 9.983 2.284 ( 6.446 5.865 -1.217) 8.799 2.662 ( -0.766 -4.075 -4.401) 6.046 3.188 ( 4.075 -0.470 0.865) 4.192 3.758 ( 1.508 2.488 -0.309) 2.925 3.767 ( -0.392 1.124 0.594) 1.330 3.990 ( -0.397 -1.973 0.474) 2.068 4.268 ( -10.739 1.246 -2.234) 11.040 4.446 ( 4.476 2.137 0.695) 5.008 4.942 ( -0.359 -9.202 2.114) 9.449======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( 0.000 8.224 -8.372) 11.735 1.360 ( -0.000 8.004 -1.905) 8.227 1.810 ( 0.000 12.255 -10.980) 16.454 1.866 ( -0.000 5.613 6.657) 8.708 2.417 ( -0.000 12.759 10.817) 16.727 2.924 ( -0.000 6.661 0.064) 6.661 3.588 ( -0.000 2.364 0.277) 2.380 3.783 ( 0.000 -1.322 -0.327) 1.362 4.028 ( -0.000 1.532 1.827) 2.384 4.325 ( -0.000 0.416 0.945) 1.033 4.784 ( 0.000 -16.415 5.034) 17.170 5.285 ( 0.000 -1.203 -10.759) 10.826======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -0.249 7.775 -6.111) 9.892 1.557 ( 12.132 6.789 -8.130) 16.105 1.896 ( -1.740 12.839 1.849) 13.088 1.965 ( 2.047 7.443 0.257) 7.724 2.575 ( 1.408 8.985 6.341) 11.087 3.007 ( 1.253 7.330 2.682) 7.906 3.633 ( 1.952 2.849 0.493) 3.489 3.759 ( -0.984 -0.330 -0.605) 1.202 4.043 ( 0.242 -0.480 0.437) 0.693 4.336 ( 1.146 -1.217 1.878) 2.514 4.639 ( 0.556 -16.512 3.209) 16.830 5.191 ( -5.837 -1.068 -8.276) 10.183======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( 4.878 8.968 -2.203) 10.444 1.832 ( 15.846 5.311 -9.279) 19.115 1.988 ( -3.031 12.184 7.865) 14.815 2.098 ( 3.807 9.876 -1.118) 10.643 2.649 ( -0.396 2.190 2.298) 3.200 3.104 ( 1.378 5.135 1.857) 5.631 3.701 ( 2.200 2.970 0.583) 3.742 3.755 ( 0.321 1.068 -0.527) 1.233 4.025 ( -1.041 -1.712 -0.331) 2.031 4.353 ( 1.480 -0.273 1.180) 1.912 4.508 ( -0.544 -11.888 1.091) 11.950 5.040 ( -6.991 -3.185 -3.794) 8.568======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 5.634 9.758 -0.000) 11.267 2.014 ( 2.131 3.692 0.000) 4.263 2.181 ( 8.395 14.540 0.000) 16.789 2.255 ( 4.394 7.610 -0.000) 8.788 2.633 ( -1.370 -2.373 -0.000) 2.740 3.149 ( 0.592 1.025 -0.000) 1.184 3.755 ( 1.064 1.842 -0.000) 2.127 3.780 ( 0.893 1.546 -0.000) 1.786 3.983 ( -1.210 -2.096 -0.000) 2.420 4.398 ( -2.608 -4.517 0.000) 5.216 4.402 ( 1.952 3.381 -0.000) 3.905 4.888 ( -4.168 -7.220 -0.000) 8.337======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( 0.000 4.226 -10.622) 11.431 1.430 ( 0.000 7.410 -7.614) 10.624 2.028 ( -0.000 13.078 -1.823) 13.204 2.040 ( -0.000 7.450 6.095) 9.625 2.673 ( -0.000 6.830 6.108) 9.163 3.086 ( -0.000 8.153 4.075) 9.115 3.648 ( -0.000 3.356 0.551) 3.401 3.757 ( 0.000 -0.868 -0.844) 1.210 4.038 ( 0.000 -0.738 0.315) 0.802 4.307 ( -0.000 -5.191 4.812) 7.078 4.494 ( 0.000 -11.312 -0.920) 11.349 5.201 ( 0.000 -2.393 -7.265) 7.649======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 3.136 6.924 -4.609) 8.889 1.602 ( 12.013 4.890 -8.344) 15.423 2.128 ( 0.203 8.519 4.264) 9.529 2.159 ( 1.365 11.005 0.363) 11.095 2.709 ( -2.229 0.968 4.710) 5.300 3.167 ( -0.789 6.584 2.408) 7.054 3.698 ( 1.704 3.250 0.538) 3.709 3.752 ( 0.457 0.122 -0.797) 0.927 4.024 ( -0.635 -1.258 -0.329) 1.447 4.269 ( 3.481 -10.538 4.552) 11.995 4.431 ( -0.177 -0.832 -2.031) 2.202 5.107 ( -5.202 -3.644 -4.808) 7.966======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 0.000 5.507 -5.085) 7.496 1.539 ( -0.000 7.000 -2.369) 7.390 2.198 ( -0.000 5.780 1.992) 6.114 2.254 ( -0.000 10.232 0.186) 10.234 2.732 ( -0.000 -3.902 5.367) 6.636 3.244 ( -0.000 5.582 0.422) 5.598 3.713 ( -0.000 2.455 -0.094) 2.457 3.746 ( -0.000 0.635 -0.195) 0.664 4.017 ( 0.000 -1.021 -0.678) 1.225 4.134 ( 0.000 -11.198 2.791) 11.541 4.456 ( -0.000 5.475 -0.950) 5.557 5.096 ( 0.000 -5.066 -3.708) 6.277======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.863 ( -0.000 0.000 13.529) 13.529 0.863 ( -0.000 0.000 13.529) 13.529 1.459 ( -0.000 0.000 25.026) 25.026 1.823 ( 0.000 -0.000 -7.083) 7.083 1.823 ( 0.000 -0.000 -7.083) 7.083 3.064 ( 0.000 -0.000 -18.550) 18.550 3.549 ( 0.000 -0.000 -0.364) 0.364 3.549 ( 0.000 -0.000 -0.364) 0.364 3.831 ( -0.000 0.000 0.972) 0.972 3.831 ( -0.000 0.000 0.972) 0.972 4.969 ( -0.000 0.000 5.164) 5.164 5.737 ( 0.000 -0.000 -1.050) 1.050======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.867 ( 0.717 0.414 14.014) 14.039 1.060 ( 8.652 4.995 13.042) 16.428 1.461 ( -4.036 -2.330 4.354) 6.378 1.861 ( 3.076 1.776 -7.372) 8.183 1.911 ( 10.505 6.065 4.798) 13.044 2.870 ( -5.161 -2.980 -10.275) 11.878 3.555 ( 0.455 0.263 -0.661) 0.845 3.820 ( -0.997 -0.576 1.122) 1.608 3.881 ( 11.588 6.691 0.912) 13.412 3.944 ( 15.593 9.002 -9.120) 20.183 4.996 ( 1.137 0.657 3.696) 3.922 5.607 ( -10.827 -6.251 -1.039) 12.545======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( 5.324 3.074 12.192) 13.654 1.216 ( -1.189 -0.686 18.476) 18.527 1.480 ( 10.348 5.974 -11.887) 16.854 1.916 ( 3.876 2.238 -7.166) 8.449 2.224 ( 14.174 8.183 6.323) 17.546 2.825 ( 2.843 1.641 -6.542) 7.319 3.568 ( 1.064 0.614 -0.945) 1.550 3.795 ( -1.405 -0.811 1.251) 2.049 4.015 ( 3.844 2.219 -0.058) 4.439 4.267 ( 10.206 5.892 -6.449) 13.434 5.047 ( 2.715 1.568 2.307) 3.892 5.284 ( -16.947 -9.784 -1.017) 19.595======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 7.985 4.610 9.259) 13.067 1.238 ( 1.053 0.608 10.812) 10.880 1.748 ( 13.547 7.821 -4.103) 16.172 1.992 ( 4.704 2.716 -6.340) 8.348 2.528 ( 11.361 6.559 0.112) 13.119 2.936 ( 7.744 4.471 -2.540) 9.296 3.600 ( 2.087 1.205 -1.021) 2.618 3.768 ( -1.301 -0.751 1.271) 1.968 4.060 ( 0.536 0.310 -1.418) 1.547 4.367 ( 1.283 0.741 -3.341) 3.655 4.872 ( -18.495 -10.678 -2.784) 21.537 5.119 ( 1.895 1.094 5.020) 5.476======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( 4.305 2.485 8.590) 9.924 1.368 ( 7.939 4.584 5.928) 10.917 2.025 ( 11.653 6.728 -1.030) 13.496 2.089 ( 5.395 3.115 -4.604) 7.747 2.716 ( 5.622 3.246 -3.330) 7.295 3.113 ( 7.545 4.356 -1.923) 8.922 3.654 ( 2.856 1.649 -0.854) 3.406 3.748 ( -0.730 -0.422 1.133) 1.413 4.044 ( -1.201 -0.694 -1.092) 1.765 4.349 ( -2.625 -1.515 -4.377) 5.324 4.486 ( -12.946 -7.474 0.977) 14.981 5.145 ( -1.090 -0.629 4.809) 4.971======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( -0.000 6.829 14.414) 15.950 1.035 ( -0.000 6.598 4.546) 8.012 1.551 ( -0.000 -0.211 4.388) 4.393 1.761 ( 0.000 -0.238 -2.787) 2.797 1.936 ( -0.000 10.244 2.041) 10.445 2.846 ( 0.000 -4.982 -9.564) 10.784 3.545 ( -0.000 0.109 -0.000) 0.109 3.814 ( -0.000 11.660 1.021) 11.705 3.830 ( -0.000 -0.737 0.408) 0.843 3.969 ( -0.000 16.801 -6.005) 17.841 5.006 ( -0.000 0.959 3.059) 3.206 5.615 ( 0.000 -10.774 -1.714) 10.910======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( -1.307 7.207 8.771) 11.427 1.252 ( 9.450 7.258 9.546) 15.268 1.460 ( -6.634 4.588 -6.441) 10.322 1.835 ( 5.401 1.228 -5.626) 7.895 2.133 ( 8.687 10.951 6.722) 15.510 2.797 ( 0.471 1.557 -5.838) 6.061 3.563 ( 1.017 0.947 -0.216) 1.406 3.792 ( -1.065 -1.440 0.364) 1.827 3.977 ( 4.559 3.695 1.864) 6.157 4.179 ( 7.167 13.047 -5.417) 15.841 5.033 ( 1.406 0.741 2.668) 3.106 5.403 ( -9.969 -12.617 -2.789) 16.320======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 3.552 6.048 5.794) 9.097 1.371 ( -4.232 8.960 10.387) 14.356 1.598 ( 12.520 9.967 -3.465) 16.373 1.915 ( 4.877 2.234 -7.243) 9.013 2.411 ( 10.175 8.448 1.374) 13.296 2.866 ( 5.011 5.265 -2.052) 7.553 3.593 ( 0.943 2.268 -0.468) 2.500 3.767 ( -0.177 -2.002 0.518) 2.076 4.048 ( 1.202 1.230 -0.613) 1.826 4.336 ( 3.057 3.081 -2.359) 4.940 5.054 ( -15.774 -11.060 -4.305) 19.740 5.085 ( 3.299 -1.465 5.261) 6.380======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.288 ( 5.506 5.531 4.796) 9.160 1.469 ( -1.875 13.760 10.862) 17.631 1.895 ( 12.204 8.180 -0.247) 14.693 2.009 ( 5.969 3.269 -6.860) 9.663 2.619 ( 7.637 4.066 -3.289) 9.256 3.025 ( 7.087 5.226 -1.347) 8.908 3.638 ( 1.585 3.083 -0.599) 3.518 3.752 ( 0.010 -0.976 0.793) 1.258 4.050 ( -0.669 -0.615 -0.917) 1.291 4.355 ( -0.464 0.018 -2.229) 2.277 4.665 ( -16.553 -8.781 -2.355) 18.885 5.127 ( 2.196 -3.883 5.582) 7.145======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( 0.000 6.932 -6.288) 9.359 1.226 ( -0.000 7.820 12.093) 14.401 1.561 ( 0.000 7.140 -14.750) 16.387 1.797 ( -0.000 3.413 4.604) 5.731 2.200 ( -0.000 12.831 8.309) 15.286 2.802 ( 0.000 4.044 -3.993) 5.683 3.556 ( -0.000 1.050 0.339) 1.103 3.809 ( 0.000 -1.388 -0.228) 1.407 3.977 ( -0.000 4.787 3.462) 5.908 4.232 ( -0.000 10.429 -2.389) 10.699 5.021 ( -0.000 -3.201 4.214) 5.291 5.350 ( 0.000 -11.763 -7.040) 13.709======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( -0.311 6.626 -2.995) 7.278 1.417 ( 9.742 5.193 -0.133) 11.040 1.611 ( -0.485 14.658 -5.207) 15.563 1.868 ( 1.705 4.010 2.028) 4.806 2.392 ( 4.535 11.503 5.422) 13.502 2.863 ( 1.942 6.985 -1.162) 7.343 3.589 ( 1.778 1.824 0.302) 2.565 3.770 ( -1.953 -0.970 -0.253) 2.195 4.039 ( 1.400 1.478 1.261) 2.395 4.323 ( 1.884 3.757 0.318) 4.215 4.982 ( 1.362 -13.622 7.998) 15.856 5.172 ( -7.446 -2.590 -10.488) 13.120======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( 4.379 7.584 -0.000) 8.757 1.638 ( 6.800 11.779 -0.000) 13.601 1.786 ( 6.107 10.578 -0.000) 12.214 1.948 ( 2.973 5.150 -0.000) 5.947 2.563 ( 3.907 6.767 -0.000) 7.814 2.986 ( 4.053 7.020 -0.000) 8.106 3.644 ( 1.719 2.978 -0.000) 3.439 3.744 ( -0.194 -0.336 -0.000) 0.388 4.051 ( -0.404 -0.700 -0.000) 0.808 4.355 ( 0.082 0.143 -0.000) 0.165 4.784 ( -8.364 -14.487 -0.000) 16.728 5.076 ( -1.028 -1.780 0.000) 2.055======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( 0.000 8.053 -9.696) 12.604 1.322 ( 0.000 2.348 -6.997) 7.380 1.742 ( -0.000 15.464 -3.376) 15.828 1.930 ( -0.000 5.952 7.175) 9.322 2.498 ( -0.000 12.239 6.542) 13.878 2.924 ( -0.000 8.841 0.379) 8.849 3.593 ( -0.000 2.386 0.665) 2.477 3.778 ( 0.000 -1.438 -0.831) 1.661 4.045 ( -0.000 0.803 1.853) 2.020 4.340 ( -0.000 1.467 2.395) 2.809 4.831 ( 0.000 -18.692 5.363) 19.446 5.190 ( 0.000 0.141 -9.773) 9.774======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( -0.000 0.000 7.919) 7.919 0.962 ( -0.000 0.000 7.919) 7.919 1.648 ( -0.000 0.000 15.643) 15.643 1.768 ( 0.000 -0.000 -4.695) 4.695 1.768 ( 0.000 -0.000 -4.695) 4.695 2.919 ( 0.000 -0.000 -12.459) 12.459 3.546 ( 0.000 -0.000 -0.185) 0.185 3.546 ( 0.000 0.000 -0.185) 0.185 3.837 ( -0.000 0.000 0.521) 0.521 3.837 ( -0.000 0.000 0.521) 0.521 5.005 ( -0.000 0.000 2.743) 2.743 5.729 ( 0.000 -0.000 -0.615) 0.615======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.977 ( 1.348 0.778 10.010) 10.130 1.129 ( 10.685 6.169 1.321) 12.408 1.492 ( -9.793 -5.654 4.124) 12.036 1.798 ( 2.677 1.545 -6.086) 6.826 1.960 ( 11.951 6.900 4.197) 14.424 2.794 ( -3.603 -2.080 -5.597) 6.974 3.550 ( 0.306 0.177 -0.481) 0.597 3.828 ( -0.875 -0.505 0.668) 1.211 3.864 ( 20.049 11.575 -4.563) 23.596 3.909 ( 5.530 3.193 0.986) 6.461 5.020 ( 0.806 0.465 1.605) 1.855 5.601 ( -10.760 -6.212 -0.215) 12.427======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 4.967 2.868 10.504) 11.968 1.322 ( -2.163 -1.249 -4.666) 5.293 1.428 ( 11.763 6.791 9.781) 16.738 1.851 ( 3.847 2.221 -6.974) 8.268 2.248 ( 12.711 7.339 -1.428) 14.747 2.788 ( 3.728 2.152 -1.268) 4.488 3.561 ( 0.969 0.560 -0.670) 1.305 3.805 ( -1.309 -0.756 0.778) 1.701 4.004 ( 3.633 2.097 -2.311) 4.790 4.229 ( 10.596 6.118 -1.808) 12.368 5.050 ( 0.613 0.354 -1.776) 1.912 5.298 ( -14.631 -8.447 4.043) 17.371======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( 0.000 3.660 -3.408) 5.001 1.086 ( -0.000 9.271 9.622) 13.362 1.539 ( 0.000 -7.574 -5.164) 9.167 1.758 ( -0.000 1.675 2.318) 2.860 1.967 ( -0.000 12.723 2.594) 12.984 2.783 ( 0.000 -3.608 -3.383) 4.946 3.546 ( -0.000 0.210 0.256) 0.331 3.830 ( -0.000 16.824 2.651) 17.032 3.831 ( 0.000 -0.868 -0.133) 0.878 3.929 ( -0.000 11.660 -3.215) 12.095 5.024 ( -0.000 0.820 0.808) 1.151 5.603 ( 0.000 -11.846 -0.791) 11.872======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( 2.110 3.654 -0.000) 4.220 1.297 ( 7.295 12.635 -0.000) 14.589 1.427 ( -1.620 -2.806 0.000) 3.240 1.806 ( 1.634 2.830 -0.000) 3.268 2.166 ( 7.009 12.140 -0.000) 14.019 2.768 ( 1.140 1.975 -0.000) 2.280 3.562 ( 0.673 1.165 -0.000) 1.346 3.794 ( -0.908 -1.572 -0.000) 1.815 3.986 ( 2.471 4.280 -0.000) 4.942 4.153 ( 8.011 13.875 -0.000) 16.022 5.045 ( 0.996 1.726 -0.000) 1.992 5.390 ( -8.536 -14.785 -0.000) 17.072======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 3.35e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( -0.000 0.000 0.000) 0.000 0.999 ( -0.000 0.000 0.000) 0.000 1.723 ( -0.000 0.000 0.000) 0.000 1.746 ( -0.000 0.000 0.000) 0.000 1.746 ( -0.000 0.000 0.000) 0.000 2.859 ( -0.000 0.000 0.000) 0.000 3.545 ( -0.000 0.000 0.000) 0.000 3.545 ( -0.000 0.000 0.000) 0.000 3.840 ( -0.000 0.000 0.000) 0.000 3.840 ( -0.000 0.000 0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 5.726 ( -0.000 0.000 0.000) 0.000=================== 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 3/32928 10.0 249.093 249.093 555.844 0.000 -0.000 -0.000 3/32928 20.0 84.226 84.226 82.447 0.000 -0.000 -0.000 3/32928 30.0 42.629 42.629 33.100 0.000 -0.000 -0.000 3/32928 40.0 27.203 27.203 19.527 0.000 -0.000 -0.000 3/32928 50.0 19.803 19.803 13.727 0.000 -0.000 -0.000 3/32928 60.0 15.622 15.622 10.614 0.000 -0.000 -0.000 3/32928 70.0 12.966 12.966 8.690 0.000 -0.000 -0.000 3/32928 80.0 11.129 11.129 7.384 0.000 -0.000 -0.000 3/32928 90.0 9.778 9.778 6.438 0.000 -0.000 -0.000 3/32928 100.0 8.737 8.737 5.718 0.000 -0.000 -0.000 3/32928 110.0 7.909 7.909 5.150 0.000 -0.000 -0.000 3/32928 120.0 7.231 7.231 4.689 0.000 -0.000 -0.000 3/32928 130.0 6.666 6.666 4.307 0.000 -0.000 -0.000 3/32928 140.0 6.185 6.185 3.985 0.000 -0.000 -0.000 3/32928 150.0 5.772 5.772 3.710 0.000 -0.000 -0.000 3/32928 160.0 5.412 5.412 3.471 0.000 -0.000 -0.000 3/32928 170.0 5.095 5.095 3.261 0.000 -0.000 -0.000 3/32928 180.0 4.814 4.814 3.077 0.000 -0.000 -0.000 3/32928 190.0 4.563 4.563 2.912 0.000 -0.000 -0.000 3/32928 200.0 4.338 4.338 2.764 0.000 -0.000 -0.000 3/32928 210.0 4.134 4.134 2.631 0.000 -0.000 -0.000 3/32928 220.0 3.948 3.948 2.511 0.000 -0.000 -0.000 3/32928 230.0 3.779 3.779 2.401 0.000 -0.000 -0.000 3/32928 240.0 3.624 3.624 2.301 0.000 -0.000 -0.000 3/32928 250.0 3.481 3.481 2.208 0.000 -0.000 -0.000 3/32928 260.0 3.349 3.349 2.123 0.000 -0.000 -0.000 3/32928 270.0 3.227 3.227 2.044 0.000 -0.000 -0.000 3/32928 280.0 3.114 3.114 1.971 0.000 -0.000 -0.000 3/32928 290.0 3.008 3.008 1.903 0.000 -0.000 -0.000 3/32928 300.0 2.909 2.909 1.840 0.000 -0.000 -0.000 3/32928 310.0 2.817 2.817 1.781 0.000 -0.000 -0.000 3/32928 320.0 2.730 2.730 1.725 0.000 -0.000 -0.000 3/32928 330.0 2.649 2.649 1.673 0.000 -0.000 -0.000 3/32928 340.0 2.572 2.572 1.624 0.000 -0.000 -0.000 3/32928 350.0 2.500 2.500 1.578 0.000 -0.000 -0.000 3/32928 360.0 2.431 2.431 1.534 0.000 -0.000 -0.000 3/32928 370.0 2.367 2.367 1.493 0.000 -0.000 -0.000 3/32928 380.0 2.305 2.305 1.454 0.000 -0.000 -0.000 3/32928 390.0 2.247 2.247 1.417 0.000 -0.000 -0.000 3/32928 400.0 2.192 2.192 1.381 0.000 -0.000 -0.000 3/32928 410.0 2.139 2.139 1.348 0.000 -0.000 -0.000 3/32928 420.0 2.089 2.089 1.316 0.000 -0.000 -0.000 3/32928 430.0 2.041 2.041 1.285 0.000 -0.000 -0.000 3/32928 440.0 1.995 1.995 1.256 0.000 -0.000 -0.000 3/32928 450.0 1.952 1.952 1.229 0.000 -0.000 -0.000 3/32928 460.0 1.910 1.910 1.202 0.000 -0.000 -0.000 3/32928 470.0 1.870 1.870 1.177 0.000 -0.000 -0.000 3/32928 480.0 1.831 1.831 1.152 0.000 -0.000 -0.000 3/32928 490.0 1.794 1.794 1.129 0.000 -0.000 -0.000 3/32928 500.0 1.759 1.759 1.106 0.000 -0.000 -0.000 3/32928 510.0 1.725 1.725 1.085 0.000 -0.000 -0.000 3/32928 520.0 1.692 1.692 1.064 0.000 -0.000 -0.000 3/32928 530.0 1.661 1.661 1.044 0.000 -0.000 -0.000 3/32928 540.0 1.630 1.630 1.025 0.000 -0.000 -0.000 3/32928 550.0 1.601 1.601 1.006 0.000 -0.000 -0.000 3/32928 560.0 1.573 1.573 0.988 0.000 -0.000 -0.000 3/32928 570.0 1.545 1.545 0.971 0.000 -0.000 -0.000 3/32928 580.0 1.519 1.519 0.954 0.000 -0.000 -0.000 3/32928 590.0 1.494 1.494 0.938 0.000 -0.000 -0.000 3/32928 600.0 1.469 1.469 0.923 0.000 -0.000 -0.000 3/32928 610.0 1.445 1.445 0.908 0.000 -0.000 -0.000 3/32928 620.0 1.422 1.422 0.893 0.000 -0.000 -0.000 3/32928 630.0 1.400 1.400 0.879 0.000 -0.000 -0.000 3/32928 640.0 1.378 1.378 0.865 0.000 -0.000 -0.000 3/32928 650.0 1.357 1.357 0.852 0.000 -0.000 -0.000 3/32928 660.0 1.337 1.337 0.839 0.000 -0.000 -0.000 3/32928 670.0 1.317 1.317 0.827 0.000 -0.000 -0.000 3/32928 680.0 1.298 1.298 0.815 0.000 -0.000 -0.000 3/32928 690.0 1.279 1.279 0.803 0.000 -0.000 -0.000 3/32928 700.0 1.261 1.261 0.792 0.000 -0.000 -0.000 3/32928 710.0 1.244 1.244 0.781 0.000 -0.000 -0.000 3/32928 720.0 1.227 1.227 0.770 0.000 -0.000 -0.000 3/32928 730.0 1.210 1.210 0.759 0.000 -0.000 -0.000 3/32928 740.0 1.194 1.194 0.749 0.000 -0.000 -0.000 3/32928 750.0 1.178 1.178 0.739 0.000 -0.000 -0.000 3/32928 760.0 1.163 1.163 0.729 0.000 -0.000 -0.000 3/32928 770.0 1.148 1.148 0.720 0.000 -0.000 -0.000 3/32928 780.0 1.133 1.133 0.711 0.000 -0.000 -0.000 3/32928 790.0 1.119 1.119 0.702 0.000 -0.000 -0.000 3/32928 800.0 1.105 1.105 0.693 0.000 -0.000 -0.000 3/32928 810.0 1.092 1.092 0.685 0.000 -0.000 -0.000 3/32928 820.0 1.078 1.078 0.676 0.000 -0.000 -0.000 3/32928 830.0 1.065 1.065 0.668 0.000 -0.000 -0.000 3/32928 840.0 1.053 1.053 0.660 0.000 -0.000 -0.000 3/32928 850.0 1.041 1.041 0.653 0.000 -0.000 -0.000 3/32928 860.0 1.029 1.029 0.645 0.000 -0.000 -0.000 3/32928 870.0 1.017 1.017 0.638 0.000 -0.000 -0.000 3/32928 880.0 1.005 1.005 0.630 0.000 -0.000 -0.000 3/32928 890.0 0.994 0.994 0.623 0.000 -0.000 -0.000 3/32928 900.0 0.983 0.983 0.616 0.000 -0.000 -0.000 3/32928 910.0 0.973 0.973 0.610 0.000 -0.000 -0.000 3/32928 920.0 0.962 0.962 0.603 0.000 -0.000 -0.000 3/32928 930.0 0.952 0.952 0.597 0.000 -0.000 -0.000 3/32928 940.0 0.942 0.942 0.590 0.000 -0.000 -0.000 3/32928 950.0 0.932 0.932 0.584 0.000 -0.000 -0.000 3/32928 960.0 0.922 0.922 0.578 0.000 -0.000 -0.000 3/32928 970.0 0.913 0.913 0.572 0.000 -0.000 -0.000 3/32928 980.0 0.904 0.904 0.566 0.000 -0.000 -0.000 3/32928 990.0 0.895 0.895 0.561 0.000 -0.000 -0.000 3/32928 1000.0 0.886 0.886 0.555 0.000 -0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:49:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|