# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/0803c6e6-cfa4-4dbb-ab96-51ccf1a287b3/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 Li2MgBr4 / Cmmm (65) / materials id 29009](https://mdr.nims.go.jp/datasets/7ad210c1-95c7-49d9-b493-41e110aec56f) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 07:47:03]-------------------------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: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmmm (65)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 3.845987440000000 -5.436960970000000 0.000000000000000 b 3.845987440000000 5.436960970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.821663110000000Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 *3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 *4 Br 0.75848805765811 0.75848805765811 0.50000000000000 79.904 5 Br 0.24151194234189 0.24151194234189 0.50000000000000 79.904 *6 Br 0.75577841023524 0.24422158976476 0.00000000000000 79.904 7 Br 0.24422158976476 0.75577841023524 0.00000000000000 79.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.691974880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873921940000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.821663110000000Atomic positions (fractional): *1 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 1 2 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 2 3 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 1 4 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 2 *5 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 3 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 3 *7 Br 0.75848805765811 0.00000000000000 0.50000000000000 79.904 > 4 8 Br 0.24151194234189 0.00000000000000 0.50000000000000 79.904 > 5 *9 Br 0.50000000000000 0.74422158976476 0.00000000000000 79.904 > 6 10 Br 0.50000000000000 0.25577841023524 0.00000000000000 79.904 > 7 11 Br 0.25848805765811 0.50000000000000 0.50000000000000 79.904 > 4 12 Br 0.74151194234189 0.50000000000000 0.50000000000000 79.904 > 5 13 Br 0.00000000000000 0.24422158976476 0.00000000000000 79.904 > 6 14 Br 0.00000000000000 0.75577841023524 0.00000000000000 79.904 > 7-------------------------------- super cell --------------------------------Lattice vectors: a 15.383949760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873921940000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.464989330000000Atomic positions (fractional): *1 Li 0.37500000000000 0.25000000000000 0.16666666666667 6.941 > 1 2 Li 0.87500000000000 0.25000000000000 0.16666666666667 6.941 > 1 3 Li 0.37500000000000 0.25000000000000 0.50000000000000 6.941 > 1 4 Li 0.87500000000000 0.25000000000000 0.50000000000000 6.941 > 1 5 Li 0.37500000000000 0.25000000000000 0.83333333333333 6.941 > 1 6 Li 0.87500000000000 0.25000000000000 0.83333333333333 6.941 > 1 7 Li 0.37500000000000 0.75000000000000 0.16666666666667 6.941 > 2 8 Li 0.87500000000000 0.75000000000000 0.16666666666667 6.941 > 2 9 Li 0.37500000000000 0.75000000000000 0.50000000000000 6.941 > 2 10 Li 0.87500000000000 0.75000000000000 0.50000000000000 6.941 > 2 11 Li 0.37500000000000 0.75000000000000 0.83333333333333 6.941 > 2 12 Li 0.87500000000000 0.75000000000000 0.83333333333333 6.941 > 2 13 Li 0.12500000000000 0.75000000000000 0.16666666666667 6.941 > 1 14 Li 0.62500000000000 0.75000000000000 0.16666666666667 6.941 > 1 15 Li 0.12500000000000 0.75000000000000 0.50000000000000 6.941 > 1 16 Li 0.62500000000000 0.75000000000000 0.50000000000000 6.941 > 1 17 Li 0.12500000000000 0.75000000000000 0.83333333333333 6.941 > 1 18 Li 0.62500000000000 0.75000000000000 0.83333333333333 6.941 > 1 19 Li 0.12500000000000 0.25000000000000 0.16666666666667 6.941 > 2 20 Li 0.62500000000000 0.25000000000000 0.16666666666667 6.941 > 2 21 Li 0.12500000000000 0.25000000000000 0.50000000000000 6.941 > 2 22 Li 0.62500000000000 0.25000000000000 0.50000000000000 6.941 > 2 23 Li 0.12500000000000 0.25000000000000 0.83333333333333 6.941 > 2 24 Li 0.62500000000000 0.25000000000000 0.83333333333333 6.941 > 2 *25 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 3 26 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 3 27 Mg 0.00000000000000 0.00000000000000 0.33333333333333 24.305 > 3 28 Mg 0.50000000000000 0.00000000000000 0.33333333333333 24.305 > 3 29 Mg 0.00000000000000 0.00000000000000 0.66666666666667 24.305 > 3 30 Mg 0.50000000000000 0.00000000000000 0.66666666666667 24.305 > 3 31 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 3 32 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 3 33 Mg 0.25000000000000 0.50000000000000 0.33333333333333 24.305 > 3 34 Mg 0.75000000000000 0.50000000000000 0.33333333333333 24.305 > 3 35 Mg 0.25000000000000 0.50000000000000 0.66666666666667 24.305 > 3 36 Mg 0.75000000000000 0.50000000000000 0.66666666666667 24.305 > 3 *37 Br 0.37924402882906 0.00000000000000 0.16666666666667 79.904 > 4 38 Br 0.87924402882906 0.00000000000000 0.16666666666667 79.904 > 4 39 Br 0.37924402882906 0.00000000000000 0.50000000000000 79.904 > 4 40 Br 0.87924402882906 0.00000000000000 0.50000000000000 79.904 > 4 41 Br 0.37924402882906 0.00000000000000 0.83333333333333 79.904 > 4 42 Br 0.87924402882906 0.00000000000000 0.83333333333333 79.904 > 4 43 Br 0.12075597117094 0.00000000000000 0.16666666666667 79.904 > 5 44 Br 0.62075597117094 0.00000000000000 0.16666666666667 79.904 > 5 45 Br 0.12075597117094 0.00000000000000 0.50000000000000 79.904 > 5 46 Br 0.62075597117094 0.00000000000000 0.50000000000000 79.904 > 5 47 Br 0.12075597117094 0.00000000000000 0.83333333333333 79.904 > 5 48 Br 0.62075597117094 0.00000000000000 0.83333333333333 79.904 > 5 *49 Br 0.25000000000000 0.74422158976476 0.00000000000000 79.904 > 6 50 Br 0.75000000000000 0.74422158976476 0.00000000000000 79.904 > 6 51 Br 0.25000000000000 0.74422158976476 0.33333333333333 79.904 > 6 52 Br 0.75000000000000 0.74422158976476 0.33333333333333 79.904 > 6 53 Br 0.25000000000000 0.74422158976476 0.66666666666667 79.904 > 6 54 Br 0.75000000000000 0.74422158976476 0.66666666666667 79.904 > 6 55 Br 0.25000000000000 0.25577841023524 0.00000000000000 79.904 > 7 56 Br 0.75000000000000 0.25577841023524 0.00000000000000 79.904 > 7 57 Br 0.25000000000000 0.25577841023524 0.33333333333333 79.904 > 7 58 Br 0.75000000000000 0.25577841023524 0.33333333333333 79.904 > 7 59 Br 0.25000000000000 0.25577841023524 0.66666666666667 79.904 > 7 60 Br 0.75000000000000 0.25577841023524 0.66666666666667 79.904 > 7 61 Br 0.12924402882906 0.50000000000000 0.16666666666667 79.904 > 4 62 Br 0.62924402882906 0.50000000000000 0.16666666666667 79.904 > 4 63 Br 0.12924402882906 0.50000000000000 0.50000000000000 79.904 > 4 64 Br 0.62924402882906 0.50000000000000 0.50000000000000 79.904 > 4 65 Br 0.12924402882906 0.50000000000000 0.83333333333333 79.904 > 4 66 Br 0.62924402882906 0.50000000000000 0.83333333333333 79.904 > 4 67 Br 0.37075597117094 0.50000000000000 0.16666666666667 79.904 > 5 68 Br 0.87075597117094 0.50000000000000 0.16666666666667 79.904 > 5 69 Br 0.37075597117094 0.50000000000000 0.50000000000000 79.904 > 5 70 Br 0.87075597117094 0.50000000000000 0.50000000000000 79.904 > 5 71 Br 0.37075597117094 0.50000000000000 0.83333333333333 79.904 > 5 72 Br 0.87075597117094 0.50000000000000 0.83333333333333 79.904 > 5 73 Br 0.00000000000000 0.24422158976476 0.00000000000000 79.904 > 6 74 Br 0.50000000000000 0.24422158976476 0.00000000000000 79.904 > 6 75 Br 0.00000000000000 0.24422158976476 0.33333333333333 79.904 > 6 76 Br 0.50000000000000 0.24422158976476 0.33333333333333 79.904 > 6 77 Br 0.00000000000000 0.24422158976476 0.66666666666667 79.904 > 6 78 Br 0.50000000000000 0.24422158976476 0.66666666666667 79.904 > 6 79 Br 0.00000000000000 0.75577841023524 0.00000000000000 79.904 > 7 80 Br 0.50000000000000 0.75577841023524 0.00000000000000 79.904 > 7 81 Br 0.00000000000000 0.75577841023524 0.33333333333333 79.904 > 7 82 Br 0.50000000000000 0.75577841023524 0.33333333333333 79.904 > 7 83 Br 0.00000000000000 0.75577841023524 0.66666666666667 79.904 > 7 84 Br 0.50000000000000 0.75577841023524 0.66666666666667 79.904 > 7----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.4307001 0.0000000 0.0000000 0.0000000 3.4874991 0.0000000 0.0000000 0.0000000 3.5999620-------------------------- Born effective charges -------------------------- 1 Li 1.2326428 -0.2165507 0.0000000 -0.2211723 1.2251192 0.0000000 0.0000000 0.0000000 1.2357442 2 Li 1.2326428 0.2165507 0.0000000 0.2211723 1.2251192 0.0000000 0.0000000 0.0000000 1.2357442 3 Mg 1.7422650 0.0000000 0.0000000 0.0000000 2.0252144 0.0000000 0.0000000 0.0000000 2.3410379 4 Br -0.9249965 0.0000000 0.0000000 0.0000000 -1.1880369 0.0000000 0.0000000 0.0000000 -1.1725204 5 Br -0.9249965 0.0000000 0.0000000 0.0000000 -1.1880369 0.0000000 0.0000000 0.0000000 -1.1725204 6 Br -1.1787788 0.0000000 0.0000000 0.0000000 -1.0496895 0.0000000 0.0000000 0.0000000 -1.2337428 7 Br -1.1787788 0.0000000 0.0000000 0.0000000 -1.0496895 0.0000000 0.0000000 0.0000000 -1.2337428----------------------------------------------------------------------------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: 252/252Permutation basis: 3360/3360Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 427Number of blocks in projector: 429Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 7--- Eigsh_solver_block: 1 / 7 ---Block_size: 86Use standard eigh solver.--- Eigsh_solver_block: 2 / 7 ---Block_size: 86Use standard eigh solver.--- Eigsh_solver_block: 3 / 7 ---Block_size: 86Use standard eigh solver.--- Eigsh_solver_block: 4 / 7 ---Block_size: 76Use standard eigh solver.--- Eigsh_solver_block: 5 / 7 ---Block_size: 50Use standard eigh solver.--- Eigsh_solver_block: 6 / 7 ---Block_size: 42Use standard eigh solver.--- Eigsh_solver_block: 7 / 7 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (427, 413), data: False|-- (1, 1), data: True|-- (42, 42), data: True|-- (50, 50), data: True|-- (76, 74), data: True|-- (86, 82), data: True|-- (86, 82), data: True|-- (86, 82), data: True-----Solver_atoms: 1 -- 84 / 84Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 160 - Time: 0.223Solver_block: 160 / 160 - Time: 0.165Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.394--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 252/252Permutation basis: 3360/3360Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 427Number of blocks in projector: 429Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 7--- Eigsh_solver_block: 1 / 7 ---Block_size: 86Use standard eigh solver.--- Eigsh_solver_block: 2 / 7 ---Block_size: 86Use standard eigh solver.--- Eigsh_solver_block: 3 / 7 ---Block_size: 86Use standard eigh solver.--- Eigsh_solver_block: 4 / 7 ---Block_size: 76Use standard eigh solver.--- Eigsh_solver_block: 5 / 7 ---Block_size: 50Use standard eigh solver.--- Eigsh_solver_block: 6 / 7 ---Block_size: 42Use standard eigh solver.--- Eigsh_solver_block: 7 / 7 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (427, 413), data: False|-- (1, 1), data: True|-- (42, 42), data: True|-- (50, 50), data: True|-- (76, 74), data: True|-- (86, 82), data: True|-- (86, 82), data: True|-- (86, 82), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 07:47:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:47:09]-------------------------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): [2 1 3]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmmm (65)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.845987440000000 -5.436960970000000 0.000000000000000 b 3.845987440000000 5.436960970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.821663110000000Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 Br 0.75848805765811 0.75848805765811 0.50000000000000 79.904 5 Br 0.24151194234189 0.24151194234189 0.50000000000000 79.904 6 Br 0.75577841023524 0.24422158976476 0.00000000000000 79.904 7 Br 0.24422158976476 0.75577841023524 0.00000000000000 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 15.383949760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873921940000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.464989330000000Atomic positions (fractional): 1 Li 0.37500000000000 0.25000000000000 0.16666666666667 6.941 > 1 2 Li 0.87500000000000 0.25000000000000 0.16666666666667 6.941 > 1 3 Li 0.37500000000000 0.25000000000000 0.50000000000000 6.941 > 1 4 Li 0.87500000000000 0.25000000000000 0.50000000000000 6.941 > 1 5 Li 0.37500000000000 0.25000000000000 0.83333333333333 6.941 > 1 6 Li 0.87500000000000 0.25000000000000 0.83333333333333 6.941 > 1 7 Li 0.37500000000000 0.75000000000000 0.16666666666667 6.941 > 7 8 Li 0.87500000000000 0.75000000000000 0.16666666666667 6.941 > 7 9 Li 0.37500000000000 0.75000000000000 0.50000000000000 6.941 > 7 10 Li 0.87500000000000 0.75000000000000 0.50000000000000 6.941 > 7 11 Li 0.37500000000000 0.75000000000000 0.83333333333333 6.941 > 7 12 Li 0.87500000000000 0.75000000000000 0.83333333333333 6.941 > 7 13 Li 0.12500000000000 0.75000000000000 0.16666666666667 6.941 > 1 14 Li 0.62500000000000 0.75000000000000 0.16666666666667 6.941 > 1 15 Li 0.12500000000000 0.75000000000000 0.50000000000000 6.941 > 1 16 Li 0.62500000000000 0.75000000000000 0.50000000000000 6.941 > 1 17 Li 0.12500000000000 0.75000000000000 0.83333333333333 6.941 > 1 18 Li 0.62500000000000 0.75000000000000 0.83333333333333 6.941 > 1 19 Li 0.12500000000000 0.25000000000000 0.16666666666667 6.941 > 7 20 Li 0.62500000000000 0.25000000000000 0.16666666666667 6.941 > 7 21 Li 0.12500000000000 0.25000000000000 0.50000000000000 6.941 > 7 22 Li 0.62500000000000 0.25000000000000 0.50000000000000 6.941 > 7 23 Li 0.12500000000000 0.25000000000000 0.83333333333333 6.941 > 7 24 Li 0.62500000000000 0.25000000000000 0.83333333333333 6.941 > 7 25 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 25 26 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 25 27 Mg 0.00000000000000 0.00000000000000 0.33333333333333 24.305 > 25 28 Mg 0.50000000000000 0.00000000000000 0.33333333333333 24.305 > 25 29 Mg 0.00000000000000 0.00000000000000 0.66666666666667 24.305 > 25 30 Mg 0.50000000000000 0.00000000000000 0.66666666666667 24.305 > 25 31 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 25 32 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 25 33 Mg 0.25000000000000 0.50000000000000 0.33333333333333 24.305 > 25 34 Mg 0.75000000000000 0.50000000000000 0.33333333333333 24.305 > 25 35 Mg 0.25000000000000 0.50000000000000 0.66666666666667 24.305 > 25 36 Mg 0.75000000000000 0.50000000000000 0.66666666666667 24.305 > 25 37 Br 0.37924402882906 0.00000000000000 0.16666666666667 79.904 > 37 38 Br 0.87924402882906 0.00000000000000 0.16666666666667 79.904 > 37 39 Br 0.37924402882906 0.00000000000000 0.50000000000000 79.904 > 37 40 Br 0.87924402882906 0.00000000000000 0.50000000000000 79.904 > 37 41 Br 0.37924402882906 0.00000000000000 0.83333333333333 79.904 > 37 42 Br 0.87924402882906 0.00000000000000 0.83333333333333 79.904 > 37 43 Br 0.12075597117094 0.00000000000000 0.16666666666667 79.904 > 43 44 Br 0.62075597117094 0.00000000000000 0.16666666666667 79.904 > 43 45 Br 0.12075597117094 0.00000000000000 0.50000000000000 79.904 > 43 46 Br 0.62075597117094 0.00000000000000 0.50000000000000 79.904 > 43 47 Br 0.12075597117094 0.00000000000000 0.83333333333333 79.904 > 43 48 Br 0.62075597117094 0.00000000000000 0.83333333333333 79.904 > 43 49 Br 0.25000000000000 0.74422158976476 0.00000000000000 79.904 > 49 50 Br 0.75000000000000 0.74422158976476 0.00000000000000 79.904 > 49 51 Br 0.25000000000000 0.74422158976476 0.33333333333333 79.904 > 49 52 Br 0.75000000000000 0.74422158976476 0.33333333333333 79.904 > 49 53 Br 0.25000000000000 0.74422158976476 0.66666666666667 79.904 > 49 54 Br 0.75000000000000 0.74422158976476 0.66666666666667 79.904 > 49 55 Br 0.25000000000000 0.25577841023524 0.00000000000000 79.904 > 55 56 Br 0.75000000000000 0.25577841023524 0.00000000000000 79.904 > 55 57 Br 0.25000000000000 0.25577841023524 0.33333333333333 79.904 > 55 58 Br 0.75000000000000 0.25577841023524 0.33333333333333 79.904 > 55 59 Br 0.25000000000000 0.25577841023524 0.66666666666667 79.904 > 55 60 Br 0.75000000000000 0.25577841023524 0.66666666666667 79.904 > 55 61 Br 0.12924402882906 0.50000000000000 0.16666666666667 79.904 > 37 62 Br 0.62924402882906 0.50000000000000 0.16666666666667 79.904 > 37 63 Br 0.12924402882906 0.50000000000000 0.50000000000000 79.904 > 37 64 Br 0.62924402882906 0.50000000000000 0.50000000000000 79.904 > 37 65 Br 0.12924402882906 0.50000000000000 0.83333333333333 79.904 > 37 66 Br 0.62924402882906 0.50000000000000 0.83333333333333 79.904 > 37 67 Br 0.37075597117094 0.50000000000000 0.16666666666667 79.904 > 43 68 Br 0.87075597117094 0.50000000000000 0.16666666666667 79.904 > 43 69 Br 0.37075597117094 0.50000000000000 0.50000000000000 79.904 > 43 70 Br 0.87075597117094 0.50000000000000 0.50000000000000 79.904 > 43 71 Br 0.37075597117094 0.50000000000000 0.83333333333333 79.904 > 43 72 Br 0.87075597117094 0.50000000000000 0.83333333333333 79.904 > 43 73 Br 0.00000000000000 0.24422158976476 0.00000000000000 79.904 > 49 74 Br 0.50000000000000 0.24422158976476 0.00000000000000 79.904 > 49 75 Br 0.00000000000000 0.24422158976476 0.33333333333333 79.904 > 49 76 Br 0.50000000000000 0.24422158976476 0.33333333333333 79.904 > 49 77 Br 0.00000000000000 0.24422158976476 0.66666666666667 79.904 > 49 78 Br 0.50000000000000 0.24422158976476 0.66666666666667 79.904 > 49 79 Br 0.00000000000000 0.75577841023524 0.00000000000000 79.904 > 55 80 Br 0.50000000000000 0.75577841023524 0.00000000000000 79.904 > 55 81 Br 0.00000000000000 0.75577841023524 0.33333333333333 79.904 > 55 82 Br 0.50000000000000 0.75577841023524 0.33333333333333 79.904 > 55 83 Br 0.00000000000000 0.75577841023524 0.66666666666667 79.904 > 55 84 Br 0.50000000000000 0.75577841023524 0.66666666666667 79.904 > 55----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.4307001 0.0000000 0.0000000 0.0000000 3.4874991 0.0000000 0.0000000 0.0000000 3.5999620-------------------------- Born effective charges -------------------------- 1 Li 1.2326428 -0.2165507 0.0000000 -0.2211723 1.2251192 0.0000000 0.0000000 0.0000000 1.2357442 2 Li 1.2326428 0.2165507 0.0000000 0.2211723 1.2251192 0.0000000 0.0000000 0.0000000 1.2357442 3 Mg 1.7422650 0.0000000 0.0000000 0.0000000 2.0252144 0.0000000 0.0000000 0.0000000 2.3410379 4 Br -0.9249965 0.0000000 0.0000000 0.0000000 -1.1880369 0.0000000 0.0000000 0.0000000 -1.1725204 5 Br -0.9249965 0.0000000 0.0000000 0.0000000 -1.1880369 0.0000000 0.0000000 0.0000000 -1.1725204 6 Br -1.1787788 0.0000000 0.0000000 0.0000000 -1.0496895 0.0000000 0.0000000 0.0000000 -1.2337428 7 Br -1.1787788 0.0000000 0.0000000 0.0000000 -1.0496895 0.0000000 0.0000000 0.0000000 -1.2337428----------------------------------------------------------------------------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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 2026-01-08 07:47:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:47:15]-------------------------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): [2 1 3]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmmm (65)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.845987440000000 -5.436960970000000 0.000000000000000 b 3.845987440000000 5.436960970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.821663110000000Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 2 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 Br 0.75848805765811 0.75848805765811 0.50000000000000 79.904 5 Br 0.24151194234189 0.24151194234189 0.50000000000000 79.904 6 Br 0.75577841023524 0.24422158976476 0.00000000000000 79.904 7 Br 0.24422158976476 0.75577841023524 0.00000000000000 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 15.383949760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873921940000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.464989330000000Atomic positions (fractional): 1 Li 0.37500000000000 0.25000000000000 0.16666666666667 6.941 > 1 2 Li 0.87500000000000 0.25000000000000 0.16666666666667 6.941 > 1 3 Li 0.37500000000000 0.25000000000000 0.50000000000000 6.941 > 1 4 Li 0.87500000000000 0.25000000000000 0.50000000000000 6.941 > 1 5 Li 0.37500000000000 0.25000000000000 0.83333333333333 6.941 > 1 6 Li 0.87500000000000 0.25000000000000 0.83333333333333 6.941 > 1 7 Li 0.37500000000000 0.75000000000000 0.16666666666667 6.941 > 7 8 Li 0.87500000000000 0.75000000000000 0.16666666666667 6.941 > 7 9 Li 0.37500000000000 0.75000000000000 0.50000000000000 6.941 > 7 10 Li 0.87500000000000 0.75000000000000 0.50000000000000 6.941 > 7 11 Li 0.37500000000000 0.75000000000000 0.83333333333333 6.941 > 7 12 Li 0.87500000000000 0.75000000000000 0.83333333333333 6.941 > 7 13 Li 0.12500000000000 0.75000000000000 0.16666666666667 6.941 > 1 14 Li 0.62500000000000 0.75000000000000 0.16666666666667 6.941 > 1 15 Li 0.12500000000000 0.75000000000000 0.50000000000000 6.941 > 1 16 Li 0.62500000000000 0.75000000000000 0.50000000000000 6.941 > 1 17 Li 0.12500000000000 0.75000000000000 0.83333333333333 6.941 > 1 18 Li 0.62500000000000 0.75000000000000 0.83333333333333 6.941 > 1 19 Li 0.12500000000000 0.25000000000000 0.16666666666667 6.941 > 7 20 Li 0.62500000000000 0.25000000000000 0.16666666666667 6.941 > 7 21 Li 0.12500000000000 0.25000000000000 0.50000000000000 6.941 > 7 22 Li 0.62500000000000 0.25000000000000 0.50000000000000 6.941 > 7 23 Li 0.12500000000000 0.25000000000000 0.83333333333333 6.941 > 7 24 Li 0.62500000000000 0.25000000000000 0.83333333333333 6.941 > 7 25 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 25 26 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 25 27 Mg 0.00000000000000 0.00000000000000 0.33333333333333 24.305 > 25 28 Mg 0.50000000000000 0.00000000000000 0.33333333333333 24.305 > 25 29 Mg 0.00000000000000 0.00000000000000 0.66666666666667 24.305 > 25 30 Mg 0.50000000000000 0.00000000000000 0.66666666666667 24.305 > 25 31 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 25 32 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 25 33 Mg 0.25000000000000 0.50000000000000 0.33333333333333 24.305 > 25 34 Mg 0.75000000000000 0.50000000000000 0.33333333333333 24.305 > 25 35 Mg 0.25000000000000 0.50000000000000 0.66666666666667 24.305 > 25 36 Mg 0.75000000000000 0.50000000000000 0.66666666666667 24.305 > 25 37 Br 0.37924402882906 0.00000000000000 0.16666666666667 79.904 > 37 38 Br 0.87924402882906 0.00000000000000 0.16666666666667 79.904 > 37 39 Br 0.37924402882906 0.00000000000000 0.50000000000000 79.904 > 37 40 Br 0.87924402882906 0.00000000000000 0.50000000000000 79.904 > 37 41 Br 0.37924402882906 0.00000000000000 0.83333333333333 79.904 > 37 42 Br 0.87924402882906 0.00000000000000 0.83333333333333 79.904 > 37 43 Br 0.12075597117094 0.00000000000000 0.16666666666667 79.904 > 43 44 Br 0.62075597117094 0.00000000000000 0.16666666666667 79.904 > 43 45 Br 0.12075597117094 0.00000000000000 0.50000000000000 79.904 > 43 46 Br 0.62075597117094 0.00000000000000 0.50000000000000 79.904 > 43 47 Br 0.12075597117094 0.00000000000000 0.83333333333333 79.904 > 43 48 Br 0.62075597117094 0.00000000000000 0.83333333333333 79.904 > 43 49 Br 0.25000000000000 0.74422158976476 0.00000000000000 79.904 > 49 50 Br 0.75000000000000 0.74422158976476 0.00000000000000 79.904 > 49 51 Br 0.25000000000000 0.74422158976476 0.33333333333333 79.904 > 49 52 Br 0.75000000000000 0.74422158976476 0.33333333333333 79.904 > 49 53 Br 0.25000000000000 0.74422158976476 0.66666666666667 79.904 > 49 54 Br 0.75000000000000 0.74422158976476 0.66666666666667 79.904 > 49 55 Br 0.25000000000000 0.25577841023524 0.00000000000000 79.904 > 55 56 Br 0.75000000000000 0.25577841023524 0.00000000000000 79.904 > 55 57 Br 0.25000000000000 0.25577841023524 0.33333333333333 79.904 > 55 58 Br 0.75000000000000 0.25577841023524 0.33333333333333 79.904 > 55 59 Br 0.25000000000000 0.25577841023524 0.66666666666667 79.904 > 55 60 Br 0.75000000000000 0.25577841023524 0.66666666666667 79.904 > 55 61 Br 0.12924402882906 0.50000000000000 0.16666666666667 79.904 > 37 62 Br 0.62924402882906 0.50000000000000 0.16666666666667 79.904 > 37 63 Br 0.12924402882906 0.50000000000000 0.50000000000000 79.904 > 37 64 Br 0.62924402882906 0.50000000000000 0.50000000000000 79.904 > 37 65 Br 0.12924402882906 0.50000000000000 0.83333333333333 79.904 > 37 66 Br 0.62924402882906 0.50000000000000 0.83333333333333 79.904 > 37 67 Br 0.37075597117094 0.50000000000000 0.16666666666667 79.904 > 43 68 Br 0.87075597117094 0.50000000000000 0.16666666666667 79.904 > 43 69 Br 0.37075597117094 0.50000000000000 0.50000000000000 79.904 > 43 70 Br 0.87075597117094 0.50000000000000 0.50000000000000 79.904 > 43 71 Br 0.37075597117094 0.50000000000000 0.83333333333333 79.904 > 43 72 Br 0.87075597117094 0.50000000000000 0.83333333333333 79.904 > 43 73 Br 0.00000000000000 0.24422158976476 0.00000000000000 79.904 > 49 74 Br 0.50000000000000 0.24422158976476 0.00000000000000 79.904 > 49 75 Br 0.00000000000000 0.24422158976476 0.33333333333333 79.904 > 49 76 Br 0.50000000000000 0.24422158976476 0.33333333333333 79.904 > 49 77 Br 0.00000000000000 0.24422158976476 0.66666666666667 79.904 > 49 78 Br 0.50000000000000 0.24422158976476 0.66666666666667 79.904 > 49 79 Br 0.00000000000000 0.75577841023524 0.00000000000000 79.904 > 55 80 Br 0.50000000000000 0.75577841023524 0.00000000000000 79.904 > 55 81 Br 0.00000000000000 0.75577841023524 0.33333333333333 79.904 > 55 82 Br 0.50000000000000 0.75577841023524 0.33333333333333 79.904 > 55 83 Br 0.00000000000000 0.75577841023524 0.66666666666667 79.904 > 55 84 Br 0.50000000000000 0.75577841023524 0.66666666666667 79.904 > 55----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.4307001 0.0000000 0.0000000 0.0000000 3.4874991 0.0000000 0.0000000 0.0000000 3.5999620-------------------------- Born effective charges -------------------------- 1 Li 1.2326428 -0.2165507 0.0000000 -0.2211723 1.2251192 0.0000000 0.0000000 0.0000000 1.2357442 2 Li 1.2326428 0.2165507 0.0000000 0.2211723 1.2251192 0.0000000 0.0000000 0.0000000 1.2357442 3 Mg 1.7422650 0.0000000 0.0000000 0.0000000 2.0252144 0.0000000 0.0000000 0.0000000 2.3410379 4 Br -0.9249965 0.0000000 0.0000000 0.0000000 -1.1880369 0.0000000 0.0000000 0.0000000 -1.1725204 5 Br -0.9249965 0.0000000 0.0000000 0.0000000 -1.1880369 0.0000000 0.0000000 0.0000000 -1.1725204 6 Br -1.1787788 0.0000000 0.0000000 0.0000000 -1.0496895 0.0000000 0.0000000 0.0000000 -1.2337428 7 Br -1.1787788 0.0000000 0.0000000 0.0000000 -1.0496895 0.0000000 0.0000000 0.0000000 -1.2337428----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 8 8 13 ]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: 0.77, Number of G-points: 297, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/147) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 147Calculating 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 2.101 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.491 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.315 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 9.668 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/147) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.363 ( 13.069 -12.131 0.000) 17.832 0.403 ( 15.504 -11.273 0.000) 19.169 0.613 ( 23.959 -18.072 0.000) 30.010 2.061 ( -0.182 5.100 0.000) 5.104 2.182 ( -1.152 1.618 0.000) 1.987 2.335 ( 4.464 -6.952 0.000) 8.262 2.355 ( -0.204 -0.777 0.000) 0.803 2.624 ( 1.121 -0.064 0.000) 1.122 3.012 ( 1.853 3.240 0.000) 3.733 3.430 ( -0.715 -6.134 0.000) 6.176 3.775 ( -3.628 2.054 0.000) 4.169 4.239 ( -1.414 0.932 0.000) 1.693 5.457 ( 12.867 3.473 0.000) 13.328 5.475 ( 1.422 -0.428 0.000) 1.486 5.722 ( -9.463 -11.443 0.000) 14.849 5.912 ( -2.139 0.715 0.000) 2.255 6.306 ( 5.058 7.513 0.000) 9.057 6.313 ( -0.166 0.108 0.000) 0.198 8.820 ( -10.231 -12.929 0.000) 16.487 9.903 ( 3.199 21.445 0.000) 21.682 10.286 ( -8.014 -0.562 0.000) 8.033======================= Grid point 2 (3/147) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 238Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( 10.901 -10.275 0.000) 14.980 0.746 ( 11.741 -9.290 0.000) 14.972 1.174 ( 20.234 -15.949 0.000) 25.764 1.990 ( -0.960 5.419 0.000) 5.504 2.126 ( -2.274 2.973 0.000) 3.744 2.367 ( 0.051 -1.408 0.000) 1.409 2.520 ( 7.380 -7.604 0.000) 10.597 2.646 ( 1.461 0.011 0.000) 1.461 3.026 ( 4.092 2.284 0.000) 4.687 3.472 ( -3.003 -5.091 0.000) 5.911 3.655 ( -6.678 3.704 0.000) 7.637 4.196 ( -2.032 1.339 0.000) 2.433 5.517 ( 2.783 -0.846 0.000) 2.908 5.686 ( 5.135 4.978 0.000) 7.152 5.716 ( 6.532 -13.726 0.000) 15.201 5.851 ( -3.804 1.256 0.000) 4.006 6.305 ( 1.174 1.265 0.000) 1.726 6.308 ( -0.235 0.152 0.000) 0.280 8.798 ( 0.293 2.482 0.000) 2.499 9.607 ( -10.958 17.770 0.000) 20.877 10.148 ( -6.307 2.905 0.000) 6.944======================= Grid point 3 (4/147) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.935 ( 6.693 -6.430 0.000) 9.281 0.985 ( 6.541 -5.826 0.000) 8.760 1.603 ( 12.826 -10.000 0.000) 16.264 1.913 ( -1.814 3.504 0.000) 3.946 2.053 ( -2.172 2.695 0.000) 3.461 2.384 ( 0.143 -1.082 0.000) 1.092 2.667 ( 0.979 0.062 0.000) 0.981 2.728 ( 8.377 -5.154 0.000) 9.835 3.080 ( 3.242 0.184 0.000) 3.247 3.436 ( -4.253 0.513 0.000) 4.284 3.500 ( -6.842 2.121 0.000) 7.163 4.152 ( -1.476 0.977 0.000) 1.770 5.583 ( 3.939 -1.218 0.000) 4.123 5.657 ( -1.359 0.388 0.000) 1.414 5.765 ( -4.668 1.511 0.000) 4.906 6.040 ( 12.780 -5.409 0.000) 13.878 6.303 ( -0.166 0.107 0.000) 0.198 6.332 ( 0.226 -5.478 0.000) 5.482 8.777 ( 6.426 10.332 0.000) 12.167 9.205 ( -16.678 8.608 0.000) 18.768 10.034 ( -3.365 2.579 0.000) 4.240======================= Grid point 4 (5/147) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( 0.000 -0.000 0.000) 0.000 1.075 ( 0.000 -0.000 0.000) 0.000 1.775 ( 0.000 -0.000 0.000) 0.000 1.871 ( 0.000 -0.000 0.000) 0.000 2.015 ( 0.000 -0.000 0.000) 0.000 2.392 ( 0.000 -0.000 0.000) 0.000 2.674 ( 0.000 -0.000 0.000) 0.000 2.853 ( -0.000 -0.000 0.000) 0.000 3.095 ( 0.000 -0.000 0.000) 0.000 3.405 ( -0.000 -0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 -0.000 0.000) 0.000 5.643 ( 0.000 -0.000 0.000) 0.000 5.665 ( -0.000 -0.000 0.000) 0.000 5.675 ( 0.000 -0.000 0.000) 0.000 6.164 ( 0.000 -0.000 0.000) 0.000 6.301 ( 0.000 -0.000 0.000) 0.000 6.403 ( 0.000 -0.000 0.000) 0.000 8.771 ( 0.000 -0.000 0.000) 0.000 8.992 ( 0.000 -0.000 0.000) 0.000 9.990 ( 0.000 -0.000 0.000) 0.000======================= Grid point 10 (6/147) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.556 ( 15.972 -0.000 0.000) 15.972 0.641 ( 19.182 -0.000 0.000) 19.182 0.947 ( 24.545 -0.000 0.000) 24.545 2.077 ( -1.636 0.000 0.000) 1.636 2.165 ( -2.179 0.000 0.000) 2.179 2.345 ( -0.245 0.000 0.000) 0.245 2.408 ( 9.259 -0.000 0.000) 9.259 2.647 ( 1.613 -0.000 0.000) 1.613 3.075 ( 3.443 -0.000 0.000) 3.443 3.385 ( -0.521 0.000 0.000) 0.521 3.700 ( -6.962 0.000 0.000) 6.962 4.212 ( -2.450 0.000 0.000) 2.450 5.492 ( -0.003 0.000 0.000) 0.003 5.506 ( 2.730 -0.000 0.000) 2.730 5.778 ( 11.746 -0.000 0.000) 11.746 5.866 ( -3.868 0.000 0.000) 3.868 6.310 ( -0.281 0.000 0.000) 0.281 6.353 ( -1.703 0.000 0.000) 1.703 8.796 ( 7.060 -0.000 0.000) 7.060 9.998 ( -7.800 0.000 0.000) 7.800 10.015 ( -17.431 0.000 0.000) 17.431======================= Grid point 11 (7/147) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( 13.094 -3.021 0.000) 13.438 0.935 ( 16.359 0.881 0.000) 16.382 1.343 ( 16.680 -8.978 0.000) 18.942 2.017 ( -2.766 3.567 0.000) 4.513 2.110 ( -3.209 1.744 0.000) 3.652 2.352 ( 0.155 -1.209 0.000) 1.219 2.606 ( 11.273 -3.869 0.000) 11.918 2.670 ( 1.235 0.156 0.000) 1.244 3.129 ( 4.912 2.374 0.000) 5.456 3.390 ( -1.578 -2.543 0.000) 2.992 3.556 ( -9.136 1.546 0.000) 9.266 4.167 ( -2.538 0.339 0.000) 2.560 5.533 ( -1.564 -6.912 0.000) 7.086 5.563 ( 3.806 -0.503 0.000) 3.839 5.791 ( -4.824 0.625 0.000) 4.864 5.992 ( 16.155 0.987 0.000) 16.185 6.305 ( -0.276 0.043 0.000) 0.280 6.307 ( -2.712 0.820 0.000) 2.833 8.913 ( 8.283 2.352 0.000) 8.611 9.537 ( -21.800 16.590 0.000) 27.394 9.936 ( -12.776 -10.180 0.000) 16.335======================= Grid point 12 (8/147) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( 8.371 -0.701 0.000) 8.400 1.133 ( 11.539 4.689 0.000) 12.455 1.642 ( 5.443 -8.447 0.000) 10.048 1.931 ( -1.811 2.761 0.000) 3.302 2.036 ( -2.985 1.459 0.000) 3.323 2.372 ( 0.353 -1.392 0.000) 1.436 2.680 ( 0.279 0.372 0.000) 0.465 2.816 ( 7.809 -2.241 0.000) 8.124 3.162 ( 3.477 4.457 0.000) 5.653 3.375 ( -4.748 -1.675 0.000) 5.035 3.417 ( -2.802 0.053 0.000) 2.803 4.131 ( -1.525 -0.136 0.000) 1.531 5.569 ( -3.077 -5.765 0.000) 6.534 5.639 ( 4.426 -1.023 0.000) 4.543 5.701 ( -4.841 1.025 0.000) 4.948 6.187 ( 1.169 2.163 0.000) 2.459 6.301 ( -0.155 -0.004 0.000) 0.155 6.339 ( 11.485 -3.937 0.000) 12.141 8.952 ( -16.281 13.312 0.000) 21.030 9.036 ( 1.306 3.533 0.000) 3.767 9.852 ( -11.929 -11.277 0.000) 16.415======================= Grid point 13 (9/147) =======================q-point: (-0.50 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 1.791 5.522 0.000) 5.805 1.182 ( 4.415 10.440 0.000) 11.335 1.673 ( -6.692 -2.182 0.000) 7.039 1.919 ( 0.537 1.163 0.000) 1.281 2.003 ( -0.619 -1.468 0.000) 1.593 2.389 ( 0.242 -0.569 0.000) 0.619 2.671 ( -0.743 0.436 0.000) 0.861 2.822 ( -4.146 4.379 0.000) 6.031 3.158 ( 0.548 5.886 0.000) 5.912 3.347 ( 1.708 -5.345 0.000) 5.611 3.472 ( 5.204 -1.852 0.000) 5.524 4.126 ( 0.019 -1.147 0.000) 1.147 5.571 ( -4.462 -5.366 0.000) 6.979 5.613 ( -4.125 1.227 0.000) 4.304 5.728 ( 4.442 -1.519 0.000) 4.694 6.107 ( -6.344 1.166 0.000) 6.450 6.300 ( 0.011 -0.112 0.000) 0.113 6.533 ( 9.037 7.436 0.000) 11.703 8.561 ( -14.975 -3.588 0.000) 15.399 9.145 ( 9.403 1.040 0.000) 9.461 9.828 ( -8.668 -14.410 0.000) 16.817======================= Grid point 14 (10/147) =======================q-point: (-0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( -3.576 11.947 0.000) 12.471 1.030 ( -4.927 14.406 0.000) 15.225 1.505 ( -9.839 9.591 0.000) 13.740 1.900 ( -1.380 -1.498 0.000) 2.037 2.045 ( 1.431 -3.870 0.000) 4.126 2.391 ( 0.003 0.554 0.000) 0.554 2.649 ( -1.267 0.320 0.000) 1.307 2.684 ( -4.062 6.437 0.000) 7.611 3.047 ( -4.187 4.641 0.000) 6.251 3.503 ( 6.859 -4.791 0.000) 8.367 3.580 ( 5.390 -0.809 0.000) 5.450 4.155 ( 1.111 -2.056 0.000) 2.337 5.531 ( -10.071 -6.527 0.000) 12.001 5.541 ( -2.910 1.202 0.000) 3.148 5.814 ( 3.647 -1.784 0.000) 4.060 5.974 ( -4.665 4.535 0.000) 6.505 6.303 ( 0.125 -0.219 0.000) 0.252 6.452 ( 0.971 15.568 0.000) 15.598 8.584 ( 1.576 -15.385 0.000) 15.466 9.304 ( 5.071 -7.586 0.000) 9.125 9.909 ( -3.372 -16.396 0.000) 16.739======================= Grid point 15 (11/147) =======================q-point: (-0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( -4.856 16.532 0.000) 17.230 0.723 ( -10.415 15.460 0.000) 18.641 1.151 ( -8.398 23.767 0.000) 25.207 1.925 ( -1.238 -5.994 0.000) 6.121 2.116 ( 1.292 -3.925 0.000) 4.133 2.380 ( -0.089 1.142 0.000) 1.145 2.541 ( -2.273 9.704 0.000) 9.967 2.627 ( -0.977 0.232 0.000) 1.004 2.961 ( -2.223 0.410 0.000) 2.260 3.591 ( 3.504 5.502 0.000) 6.523 3.686 ( 3.379 -5.235 0.000) 6.231 4.201 ( 1.101 -2.304 0.000) 2.554 5.378 ( -14.014 -3.852 0.000) 14.533 5.493 ( -1.472 1.037 0.000) 1.801 5.882 ( 2.074 -1.734 0.000) 2.703 5.920 ( 4.854 4.114 0.000) 6.363 6.296 ( -2.292 9.221 0.000) 9.501 6.308 ( 0.120 -0.263 0.000) 0.289 8.872 ( 15.427 -8.764 0.000) 17.742 9.446 ( -7.167 -17.471 0.000) 18.884 10.080 ( 0.862 -15.623 0.000) 15.647======================= Grid point 16 (12/147) =======================q-point: (-0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.412 ( 0.000 17.776 0.000) 17.776 0.458 ( 0.000 19.451 0.000) 19.451 0.748 ( 0.000 30.953 0.000) 30.953 1.988 ( -0.000 -6.556 0.000) 6.556 2.167 ( -0.000 -2.813 0.000) 2.813 2.366 ( 0.000 1.003 0.000) 1.003 2.402 ( 0.000 10.088 0.000) 10.088 2.616 ( 0.000 0.202 0.000) 0.202 2.961 ( -0.000 -2.683 0.000) 2.683 3.529 ( 0.000 8.665 0.000) 8.665 3.770 ( -0.000 -4.002 0.000) 4.002 4.235 ( -0.000 -1.827 0.000) 1.827 5.268 ( -0.000 -1.275 0.000) 1.275 5.470 ( 0.000 0.774 0.000) 0.774 5.917 ( -0.000 -1.348 0.000) 1.348 6.000 ( -0.000 -2.312 0.000) 2.312 6.149 ( 0.000 7.925 0.000) 7.925 6.312 ( -0.000 -0.217 0.000) 0.217 9.217 ( -0.000 -3.929 0.000) 3.929 9.466 ( -0.000 -16.925 0.000) 16.925 10.258 ( -0.000 -12.349 0.000) 12.349======================= Grid point 19 (13/147) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.011 ( 11.767 -0.000 0.000) 11.767 1.225 ( 16.337 -0.000 0.000) 16.337 1.501 ( 9.359 -0.000 0.000) 9.359 1.966 ( -5.940 0.000 0.000) 5.940 2.058 ( -4.292 0.000 0.000) 4.292 2.351 ( 0.698 -0.000 0.000) 0.698 2.685 ( 0.383 -0.000 0.000) 0.383 2.786 ( 12.723 -0.000 0.000) 12.723 3.231 ( 5.431 -0.000 0.000) 5.431 3.346 ( -4.118 0.000 0.000) 4.118 3.413 ( -7.094 0.000 0.000) 7.094 4.129 ( -2.117 0.000 0.000) 2.117 5.477 ( -1.421 0.000 0.000) 1.421 5.627 ( 4.371 -0.000 0.000) 4.371 5.713 ( -4.958 0.000 0.000) 4.958 6.240 ( -5.534 0.000 0.000) 5.534 6.272 ( 18.324 -0.000 0.000) 18.324 6.301 ( -0.220 0.000 0.000) 0.220 9.071 ( 8.725 -0.000 0.000) 8.725 9.231 ( -29.094 0.000 0.000) 29.094 9.616 ( -15.528 0.000 0.000) 15.528======================= Grid point 20 (14/147) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 8.202 2.039 0.000) 8.452 1.414 ( 12.017 7.964 0.000) 14.416 1.615 ( -0.591 -2.142 0.000) 2.222 1.871 ( -5.053 -3.745 0.000) 6.289 1.985 ( -4.071 -0.218 0.000) 4.077 2.371 ( 1.037 -0.672 0.000) 1.236 2.681 ( -0.676 0.296 0.000) 0.738 2.950 ( 6.761 5.185 0.000) 8.520 3.231 ( -5.786 -3.890 0.000) 6.972 3.286 ( 2.936 4.129 0.000) 5.066 3.408 ( 2.592 -3.032 0.000) 3.989 4.106 ( -0.944 -0.482 0.000) 1.059 5.456 ( -4.340 -3.468 0.000) 5.556 5.634 ( -4.271 0.517 0.000) 4.302 5.702 ( 4.293 -0.637 0.000) 4.340 6.131 ( -6.885 0.760 0.000) 6.927 6.298 ( -0.098 -0.048 0.000) 0.109 6.600 ( 20.784 -0.004 0.000) 20.784 8.677 ( -27.430 10.029 0.000) 29.206 9.175 ( 3.239 0.363 0.000) 3.259 9.455 ( -13.811 -14.168 0.000) 19.786======================= Grid point 21 (15/147) =======================q-point: (-0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 238Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 2.750 8.425 0.000) 8.863 1.368 ( -3.994 14.131 0.000) 14.684 1.578 ( 0.196 -0.737 0.000) 0.763 1.881 ( -2.680 -2.710 0.000) 3.812 1.957 ( -1.499 -3.448 0.000) 3.760 2.393 ( 0.906 -0.233 0.000) 0.935 2.659 ( -1.333 0.444 0.000) 1.405 2.865 ( -1.424 9.752 0.000) 9.855 3.178 ( -4.088 3.891 0.000) 5.643 3.370 ( 7.062 -4.172 0.000) 8.202 3.527 ( 5.721 -4.332 0.000) 7.176 4.112 ( 0.166 -1.520 0.000) 1.529 5.397 ( -9.090 -4.825 0.000) 10.291 5.566 ( -3.039 0.856 0.000) 3.157 5.777 ( 3.487 -1.268 0.000) 3.711 6.013 ( -5.927 0.688 0.000) 5.966 6.299 ( 0.016 -0.158 0.000) 0.159 6.843 ( 13.947 13.784 0.000) 19.609 8.286 ( -11.492 -5.713 0.000) 12.833 9.153 ( -10.824 -9.821 0.000) 14.615 9.508 ( -1.008 -13.732 0.000) 13.769======================= Grid point 22 (16/147) =======================q-point: (-0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( -9.194 14.324 0.000) 17.021 1.079 ( -0.805 14.242 0.000) 14.265 1.579 ( 3.348 10.669 0.000) 11.182 1.814 ( -5.816 -1.832 0.000) 6.097 2.006 ( 0.400 -5.519 0.000) 5.534 2.401 ( 0.380 0.688 0.000) 0.786 2.634 ( -1.037 0.344 0.000) 1.093 2.755 ( 0.670 8.816 0.000) 8.842 3.049 ( -3.134 6.470 0.000) 7.189 3.529 ( 4.285 -6.376 0.000) 7.682 3.655 ( 4.661 -1.499 0.000) 4.896 4.142 ( 0.570 -2.516 0.000) 2.580 5.279 ( -10.772 -4.485 0.000) 11.668 5.518 ( -1.543 1.043 0.000) 1.862 5.840 ( 1.980 -1.744 0.000) 2.638 5.943 ( -2.036 -0.158 0.000) 2.042 6.302 ( 0.056 -0.266 0.000) 0.272 6.713 ( 1.936 24.590 0.000) 24.667 8.479 ( 11.175 -21.412 0.000) 24.153 9.093 ( -15.117 -16.588 0.000) 22.443 9.687 ( 1.683 -15.136 0.000) 15.229======================= Grid point 23 (17/147) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.808 ( 0.000 16.320 0.000) 16.320 0.883 ( 0.000 17.233 0.000) 17.233 1.386 ( 0.000 23.688 0.000) 23.688 1.829 ( -0.000 -7.246 0.000) 7.246 2.075 ( -0.000 -5.130 0.000) 5.130 2.392 ( 0.000 1.146 0.000) 1.146 2.622 ( 0.000 0.280 0.000) 0.280 2.651 ( 0.000 10.717 0.000) 10.717 2.964 ( 0.000 3.412 0.000) 3.412 3.642 ( -0.000 -6.670 0.000) 6.670 3.683 ( 0.000 3.378 0.000) 3.378 4.180 ( -0.000 -2.802 0.000) 2.802 5.218 ( -0.000 -3.094 0.000) 3.094 5.493 ( 0.000 1.100 0.000) 1.100 5.878 ( -0.000 -1.917 0.000) 1.917 5.945 ( -0.000 -1.980 0.000) 1.980 6.306 ( -0.000 -0.310 0.000) 0.310 6.462 ( 0.000 19.850 0.000) 19.850 8.954 ( -0.000 -25.522 0.000) 25.522 9.053 ( -0.000 -11.691 0.000) 11.691 9.891 ( -0.000 -17.424 0.000) 17.424======================= Grid point 28 (18/147) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 6.302 -0.000 0.000) 6.302 1.543 ( -6.676 0.000 0.000) 6.676 1.619 ( -0.381 0.000 0.000) 0.381 1.781 ( 4.563 -0.000 0.000) 4.563 1.911 ( -4.127 0.000 0.000) 4.127 2.389 ( 1.510 -0.000 0.000) 1.510 2.665 ( -1.418 0.000 0.000) 1.418 3.053 ( -8.364 0.000 0.000) 8.364 3.142 ( 7.865 -0.000 0.000) 7.865 3.380 ( 3.585 -0.000 0.000) 3.585 3.432 ( 4.409 -0.000 0.000) 4.409 4.093 ( -0.261 0.000 0.000) 0.261 5.335 ( -8.368 0.000 0.000) 8.368 5.577 ( -3.095 0.000 0.000) 3.095 5.762 ( 3.422 -0.000 0.000) 3.422 6.023 ( -6.212 0.000 0.000) 6.212 6.297 ( -0.029 0.000 0.000) 0.029 6.991 ( 26.180 -0.000 0.000) 26.180 8.313 ( -23.512 0.000 0.000) 23.512 8.914 ( -23.525 0.000 0.000) 23.525 9.383 ( 5.711 -0.000 0.000) 5.711======================= Grid point 29 (19/147) =======================q-point: (-0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 224Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( -10.132 6.763 0.000) 12.181 1.341 ( 2.413 7.268 0.000) 7.658 1.614 ( 0.362 -1.833 0.000) 1.869 1.876 ( 3.531 2.723 0.000) 4.459 1.883 ( -1.753 -4.179 0.000) 4.532 2.411 ( 1.106 0.203 0.000) 1.125 2.641 ( -1.254 0.173 0.000) 1.266 2.919 ( -3.394 4.109 0.000) 5.329 3.199 ( 1.185 5.298 0.000) 5.429 3.433 ( 3.618 -1.166 0.000) 3.801 3.556 ( 5.014 -5.492 0.000) 7.437 4.098 ( 0.072 -1.099 0.000) 1.101 5.195 ( -9.387 -2.269 0.000) 9.658 5.536 ( -1.595 0.434 0.000) 1.653 5.810 ( 1.913 -0.725 0.000) 2.046 5.945 ( -2.978 0.248 0.000) 2.988 6.297 ( 0.011 -0.112 0.000) 0.112 7.299 ( 16.926 21.404 0.000) 27.288 8.077 ( -2.408 -10.624 0.000) 10.894 8.624 ( -25.067 -19.208 0.000) 31.580 9.482 ( 3.676 -3.490 0.000) 5.069======================= Grid point 30 (20/147) =======================q-point: (-0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( 0.000 11.399 0.000) 11.399 1.235 ( 0.000 12.860 0.000) 12.860 1.670 ( -0.000 -5.958 0.000) 5.958 1.804 ( 0.000 12.246 0.000) 12.246 1.937 ( -0.000 -6.453 0.000) 6.453 2.415 ( 0.000 0.731 0.000) 0.731 2.627 ( 0.000 0.194 0.000) 0.194 2.847 ( 0.000 5.425 0.000) 5.425 3.112 ( 0.000 8.669 0.000) 8.669 3.501 ( -0.000 -4.551 0.000) 4.551 3.664 ( -0.000 -4.467 0.000) 4.467 4.119 ( -0.000 -2.191 0.000) 2.191 5.138 ( -0.000 -3.319 0.000) 3.319 5.516 ( 0.000 0.781 0.000) 0.781 5.838 ( -0.000 -1.363 0.000) 1.363 5.921 ( -0.000 -0.186 0.000) 0.186 6.299 ( -0.000 -0.222 0.000) 0.222 7.058 ( 0.000 31.254 0.000) 31.254 8.406 ( -0.000 -19.511 0.000) 19.511 8.602 ( -0.000 -27.831 0.000) 27.831 9.579 ( -0.000 -8.244 0.000) 8.244======================= Grid point 38 (21/147) =======================q-point: (-0.50 0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( -0.000 -0.000 0.000) 0.000 1.411 ( -0.000 -0.000 0.000) 0.000 1.592 ( -0.000 -0.000 0.000) 0.000 1.836 ( -0.000 -0.000 0.000) 0.000 1.944 ( -0.000 -0.000 0.000) 0.000 2.424 ( -0.000 -0.000 0.000) 0.000 2.630 ( -0.000 -0.000 0.000) 0.000 2.900 ( -0.000 -0.000 0.000) 0.000 3.261 ( -0.000 -0.000 0.000) 0.000 3.453 ( -0.000 -0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 4.092 ( -0.000 -0.000 0.000) 0.000 5.095 ( -0.000 -0.000 0.000) 0.000 5.525 ( -0.000 -0.000 0.000) 0.000 5.821 ( -0.000 -0.000 0.000) 0.000 5.923 ( -0.000 -0.000 0.000) 0.000 6.297 ( -0.000 -0.000 0.000) 0.000 7.784 ( 0.000 0.000 0.000) 0.000 7.908 ( -0.000 -0.000 0.000) 0.000 8.165 ( -0.000 -0.000 0.000) 0.000 9.493 ( -0.000 -0.000 0.000) 0.000======================= Grid point 67 (22/147) =======================q-point: ( 0.00 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.316 ( 0.000 0.000 16.532) 16.532 0.423 ( 0.000 0.000 20.949) 20.949 0.749 ( 0.000 0.000 36.454) 36.454 2.129 ( 0.000 0.000 2.775) 2.775 2.254 ( 0.000 0.000 1.506) 1.506 2.266 ( 0.000 0.000 6.232) 6.232 2.482 ( 0.000 0.000 12.020) 12.020 2.709 ( 0.000 0.000 8.447) 8.447 3.009 ( 0.000 0.000 -1.036) 1.036 3.385 ( 0.000 0.000 -0.660) 0.660 3.790 ( 0.000 0.000 -2.631) 2.631 4.235 ( 0.000 0.000 -2.127) 2.127 5.292 ( 0.000 0.000 1.026) 1.026 5.490 ( 0.000 0.000 -0.064) 0.064 5.940 ( 0.000 0.000 0.598) 0.598 6.043 ( 0.000 0.000 1.238) 1.238 6.188 ( 0.000 0.000 13.344) 13.344 6.380 ( 0.000 0.000 0.273) 0.273 9.475 ( 0.000 0.000 -0.340) 0.340 9.518 ( 0.000 0.000 -14.670) 14.670 10.111 ( 0.000 0.000 -18.908) 18.908======================= Grid point 68 (23/147) =======================q-point: ( 0.12 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.525 ( 13.931 -7.220 10.052) 18.635 0.578 ( 9.729 -8.669 14.759) 19.688 0.923 ( 11.296 -11.246 27.447) 31.740 2.081 ( -0.049 5.692 2.256) 6.123 2.252 ( -1.054 0.966 6.392) 6.550 2.349 ( 4.228 -7.127 1.932) 8.509 2.477 ( -0.116 0.180 11.369) 11.371 2.720 ( 1.032 0.109 8.269) 8.334 3.006 ( 1.868 2.438 -0.466) 3.107 3.416 ( -0.626 -5.156 -1.284) 5.350 3.751 ( -3.386 2.027 -2.409) 4.624 4.217 ( -1.387 0.872 -2.056) 2.629 5.394 ( 10.256 0.865 -0.802) 10.324 5.529 ( -0.081 -6.070 -0.570) 6.097 5.915 ( -4.698 2.887 9.226) 10.748 5.922 ( -3.110 1.330 4.560) 5.678 6.236 ( 7.327 8.033 0.779) 10.901 6.413 ( 0.259 -4.292 5.159) 6.716 9.061 ( -17.771 0.811 11.560) 21.216 9.660 ( 4.041 13.394 -19.749) 24.202 10.069 ( -6.328 -1.144 -19.147) 20.198======================= Grid point 69 (24/147) =======================q-point: ( 0.25 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( 10.702 -7.960 7.233) 15.173 0.862 ( 11.047 -9.542 12.215) 19.034 1.280 ( 13.333 -12.100 12.417) 21.871 2.010 ( -0.590 5.844 2.166) 6.261 2.214 ( -1.602 1.382 7.808) 8.090 2.456 ( 0.103 -1.344 7.756) 7.872 2.547 ( 7.208 -5.925 3.545) 9.982 2.735 ( 0.975 0.206 7.691) 7.755 3.028 ( 3.832 1.571 0.375) 4.159 3.453 ( -2.470 -4.563 -1.779) 5.485 3.637 ( -6.274 3.743 -1.808) 7.526 4.176 ( -1.968 1.268 -1.907) 3.020 5.528 ( 5.395 0.483 0.445) 5.435 5.655 ( 4.448 -10.386 -4.626) 12.209 5.819 ( 0.935 5.937 11.260) 12.763 5.866 ( -3.230 1.164 1.411) 3.712 6.238 ( 2.701 5.293 -1.396) 6.104 6.485 ( 1.562 -6.422 11.472) 13.239 8.871 ( -3.927 5.007 5.217) 8.229 9.431 ( -9.454 15.322 -16.551) 24.456 9.958 ( -6.092 1.426 -17.605) 18.684======================= Grid point 70 (25/147) =======================q-point: ( 0.38 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( 6.433 -5.131 5.636) 9.974 1.117 ( 7.276 -7.343 14.730) 17.995 1.561 ( 6.981 -5.826 -0.821) 9.130 1.933 ( -1.256 4.278 2.228) 4.984 2.187 ( -0.254 -0.164 10.796) 10.800 2.467 ( 0.106 -0.798 7.813) 7.855 2.739 ( 4.642 -2.334 2.641) 5.828 2.753 ( 4.652 -2.034 6.233) 8.039 3.079 ( 2.475 0.089 0.010) 2.477 3.432 ( -3.316 -0.225 -0.429) 3.351 3.484 ( -6.489 2.689 -1.432) 7.168 4.133 ( -1.430 0.922 -1.761) 2.448 5.587 ( 2.539 -0.495 0.167) 2.593 5.732 ( -2.202 -1.485 5.715) 6.302 5.796 ( -3.135 1.497 3.009) 4.596 5.916 ( 9.713 -2.687 -7.960) 12.843 6.205 ( -0.475 3.492 -1.601) 3.870 6.620 ( 3.580 -8.756 16.607) 19.112 8.767 ( 2.635 12.632 -1.956) 13.051 9.093 ( -13.651 5.651 -10.352) 18.040 9.859 ( -3.358 1.752 -16.466) 16.896======================= Grid point 71 (26/147) =======================q-point: (-0.50 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 0.000 0.000 5.219) 5.219 1.227 ( -0.000 -0.000 17.387) 17.387 1.641 ( 0.000 -0.000 -7.751) 7.751 1.894 ( 0.000 -0.000 2.292) 2.292 2.195 ( 0.000 -0.000 12.339) 12.339 2.474 ( 0.000 -0.000 7.686) 7.686 2.751 ( 0.000 -0.000 6.288) 6.288 2.871 ( -0.000 -0.000 2.414) 2.414 3.084 ( 0.000 -0.000 -0.993) 0.993 3.399 ( -0.000 -0.000 -0.561) 0.561 3.405 ( 0.000 0.000 0.095) 0.095 4.115 ( 0.000 -0.000 -1.700) 1.700 5.615 ( 0.000 -0.000 -0.766) 0.766 5.726 ( -0.000 -0.000 4.495) 4.495 5.749 ( 0.000 -0.000 5.855) 5.855 6.032 ( -0.000 -0.000 -13.099) 13.099 6.165 ( 0.000 -0.000 -0.011) 0.011 6.723 ( 0.000 -0.000 17.985) 17.985 8.690 ( 0.000 -0.000 -8.128) 8.128 8.950 ( 0.000 -0.000 -4.107) 4.107 9.820 ( 0.000 -0.000 -16.069) 16.069======================= Grid point 77 (27/147) =======================q-point: ( 0.12 0.12 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( 13.706 -0.000 10.299) 17.144 0.743 ( 15.011 -0.000 9.547) 17.790 1.117 ( 17.638 -0.000 18.401) 25.489 2.095 ( -2.152 0.000 2.033) 2.961 2.236 ( -1.917 0.000 6.428) 6.708 2.406 ( 5.653 -0.000 2.944) 6.374 2.491 ( 3.711 -0.000 10.717) 11.341 2.738 ( 1.085 -0.000 7.925) 7.999 3.062 ( 3.320 -0.000 -1.010) 3.470 3.377 ( -0.622 0.000 -0.799) 1.012 3.681 ( -6.483 0.000 -1.816) 6.733 4.191 ( -2.352 0.000 -1.984) 3.077 5.488 ( -0.236 0.000 -0.420) 0.481 5.552 ( 7.932 -0.000 1.622) 8.096 5.880 ( -3.321 0.000 1.229) 3.541 5.906 ( 1.533 -0.000 10.966) 11.073 6.356 ( -1.739 0.000 0.232) 1.754 6.384 ( 3.557 -0.000 7.449) 8.255 8.908 ( -2.126 0.000 8.127) 8.401 9.741 ( -5.029 0.000 -22.767) 23.316 9.856 ( -15.349 0.000 -15.573) 21.865======================= Grid point 78 (28/147) =======================q-point: ( 0.25 0.12 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 11.367 -2.341 8.221) 14.222 1.008 ( 14.610 -2.443 7.652) 16.673 1.411 ( 13.159 -4.814 8.957) 16.630 2.031 ( -3.240 2.991 1.765) 4.750 2.193 ( -2.524 0.473 7.247) 7.688 2.442 ( -0.181 -1.102 7.649) 7.730 2.651 ( 11.160 -2.521 4.864) 12.433 2.755 ( 1.220 0.309 7.641) 7.744 3.116 ( 4.447 1.809 -1.039) 4.912 3.377 ( -1.788 -2.492 -1.269) 3.319 3.547 ( -8.372 1.619 -0.780) 8.563 4.148 ( -2.427 0.324 -1.824) 3.054 5.510 ( -0.922 -4.621 -1.303) 4.889 5.654 ( 3.423 -1.629 5.516) 6.693 5.818 ( -3.702 0.519 2.506) 4.501 5.961 ( 6.998 2.721 -0.084) 7.508 6.293 ( -2.420 3.361 0.017) 4.141 6.472 ( 4.852 -3.803 12.475) 13.915 8.924 ( 4.395 2.336 0.751) 5.034 9.392 ( -18.013 16.783 -14.500) 28.572 9.743 ( -12.284 -11.170 -17.616) 24.207======================= Grid point 79 (29/147) =======================q-point: ( 0.38 0.12 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 7.016 -0.271 5.931) 9.191 1.243 ( 11.728 0.328 11.505) 16.433 1.598 ( 3.361 -2.659 -1.144) 4.436 1.936 ( -3.695 2.711 1.487) 4.818 2.167 ( -1.187 -1.798 9.997) 10.227 2.455 ( -0.031 -1.461 7.406) 7.549 2.753 ( 0.184 0.142 5.852) 5.857 2.857 ( 8.214 -0.637 4.876) 9.574 3.146 ( 3.102 4.119 -1.416) 5.347 3.355 ( -5.184 -2.246 -1.841) 5.942 3.423 ( -2.351 0.246 0.716) 2.470 4.114 ( -1.435 -0.124 -1.674) 2.209 5.544 ( -2.599 -5.421 -1.721) 6.254 5.708 ( 1.969 -1.092 5.374) 5.827 5.755 ( -3.066 0.523 4.805) 5.723 6.047 ( 5.236 1.406 -9.636) 11.056 6.204 ( -4.015 2.600 -0.178) 4.787 6.647 ( 9.697 -4.784 16.577) 19.791 8.874 ( -18.368 14.088 -8.136) 24.537 8.992 ( 4.749 2.927 -4.118) 6.933 9.679 ( -11.072 -11.611 -16.116) 22.740======================= Grid point 80 (30/147) =======================q-point: (-0.50 0.12 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 1.166 4.933 5.360) 7.377 1.323 ( 2.858 9.361 14.591) 17.570 1.608 ( -2.467 -1.266 -4.537) 5.317 1.877 ( -1.693 -0.678 0.100) 1.826 2.178 ( -0.984 -1.822 11.694) 11.876 2.468 ( -0.107 -0.845 7.200) 7.250 2.744 ( -0.892 0.118 5.741) 5.811 2.853 ( -3.856 5.641 3.825) 7.831 3.146 ( 0.950 5.233 -0.959) 5.405 3.340 ( 1.644 -5.656 -0.673) 5.929 3.462 ( 4.056 -1.501 -0.807) 4.400 4.109 ( 0.059 -1.076 -1.612) 1.939 5.538 ( -5.165 -4.533 -1.491) 7.032 5.712 ( -1.910 -0.604 7.415) 7.681 5.762 ( 2.976 -1.222 3.095) 4.464 6.034 ( -3.693 4.662 -9.993) 11.629 6.149 ( -0.669 -1.243 -2.618) 2.975 6.806 ( 6.537 5.062 17.322) 19.194 8.525 ( -12.022 -3.418 -4.287) 13.213 9.078 ( 8.258 2.023 -6.200) 10.523 9.669 ( -7.889 -14.037 -14.875) 21.921======================= Grid point 81 (31/147) =======================q-point: (-0.38 0.12 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( -4.126 10.527 5.650) 12.639 1.137 ( -7.294 13.251 10.110) 18.194 1.541 ( -3.337 7.847 5.563) 10.181 1.885 ( -1.218 -4.232 0.163) 4.407 2.179 ( -0.338 -1.620 10.906) 11.030 2.469 ( -0.285 -0.024 7.253) 7.258 2.694 ( -3.992 5.259 1.256) 6.721 2.739 ( -1.034 1.747 7.784) 8.045 3.051 ( -3.913 4.051 0.701) 5.676 3.488 ( 6.037 -4.276 -1.550) 7.559 3.550 ( 4.530 -1.335 -2.598) 5.390 4.137 ( 1.090 -1.933 -1.694) 2.792 5.478 ( -8.536 -3.930 -1.456) 9.509 5.698 ( -2.961 -2.686 10.260) 11.011 5.829 ( 3.059 -1.412 1.296) 3.610 5.899 ( -1.711 7.386 -7.041) 10.347 6.151 ( -2.384 -2.163 -4.845) 5.817 6.722 ( -0.268 14.271 17.032) 22.222 8.592 ( 2.715 -17.467 -1.284) 17.723 9.208 ( 5.942 -3.991 -8.406) 11.041 9.751 ( -3.075 -15.529 -14.725) 21.620======================= Grid point 82 (32/147) =======================q-point: (-0.25 0.12 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.783 ( -9.602 13.565 5.998) 17.669 0.864 ( -5.166 14.469 11.149) 18.983 1.311 ( -4.559 18.783 15.866) 25.007 1.930 ( -1.237 -6.799 1.038) 6.988 2.213 ( 0.883 -2.501 8.539) 8.941 2.466 ( 0.088 -0.054 8.316) 8.317 2.556 ( -2.311 9.089 1.533) 9.502 2.720 ( -0.718 0.226 8.254) 8.288 2.967 ( -2.504 0.528 0.967) 2.736 3.552 ( 2.653 4.660 -3.530) 6.420 3.662 ( 3.251 -5.323 -2.300) 6.648 4.181 ( 1.065 -2.189 -1.872) 3.071 5.354 ( -10.141 -2.730 -0.556) 10.517 5.653 ( -2.553 1.448 8.948) 9.417 5.875 ( 5.851 2.203 -1.437) 6.415 5.894 ( 2.317 -1.120 0.578) 2.637 6.110 ( -6.252 -2.592 -4.450) 8.101 6.562 ( -0.635 10.407 13.737) 17.246 8.915 ( 12.693 -14.584 -0.239) 19.336 9.334 ( -2.738 -11.326 -8.843) 14.628 9.911 ( 0.740 -14.304 -15.898) 21.399======================= Grid point 83 (33/147) =======================q-point: (-0.12 0.12 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( 0.000 13.951 9.790) 17.043 0.645 ( 0.000 14.854 13.865) 20.319 1.030 ( 0.000 20.410 24.806) 32.123 2.000 ( -0.000 -7.148 1.564) 7.317 2.246 ( -0.000 -1.753 7.115) 7.328 2.421 ( 0.000 10.030 1.930) 10.214 2.474 ( -0.000 -0.552 10.374) 10.388 2.710 ( 0.000 0.133 8.419) 8.420 2.959 ( -0.000 -2.241 0.226) 2.252 3.499 ( 0.000 7.171 -2.706) 7.665 3.744 ( -0.000 -3.932 -2.558) 4.691 4.214 ( -0.000 -1.749 -2.030) 2.680 5.279 ( -0.000 -1.274 1.033) 1.640 5.599 ( 0.000 5.077 4.103) 6.528 5.925 ( -0.000 -1.306 0.649) 1.458 6.009 ( -0.000 -4.506 1.372) 4.710 6.014 ( -0.000 -2.292 1.282) 2.626 6.466 ( 0.000 5.915 9.102) 10.855 9.318 ( -0.000 -6.763 4.832) 8.312 9.319 ( -0.000 -16.655 -14.375) 22.000 10.065 ( -0.000 -9.270 -17.929) 20.184======================= Grid point 86 (34/147) =======================q-point: ( 0.25 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( 10.814 -0.000 8.196) 13.569 1.236 ( 14.101 -0.000 1.415) 14.172 1.563 ( 7.984 -0.000 7.864) 11.207 1.974 ( -5.902 0.000 1.254) 6.034 2.143 ( -3.419 0.000 7.434) 8.182 2.431 ( -0.091 0.000 6.951) 6.952 2.755 ( 0.900 -0.000 5.744) 5.814 2.852 ( 11.847 -0.000 7.043) 13.783 3.208 ( 5.142 -0.000 -2.011) 5.521 3.320 ( -4.852 0.000 -2.495) 5.456 3.422 ( -6.338 0.000 0.920) 6.404 4.112 ( -2.004 0.000 -1.654) 2.599 5.459 ( -2.017 0.000 -1.618) 2.586 5.695 ( 2.667 -0.000 5.702) 6.295 5.762 ( -3.372 0.000 4.431) 5.568 6.070 ( 4.349 -0.000 -7.805) 8.935 6.243 ( -5.460 0.000 0.251) 5.466 6.582 ( 11.567 -0.000 15.228) 19.123 9.034 ( 6.775 -0.000 -3.707) 7.723 9.174 ( -24.905 0.000 -5.515) 25.509 9.412 ( -14.482 0.000 -19.381) 24.194======================= Grid point 87 (35/147) =======================q-point: ( 0.38 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 7.764 3.315 6.154) 10.447 1.447 ( 11.245 -0.244 3.070) 11.659 1.617 ( -1.058 3.713 3.461) 5.185 1.863 ( -6.765 -1.163 0.599) 6.891 2.111 ( -1.698 -2.620 9.964) 10.442 2.440 ( 0.359 -1.007 6.181) 6.273 2.752 ( -0.712 0.327 6.074) 6.125 3.001 ( 5.609 5.662 5.243) 9.540 3.219 ( -5.385 -4.151 -1.304) 6.924 3.264 ( 3.805 3.976 -2.019) 5.862 3.400 ( 1.172 -3.112 -0.393) 3.348 4.090 ( -0.851 -0.463 -1.501) 1.787 5.429 ( -4.752 -3.456 -2.191) 6.271 5.712 ( -2.595 0.191 6.729) 7.214 5.742 ( 2.817 -0.495 3.572) 4.576 6.106 ( -0.256 1.631 -9.823) 9.960 6.140 ( -4.768 0.053 -0.924) 4.857 6.831 ( 16.887 -1.029 15.074) 22.659 8.668 ( -23.045 12.538 -1.395) 26.272 9.125 ( 3.678 0.851 -4.727) 6.050 9.281 ( -13.909 -16.405 -16.170) 26.908======================= Grid point 88 (36/147) =======================q-point: (-0.50 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( 2.826 9.196 4.892) 10.793 1.429 ( -7.969 11.096 5.730) 14.815 1.599 ( 5.315 -0.811 4.656) 7.112 1.813 ( -3.273 -3.234 -2.279) 5.135 2.131 ( -0.792 -2.752 12.018) 12.355 2.457 ( 0.240 -0.748 5.780) 5.833 2.729 ( -1.346 0.483 5.718) 5.894 2.898 ( -2.385 9.079 3.552) 10.037 3.166 ( -3.580 3.785 -0.850) 5.279 3.363 ( 7.000 -3.789 -0.608) 7.983 3.496 ( 4.151 -4.319 -2.555) 6.512 4.096 ( 0.220 -1.425 -1.436) 2.035 5.369 ( -8.517 -4.626 -1.891) 9.875 5.674 ( -2.009 -0.054 8.922) 9.146 5.797 ( 2.764 -1.105 1.811) 3.484 6.003 ( -4.883 2.331 -2.143) 5.820 6.132 ( -0.274 -0.029 -9.845) 9.849 7.051 ( 12.297 10.810 15.117) 22.284 8.298 ( -10.418 -3.196 -0.198) 10.899 9.116 ( -8.840 -9.868 -2.633) 13.508 9.350 ( -0.627 -13.194 -15.058) 20.030======================= Grid point 89 (37/147) =======================q-point: (-0.38 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( -7.155 13.576 3.289) 15.695 1.194 ( -1.951 13.567 9.032) 16.415 1.645 ( 3.548 7.021 7.673) 10.989 1.793 ( -3.900 -3.574 -0.705) 5.337 2.147 ( -0.280 -2.664 11.803) 12.104 2.462 ( -0.111 -0.096 5.692) 5.694 2.699 ( -1.088 1.369 4.266) 4.611 2.786 ( 0.138 7.119 4.421) 8.381 3.049 ( -2.907 5.974 0.426) 6.658 3.513 ( 4.107 -5.808 -1.602) 7.291 3.599 ( 3.253 -1.830 -4.727) 6.023 4.126 ( 0.572 -2.337 -1.532) 2.852 5.270 ( -8.945 -4.290 -0.400) 9.928 5.648 ( -1.401 -0.315 10.621) 10.717 5.851 ( 1.754 -1.616 1.027) 2.597 5.937 ( -0.325 1.025 -1.259) 1.656 6.108 ( -1.755 1.536 -11.618) 11.850 6.939 ( 1.358 21.944 17.125) 27.869 8.449 ( 6.658 -21.477 -5.696) 23.195 9.107 ( -8.606 -13.563 2.953) 16.332 9.520 ( 1.059 -15.161 -16.008) 22.073======================= Grid point 90 (38/147) =======================q-point: (-0.25 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.862 ( 0.000 15.112 5.333) 16.025 1.007 ( 0.000 15.856 9.927) 18.707 1.509 ( 0.000 18.614 12.455) 22.397 1.830 ( -0.000 -7.613 0.686) 7.643 2.185 ( -0.000 -3.457 9.795) 10.387 2.462 ( -0.000 -0.278 6.746) 6.752 2.646 ( 0.000 7.347 0.848) 7.396 2.728 ( 0.000 2.836 8.303) 8.774 2.967 ( 0.000 3.379 0.885) 3.493 3.620 ( -0.000 -6.391 -2.195) 6.757 3.622 ( 0.000 2.424 -5.265) 5.796 4.161 ( -0.000 -2.632 -1.730) 3.150 5.228 ( -0.000 -3.171 0.970) 3.316 5.639 ( -0.000 -0.221 11.434) 11.436 5.886 ( -0.000 -1.831 0.779) 1.990 5.958 ( -0.000 -2.093 1.223) 2.424 6.046 ( 0.000 4.391 -13.914) 14.590 6.713 ( 0.000 16.992 16.425) 23.633 8.817 ( -0.000 -24.966 -13.449) 28.358 9.158 ( -0.000 -9.486 8.199) 12.538 9.721 ( -0.000 -17.791 -16.161) 24.036======================= Grid point 95 (39/147) =======================q-point: ( 0.38 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 6.651 -0.000 6.863) 9.557 1.530 ( -2.199 0.000 -0.855) 2.360 1.651 ( -1.311 0.000 5.493) 5.647 1.731 ( -3.213 0.000 -1.073) 3.388 2.084 ( 0.805 -0.000 12.376) 12.402 2.447 ( 0.999 -0.000 5.195) 5.290 2.736 ( -1.360 0.000 6.268) 6.414 3.043 ( -8.366 0.000 -1.126) 8.441 3.177 ( 6.498 -0.000 3.613) 7.435 3.365 ( 4.398 -0.000 -1.299) 4.586 3.398 ( 2.532 -0.000 -2.672) 3.681 4.079 ( -0.153 0.000 -1.335) 1.344 5.308 ( -7.859 0.000 -2.161) 8.151 5.676 ( -1.990 0.000 8.484) 8.714 5.784 ( 2.625 -0.000 1.980) 3.288 6.030 ( -6.163 0.000 0.652) 6.197 6.132 ( 0.597 -0.000 -11.816) 11.831 7.155 ( 22.628 -0.000 11.447) 25.359 8.409 ( -18.967 0.000 9.270) 21.111 8.803 ( -22.212 0.000 -11.562) 25.041 9.260 ( 5.643 -0.000 -10.644) 12.048======================= Grid point 96 (40/147) =======================q-point: (-0.50 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( -8.263 7.375 2.799) 11.423 1.451 ( 3.376 7.467 8.044) 11.483 1.626 ( -2.244 -2.386 3.111) 4.518 1.762 ( 1.893 -2.757 -2.167) 3.985 2.116 ( 1.410 -0.223 13.798) 13.872 2.463 ( 0.737 0.072 4.718) 4.776 2.712 ( -1.147 0.280 6.206) 6.317 2.916 ( -4.050 2.655 -0.254) 4.849 3.203 ( 0.995 6.529 0.529) 6.625 3.430 ( 3.845 -0.995 -0.134) 3.974 3.496 ( 3.235 -5.922 -4.863) 8.318 4.085 ( 0.152 -1.004 -1.226) 1.591 5.184 ( -8.006 -2.369 -0.707) 8.379 5.648 ( -1.172 0.158 9.670) 9.742 5.824 ( 1.650 -0.667 1.213) 2.154 5.951 ( -2.890 0.359 0.522) 2.959 6.135 ( 0.072 0.588 -12.351) 12.366 7.451 ( 17.265 16.675 11.328) 26.542 8.131 ( -6.505 -1.198 2.720) 7.152 8.609 ( -19.661 -24.715 0.513) 31.586 9.346 ( 3.396 -2.247 -12.340) 12.994======================= Grid point 97 (41/147) =======================q-point: (-0.38 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( 0.000 11.377 3.826) 12.003 1.349 ( 0.000 13.395 9.250) 16.278 1.661 ( -0.000 -6.558 -0.201) 6.561 1.785 ( 0.000 3.578 2.536) 4.386 2.123 ( -0.000 -0.513 13.914) 13.923 2.465 ( 0.000 0.409 4.690) 4.707 2.698 ( 0.000 0.427 5.732) 5.747 2.854 ( 0.000 3.993 1.039) 4.126 3.112 ( 0.000 8.569 0.371) 8.577 3.490 ( -0.000 -3.775 -0.904) 3.882 3.592 ( -0.000 -4.740 -5.991) 7.640 4.105 ( -0.000 -1.996 -1.318) 2.392 5.144 ( -0.000 -3.526 0.614) 3.579 5.637 ( 0.000 0.149 10.269) 10.270 5.849 ( -0.000 -1.267 0.982) 1.603 5.930 ( -0.000 -0.401 0.841) 0.932 6.120 ( 0.000 1.895 -13.444) 13.577 7.256 ( 0.000 29.173 16.538) 33.534 8.283 ( -0.000 -18.901 -12.049) 22.415 8.742 ( -0.000 -27.317 12.265) 29.944 9.423 ( -0.000 -6.473 -14.668) 16.033======================= Grid point 105 (42/147) =======================q-point: (-0.50 0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 139Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( -0.000 -0.000 4.511) 4.511 1.555 ( -0.000 -0.000 13.192) 13.192 1.569 ( -0.000 -0.000 -1.614) 1.614 1.751 ( -0.000 -0.000 -3.608) 3.608 2.139 ( -0.000 -0.000 13.771) 13.771 2.472 ( -0.000 -0.000 4.430) 4.430 2.703 ( -0.000 -0.000 6.476) 6.476 2.886 ( -0.000 -0.000 -1.412) 1.412 3.269 ( -0.000 -0.000 0.923) 0.923 3.455 ( -0.000 -0.000 0.344) 0.344 3.482 ( 0.000 0.000 -6.866) 6.866 4.080 ( -0.000 -0.000 -1.100) 1.100 5.098 ( -0.000 -0.000 0.293) 0.293 5.640 ( -0.000 -0.000 9.921) 9.921 5.834 ( -0.000 -0.000 1.087) 1.087 5.928 ( -0.000 -0.000 0.569) 0.569 6.141 ( -0.000 -0.000 -12.432) 12.432 7.921 ( 0.000 0.000 10.180) 10.180 8.050 ( -0.000 -0.000 -11.246) 11.246 8.088 ( -0.000 -0.000 17.199) 17.199 9.361 ( -0.000 -0.000 -11.945) 11.945======================= Grid point 134 (43/147) =======================q-point: ( 0.00 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.671 ( 0.000 0.000 18.683) 18.683 0.841 ( 0.000 0.000 20.604) 20.604 1.453 ( 0.000 0.000 33.197) 33.197 2.211 ( 0.000 0.000 5.216) 5.216 2.316 ( 0.000 0.000 4.504) 4.504 2.428 ( 0.000 0.000 9.069) 9.069 2.792 ( 0.000 0.000 17.619) 17.619 2.908 ( 0.000 0.000 10.473) 10.473 2.988 ( 0.000 0.000 -0.817) 0.817 3.368 ( 0.000 0.000 -0.894) 0.894 3.711 ( 0.000 0.000 -5.196) 5.196 4.177 ( 0.000 0.000 -3.434) 3.434 5.322 ( 0.000 0.000 1.904) 1.904 5.488 ( 0.000 0.000 -0.203) 0.203 5.953 ( 0.000 0.000 0.541) 0.541 6.076 ( 0.000 0.000 1.842) 1.842 6.381 ( 0.000 0.000 -0.407) 0.407 6.556 ( 0.000 0.000 22.312) 22.312 9.097 ( 0.000 0.000 -26.545) 26.545 9.462 ( 0.000 0.000 -1.022) 1.022 9.567 ( 0.000 0.000 -34.282) 34.282======================= Grid point 135 (44/147) =======================q-point: ( 0.12 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.783 ( 9.154 -4.593 15.325) 18.432 0.912 ( 4.764 -4.951 17.857) 19.134 1.526 ( 4.192 -5.484 30.256) 31.033 2.155 ( -0.043 6.178 5.040) 7.973 2.399 ( 1.573 -3.621 6.023) 7.201 2.428 ( 1.604 -2.804 7.220) 7.910 2.771 ( -1.031 1.955 16.489) 16.636 2.907 ( -0.082 0.060 8.913) 8.913 3.007 ( 2.666 0.284 1.671) 3.159 3.384 ( -0.542 -3.043 -1.741) 3.548 3.679 ( -2.524 1.935 -4.626) 5.614 4.162 ( -1.237 0.728 -3.276) 3.576 5.396 ( 8.440 0.773 0.677) 8.503 5.510 ( -0.435 -4.173 -0.879) 4.286 5.936 ( -1.576 0.651 0.701) 1.844 6.079 ( 0.790 1.593 3.515) 3.939 6.307 ( 0.574 9.784 2.976) 10.242 6.631 ( 1.545 -8.117 18.244) 20.028 9.024 ( -2.705 8.048 -20.765) 22.434 9.303 ( -8.497 8.646 -11.864) 16.962 9.576 ( -5.509 -5.129 -25.813) 26.888======================= Grid point 136 (45/147) =======================q-point: ( 0.25 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 9.808 -6.622 11.755) 16.680 1.094 ( 8.329 -8.010 11.998) 16.658 1.667 ( 3.912 -5.079 23.274) 24.141 2.082 ( -0.426 6.009 4.991) 7.823 2.398 ( -0.758 -0.868 9.574) 9.643 2.571 ( 5.228 -5.801 3.955) 8.754 2.733 ( 0.686 2.660 12.855) 13.146 2.907 ( 0.259 0.176 8.359) 8.365 3.060 ( 3.287 -0.346 3.587) 4.877 3.408 ( -1.483 -3.569 -2.462) 4.583 3.587 ( -4.660 3.706 -2.974) 6.656 4.125 ( -1.818 1.071 -2.950) 3.627 5.531 ( 7.188 1.247 -0.073) 7.296 5.573 ( 2.163 -6.422 -3.147) 7.472 5.895 ( -1.896 1.139 1.435) 2.636 6.035 ( -1.870 4.638 8.031) 9.461 6.228 ( 1.923 7.193 0.140) 7.447 6.773 ( 2.742 -10.574 17.246) 20.414 8.843 ( -2.901 15.352 -17.015) 23.100 9.056 ( -10.847 4.720 -13.132) 17.674 9.512 ( -6.458 -1.969 -23.883) 24.819======================= Grid point 137 (46/147) =======================q-point: ( 0.38 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( 5.451 -4.792 10.975) 13.158 1.349 ( 9.560 -8.890 6.732) 14.688 1.718 ( -1.449 0.952 16.694) 16.784 2.006 ( -1.100 4.463 5.083) 6.853 2.415 ( 0.481 -2.082 10.847) 11.055 2.659 ( 0.076 -1.968 9.394) 9.598 2.782 ( 5.916 0.346 3.134) 6.704 2.925 ( 2.561 -1.167 8.352) 8.813 3.101 ( 0.607 0.020 3.244) 3.301 3.414 ( -2.491 -3.032 -1.522) 4.208 3.459 ( -3.973 4.649 -0.458) 6.132 4.087 ( -1.350 0.787 -2.688) 3.109 5.591 ( 1.428 -1.382 0.217) 1.999 5.707 ( 4.810 -3.584 -6.004) 8.487 5.861 ( -0.370 0.853 3.076) 3.213 5.943 ( -2.174 4.328 7.565) 8.982 6.184 ( 0.240 3.955 -1.031) 4.094 6.953 ( 3.506 -10.412 16.101) 19.492 8.586 ( -4.312 16.260 -18.948) 25.338 8.887 ( -6.155 0.407 -7.647) 9.825 9.436 ( -3.890 -0.342 -23.269) 23.595======================= Grid point 138 (47/147) =======================q-point: (-0.50 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 0.000 0.000 10.518) 10.518 1.541 ( 0.000 -0.000 -1.739) 1.739 1.637 ( 0.000 -0.000 21.431) 21.431 1.966 ( 0.000 -0.000 5.072) 5.072 2.436 ( 0.000 -0.000 11.030) 11.030 2.669 ( 0.000 -0.000 10.562) 10.562 2.822 ( 0.000 0.000 0.557) 0.557 3.013 ( -0.000 0.000 10.807) 10.807 3.066 ( 0.000 -0.000 -0.390) 0.390 3.384 ( 0.000 -0.000 -0.860) 0.860 3.417 ( 0.000 0.000 1.259) 1.259 4.070 ( 0.000 -0.000 -2.596) 2.596 5.612 ( 0.000 -0.000 0.253) 0.253 5.769 ( -0.000 -0.000 -5.335) 5.335 5.874 ( -0.000 0.000 6.042) 6.042 5.881 ( 0.000 -0.000 2.412) 2.412 6.158 ( 0.000 -0.000 -0.825) 0.825 7.060 ( 0.000 0.000 14.862) 14.862 8.434 ( 0.000 -0.000 -17.714) 17.714 8.836 ( 0.000 -0.000 -6.747) 6.747 9.405 ( 0.000 -0.000 -23.077) 23.077======================= Grid point 144 (48/147) =======================q-point: ( 0.12 0.12 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( 11.486 -0.000 12.261) 16.801 0.993 ( 8.289 -0.000 14.520) 16.719 1.602 ( 8.066 -0.000 26.689) 27.881 2.162 ( -2.871 0.000 4.577) 5.403 2.397 ( -1.891 0.000 8.805) 9.006 2.481 ( 8.118 -0.000 4.699) 9.380 2.771 ( 0.053 -0.000 15.036) 15.037 2.912 ( 0.673 -0.000 7.894) 7.922 3.060 ( 3.496 -0.000 2.257) 4.161 3.352 ( -1.259 0.000 -1.705) 2.120 3.631 ( -4.747 0.000 -3.073) 5.655 4.138 ( -2.111 0.000 -3.111) 3.760 5.474 ( -0.937 0.000 -0.970) 1.349 5.558 ( 9.859 -0.000 -0.535) 9.874 5.909 ( -1.989 0.000 1.439) 2.455 6.089 ( -1.237 0.000 5.637) 5.771 6.357 ( -1.761 0.000 -0.329) 1.792 6.631 ( 4.576 -0.000 17.127) 17.728 9.002 ( -4.717 0.000 -4.097) 6.248 9.206 ( -9.893 0.000 -24.372) 26.303 9.410 ( -9.254 0.000 -27.818) 29.317======================= Grid point 145 (49/147) =======================q-point: ( 0.25 0.12 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 9.193 -1.844 10.418) 14.016 1.176 ( 10.465 -5.261 8.768) 14.631 1.734 ( 6.529 0.417 20.835) 21.838 2.092 ( -3.891 2.234 4.214) 6.156 2.367 ( -1.777 -1.182 9.302) 9.544 2.595 ( 2.188 -2.347 6.739) 7.464 2.808 ( 6.062 1.127 9.722) 11.512 2.929 ( 2.308 0.745 8.002) 8.361 3.116 ( 3.453 0.655 2.681) 4.420 3.336 ( -2.957 -2.711 -2.867) 4.931 3.532 ( -5.653 1.617 -0.466) 5.898 4.100 ( -2.149 0.305 -2.793) 3.537 5.478 ( -1.721 -4.191 -1.928) 4.924 5.698 ( 7.376 0.359 -0.737) 7.421 5.878 ( -1.159 0.487 3.173) 3.413 6.034 ( -3.378 2.461 5.484) 6.895 6.291 ( -2.487 3.984 -0.344) 4.709 6.756 ( 6.644 -5.236 15.162) 17.362 8.920 ( -3.782 1.741 -2.355) 4.784 8.957 ( -9.591 13.805 -27.392) 32.139 9.311 ( -9.948 -9.123 -23.567) 27.158======================= Grid point 146 (50/147) =======================q-point: ( 0.38 0.12 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.260 ( 5.484 -1.136 9.334) 10.885 1.418 ( 9.447 -6.700 4.209) 12.323 1.758 ( 0.793 6.097 16.928) 18.010 1.994 ( -4.627 1.872 4.268) 6.568 2.381 ( -0.430 -3.823 10.575) 11.254 2.624 ( -0.819 -2.733 8.189) 8.672 2.859 ( 0.922 2.169 4.928) 5.462 3.016 ( 8.834 0.936 7.806) 11.826 3.130 ( 0.561 3.761 2.137) 4.362 3.307 ( -5.079 -4.067 -2.728) 7.055 3.448 ( -1.806 0.671 1.770) 2.617 4.070 ( -1.180 -0.052 -2.508) 2.772 5.504 ( -3.102 -6.457 -2.332) 7.533 5.783 ( 3.614 0.406 -0.068) 3.637 5.866 ( 0.139 0.175 5.590) 5.594 5.947 ( -2.624 3.344 0.975) 4.361 6.200 ( -3.335 3.028 -0.472) 4.529 6.956 ( 8.810 -6.448 13.500) 17.362 8.598 ( -13.021 11.983 -20.028) 26.726 8.885 ( 2.115 3.554 -6.147) 7.408 9.282 ( -7.269 -10.136 -20.824) 24.274======================= Grid point 147 (51/147) =======================q-point: (-0.50 0.12 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.302 ( 0.343 3.119 9.416) 9.925 1.530 ( -3.941 3.992 0.224) 5.614 1.711 ( 5.953 2.406 18.919) 19.979 1.925 ( -3.349 -1.989 4.564) 6.000 2.413 ( -0.767 -2.553 10.901) 11.222 2.643 ( -0.868 -2.731 9.091) 9.532 2.819 ( -2.036 2.890 1.786) 3.960 3.008 ( -3.291 5.893 9.794) 11.895 3.137 ( 2.940 3.051 0.901) 4.332 3.325 ( 1.343 -6.493 -0.606) 6.658 3.452 ( 1.614 -0.157 0.083) 1.624 4.067 ( 0.230 -0.853 -2.373) 2.532 5.509 ( -5.617 -6.169 -1.729) 8.520 5.815 ( 1.914 1.623 -0.602) 2.581 5.869 ( -2.575 3.261 -2.323) 4.761 5.878 ( 0.675 -1.231 8.100) 8.221 6.132 ( -2.794 -0.481 -0.511) 2.881 7.127 ( 6.494 2.287 13.558) 15.206 8.343 ( -7.893 -1.623 -14.940) 16.974 8.912 ( 5.361 2.207 -10.506) 11.999 9.313 ( -3.362 -10.580 -17.068) 20.361======================= Grid point 148 (52/147) =======================q-point: (-0.38 0.12 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( -5.541 8.169 9.782) 13.896 1.318 ( -7.459 10.431 7.711) 14.963 1.786 ( 4.111 4.057 16.930) 17.888 1.932 ( -2.103 -6.271 4.874) 8.216 2.412 ( -0.901 -0.300 10.856) 10.897 2.658 ( -0.462 -2.200 10.821) 11.052 2.720 ( -3.884 5.153 1.170) 6.558 2.925 ( -0.524 2.396 9.540) 9.850 3.094 ( -2.552 2.785 4.090) 5.568 3.447 ( 3.184 -3.266 -2.181) 5.056 3.491 ( 3.198 -1.675 -2.992) 4.689 4.093 ( 1.119 -1.573 -2.471) 3.136 5.456 ( -8.539 -4.726 -0.938) 9.804 5.749 ( -1.269 7.321 -4.577) 8.727 5.863 ( 1.601 -1.426 1.605) 2.679 5.922 ( 1.230 -3.799 9.415) 10.227 6.109 ( -3.434 -3.329 -0.702) 4.834 7.077 ( 0.906 14.497 17.660) 22.866 8.414 ( 0.156 -18.482 -17.963) 25.773 9.007 ( 7.258 -0.548 -13.691) 15.506 9.414 ( 0.783 -10.269 -13.761) 17.188======================= Grid point 149 (53/147) =======================q-point: (-0.25 0.12 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.961 ( -7.897 10.044 11.551) 17.224 1.105 ( -3.597 10.910 12.905) 17.278 1.728 ( -0.207 10.268 23.267) 25.433 1.986 ( -1.501 -7.864 4.682) 9.274 2.408 ( 0.052 -0.384 9.722) 9.729 2.592 ( -1.988 7.848 2.319) 8.421 2.698 ( 0.456 -3.921 13.082) 13.664 2.912 ( 0.444 0.690 9.816) 9.850 3.019 ( -2.867 1.773 4.736) 5.813 3.467 ( 1.102 2.921 -4.430) 5.420 3.596 ( 2.548 -4.990 -4.235) 7.023 4.132 ( 0.989 -1.793 -2.800) 3.469 5.358 ( -7.732 -2.697 0.703) 8.219 5.658 ( 0.356 7.405 -3.090) 8.032 5.909 ( 1.559 -1.531 0.830) 2.338 6.000 ( 1.405 -5.236 7.828) 9.522 6.094 ( -4.126 -6.022 1.952) 7.556 6.898 ( -0.400 15.167 19.756) 24.909 8.674 ( 1.766 -20.785 -23.013) 31.060 9.148 ( 5.993 -4.410 -15.864) 17.523 9.556 ( 2.988 -7.757 -12.546) 15.049======================= Grid point 150 (54/147) =======================q-point: (-0.12 0.12 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.777 ( 0.000 8.514 15.447) 17.638 0.956 ( 0.000 9.147 16.729) 19.066 1.593 ( 0.000 10.764 28.826) 30.770 2.064 ( -0.000 -7.932 4.829) 9.286 2.418 ( -0.000 -0.779 9.111) 9.144 2.477 ( 0.000 8.833 3.454) 9.484 2.750 ( -0.000 -3.537 15.665) 16.059 2.911 ( 0.000 0.344 10.663) 10.668 2.980 ( 0.000 0.274 2.171) 2.188 3.433 ( 0.000 4.154 -3.493) 5.427 3.667 ( -0.000 -3.691 -5.019) 6.230 4.160 ( -0.000 -1.441 -3.158) 3.471 5.309 ( -0.000 -1.271 1.919) 2.302 5.579 ( 0.000 6.862 -2.125) 7.183 5.939 ( -0.000 -1.192 0.621) 1.344 6.048 ( -0.000 -2.194 1.982) 2.957 6.167 ( -0.000 -11.594 7.719) 13.928 6.737 ( 0.000 11.915 18.995) 22.423 8.905 ( -0.000 -15.931 -26.057) 30.542 9.275 ( -0.000 -7.834 -15.116) 17.026 9.647 ( -0.000 -1.783 -16.248) 16.346======================= Grid point 153 (55/147) =======================q-point: ( 0.25 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( 9.062 -0.000 7.610) 11.833 1.301 ( 9.538 -0.000 5.316) 10.919 1.841 ( 4.811 -0.000 18.119) 18.747 2.021 ( -6.235 0.000 3.437) 7.119 2.323 ( -1.863 0.000 9.705) 9.882 2.587 ( -0.861 0.000 7.730) 7.778 2.888 ( 1.661 -0.000 7.394) 7.578 3.036 ( 10.040 -0.000 7.795) 12.710 3.182 ( 3.710 -0.000 2.065) 4.245 3.248 ( -5.901 0.000 -4.561) 7.458 3.451 ( -4.811 0.000 1.949) 5.191 4.069 ( -1.671 0.000 -2.423) 2.943 5.415 ( -2.951 0.000 -2.699) 3.999 5.787 ( 3.399 -0.000 1.697) 3.799 5.869 ( -0.303 0.000 5.633) 5.641 5.990 ( -3.212 0.000 0.251) 3.222 6.247 ( -5.154 0.000 0.028) 5.154 6.868 ( 10.608 -0.000 12.535) 16.421 8.823 ( -9.603 0.000 -27.167) 28.814 8.992 ( -0.561 0.000 -10.585) 10.600 9.022 ( -13.207 0.000 -9.179) 16.084======================= Grid point 154 (56/147) =======================q-point: ( 0.38 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( 6.282 3.431 6.229) 9.489 1.485 ( 6.698 -4.756 1.856) 8.422 1.846 ( -0.580 5.839 15.124) 16.223 1.909 ( -6.047 -0.333 5.217) 7.994 2.330 ( 0.223 -3.254 10.898) 11.376 2.582 ( -0.734 -1.758 7.118) 7.369 2.880 ( -0.920 1.946 5.894) 6.274 3.130 ( -5.611 1.756 2.223) 6.285 3.207 ( 4.401 -1.233 5.047) 6.809 3.216 ( 5.111 2.960 -2.213) 6.307 3.411 ( -1.231 -2.672 1.792) 3.445 4.052 ( -0.555 -0.376 -2.079) 2.184 5.377 ( -4.916 -3.872 -2.976) 6.929 5.817 ( 0.815 -0.160 3.064) 3.174 5.868 ( 0.069 -0.034 7.968) 7.968 5.943 ( -1.377 1.856 -4.798) 5.325 6.146 ( -5.868 0.887 0.444) 5.951 7.085 ( 13.224 -2.852 8.741) 16.106 8.519 ( -13.801 13.542 -19.084) 27.167 8.916 ( -4.759 -7.711 -11.927) 14.979 9.038 ( -1.503 -6.421 -4.343) 7.896======================= Grid point 155 (57/147) =======================q-point: (-0.50 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( 1.024 7.649 6.358) 9.999 1.509 ( -4.058 4.642 3.158) 6.928 1.809 ( -2.238 -3.167 3.262) 5.068 1.853 ( 2.579 1.553 16.237) 16.514 2.377 ( 0.705 -2.424 11.226) 11.507 2.598 ( -0.601 -2.369 7.567) 7.952 2.822 ( -2.213 3.383 2.564) 4.787 3.011 ( -4.544 2.616 6.452) 8.314 3.169 ( -1.300 3.845 2.096) 4.568 3.352 ( 6.682 -1.655 -0.195) 6.887 3.454 ( 1.223 -3.307 -0.709) 3.596 4.060 ( 0.413 -1.162 -1.922) 2.283 5.332 ( -7.334 -5.336 -1.862) 9.259 5.835 ( 0.857 -0.811 1.667) 2.042 5.868 ( -0.691 0.502 7.569) 7.617 5.892 ( -0.286 3.083 -3.380) 4.584 6.061 ( -4.437 -1.096 0.094) 4.571 7.313 ( 12.052 3.100 8.366) 14.995 8.191 ( -11.119 3.173 -12.305) 16.886 8.971 ( -0.304 -7.924 -19.313) 20.878 9.112 ( -0.396 -9.882 3.327) 10.435======================= Grid point 156 (58/147) =======================q-point: (-0.38 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.211 ( -5.736 11.118 7.520) 14.597 1.372 ( -1.087 11.356 8.354) 14.140 1.808 ( -2.978 -7.134 3.417) 8.452 1.909 ( 3.775 3.875 16.187) 17.068 2.398 ( 0.163 -0.345 11.223) 11.229 2.616 ( -0.530 -2.758 9.380) 9.791 2.741 ( -1.717 4.671 0.601) 5.012 2.945 ( -0.762 1.585 9.174) 9.341 3.093 ( -1.796 4.574 4.492) 6.658 3.465 ( 3.516 -3.301 -3.206) 5.791 3.503 ( 0.871 -1.949 -3.769) 4.332 4.087 ( 0.618 -1.875 -2.064) 2.856 5.270 ( -6.605 -4.703 0.355) 8.116 5.804 ( -0.507 4.690 -1.831) 5.060 5.874 ( 1.311 -1.261 1.008) 2.079 5.905 ( 1.225 -1.970 6.613) 7.009 6.013 ( -3.993 -2.033 0.319) 4.492 7.308 ( 3.571 18.926 17.416) 25.967 8.181 ( -2.177 -18.732 -20.225) 27.653 9.066 ( 2.315 -4.946 -23.836) 24.453 9.259 ( 0.296 -15.234 7.818) 17.125======================= Grid point 157 (59/147) =======================q-point: (-0.25 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( 0.000 11.801 10.305) 15.666 1.218 ( 0.000 12.799 10.888) 16.804 1.855 ( 0.000 9.799 20.067) 22.331 1.876 ( -0.000 -8.317 4.143) 9.292 2.402 ( -0.000 -0.376 10.133) 10.140 2.652 ( -0.000 -4.181 11.660) 12.387 2.663 ( 0.000 6.605 0.809) 6.654 2.929 ( 0.000 1.122 10.511) 10.570 3.025 ( 0.000 3.723 5.244) 6.431 3.503 ( 0.000 1.246 -5.976) 6.104 3.556 ( -0.000 -5.298 -3.988) 6.631 4.117 ( -0.000 -2.115 -2.443) 3.231 5.256 ( -0.000 -3.419 1.779) 3.854 5.741 ( 0.000 6.176 -3.127) 6.923 5.904 ( -0.000 -1.663 0.803) 1.846 5.966 ( -0.000 -5.317 7.053) 8.833 5.992 ( -0.000 -2.281 2.053) 3.069 7.098 ( 0.000 19.400 20.945) 28.549 8.429 ( -0.000 -23.435 -24.469) 33.882 9.143 ( -0.000 -4.406 -21.945) 22.383 9.443 ( -0.000 -14.708 1.428) 14.777======================= Grid point 162 (60/147) =======================q-point: ( 0.38 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 4.397 -0.000 3.802) 5.813 1.536 ( 2.715 -0.000 1.919) 3.325 1.755 ( -7.529 0.000 3.064) 8.129 1.895 ( -0.484 0.000 16.469) 16.476 2.337 ( 2.835 -0.000 11.818) 12.153 2.567 ( 0.114 -0.000 6.029) 6.031 2.874 ( -1.416 0.000 6.451) 6.605 3.000 ( -7.835 0.000 -3.329) 8.513 3.274 ( 1.984 -0.000 3.905) 4.380 3.355 ( 7.286 -0.000 2.666) 7.759 3.365 ( -0.746 0.000 0.288) 0.800 4.046 ( 0.117 -0.000 -1.706) 1.710 5.260 ( -6.592 0.000 -2.505) 7.052 5.826 ( 0.767 -0.000 1.729) 1.891 5.867 ( -0.139 0.000 9.607) 9.608 5.941 ( -0.585 0.000 -6.029) 6.058 6.049 ( -5.808 0.000 1.328) 5.958 7.305 ( 15.340 -0.000 1.251) 15.391 8.411 ( -14.613 0.000 -27.643) 31.267 8.665 ( -7.410 0.000 15.474) 17.157 9.065 ( 3.151 -0.000 -6.119) 6.883======================= Grid point 163 (61/147) =======================q-point: (-0.50 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( -4.853 7.991 5.091) 10.645 1.557 ( 3.667 1.694 4.170) 5.806 1.698 ( -4.091 -0.418 1.911) 4.535 1.905 ( 1.848 -2.623 15.572) 15.899 2.392 ( 2.567 -0.228 12.215) 12.484 2.577 ( 0.199 -0.729 6.051) 6.098 2.823 ( -2.115 3.207 2.425) 4.543 2.921 ( -4.039 -3.496 1.706) 5.607 3.235 ( 0.422 7.258 3.166) 7.930 3.412 ( 1.010 -4.866 -2.546) 5.584 3.443 ( 3.439 -0.116 2.032) 3.996 4.055 ( 0.327 -0.805 -1.539) 1.767 5.172 ( -5.734 -2.850 -0.569) 6.428 5.846 ( 1.203 -0.283 0.997) 1.588 5.863 ( -0.330 0.182 9.711) 9.718 5.917 ( -0.283 1.813 -5.109) 5.428 5.981 ( -3.358 -1.002 0.698) 3.573 7.564 ( 15.441 -0.036 -4.518) 16.088 8.067 ( -14.310 11.374 -10.739) 21.201 8.719 ( -3.625 -19.126 9.211) 21.536 9.113 ( 2.207 -0.846 -4.866) 5.409======================= Grid point 164 (62/147) =======================q-point: (-0.38 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.285 ( 0.000 10.488 6.944) 12.578 1.514 ( 0.000 12.341 6.499) 13.948 1.689 ( -0.000 -7.642 3.368) 8.351 1.961 ( -0.000 -1.162 13.889) 13.938 2.407 ( 0.000 0.778 12.299) 12.323 2.588 ( -0.000 -1.276 7.460) 7.569 2.768 ( 0.000 3.070 0.227) 3.079 2.927 ( -0.000 -2.321 5.808) 6.255 3.152 ( 0.000 7.194 4.301) 8.381 3.474 ( -0.000 -1.054 -0.374) 1.118 3.475 ( -0.000 -3.689 -4.681) 5.960 4.072 ( -0.000 -1.577 -1.687) 2.309 5.161 ( -0.000 -4.189 1.013) 4.310 5.839 ( 0.000 2.280 4.653) 5.181 5.871 ( -0.000 -1.100 0.972) 1.467 5.913 ( 0.000 0.026 -1.255) 1.256 5.955 ( -0.000 -0.838 1.711) 1.905 7.602 ( 0.000 23.401 13.861) 27.198 7.935 ( -0.000 -17.182 -21.956) 27.880 8.924 ( -0.000 -19.303 -6.973) 20.524 9.158 ( -0.000 -4.246 3.259) 5.352======================= Grid point 172 (63/147) =======================q-point: (-0.50 0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 139Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( -0.000 -0.000 7.369) 7.369 1.560 ( 0.000 0.000 1.440) 1.440 1.715 ( -0.000 -0.000 -0.020) 0.020 1.881 ( 0.000 0.000 17.702) 17.702 2.420 ( -0.000 -0.000 12.645) 12.645 2.577 ( -0.000 -0.000 5.320) 5.320 2.841 ( -0.000 -1.917 -2.421) 3.088 2.841 ( 0.000 1.917 5.409) 5.739 3.305 ( -0.000 -0.000 2.860) 2.860 3.367 ( 0.000 0.000 -2.938) 2.938 3.476 ( -0.000 -0.000 2.045) 2.045 4.053 ( -0.000 -0.000 -1.375) 1.375 5.105 ( -0.000 -0.000 0.324) 0.324 5.857 ( -0.000 -0.000 1.056) 1.056 5.862 ( -0.000 -0.000 11.172) 11.172 5.922 ( -0.000 -0.000 -7.345) 7.345 5.948 ( -0.000 -0.000 1.418) 1.418 7.725 ( -0.000 -0.000 -20.485) 20.485 8.003 ( -0.000 -0.000 -7.287) 7.287 8.552 ( -0.000 -0.000 27.400) 27.400 9.126 ( -0.000 -0.000 -6.835) 6.835======================= Grid point 201 (64/147) =======================q-point: ( 0.00 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( 0.000 0.000 19.547) 19.547 1.248 ( 0.000 0.000 19.731) 19.731 2.072 ( 0.000 0.000 27.927) 27.927 2.335 ( 0.000 0.000 7.042) 7.042 2.423 ( 0.000 0.000 5.808) 5.808 2.598 ( 0.000 0.000 7.021) 7.021 2.979 ( 0.000 0.000 0.412) 0.412 3.103 ( 0.000 0.000 8.295) 8.295 3.153 ( 0.000 0.000 17.086) 17.086 3.356 ( 0.000 0.000 -0.072) 0.072 3.583 ( 0.000 0.000 -7.480) 7.480 4.102 ( 0.000 0.000 -3.841) 3.841 5.367 ( 0.000 0.000 2.434) 2.434 5.479 ( 0.000 0.000 -0.839) 0.839 5.958 ( 0.000 0.000 -0.159) 0.159 6.109 ( 0.000 0.000 1.288) 1.288 6.350 ( 0.000 0.000 -3.061) 3.061 7.048 ( 0.000 0.000 25.700) 25.700 8.487 ( 0.000 0.000 -32.928) 32.928 8.782 ( 0.000 0.000 -41.935) 41.935 9.430 ( 0.000 0.000 -2.234) 2.234======================= Grid point 202 (65/147) =======================q-point: ( 0.12 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 5.638 -2.615 17.964) 19.009 1.279 ( 1.936 -2.623 18.314) 18.602 2.098 ( 1.024 -2.254 25.905) 26.023 2.280 ( -0.266 5.803 7.214) 9.262 2.504 ( 3.651 -5.072 5.147) 8.096 2.588 ( -0.733 0.074 6.939) 6.978 2.965 ( -1.885 0.018 1.798) 2.605 3.122 ( 0.748 0.662 9.513) 9.566 3.142 ( 1.113 0.609 14.223) 14.280 3.352 ( -1.211 -1.456 -1.310) 2.303 3.570 ( -0.376 1.754 -5.939) 6.204 4.092 ( -0.988 0.399 -3.566) 3.722 5.415 ( 5.874 0.735 1.173) 6.035 5.493 ( -0.896 -3.771 -0.981) 3.998 5.943 ( -1.190 0.625 -0.062) 1.346 6.119 ( 1.616 1.010 0.980) 2.143 6.318 ( -0.404 4.826 -1.658) 5.118 7.075 ( -0.984 -6.024 23.749) 24.521 8.438 ( -0.356 8.558 -32.855) 33.954 8.746 ( 0.295 5.548 -37.744) 38.151 9.359 ( -12.039 -5.738 -2.949) 13.658======================= Grid point 203 (66/147) =======================q-point: ( 0.25 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.283 ( 7.892 -5.011 14.363) 17.137 1.369 ( 3.635 -4.757 15.088) 16.232 2.123 ( -0.256 0.618 19.821) 19.832 2.213 ( -0.753 4.281 8.631) 9.664 2.571 ( -0.165 -1.439 7.092) 7.239 2.648 ( 5.659 -3.605 3.696) 7.660 2.919 ( -2.275 1.360 4.226) 4.988 3.094 ( -1.252 1.472 10.420) 10.598 3.187 ( 3.014 -0.224 8.441) 8.965 3.362 ( -1.225 -3.641 -1.920) 4.294 3.528 ( -0.993 3.442 -2.398) 4.311 4.064 ( -1.527 0.632 -2.920) 3.355 5.513 ( 6.196 0.464 -1.897) 6.496 5.537 ( -0.018 -5.081 -0.610) 5.118 5.916 ( -0.429 1.161 0.592) 1.372 6.122 ( 0.146 1.817 1.200) 2.182 6.236 ( -0.898 6.796 0.230) 6.859 7.151 ( -1.163 -9.793 18.775) 21.207 8.276 ( -2.606 14.336 -32.514) 35.629 8.698 ( 2.397 5.827 -26.791) 27.522 9.202 ( -15.741 -7.448 -6.300) 18.519======================= Grid point 204 (67/147) =======================q-point: ( 0.38 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 5.870 -4.954 12.587) 14.746 1.489 ( 3.952 -4.782 9.896) 11.680 2.070 ( -1.794 4.069 14.063) 14.749 2.155 ( -1.819 2.336 11.463) 11.839 2.596 ( 0.708 -1.796 6.441) 6.725 2.766 ( 3.642 -2.415 2.341) 4.958 2.873 ( -0.606 2.713 3.636) 4.577 3.074 ( 0.101 -1.119 7.592) 7.675 3.230 ( 2.035 0.580 8.255) 8.522 3.379 ( -2.802 -3.971 -1.340) 5.041 3.471 ( 0.019 3.839 1.439) 4.100 4.034 ( -1.184 0.497 -2.306) 2.639 5.588 ( -2.445 -8.187 -2.213) 8.826 5.602 ( 6.665 4.213 -2.925) 8.410 5.916 ( 2.231 0.842 2.197) 3.243 6.066 ( -3.731 2.538 3.842) 5.926 6.159 ( -0.289 4.302 -1.114) 4.453 7.249 ( -0.575 -8.906 12.521) 15.376 8.069 ( -2.797 11.621 -29.966) 32.262 8.691 ( 3.852 4.649 -14.169) 15.402 9.045 ( -11.856 -5.402 -12.898) 18.333======================= Grid point 205 (68/147) =======================q-point: (-0.50 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 0.000 0.000 14.053) 14.053 1.572 ( 0.000 -0.000 4.672) 4.672 2.020 ( 0.000 -0.000 14.048) 14.048 2.119 ( 0.000 -0.000 11.838) 11.838 2.617 ( 0.000 -0.000 5.989) 5.989 2.818 ( 0.000 -0.000 -0.066) 0.066 2.837 ( 0.000 0.000 4.649) 4.649 3.102 ( 0.000 -0.000 4.658) 4.658 3.235 ( 0.000 -0.000 10.394) 10.394 3.369 ( 0.000 -0.000 -0.371) 0.371 3.455 ( 0.000 0.000 2.214) 2.214 4.020 ( 0.000 -0.000 -2.060) 2.060 5.617 ( 0.000 0.000 -0.044) 0.044 5.635 ( -0.000 -0.000 -6.387) 6.387 5.973 ( -0.000 0.000 4.552) 4.552 5.973 ( 0.000 -0.000 3.330) 3.330 6.130 ( 0.000 -0.000 -1.602) 1.602 7.304 ( 0.000 -0.000 9.074) 9.074 7.969 ( 0.000 -0.000 -27.942) 27.942 8.700 ( 0.000 -0.000 -6.133) 6.133 8.972 ( -0.000 -0.000 -18.622) 18.622======================= Grid point 211 (69/147) =======================q-point: ( 0.12 0.12 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.221 ( 7.801 -0.000 16.103) 17.893 1.306 ( 3.388 -0.000 16.258) 16.607 2.123 ( 2.987 -0.000 24.106) 24.291 2.275 ( -3.524 0.000 6.546) 7.434 2.562 ( -1.905 0.000 6.975) 7.231 2.585 ( 8.352 -0.000 5.310) 9.897 2.934 ( -1.755 0.000 1.334) 2.205 3.118 ( -1.108 0.000 12.440) 12.490 3.197 ( 4.312 -0.000 10.248) 11.118 3.304 ( -3.282 0.000 -3.247) 4.617 3.569 ( -1.147 0.000 -2.720) 2.952 4.072 ( -1.622 0.000 -3.277) 3.656 5.445 ( -2.082 0.000 -2.086) 2.947 5.541 ( 8.166 -0.000 -1.084) 8.238 5.930 ( -0.488 0.000 0.620) 0.789 6.145 ( 0.223 -0.000 0.596) 0.636 6.334 ( -1.425 0.000 -2.277) 2.686 7.025 ( -0.620 0.000 20.406) 20.415 8.478 ( -2.142 0.000 -32.831) 32.901 8.781 ( 0.118 -0.000 -33.293) 33.294 9.070 ( -16.357 0.000 -2.714) 16.580======================= Grid point 212 (70/147) =======================q-point: ( 0.25 0.12 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( 7.347 -2.715 13.182) 15.334 1.389 ( 4.468 -2.990 12.740) 13.828 2.158 ( 1.887 2.633 19.560) 19.826 2.199 ( -4.356 1.168 6.777) 8.140 2.542 ( -1.170 -1.888 7.514) 7.835 2.716 ( 4.620 -1.474 5.429) 7.280 2.918 ( 1.445 1.166 0.389) 1.897 3.094 ( -0.697 1.691 9.322) 9.500 3.242 ( 0.308 -0.269 2.373) 2.408 3.286 ( 0.115 -2.561 3.875) 4.646 3.534 ( -1.923 1.327 0.615) 2.416 4.043 ( -1.556 0.253 -2.591) 3.032 5.429 ( -2.835 -4.296 -3.003) 5.959 5.661 ( 7.097 1.147 -2.561) 7.631 5.934 ( 1.426 0.509 2.143) 2.624 6.112 ( -3.706 1.117 1.714) 4.233 6.275 ( -2.453 3.962 -1.304) 4.839 7.058 ( 0.856 -5.285 13.885) 14.882 8.324 ( -9.245 8.415 -32.320) 34.653 8.795 ( 3.558 1.377 -19.060) 19.438 8.890 ( -9.790 -4.737 -9.318) 14.322======================= Grid point 213 (71/147) =======================q-point: ( 0.38 0.12 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 3.463 -3.050 13.089) 13.879 1.517 ( 5.335 -3.742 6.762) 9.391 2.084 ( -4.539 3.123 8.873) 10.444 2.146 ( -0.385 3.066 15.236) 15.546 2.568 ( -0.241 -3.628 7.336) 8.187 2.751 ( -1.170 -2.141 4.512) 5.130 2.927 ( 0.462 3.950 0.293) 3.988 3.094 ( 3.555 0.181 3.953) 5.320 3.261 ( -3.502 -6.423 -1.114) 7.400 3.299 ( 2.476 3.984 10.417) 11.424 3.494 ( -0.806 1.121 2.687) 3.021 4.022 ( -0.641 0.103 -1.934) 2.040 5.447 ( -3.655 -7.353 -3.374) 8.877 5.738 ( 5.012 2.740 -3.119) 6.508 5.966 ( 2.905 0.158 4.010) 4.954 6.009 ( -6.064 1.779 3.030) 7.008 6.184 ( -2.636 3.829 -0.935) 4.742 7.165 ( 2.480 -8.079 6.594) 10.720 8.076 ( -9.423 5.934 -29.922) 31.927 8.760 ( -3.063 4.172 -5.855) 7.814 8.919 ( 5.713 -3.802 -14.599) 16.132======================= Grid point 214 (72/147) =======================q-point: (-0.50 0.12 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( -0.757 0.835 13.186) 13.234 1.578 ( -0.539 1.834 4.877) 5.238 2.003 ( -2.962 -1.630 8.323) 8.983 2.128 ( 2.093 1.140 15.984) 16.161 2.592 ( -1.303 -2.177 6.322) 6.812 2.768 ( -0.670 -3.143 1.762) 3.665 2.859 ( -2.176 2.947 3.112) 4.807 3.137 ( 1.058 2.696 3.446) 4.501 3.234 ( -1.644 -0.093 6.350) 6.560 3.342 ( 2.351 -3.270 3.807) 5.542 3.473 ( -0.092 1.941 2.029) 2.810 4.023 ( 0.593 -0.387 -1.674) 1.817 5.463 ( -5.320 -7.389 -2.807) 9.528 5.756 ( 2.777 5.504 -2.482) 6.646 5.906 ( -4.168 0.207 2.447) 4.838 6.019 ( 2.691 -1.159 5.398) 6.142 6.118 ( -2.048 0.623 -0.667) 2.242 7.304 ( 3.841 -5.650 2.637) 7.323 7.912 ( -6.401 -0.894 -26.886) 27.652 8.668 ( -2.437 3.436 -10.752) 11.548 9.092 ( 11.454 -1.285 -5.591) 12.810======================= Grid point 215 (73/147) =======================q-point: (-0.38 0.12 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( -6.862 6.200 12.097) 15.227 1.496 ( -2.503 5.825 10.803) 12.526 2.026 ( -0.998 -6.538 7.730) 10.173 2.175 ( 3.337 0.364 16.605) 16.941 2.583 ( -1.306 -0.785 6.044) 6.233 2.733 ( -3.160 3.341 0.077) 4.599 2.860 ( 1.016 -3.742 7.735) 8.652 3.101 ( 0.195 2.333 7.521) 7.877 3.211 ( -1.281 1.392 6.869) 7.125 3.420 ( 0.258 -3.982 0.003) 3.991 3.444 ( 0.960 2.192 -1.020) 2.601 4.047 ( 1.226 -0.823 -1.939) 2.437 5.435 ( -6.722 -5.111 -1.100) 8.515 5.704 ( 0.652 7.272 -0.390) 7.312 5.884 ( 0.137 -1.395 0.546) 1.505 6.071 ( 0.463 -2.368 3.915) 4.599 6.106 ( -0.901 -3.318 1.405) 3.714 7.371 ( 3.336 5.633 8.549) 10.768 7.921 ( -2.520 -13.783 -28.861) 32.082 8.612 ( -1.530 0.374 -19.784) 19.846 9.303 ( 13.382 0.673 -0.368) 13.404======================= Grid point 216 (74/147) =======================q-point: (-0.25 0.12 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.233 ( -5.754 6.553 14.956) 17.312 1.385 ( -1.933 6.254 14.777) 16.162 2.098 ( -0.332 -7.406 8.350) 11.167 2.191 ( 0.641 2.955 19.336) 19.571 2.577 ( -0.251 -0.481 6.995) 7.016 2.637 ( -2.082 5.217 2.120) 6.004 2.928 ( 1.671 -3.733 7.876) 8.874 3.103 ( 1.043 0.010 9.007) 9.067 3.161 ( -1.931 2.098 8.964) 9.407 3.397 ( -0.493 1.996 -1.785) 2.723 3.499 ( 0.834 -3.816 -5.032) 6.370 4.076 ( 0.913 -0.934 -2.599) 2.909 5.378 ( -5.197 -2.740 1.251) 6.007 5.630 ( 0.435 7.043 0.064) 7.057 5.918 ( 1.303 -1.437 -0.044) 1.941 6.079 ( -1.679 -2.229 1.545) 3.190 6.167 ( 0.331 -6.476 3.200) 7.231 7.302 ( 1.540 11.627 17.431) 21.009 8.104 ( -0.010 -18.788 -31.658) 36.813 8.612 ( -0.816 -3.621 -30.270) 30.496 9.482 ( 9.861 2.710 0.450) 10.237======================= Grid point 217 (75/147) =======================q-point: (-0.12 0.12 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 0.000 4.824 17.756) 18.400 1.304 ( 0.000 4.686 17.603) 18.216 2.138 ( 0.000 4.971 24.539) 25.037 2.189 ( -0.000 -8.108 7.406) 10.981 2.552 ( 0.000 6.428 3.828) 7.481 2.586 ( -0.000 -0.885 7.124) 7.179 2.979 ( -0.000 -1.493 4.209) 4.466 3.109 ( 0.000 0.485 8.325) 8.339 3.129 ( -0.000 -0.287 14.320) 14.323 3.376 ( 0.000 1.350 -1.617) 2.106 3.545 ( -0.000 -3.074 -7.019) 7.663 4.093 ( -0.000 -0.747 -3.280) 3.364 5.354 ( -0.000 -1.268 2.457) 2.765 5.558 ( 0.000 6.047 -0.291) 6.054 5.945 ( -0.000 -1.076 -0.104) 1.081 6.087 ( -0.000 -1.839 1.674) 2.487 6.250 ( -0.000 -7.097 0.795) 7.141 7.182 ( 0.000 10.532 22.813) 25.127 8.305 ( -0.000 -15.016 -32.452) 35.758 8.666 ( -0.000 -6.679 -37.266) 37.860 9.525 ( 0.000 4.972 -1.589) 5.220======================= Grid point 220 (76/147) =======================q-point: ( 0.25 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( 5.181 -0.000 9.439) 10.767 1.459 ( 6.265 -0.000 11.132) 12.773 2.112 ( -6.716 0.000 5.535) 8.703 2.214 ( 1.666 -0.000 17.605) 17.684 2.506 ( -0.966 0.000 7.868) 7.927 2.729 ( -1.307 0.000 6.421) 6.553 2.981 ( 3.053 -0.000 -0.748) 3.143 3.127 ( 3.683 -0.000 6.921) 7.840 3.141 ( -6.586 0.000 -5.954) 8.878 3.357 ( 5.210 -0.000 11.016) 12.186 3.500 ( -2.746 0.000 2.819) 3.936 4.023 ( -0.934 0.000 -1.809) 2.036 5.351 ( -3.636 0.000 -3.706) 5.192 5.767 ( 4.964 -0.000 -2.811) 5.704 5.969 ( 2.408 -0.000 3.950) 4.626 6.033 ( -6.275 0.000 2.396) 6.717 6.242 ( -4.117 0.000 -0.428) 4.140 7.060 ( 2.848 -0.000 5.742) 6.409 8.152 ( -15.035 0.000 -34.601) 37.727 8.824 ( 3.243 -0.000 -9.966) 10.480 8.858 ( 3.126 -0.000 -5.170) 6.042======================= Grid point 221 (77/147) =======================q-point: ( 0.38 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( 4.232 0.080 9.523) 10.421 1.564 ( 4.297 -1.944 6.507) 8.036 1.987 ( -8.061 -0.065 5.726) 9.888 2.204 ( 0.596 3.662 15.889) 16.316 2.522 ( 0.174 -2.864 7.561) 8.087 2.706 ( -1.609 -1.507 5.019) 5.482 2.947 ( -3.378 4.473 -0.377) 5.618 3.084 ( -4.515 -6.428 -3.503) 8.601 3.214 ( 5.511 0.674 3.215) 6.416 3.398 ( 2.389 4.590 9.455) 10.778 3.479 ( -0.156 -1.591 5.065) 5.311 4.017 ( 0.085 -0.156 -1.106) 1.120 5.311 ( -4.507 -4.326 -3.474) 7.148 5.824 ( 2.915 0.886 -2.149) 3.728 5.929 ( -5.149 1.143 2.287) 5.749 6.007 ( 1.977 -0.146 5.230) 5.593 6.158 ( -4.297 1.772 1.142) 4.786 7.143 ( 3.835 -4.895 -3.321) 7.050 7.921 ( -12.104 0.248 -34.922) 36.961 8.821 ( 2.913 8.247 -0.314) 8.752 9.002 ( 8.538 -6.038 0.467) 10.468======================= Grid point 222 (78/147) =======================q-point: (-0.50 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( -1.573 4.525 9.933) 11.028 1.600 ( 0.826 2.307 6.281) 6.742 1.894 ( -5.190 -4.193 5.841) 8.867 2.194 ( 2.777 1.455 15.612) 15.924 2.549 ( -0.236 -1.630 5.796) 6.026 2.729 ( 0.434 -3.805 4.057) 5.579 2.836 ( -4.163 2.729 -0.132) 4.979 3.086 ( -4.195 -5.591 0.453) 7.004 3.258 ( 2.472 3.488 5.605) 7.049 3.388 ( 2.257 1.928 4.729) 5.584 3.490 ( 0.333 1.047 3.987) 4.135 4.029 ( 0.808 -0.611 -0.867) 1.333 5.294 ( -5.340 -6.283 -1.816) 8.443 5.840 ( 0.259 4.188 -0.038) 4.196 5.858 ( -0.644 -0.794 0.707) 1.242 6.033 ( 0.242 -0.942 4.809) 4.906 6.084 ( -2.489 0.783 3.261) 4.177 7.293 ( 4.828 -8.642 -10.916) 14.736 7.762 ( -8.844 -2.010 -29.585) 30.944 8.751 ( 2.187 10.666 -0.319) 10.893 9.233 ( 10.203 -6.444 7.615) 14.269======================= Grid point 223 (79/147) =======================q-point: (-0.38 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( -4.755 7.798 11.229) 14.475 1.548 ( -0.304 7.270 9.503) 11.969 1.911 ( -2.045 -7.986 6.738) 10.647 2.242 ( 2.914 0.569 15.183) 15.471 2.559 ( 0.002 -0.778 5.349) 5.405 2.733 ( -1.821 2.916 -0.951) 3.567 2.814 ( 0.085 -5.453 8.047) 9.721 3.086 ( -1.758 -3.479 3.524) 5.255 3.230 ( 0.120 4.180 8.538) 9.507 3.414 ( 1.480 0.123 -0.222) 1.501 3.469 ( -0.262 1.666 0.354) 1.723 4.052 ( 0.734 -0.992 -1.186) 1.712 5.282 ( -4.244 -5.510 0.760) 6.996 5.778 ( -0.169 5.351 1.265) 5.502 5.884 ( 1.228 -1.245 -0.113) 1.753 6.031 ( -1.777 -1.711 2.023) 3.191 6.072 ( 0.058 -1.554 6.492) 6.675 7.465 ( 5.381 -2.283 -8.180) 10.054 7.696 ( -6.233 -11.313 -26.378) 29.371 8.661 ( 0.813 8.493 -8.701) 12.186 9.452 ( 7.503 -5.186 9.728) 13.335======================= Grid point 224 (80/147) =======================q-point: (-0.25 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.267 ( 0.000 7.839 13.767) 15.842 1.452 ( 0.000 7.817 12.442) 14.694 1.994 ( -0.000 -8.774 7.276) 11.399 2.244 ( 0.000 3.161 17.191) 17.479 2.567 ( -0.000 -0.638 6.703) 6.733 2.676 ( 0.000 4.105 0.397) 4.124 2.883 ( -0.000 -5.759 9.381) 11.007 3.107 ( -0.000 -1.608 6.045) 6.255 3.179 ( 0.000 3.956 9.644) 10.424 3.411 ( 0.000 1.608 -2.036) 2.594 3.472 ( -0.000 -2.017 -3.792) 4.295 4.071 ( -0.000 -1.090 -1.886) 2.179 5.297 ( -0.000 -3.855 2.237) 4.458 5.710 ( 0.000 6.402 0.840) 6.457 5.913 ( -0.000 -1.534 0.005) 1.534 6.037 ( -0.000 -2.195 2.297) 3.177 6.106 ( -0.000 -4.224 5.290) 6.769 7.444 ( 0.000 9.712 7.763) 12.433 7.864 ( -0.000 -21.319 -30.725) 37.397 8.599 ( 0.000 2.600 -22.159) 22.311 9.563 ( -0.000 -2.220 6.632) 6.994======================= Grid point 229 (81/147) =======================q-point: ( 0.38 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( 2.621 -0.000 7.516) 7.960 1.612 ( 3.817 -0.000 5.584) 6.764 1.845 ( -8.319 0.000 5.735) 10.104 2.224 ( -0.328 0.000 14.968) 14.972 2.528 ( 2.226 -0.000 6.591) 6.957 2.672 ( -1.080 0.000 4.281) 4.415 2.909 ( -6.937 0.000 -5.618) 8.927 2.963 ( -2.204 0.000 1.700) 2.783 3.310 ( 4.759 -0.000 2.447) 5.351 3.425 ( -1.558 0.000 5.465) 5.682 3.498 ( 2.825 -0.000 8.469) 8.928 4.022 ( 0.598 -0.000 -0.420) 0.730 5.209 ( -4.807 0.000 -2.541) 5.438 5.848 ( -0.233 0.000 0.184) 0.297 5.891 ( -0.509 0.000 0.619) 0.802 6.022 ( -0.169 0.000 4.348) 4.351 6.102 ( -3.135 0.000 5.151) 6.030 7.175 ( 3.608 -0.000 -13.354) 13.833 7.739 ( -9.724 0.000 -37.260) 38.508 8.999 ( 6.473 -0.000 16.938) 18.133 9.045 ( 6.317 -0.000 3.385) 7.167======================= Grid point 230 (82/147) =======================q-point: (-0.50 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( -2.639 6.439 8.005) 10.606 1.663 ( 3.172 0.619 6.390) 7.160 1.766 ( -4.022 -3.147 5.223) 7.305 2.227 ( 0.862 -0.974 14.792) 14.849 2.561 ( 1.788 0.977 4.503) 4.942 2.689 ( 0.307 -3.992 4.357) 5.917 2.795 ( -4.180 1.973 -3.733) 5.942 2.961 ( -2.380 -5.041 0.592) 5.606 3.338 ( 1.408 4.271 6.488) 7.894 3.418 ( 0.610 -0.944 3.686) 3.854 3.518 ( 0.769 1.867 4.817) 5.223 4.034 ( 0.557 -0.464 -0.212) 0.755 5.161 ( -3.535 -3.664 -0.557) 5.122 5.849 ( 0.597 0.359 1.360) 1.528 5.879 ( -0.125 1.158 0.283) 1.198 6.005 ( -1.726 -0.550 2.356) 2.971 6.072 ( -0.409 0.618 8.622) 8.654 7.267 ( 3.175 -6.746 -21.785) 23.026 7.616 ( -6.104 -0.971 -32.711) 33.290 8.947 ( 3.079 14.330 13.502) 19.928 9.257 ( 5.225 -11.342 15.357) 19.793======================= Grid point 231 (83/147) =======================q-point: (-0.38 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( 0.000 8.109 9.936) 12.825 1.640 ( 0.000 7.756 6.760) 10.289 1.796 ( -0.000 -8.075 6.985) 10.677 2.260 ( -0.000 -1.658 14.053) 14.150 2.563 ( 0.000 0.732 4.183) 4.246 2.740 ( 0.000 1.747 -2.462) 3.019 2.750 ( -0.000 -5.451 6.584) 8.548 3.006 ( -0.000 -6.196 0.905) 6.262 3.290 ( 0.000 5.250 8.829) 10.272 3.435 ( -0.000 -0.019 1.349) 1.349 3.491 ( 0.000 2.941 2.109) 3.619 4.047 ( -0.000 -0.876 -0.515) 1.016 5.183 ( -0.000 -5.340 1.074) 5.447 5.829 ( 0.000 3.693 1.789) 4.103 5.882 ( -0.000 -1.044 0.038) 1.045 5.998 ( -0.000 -1.081 2.454) 2.682 6.065 ( 0.000 0.060 8.200) 8.200 7.427 ( -0.000 -14.632 -27.597) 31.236 7.560 ( 0.000 1.009 -21.463) 21.487 8.804 ( 0.000 13.819 6.152) 15.127 9.426 ( -0.000 -9.407 15.676) 18.282======================= Grid point 239 (84/147) =======================q-point: (-0.50 0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 139Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( -0.000 -0.000 8.554) 8.554 1.641 ( 0.000 0.000 6.608) 6.608 1.748 ( -0.000 -0.000 3.256) 3.256 2.221 ( 0.000 0.000 15.183) 15.183 2.596 ( 0.000 0.000 4.221) 4.221 2.662 ( -0.000 -0.000 2.911) 2.911 2.763 ( -0.000 -0.000 -4.797) 4.797 2.913 ( -0.000 -0.000 0.993) 0.993 3.390 ( 0.000 0.000 5.480) 5.480 3.401 ( -0.000 -0.000 6.224) 6.224 3.538 ( -0.000 -0.000 3.592) 3.592 4.036 ( -0.000 -0.000 0.021) 0.021 5.109 ( -0.000 -0.000 0.045) 0.045 5.869 ( -0.000 -0.000 0.027) 0.027 5.873 ( -0.000 -0.000 2.107) 2.107 5.986 ( -0.000 -0.000 2.387) 2.387 6.073 ( -0.000 -0.000 9.657) 9.657 7.252 ( -0.000 -0.000 -25.659) 25.659 7.559 ( -0.000 -0.000 -33.559) 33.559 9.128 ( -0.000 -0.000 28.503) 28.503 9.165 ( 0.000 0.000 8.281) 8.281======================= Grid point 268 (85/147) =======================q-point: ( 0.00 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.444 ( 0.000 0.000 18.352) 18.352 1.631 ( 0.000 0.000 18.154) 18.154 2.489 ( 0.000 0.000 8.132) 8.132 2.542 ( 0.000 0.000 6.001) 6.001 2.564 ( 0.000 0.000 20.713) 20.713 2.684 ( 0.000 0.000 1.160) 1.160 3.001 ( 0.000 0.000 1.776) 1.776 3.224 ( 0.000 0.000 3.363) 3.363 3.370 ( 0.000 0.000 1.312) 1.312 3.414 ( 0.000 0.000 -9.093) 9.093 3.460 ( 0.000 0.000 12.912) 12.912 4.031 ( 0.000 0.000 -3.052) 3.052 5.417 ( 0.000 0.000 2.550) 2.550 5.442 ( 0.000 0.000 -3.375) 3.375 5.947 ( 0.000 0.000 -0.892) 0.892 6.116 ( 0.000 0.000 -0.917) 0.917 6.238 ( 0.000 0.000 -8.449) 8.449 7.558 ( 0.000 0.000 24.223) 24.223 7.825 ( 0.000 0.000 -31.234) 31.234 7.968 ( 0.000 0.000 -36.301) 36.301 9.369 ( 0.000 0.000 -3.857) 3.857======================= Grid point 269 (86/147) =======================q-point: ( 0.12 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( 3.908 -1.249 17.619) 18.090 1.640 ( 0.346 -1.439 17.391) 17.454 2.434 ( -0.630 5.455 8.446) 10.075 2.541 ( -1.246 1.259 15.249) 15.352 2.613 ( 3.466 -2.833 6.583) 7.961 2.687 ( -0.734 -1.623 3.692) 4.100 2.993 ( -1.644 -0.831 1.404) 2.316 3.235 ( 0.650 1.338 2.278) 2.720 3.319 ( -3.319 -2.291 -2.714) 4.861 3.435 ( -0.905 2.256 12.361) 12.597 3.468 ( 4.053 1.040 -2.843) 5.059 4.027 ( -0.531 -0.187 -2.580) 2.641 5.438 ( 1.640 -0.075 0.159) 1.650 5.458 ( -0.340 -4.098 -2.193) 4.660 5.933 ( -0.907 0.600 -0.866) 1.391 6.118 ( 0.483 0.598 -1.289) 1.501 6.236 ( 0.827 1.763 -6.582) 6.864 7.493 ( -6.020 -0.070 11.235) 12.746 7.798 ( 2.115 10.650 -27.163) 29.253 8.037 ( 6.023 -3.844 -26.077) 27.038 9.294 ( -13.224 -6.212 -4.016) 15.152======================= Grid point 270 (87/147) =======================q-point: ( 0.25 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 4.658 -2.255 14.961) 15.831 1.687 ( 2.176 -3.487 16.077) 16.594 2.358 ( -1.013 5.542 8.827) 10.471 2.488 ( -2.165 2.546 12.040) 12.495 2.680 ( -0.824 -0.335 4.382) 4.471 2.716 ( 4.732 -1.605 3.035) 5.846 2.965 ( -2.887 -0.553 1.211) 3.179 3.199 ( -1.804 0.660 -0.082) 1.923 3.341 ( -0.488 -4.158 0.456) 4.211 3.399 ( 0.609 2.603 10.308) 10.649 3.505 ( 2.614 2.071 0.067) 3.335 4.018 ( -0.845 -0.191 -1.388) 1.636 5.464 ( -0.557 -3.377 -3.303) 4.756 5.518 ( 2.109 -2.748 -1.442) 3.752 5.919 ( 0.831 1.025 -0.123) 1.325 6.111 ( -0.115 1.357 -1.864) 2.309 6.216 ( -0.276 2.882 -2.544) 3.854 7.407 ( -6.045 -2.686 -1.097) 6.705 7.661 ( 1.278 16.313 -23.393) 28.548 8.215 ( 9.193 -4.249 -14.424) 17.625 9.105 ( -20.086 -9.193 -4.853) 22.616======================= Grid point 271 (88/147) =======================q-point: ( 0.38 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( 2.603 -2.492 10.704) 11.294 1.782 ( 3.368 -3.767 15.669) 16.463 2.277 ( -1.351 4.657 9.420) 10.595 2.424 ( -2.089 1.973 11.644) 11.993 2.655 ( -0.975 0.833 -0.246) 1.306 2.808 ( 4.914 0.261 2.010) 5.315 2.913 ( -3.420 0.079 1.397) 3.695 3.184 ( -0.718 -1.342 1.591) 2.202 3.374 ( -1.196 -4.155 3.304) 5.442 3.398 ( 1.808 1.884 5.231) 5.846 3.507 ( 1.091 2.434 2.091) 3.389 4.006 ( -0.673 -0.074 -0.132) 0.690 5.495 ( -0.527 -3.230 -5.121) 6.077 5.574 ( 1.535 -1.373 -2.290) 3.080 5.945 ( 3.413 0.503 0.701) 3.520 6.083 ( -1.296 1.303 -0.865) 2.031 6.162 ( -1.930 2.793 0.743) 3.475 7.365 ( -4.870 -5.628 -11.880) 14.019 7.501 ( 1.627 14.363 -15.147) 20.938 8.420 ( 11.906 -1.511 -8.768) 14.863 8.874 ( -19.738 -7.503 -6.367) 22.055======================= Grid point 272 (89/147) =======================q-point: (-0.50 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( 0.000 -0.000 8.697) 8.697 1.840 ( 0.000 0.000 15.400) 15.400 2.232 ( 0.000 -0.000 9.782) 9.782 2.392 ( 0.000 -0.000 12.114) 12.114 2.643 ( 0.000 -0.000 -2.751) 2.751 2.859 ( 0.000 -0.000 3.798) 3.798 2.870 ( -0.000 -0.000 -0.026) 0.026 3.190 ( 0.000 -0.000 1.536) 1.536 3.392 ( -0.000 -0.000 3.238) 3.238 3.402 ( 0.000 0.000 4.891) 4.891 3.498 ( 0.000 -0.000 2.537) 2.537 4.001 ( 0.000 -0.000 0.407) 0.407 5.512 ( 0.000 0.000 -6.000) 6.000 5.595 ( 0.000 -0.000 -2.570) 2.570 5.991 ( 0.000 -0.000 -1.160) 1.160 6.051 ( 0.000 -0.000 3.343) 3.343 6.120 ( 0.000 -0.000 0.820) 0.820 7.370 ( 0.000 -0.000 -29.608) 29.608 7.416 ( 0.000 0.000 2.065) 2.065 8.613 ( 0.000 0.000 -2.262) 2.262 8.668 ( -0.000 -0.000 -11.863) 11.863======================= Grid point 278 (90/147) =======================q-point: ( 0.12 0.12 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.559 ( 5.506 -0.000 16.950) 17.822 1.635 ( 0.359 -0.000 16.117) 16.121 2.421 ( -3.997 0.000 7.781) 8.748 2.545 ( -0.185 0.000 17.158) 17.159 2.657 ( -1.284 0.000 2.139) 2.495 2.687 ( 7.061 -0.000 4.950) 8.623 2.955 ( -2.397 0.000 1.407) 2.780 3.217 ( -5.451 0.000 -5.256) 7.572 3.279 ( 1.452 -0.000 4.234) 4.476 3.439 ( 0.405 -0.000 11.597) 11.604 3.531 ( 2.599 -0.000 -1.097) 2.821 4.016 ( -0.657 0.000 -1.982) 2.088 5.381 ( -3.263 0.000 -4.564) 5.610 5.516 ( 5.071 -0.000 -1.276) 5.229 5.933 ( 0.738 -0.000 -0.345) 0.815 6.127 ( -0.106 0.000 -2.284) 2.286 6.258 ( 0.234 -0.000 -5.281) 5.286 7.349 ( -9.437 0.000 5.525) 10.936 7.922 ( 1.081 -0.000 -15.215) 15.254 8.137 ( 10.348 -0.000 -28.961) 30.755 8.981 ( -18.391 0.000 -6.075) 19.368======================= Grid point 279 (91/147) =======================q-point: ( 0.25 0.12 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 3.102 -0.077 13.718) 14.065 1.681 ( 2.892 -3.978 15.488) 16.251 2.339 ( -5.049 0.826 7.724) 9.265 2.507 ( -0.926 4.345 13.615) 14.321 2.652 ( -1.179 -1.709 3.327) 3.921 2.807 ( 6.394 0.099 3.065) 7.092 2.912 ( -2.667 0.078 0.396) 2.698 3.138 ( -4.871 -2.092 -4.153) 6.734 3.292 ( -0.911 -1.674 5.435) 5.759 3.461 ( 3.437 2.135 8.357) 9.285 3.552 ( 0.882 0.943 0.956) 1.607 4.007 ( -0.356 0.072 -0.695) 0.784 5.352 ( -3.480 -4.646 -4.693) 7.464 5.597 ( 5.077 0.769 -3.829) 6.405 5.960 ( 2.978 0.512 0.465) 3.057 6.108 ( -1.920 0.586 -1.721) 2.644 6.237 ( -0.991 2.536 -2.410) 3.636 7.221 ( -9.095 -4.351 -2.563) 10.403 7.788 ( -8.571 8.942 -15.341) 19.717 8.376 ( 14.756 -3.838 -18.343) 23.852 8.761 ( -9.241 -1.299 -6.302) 11.260======================= Grid point 280 (92/147) =======================q-point: ( 0.38 0.12 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 2.348 -1.416 10.043) 10.411 1.776 ( 2.089 -4.248 14.901) 15.635 2.243 ( -5.755 0.230 8.332) 10.129 2.440 ( -0.662 4.121 12.131) 12.829 2.645 ( -0.928 -0.366 -0.046) 0.999 2.833 ( -3.101 -0.625 4.087) 5.168 2.899 ( 1.709 1.494 -1.781) 2.886 3.126 ( -2.048 -5.426 -1.701) 6.044 3.306 ( -0.466 -2.897 4.523) 5.392 3.480 ( 2.947 4.017 7.056) 8.637 3.546 ( 0.616 2.036 2.265) 3.107 4.004 ( 0.290 0.242 0.465) 0.599 5.370 ( -3.356 -7.521 -4.195) 9.243 5.658 ( 4.347 2.119 -5.209) 7.108 6.005 ( 2.060 0.917 -0.302) 2.275 6.058 ( -2.365 0.406 2.118) 3.201 6.176 ( -1.216 3.927 0.311) 4.123 7.158 ( -7.775 -8.583 -10.713) 15.776 7.539 ( -11.733 2.451 -17.863) 21.512 8.636 ( 3.846 0.422 -7.749) 8.661 8.716 ( 14.972 4.335 -4.427) 16.203======================= Grid point 281 (93/147) =======================q-point: (-0.50 0.12 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 0.170 1.062 8.595) 8.662 1.818 ( -1.542 -0.931 14.746) 14.855 2.172 ( -4.264 -3.599 9.026) 10.612 2.412 ( 1.428 1.155 11.262) 11.410 2.639 ( -0.297 -0.617 -1.809) 1.934 2.787 ( -3.582 -1.224 1.817) 4.199 2.902 ( 0.093 -0.717 0.756) 1.046 3.163 ( -1.158 -4.250 -1.210) 4.568 3.336 ( 0.112 -2.279 4.589) 5.125 3.473 ( 1.726 3.441 6.693) 7.721 3.519 ( 0.027 3.726 2.280) 4.368 4.012 ( 0.960 0.333 0.737) 1.256 5.402 ( -3.554 -7.353 -3.035) 8.713 5.689 ( 3.952 4.237 -5.170) 7.765 5.952 ( -4.012 1.278 2.141) 4.723 6.067 ( 0.793 -0.143 0.181) 0.826 6.142 ( 1.384 1.341 2.700) 3.317 7.169 ( -5.763 -12.837 -18.089) 22.918 7.384 ( -8.597 -4.341 -20.000) 22.199 8.575 ( 2.304 11.870 1.367) 12.168 9.019 ( 22.329 4.016 -2.664) 22.843======================= Grid point 282 (94/147) =======================q-point: (-0.38 0.12 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( -3.662 3.912 11.554) 12.736 1.759 ( -3.050 2.467 14.550) 15.070 2.196 ( -1.690 -7.728 9.201) 12.134 2.450 ( 2.595 -0.909 9.658) 10.042 2.659 ( 1.127 -1.915 1.504) 2.683 2.737 ( -3.369 0.239 0.912) 3.499 2.940 ( 1.608 -3.159 0.749) 3.623 3.178 ( -1.445 -2.538 -0.342) 2.941 3.356 ( 0.230 -0.769 6.459) 6.508 3.447 ( 0.148 4.353 1.733) 4.687 3.476 ( -0.948 1.446 4.673) 4.982 4.025 ( 1.141 0.411 0.032) 1.213 5.415 ( -3.664 -5.031 -0.908) 6.290 5.683 ( 3.300 7.332 -3.278) 8.683 5.897 ( -1.558 -0.494 1.313) 2.096 6.077 ( 0.030 -1.121 -0.770) 1.361 6.166 ( 0.852 -0.940 1.992) 2.361 7.268 ( -3.254 -16.548 -21.748) 27.521 7.350 ( -4.677 -8.243 -22.091) 24.038 8.447 ( 1.977 16.616 3.998) 17.204 9.309 ( 20.331 6.999 0.155) 21.502======================= Grid point 283 (95/147) =======================q-point: (-0.25 0.12 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( -3.843 3.673 15.360) 16.254 1.692 ( -1.300 2.742 15.435) 15.731 2.269 ( -0.902 -8.285 9.105) 12.344 2.501 ( 1.702 -1.634 9.604) 9.890 2.677 ( -2.080 2.044 2.074) 3.579 2.704 ( 1.385 -0.899 6.153) 6.370 3.000 ( 1.584 -1.637 0.037) 2.278 3.194 ( -0.142 -2.792 -0.347) 2.817 3.363 ( -0.048 -0.313 6.500) 6.508 3.402 ( 0.212 2.441 1.870) 3.082 3.445 ( -1.966 0.281 3.173) 3.743 4.036 ( 0.696 0.499 -1.168) 1.449 5.406 ( -2.605 -2.731 1.469) 4.050 5.628 ( 1.617 8.810 -1.507) 9.083 5.909 ( 0.950 -1.344 -0.605) 1.753 6.093 ( -0.083 -1.463 -0.321) 1.501 6.183 ( -0.664 -2.042 -1.721) 2.752 7.381 ( -2.039 -10.646 -13.288) 17.148 7.462 ( -0.186 -16.996 -30.561) 34.969 8.263 ( -0.159 17.342 1.649) 17.421 9.492 ( 12.622 8.832 0.139) 15.406======================= Grid point 284 (96/147) =======================q-point: (-0.12 0.12 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 0.000 2.512 17.255) 17.437 1.655 ( 0.000 1.940 17.048) 17.158 2.354 ( -0.000 -7.699 8.855) 11.734 2.537 ( -0.000 -1.820 12.939) 13.067 2.627 ( 0.000 3.456 3.752) 5.101 2.711 ( 0.000 1.208 6.755) 6.863 3.018 ( 0.000 0.672 0.448) 0.808 3.219 ( -0.000 -1.108 1.718) 2.044 3.376 ( -0.000 -0.380 3.899) 3.918 3.397 ( -0.000 -0.699 -6.920) 6.955 3.421 ( -0.000 -1.194 10.915) 10.980 4.036 ( 0.000 0.437 -2.223) 2.265 5.405 ( -0.000 -1.263 2.585) 2.877 5.544 ( 0.000 7.807 -1.993) 8.058 5.934 ( -0.000 -1.031 -0.892) 1.364 6.105 ( -0.000 -0.942 -0.164) 0.956 6.202 ( -0.000 -2.548 -5.640) 6.189 7.482 ( -0.000 -8.361 -2.691) 8.784 7.651 ( -0.000 -14.322 -31.014) 34.161 8.075 ( 0.000 12.424 -9.417) 15.590 9.496 ( 0.000 8.925 -1.779) 9.101======================= Grid point 287 (97/147) =======================q-point: ( 0.25 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( 1.939 -0.000 11.903) 12.060 1.714 ( 3.574 -0.000 13.841) 14.295 2.242 ( -6.971 0.000 7.342) 10.124 2.521 ( -1.473 0.000 12.544) 12.630 2.617 ( -1.063 0.000 2.699) 2.901 2.843 ( -2.651 0.000 4.568) 5.282 2.930 ( 4.087 -0.000 -2.629) 4.860 3.017 ( -7.061 0.000 -6.087) 9.323 3.278 ( 0.626 -0.000 6.344) 6.375 3.545 ( 4.560 -0.000 7.000) 8.354 3.560 ( -0.148 0.000 2.965) 2.969 4.008 ( 0.370 -0.000 0.525) 0.642 5.268 ( -3.443 0.000 -4.379) 5.571 5.680 ( 4.458 -0.000 -5.890) 7.387 6.018 ( 3.428 -0.000 0.864) 3.535 6.063 ( -3.811 0.000 0.458) 3.839 6.236 ( -1.158 0.000 -0.083) 1.161 7.053 ( -8.111 0.000 -8.187) 11.525 7.554 ( -20.997 0.000 -21.223) 29.854 8.638 ( 20.008 -0.000 -8.187) 21.618 8.782 ( 7.855 -0.000 -2.265) 8.176======================= Grid point 288 (98/147) =======================q-point: ( 0.38 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( 2.568 -0.900 9.421) 9.806 1.772 ( 1.930 -1.613 12.616) 12.864 2.122 ( -7.989 -0.888 7.662) 11.105 2.473 ( -1.008 3.024 10.573) 11.043 2.614 ( -1.045 -1.532 1.129) 2.171 2.783 ( -3.142 1.112 2.483) 4.157 2.893 ( -4.782 0.228 -3.499) 5.930 3.013 ( -1.535 -6.512 -3.136) 7.389 3.312 ( 3.109 -0.146 4.844) 5.757 3.547 ( 0.397 2.004 5.966) 6.306 3.596 ( 2.543 2.238 5.036) 6.069 4.018 ( 0.991 0.180 1.412) 1.734 5.241 ( -3.344 -4.796 -3.297) 6.712 5.741 ( 3.760 0.816 -6.387) 7.456 5.990 ( -3.668 1.363 3.282) 5.107 6.063 ( 1.303 -0.247 0.751) 1.524 6.205 ( -0.087 2.725 3.217) 4.217 6.959 ( -6.782 -4.779 -14.678) 16.861 7.257 ( -16.554 -4.335 -27.757) 32.608 8.862 ( 12.739 10.901 3.845) 17.202 9.032 ( 20.497 -3.199 1.918) 20.833======================= Grid point 289 (99/147) =======================q-point: (-0.50 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( -0.472 2.350 8.850) 9.169 1.793 ( -0.510 0.397 12.320) 12.337 2.038 ( -5.228 -5.135 8.250) 11.034 2.448 ( 1.106 0.869 9.174) 9.281 2.614 ( -0.741 -1.563 0.450) 1.788 2.735 ( -2.074 -0.056 -1.501) 2.561 2.848 ( -2.889 -4.045 0.379) 4.985 3.052 ( -3.260 -7.021 -2.880) 8.259 3.365 ( 3.534 1.063 4.370) 5.719 3.525 ( 0.439 3.012 7.783) 8.357 3.574 ( -0.148 4.647 3.243) 5.668 4.034 ( 1.188 0.287 1.438) 1.887 5.261 ( -3.076 -7.252 -1.370) 7.996 5.788 ( 3.781 1.596 -5.364) 6.754 5.920 ( -2.063 2.439 4.407) 5.443 6.066 ( -0.603 -0.107 0.607) 0.863 6.184 ( 1.032 2.441 4.537) 5.254 6.947 ( -4.842 -10.040 -21.100) 23.863 7.125 ( -10.117 -9.448 -29.649) 32.721 8.876 ( 9.509 18.092 9.672) 22.611 9.387 ( 19.136 -0.576 7.209) 20.457======================= Grid point 290 (100/147) =======================q-point: (-0.38 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( -3.486 4.953 12.376) 13.779 1.760 ( -0.670 3.081 11.533) 11.956 2.071 ( -1.555 -8.565 8.965) 12.496 2.473 ( 1.134 -0.792 6.969) 7.105 2.646 ( 1.358 -3.150 3.521) 4.916 2.704 ( -1.640 0.156 -1.429) 2.181 2.893 ( -0.012 -6.654 0.248) 6.659 3.078 ( -2.871 -6.902 -3.291) 8.168 3.392 ( 2.268 2.711 6.181) 7.120 3.486 ( -0.543 4.253 4.749) 6.398 3.507 ( -0.740 4.146 4.444) 6.122 4.047 ( 0.781 0.403 0.720) 1.136 5.299 ( -2.144 -6.529 0.958) 6.939 5.809 ( 2.517 5.845 -1.303) 6.496 5.882 ( -0.007 -0.298 1.257) 1.292 6.064 ( -0.217 -0.907 1.309) 1.607 6.171 ( -0.120 1.304 2.919) 3.199 7.041 ( -1.668 -15.496 -26.182) 30.470 7.127 ( -5.333 -12.183 -28.646) 31.583 8.755 ( 4.694 22.845 12.312) 26.373 9.633 ( 11.661 2.624 8.072) 14.423======================= Grid point 291 (101/147) =======================q-point: (-0.25 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 0.000 4.604 14.538) 15.250 1.715 ( 0.000 3.243 13.537) 13.920 2.161 ( -0.000 -8.905 9.164) 12.778 2.496 ( -0.000 -1.545 7.116) 7.282 2.679 ( 0.000 1.038 0.049) 1.039 2.701 ( -0.000 -2.277 6.777) 7.150 2.969 ( -0.000 -5.532 -0.461) 5.551 3.132 ( -0.000 -6.399 -3.420) 7.255 3.377 ( 0.000 2.459 8.969) 9.300 3.429 ( 0.000 3.506 -0.840) 3.605 3.462 ( 0.000 3.295 6.612) 7.388 4.048 ( 0.000 0.538 -0.306) 0.619 5.344 ( -0.000 -4.454 2.312) 5.019 5.741 ( 0.000 8.301 0.497) 8.316 5.903 ( -0.000 -1.512 -0.904) 1.761 6.077 ( -0.000 -1.355 1.459) 1.991 6.160 ( -0.000 -0.319 -0.172) 0.362 7.221 ( -0.000 -12.599 -23.902) 27.019 7.240 ( -0.000 -19.249 -29.873) 35.538 8.519 ( 0.000 23.648 10.565) 25.901 9.683 ( 0.000 5.917 5.114) 7.821======================= Grid point 296 (102/147) =======================q-point: ( 0.38 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( 2.836 -0.000 8.366) 8.834 1.796 ( 1.501 -0.000 10.739) 10.843 1.981 ( -8.125 0.000 7.662) 11.168 2.470 ( -0.927 0.000 9.308) 9.354 2.596 ( -0.142 0.000 0.226) 0.267 2.746 ( -2.398 0.000 3.201) 3.999 2.781 ( -6.637 0.000 -6.926) 9.593 2.952 ( -1.992 0.000 -1.710) 2.625 3.381 ( 4.678 -0.000 3.357) 5.758 3.563 ( 0.435 -0.000 7.564) 7.577 3.636 ( 0.109 -0.000 4.466) 4.467 4.037 ( 1.135 -0.000 2.033) 2.329 5.161 ( -2.938 0.000 -2.143) 3.637 5.799 ( 2.911 -0.000 -5.059) 5.837 5.958 ( -1.201 0.000 4.754) 4.903 6.064 ( -0.741 0.000 1.095) 1.323 6.229 ( 0.851 -0.000 6.175) 6.233 6.831 ( -5.446 0.000 -19.271) 20.026 6.998 ( -11.169 0.000 -33.552) 35.362 9.155 ( 11.316 -0.000 6.444) 13.022 9.320 ( 18.823 -0.000 14.393) 23.696======================= Grid point 297 (103/147) =======================q-point: (-0.50 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( -1.403 4.255 9.744) 10.725 1.814 ( 1.591 0.865 8.736) 8.922 1.904 ( -3.556 -5.043 8.200) 10.262 2.464 ( 0.382 -0.040 8.145) 8.154 2.599 ( 0.429 -0.456 -0.309) 0.698 2.693 ( -3.220 -0.707 -5.389) 6.318 2.748 ( -1.580 -4.784 1.490) 5.254 2.939 ( -2.275 -3.718 -2.091) 4.834 3.447 ( 4.122 1.483 3.722) 5.749 3.560 ( 0.370 1.747 8.886) 9.064 3.600 ( -2.143 2.830 2.465) 4.322 4.053 ( 0.739 0.102 2.019) 2.153 5.149 ( -1.829 -4.668 -0.537) 5.042 5.842 ( 2.218 -0.340 -2.456) 3.326 5.940 ( 0.228 2.480 4.197) 4.880 6.050 ( -0.851 -0.293 2.221) 2.396 6.227 ( 0.558 2.446 6.419) 6.892 6.791 ( -3.016 -5.531 -23.730) 24.552 6.900 ( -5.529 -6.219 -34.168) 35.166 9.210 ( 6.603 14.402 11.625) 19.650 9.604 ( 10.862 -4.361 17.323) 20.907======================= Grid point 298 (104/147) =======================q-point: (-0.38 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 0.000 5.482 11.542) 12.778 1.797 ( 0.000 3.491 8.847) 9.511 1.960 ( -0.000 -8.078 9.090) 12.161 2.473 ( -0.000 -0.482 6.150) 6.169 2.630 ( -0.000 -2.836 2.995) 4.124 2.676 ( -0.000 -1.277 -3.913) 4.116 2.809 ( -0.000 -7.049 0.218) 7.052 2.972 ( -0.000 -6.079 -3.246) 6.891 3.459 ( 0.000 3.466 6.531) 7.394 3.528 ( 0.000 4.336 0.506) 4.365 3.538 ( 0.000 2.839 8.344) 8.814 4.057 ( 0.000 0.225 1.491) 1.508 5.203 ( -0.000 -6.860 0.875) 6.916 5.872 ( -0.000 -1.088 -0.959) 1.450 5.898 ( 0.000 5.057 2.811) 5.786 6.050 ( -0.000 -0.859 2.589) 2.728 6.197 ( 0.000 3.035 4.507) 5.434 6.867 ( -0.000 -11.627 -26.876) 29.283 6.951 ( -0.000 -10.068 -31.650) 33.213 9.056 ( 0.000 21.026 14.288) 25.421 9.733 ( -0.000 -1.755 14.425) 14.532======================= Grid point 306 (105/147) =======================q-point: (-0.50 0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 139Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( -0.000 -0.000 8.893) 8.893 1.816 ( -0.000 -0.000 10.310) 10.310 1.845 ( -0.000 -0.000 6.320) 6.320 2.465 ( -0.000 -0.000 8.576) 8.576 2.606 ( -0.000 -0.000 -2.403) 2.403 2.649 ( -0.000 -0.000 -6.507) 6.507 2.707 ( -0.000 -0.000 2.193) 2.193 2.900 ( -0.000 -0.000 -1.525) 1.525 3.503 ( -0.000 -0.000 4.849) 4.849 3.573 ( -0.000 -0.000 9.567) 9.567 3.587 ( -0.000 -0.000 0.318) 0.318 4.059 ( -0.000 -0.000 2.231) 2.231 5.106 ( -0.000 -0.000 -0.281) 0.281 5.859 ( -0.000 -0.000 -1.003) 1.003 5.959 ( -0.000 -0.000 4.281) 4.281 6.040 ( -0.000 -0.000 2.859) 2.859 6.248 ( -0.000 -0.000 7.699) 7.699 6.733 ( -0.000 -0.000 -24.766) 24.766 6.817 ( -0.000 -0.000 -36.003) 36.003 9.360 ( -0.000 -0.000 9.755) 9.755 9.659 ( 0.000 0.000 23.449) 23.449======================= Grid point 335 (106/147) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 0.000 0.000 13.875) 13.875 1.972 ( 0.000 0.000 15.489) 15.489 2.650 ( 0.000 0.000 -4.085) 4.085 2.659 ( 0.000 0.000 8.635) 8.635 2.674 ( 0.000 0.000 7.512) 7.512 2.894 ( 0.000 0.000 11.829) 11.829 3.047 ( 0.000 0.000 2.513) 2.513 3.223 ( 0.000 0.000 -9.696) 9.696 3.225 ( 0.000 0.000 -3.480) 3.480 3.392 ( 0.000 0.000 0.325) 0.325 3.660 ( 0.000 0.000 6.922) 6.922 3.990 ( 0.000 0.000 -0.828) 0.828 5.316 ( 0.000 0.000 -9.391) 9.391 5.468 ( 0.000 0.000 2.468) 2.468 5.926 ( 0.000 0.000 -1.038) 1.038 6.034 ( 0.000 0.000 -9.853) 9.853 6.062 ( 0.000 0.000 -4.471) 4.471 7.293 ( 0.000 0.000 -20.364) 20.364 7.409 ( 0.000 0.000 -18.517) 18.517 7.996 ( 0.000 0.000 18.654) 18.654 9.277 ( 0.000 0.000 -5.068) 5.068======================= Grid point 336 (107/147) =======================q-point: ( 0.12 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( 3.449 -0.309 13.771) 14.200 1.970 ( -0.561 -0.948 15.143) 15.183 2.604 ( -1.704 3.353 6.114) 7.178 2.639 ( 0.169 3.008 0.377) 3.036 2.713 ( 1.894 -1.798 5.330) 5.935 2.870 ( -2.428 1.529 9.146) 9.586 3.026 ( -1.645 0.635 1.896) 2.590 3.175 ( -2.320 0.861 -6.519) 6.973 3.263 ( 1.661 -2.236 -3.623) 4.570 3.445 ( 3.899 -1.226 -0.285) 4.097 3.632 ( -1.415 2.539 6.744) 7.344 3.998 ( 0.285 -0.863 -0.269) 0.947 5.329 ( -2.197 -5.198 -8.811) 10.463 5.473 ( 0.858 0.303 1.478) 1.736 5.913 ( -0.450 0.265 -0.864) 1.010 6.057 ( 0.359 0.337 -4.944) 4.968 6.078 ( 3.007 -0.935 -7.448) 8.087 7.215 ( -4.036 6.324 -19.302) 20.709 7.398 ( 7.188 11.587 -16.241) 21.206 8.075 ( 0.859 -10.796 15.471) 18.885 9.197 ( -15.254 -8.119 -5.425) 18.112======================= Grid point 337 (108/147) =======================q-point: ( 0.25 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 2.741 0.043 13.053) 13.338 1.998 ( 1.791 -2.975 14.213) 14.632 2.532 ( -1.915 3.560 7.049) 8.126 2.598 ( -0.111 3.817 1.125) 3.981 2.772 ( -1.170 1.548 3.270) 3.802 2.776 ( 0.051 1.763 3.852) 4.236 2.988 ( -1.750 1.041 1.492) 2.524 3.153 ( -1.545 -2.020 -3.417) 4.260 3.318 ( 1.828 -1.978 -3.609) 4.503 3.511 ( 2.605 0.030 0.616) 2.677 3.572 ( -1.515 2.638 5.858) 6.600 4.015 ( 0.372 -1.115 1.048) 1.575 5.358 ( -2.893 -6.836 -7.143) 10.302 5.488 ( 1.198 0.237 -1.296) 1.781 5.921 ( 1.458 -0.114 0.500) 1.546 6.059 ( 0.349 -0.018 -3.023) 3.043 6.137 ( 2.403 -0.609 -4.929) 5.517 7.055 ( -4.655 7.920 -19.078) 21.174 7.387 ( 11.770 16.774 -11.292) 23.397 8.232 ( 0.373 -13.471 10.424) 17.037 8.991 ( -23.564 -12.423 -6.404) 27.398======================= Grid point 338 (109/147) =======================q-point: ( 0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 0.783 -0.309 11.248) 11.280 2.083 ( 3.109 -3.225 13.354) 14.085 2.467 ( -1.429 2.837 8.568) 9.138 2.559 ( 0.359 2.591 0.381) 2.644 2.650 ( -4.256 3.596 2.652) 6.171 2.839 ( 3.192 0.016 0.979) 3.338 2.952 ( -0.911 1.081 2.614) 2.971 3.154 ( -1.496 -2.097 -3.539) 4.377 3.364 ( 0.790 -2.171 -4.322) 4.901 3.494 ( -0.402 3.441 2.959) 4.556 3.566 ( 0.705 -0.621 3.428) 3.554 4.031 ( 0.228 -0.706 2.326) 2.442 5.386 ( -1.801 -4.436 -5.550) 7.330 5.503 ( 0.776 -0.007 -4.189) 4.260 5.953 ( 1.610 -0.416 0.414) 1.714 6.076 ( 1.691 -0.439 0.278) 1.769 6.159 ( -0.194 0.007 -1.109) 1.125 6.908 ( -2.945 5.762 -20.214) 21.225 7.397 ( 10.154 12.877 -5.220) 17.209 8.382 ( 1.242 -10.161 3.514) 10.823 8.752 ( -20.011 -9.050 -5.984) 22.763======================= Grid point 339 (110/147) =======================q-point: (-0.50 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 0.000 -0.000 10.202) 10.202 2.134 ( 0.000 0.000 12.764) 12.764 2.434 ( 0.000 -0.000 9.972) 9.972 2.558 ( -0.000 -0.000 -4.666) 4.666 2.579 ( 0.000 -0.000 6.750) 6.750 2.864 ( 0.000 -0.000 -0.394) 0.394 2.940 ( 0.000 -0.000 4.190) 4.190 3.153 ( 0.000 -0.000 -4.309) 4.309 3.387 ( -0.000 -0.000 -5.317) 5.317 3.466 ( 0.000 0.000 2.937) 2.937 3.576 ( 0.000 -0.000 3.866) 3.866 4.038 ( 0.000 -0.000 2.847) 2.847 5.398 ( 0.000 0.000 -5.041) 5.041 5.510 ( 0.000 -0.000 -5.299) 5.299 5.969 ( 0.000 -0.000 -0.445) 0.445 6.110 ( 0.000 -0.000 2.404) 2.404 6.143 ( 0.000 -0.000 1.047) 1.047 6.848 ( 0.000 -0.000 -21.024) 21.024 7.408 ( 0.000 -0.000 -1.955) 1.955 8.484 ( 0.000 -0.000 -6.621) 6.621 8.602 ( -0.000 -0.000 0.707) 0.707======================= Grid point 345 (111/147) =======================q-point: ( 0.12 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 4.834 -0.000 14.169) 14.971 1.946 ( -1.286 0.000 14.525) 14.582 2.568 ( -3.924 0.000 4.540) 6.000 2.660 ( -0.956 0.000 0.393) 1.034 2.751 ( 4.304 -0.000 4.758) 6.416 2.837 ( -3.082 0.000 8.714) 9.243 2.996 ( -2.254 0.000 2.590) 3.434 3.105 ( -4.814 0.000 -5.542) 7.341 3.299 ( 2.962 -0.000 -2.306) 3.754 3.510 ( 4.009 -0.000 -1.417) 4.252 3.620 ( -1.645 0.000 6.245) 6.458 4.002 ( 0.843 -0.000 0.600) 1.034 5.257 ( -2.647 0.000 -7.361) 7.823 5.492 ( 1.241 -0.000 -1.062) 1.634 5.922 ( 1.503 -0.000 -0.544) 1.599 6.055 ( -0.415 0.000 -4.661) 4.680 6.136 ( 3.780 -0.000 -6.009) 7.099 7.134 ( -9.102 0.000 -16.053) 18.454 7.671 ( 16.778 -0.000 -16.737) 23.699 8.018 ( -2.038 0.000 14.774) 14.914 8.830 ( -20.837 0.000 -8.769) 22.607======================= Grid point 346 (112/147) =======================q-point: ( 0.25 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 0.560 1.621 13.192) 13.303 1.986 ( 2.381 -4.260 14.080) 14.902 2.493 ( -4.782 0.235 6.381) 7.978 2.625 ( -1.495 1.933 -1.147) 2.699 2.750 ( -4.056 3.987 6.422) 8.579 2.830 ( 3.589 -0.375 0.180) 3.613 2.960 ( -2.006 0.066 3.983) 4.460 3.052 ( -4.818 -4.779 -3.998) 7.876 3.337 ( 1.331 -0.278 -1.419) 1.965 3.563 ( 2.812 0.593 -0.017) 2.874 3.590 ( 0.162 2.604 4.336) 5.060 4.021 ( 1.205 -0.200 1.885) 2.247 5.246 ( -2.263 -4.801 -5.482) 7.631 5.512 ( 1.395 0.238 -4.263) 4.492 5.958 ( 2.798 0.478 -0.474) 2.878 6.054 ( -0.022 -1.004 -3.371) 3.517 6.184 ( 2.655 1.249 -2.603) 3.922 6.966 ( -10.253 0.349 -14.932) 18.117 7.712 ( -7.138 13.744 0.044) 15.487 8.123 ( 10.653 -12.720 -5.667) 17.533 8.636 ( -3.144 -1.196 -5.831) 6.732======================= Grid point 347 (113/147) =======================q-point: ( 0.38 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 0.546 0.286 11.205) 11.222 2.069 ( 1.089 -4.554 13.391) 14.186 2.416 ( -5.260 -1.237 8.222) 9.839 2.580 ( -1.247 1.481 -3.670) 4.149 2.633 ( -3.235 4.237 5.662) 7.776 2.857 ( -0.999 -0.403 -1.429) 1.790 2.929 ( -2.572 -0.933 4.140) 4.962 3.063 ( -1.982 -6.487 -3.828) 7.788 3.354 ( 0.432 -0.738 -0.849) 1.205 3.560 ( 1.773 4.988 0.786) 5.352 3.596 ( 2.137 1.264 3.012) 3.904 4.041 ( 1.185 0.250 2.811) 3.061 5.285 ( -1.646 -7.136 -3.864) 8.281 5.531 ( 1.656 0.788 -6.730) 6.975 5.985 ( 1.548 1.270 -1.030) 2.252 6.082 ( 0.870 -1.989 -0.005) 2.171 6.189 ( 1.355 3.304 0.702) 3.640 6.814 ( -9.187 -1.997 -16.425) 18.926 7.368 ( -22.714 -3.012 -4.089) 23.275 8.492 ( 22.408 0.704 -5.651) 23.121 8.687 ( 11.416 5.426 0.194) 12.641======================= Grid point 348 (114/147) =======================q-point: (-0.50 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 0.160 0.661 10.057) 10.080 2.103 ( -2.239 -1.735 12.646) 12.960 2.366 ( -4.270 -4.712 9.978) 11.832 2.540 ( -1.691 0.661 -2.393) 3.004 2.598 ( 1.620 -0.764 2.758) 3.289 2.822 ( -4.055 -1.281 0.859) 4.339 2.909 ( -1.671 -2.460 0.747) 3.066 3.110 ( -1.430 -5.335 -3.502) 6.540 3.375 ( 0.833 -0.826 -1.759) 2.115 3.525 ( 1.373 5.330 0.206) 5.508 3.606 ( 1.645 2.440 4.678) 5.527 4.052 ( 0.922 0.953 2.865) 3.157 5.345 ( -0.916 -6.483 -2.504) 7.010 5.547 ( 2.227 2.157 -8.072) 8.647 5.980 ( -0.094 1.768 0.449) 1.827 6.087 ( -1.765 0.542 2.019) 2.736 6.182 ( 1.980 1.878 0.974) 2.898 6.733 ( -6.656 -7.320 -19.136) 21.543 7.112 ( -19.084 -12.086 -9.888) 24.659 8.664 ( 11.343 14.007 5.965) 18.986 8.966 ( 28.289 7.809 -2.843) 29.485======================= Grid point 349 (115/147) =======================q-point: (-0.38 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( -1.546 1.499 10.924) 11.135 2.045 ( -3.909 0.917 12.993) 13.600 2.392 ( -1.925 -7.751 10.073) 12.855 2.535 ( 0.265 -1.681 -0.891) 1.921 2.678 ( 4.200 -4.049 0.884) 5.901 2.768 ( -4.104 -1.363 1.872) 4.712 2.934 ( 0.225 -3.552 -0.304) 3.572 3.129 ( -2.871 -4.156 -3.532) 6.163 3.380 ( 0.164 2.160 -3.928) 4.486 3.501 ( 1.012 1.519 2.737) 3.290 3.592 ( 0.809 3.352 5.576) 6.556 4.049 ( 0.521 1.619 2.025) 2.644 5.398 ( -0.259 -4.171 -0.936) 4.283 5.550 ( 2.857 4.740 -8.871) 10.456 5.939 ( -2.043 1.593 2.135) 3.357 6.058 ( -0.472 0.356 -1.017) 1.177 6.176 ( -0.381 2.447 -0.640) 2.558 6.778 ( -2.923 -13.866 -20.433) 24.866 7.018 ( -12.154 -15.096 -12.258) 22.932 8.621 ( 7.643 19.810 9.993) 23.468 9.299 ( 25.674 12.479 -1.125) 28.569======================= Grid point 350 (116/147) =======================q-point: (-0.25 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( -2.799 1.516 12.332) 12.736 1.994 ( -1.040 0.706 14.210) 14.266 2.462 ( -0.850 -7.951 9.862) 12.696 2.575 ( 1.087 -2.762 -0.876) 3.095 2.726 ( -2.416 -0.811 2.692) 3.706 2.803 ( 4.159 -4.176 2.455) 6.384 2.986 ( 0.971 -3.206 -0.213) 3.356 3.123 ( -2.952 -3.950 -5.008) 7.028 3.339 ( -0.269 3.908 -4.204) 5.746 3.495 ( -0.713 1.966 3.608) 4.170 3.577 ( 1.029 0.201 6.406) 6.492 4.033 ( 0.130 1.983 0.778) 2.134 5.433 ( 0.298 -1.967 0.706) 2.111 5.519 ( 1.792 7.713 -9.017) 12.000 5.905 ( -0.836 -0.382 0.205) 0.942 6.057 ( 0.555 0.435 -3.041) 3.122 6.118 ( -2.496 2.676 -3.769) 5.253 6.936 ( -0.161 -16.618 -20.216) 26.170 7.052 ( -5.937 -15.946 -13.055) 21.447 8.466 ( 3.194 21.778 12.361) 25.244 9.483 ( 15.167 14.310 -1.031) 20.878======================= Grid point 351 (117/147) =======================q-point: (-0.12 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 0.000 1.023 13.167) 13.207 1.982 ( 0.000 0.545 15.184) 15.193 2.543 ( -0.000 -6.993 9.803) 12.042 2.618 ( -0.000 -2.470 -2.069) 3.222 2.710 ( 0.000 0.304 4.666) 4.676 2.875 ( -0.000 -2.046 6.476) 6.792 3.026 ( -0.000 -1.895 1.163) 2.223 3.147 ( -0.000 -4.334 -7.516) 8.676 3.294 ( 0.000 3.544 -4.647) 5.845 3.444 ( 0.000 3.967 2.966) 4.953 3.609 ( -0.000 -3.083 6.716) 7.390 4.011 ( 0.000 1.729 -0.175) 1.737 5.432 ( 0.000 8.659 -9.629) 12.950 5.456 ( -0.000 -1.246 2.514) 2.806 5.913 ( -0.000 -1.089 -1.133) 1.571 6.053 ( 0.000 1.878 -7.079) 7.324 6.067 ( 0.000 0.424 -3.702) 3.726 7.121 ( -0.000 -14.063 -20.249) 24.653 7.184 ( -0.000 -15.263 -14.384) 20.972 8.249 ( 0.000 18.923 14.243) 23.684 9.450 ( 0.000 12.969 -2.668) 13.241======================= Grid point 354 (118/147) =======================q-point: ( 0.25 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( -0.171 0.000 12.381) 12.382 1.996 ( 1.852 -0.000 13.547) 13.673 2.398 ( -6.628 0.000 7.642) 10.116 2.602 ( -2.243 0.000 -3.988) 4.576 2.713 ( -3.912 0.000 6.197) 7.328 2.852 ( -0.956 0.000 -2.238) 2.433 2.908 ( -7.777 0.000 -4.647) 9.060 2.957 ( 0.977 -0.000 4.519) 4.623 3.350 ( 0.670 -0.000 0.462) 0.814 3.612 ( 2.822 -0.000 2.048) 3.487 3.628 ( 2.122 -0.000 1.446) 2.568 4.045 ( 1.649 -0.000 2.777) 3.230 5.183 ( -1.980 0.000 -3.836) 4.317 5.539 ( 1.848 -0.000 -7.375) 7.603 6.013 ( 3.118 -0.000 -0.926) 3.253 6.044 ( -0.086 0.000 -2.414) 2.416 6.240 ( 2.916 -0.000 0.377) 2.940 6.788 ( -10.898 0.000 -12.773) 16.790 7.320 ( -33.228 0.000 -5.634) 33.703 8.503 ( 32.765 -0.000 -5.087) 33.158 8.763 ( 13.638 -0.000 0.028) 13.638======================= Grid point 355 (119/147) =======================q-point: ( 0.38 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 0.816 0.269 10.720) 10.754 2.033 ( 0.228 -2.819 12.551) 12.866 2.289 ( -7.653 -1.694 8.618) 11.650 2.564 ( -1.814 0.578 -5.414) 5.739 2.627 ( -3.079 3.162 4.495) 6.300 2.789 ( -6.968 -1.778 -2.320) 7.557 2.840 ( -2.939 -3.031 -1.625) 4.524 2.985 ( -0.745 -3.487 1.040) 3.714 3.368 ( 1.791 0.057 0.438) 1.845 3.640 ( 1.365 3.310 -0.694) 3.647 3.652 ( 2.715 1.199 4.234) 5.171 4.069 ( 1.548 0.450 3.217) 3.598 5.183 ( -1.698 -5.240 -2.351) 5.989 5.575 ( 2.883 0.479 -9.281) 9.731 6.025 ( 0.761 2.032 -0.308) 2.191 6.073 ( 0.834 -1.648 0.349) 1.880 6.262 ( 2.079 3.943 1.966) 4.872 6.624 ( -10.581 -2.340 -13.592) 17.383 6.873 ( -24.043 -6.988 -12.538) 28.002 8.950 ( 19.388 9.215 4.326) 21.898 9.065 ( 29.892 0.299 1.152) 29.916======================= Grid point 356 (120/147) =======================q-point: (-0.50 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( 0.250 1.395 9.683) 9.786 2.042 ( -2.678 -0.992 11.555) 11.902 2.220 ( -5.026 -6.220 9.625) 12.513 2.523 ( -1.369 0.817 -3.116) 3.500 2.599 ( 0.498 -2.290 0.049) 2.344 2.716 ( -5.368 -3.175 -0.738) 6.281 2.843 ( -1.476 -3.927 -0.332) 4.209 3.005 ( -3.045 -5.146 -1.062) 6.073 3.403 ( 2.557 0.510 -1.038) 2.806 3.594 ( -0.673 4.816 -1.169) 5.001 3.670 ( 2.052 2.784 6.017) 6.940 4.082 ( 1.100 1.136 2.945) 3.343 5.240 ( -1.187 -8.135 -0.760) 8.256 5.622 ( 4.351 1.616 -10.523) 11.501 5.992 ( -2.389 2.694 1.816) 4.033 6.077 ( -0.297 0.822 0.544) 1.029 6.236 ( 0.949 3.093 -0.275) 3.247 6.529 ( -7.191 -6.999 -15.993) 18.880 6.703 ( -11.759 -11.621 -12.532) 20.746 9.062 ( 13.206 16.385 7.817) 22.449 9.512 ( 26.771 5.488 4.995) 27.781======================= Grid point 357 (121/147) =======================q-point: (-0.38 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( -2.153 2.892 10.440) 11.045 2.001 ( -1.712 0.033 11.821) 11.944 2.263 ( -1.544 -8.904 9.790) 13.324 2.521 ( 0.313 -1.589 -1.449) 2.173 2.659 ( -1.001 -5.066 -2.433) 5.708 2.703 ( 0.672 -3.966 0.788) 4.099 2.884 ( 0.014 -5.066 0.049) 5.066 3.006 ( -3.930 -5.371 -2.660) 7.168 3.422 ( 1.393 2.784 -3.519) 4.698 3.532 ( -0.699 2.727 1.621) 3.249 3.653 ( 0.958 4.197 6.921) 8.150 4.078 ( 0.509 1.784 2.125) 2.821 5.319 ( -0.581 -7.642 0.978) 7.726 5.667 ( 4.625 4.415 -12.141) 13.722 5.906 ( -3.915 0.879 -0.282) 4.023 6.074 ( 1.019 0.855 -0.649) 1.480 6.202 ( -0.714 4.232 1.252) 4.471 6.561 ( -3.034 -13.479 -18.904) 23.415 6.715 ( -4.955 -12.923 -10.840) 17.580 8.999 ( 6.672 22.502 10.350) 25.652 9.772 ( 15.230 9.744 5.588) 18.924======================= Grid point 358 (122/147) =======================q-point: (-0.25 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 0.000 2.419 11.469) 11.722 1.988 ( 0.000 0.040 13.323) 13.323 2.355 ( -0.000 -8.992 9.830) 13.322 2.553 ( -0.000 -2.742 -0.755) 2.844 2.683 ( -0.000 -2.739 0.329) 2.759 2.788 ( -0.000 -5.380 0.594) 5.413 2.948 ( -0.000 -4.937 0.275) 4.944 3.027 ( -0.000 -5.606 -5.388) 7.776 3.386 ( 0.000 4.296 -4.329) 6.099 3.511 ( 0.000 1.139 4.015) 4.174 3.611 ( 0.000 3.924 6.970) 7.998 4.059 ( 0.000 2.173 1.231) 2.498 5.389 ( -0.000 -5.192 2.185) 5.633 5.635 ( 0.000 7.883 -12.019) 14.374 5.881 ( -0.000 -1.566 -1.255) 2.007 6.079 ( 0.000 0.550 -1.727) 1.813 6.132 ( 0.000 4.925 -0.671) 4.971 6.725 ( -0.000 -17.936 -19.607) 26.573 6.830 ( -0.000 -14.360 -11.574) 18.444 8.774 ( 0.000 24.956 11.834) 27.620 9.767 ( 0.000 12.850 3.256) 13.256======================= Grid point 363 (123/147) =======================q-point: ( 0.38 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 1.381 -0.000 9.749) 9.847 2.022 ( 0.239 -0.000 11.041) 11.044 2.147 ( -7.960 0.000 8.677) 11.774 2.541 ( -1.262 0.000 -5.486) 5.629 2.604 ( -2.472 0.000 3.950) 4.660 2.639 ( -7.442 0.000 -6.957) 10.188 2.788 ( -1.662 0.000 0.735) 1.817 2.943 ( -2.045 0.000 1.828) 2.743 3.410 ( 3.128 -0.000 -0.737) 3.214 3.660 ( -1.470 0.000 -2.152) 2.606 3.703 ( 2.452 -0.000 5.879) 6.370 4.096 ( 1.264 -0.000 3.330) 3.562 5.125 ( -1.457 0.000 -1.387) 2.012 5.638 ( 4.627 -0.000 -10.483) 11.459 6.032 ( -2.140 0.000 1.439) 2.579 6.081 ( 1.016 -0.000 0.588) 1.174 6.333 ( 2.518 -0.000 4.052) 4.771 6.399 ( -11.992 0.000 -19.006) 22.473 6.560 ( -10.162 0.000 -11.227) 15.143 9.274 ( 14.281 -0.000 4.966) 15.120 9.563 ( 27.739 -0.000 9.427) 29.297======================= Grid point 364 (124/147) =======================q-point: (-0.50 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( -0.042 2.292 9.266) 9.545 2.006 ( -1.726 0.929 9.562) 9.760 2.084 ( -2.459 -5.870 9.260) 11.236 2.516 ( -0.819 1.134 -4.007) 4.244 2.554 ( -2.483 -2.841 -5.371) 6.564 2.604 ( -1.919 -4.150 -0.279) 4.580 2.786 ( -0.586 -2.708 1.992) 3.412 2.918 ( -2.263 -1.855 1.121) 3.133 3.463 ( 3.705 0.898 -2.774) 4.715 3.602 ( -3.341 2.202 -1.904) 4.431 3.725 ( 1.343 1.700 6.832) 7.167 4.108 ( 0.660 0.687 3.071) 3.216 5.140 ( -0.811 -5.608 -0.407) 5.681 5.723 ( 6.230 0.861 -11.178) 12.826 5.946 ( -6.430 1.787 -4.049) 7.806 6.089 ( 0.454 0.385 1.415) 1.535 6.280 ( 0.850 2.073 -7.240) 7.579 6.378 ( -3.170 -2.648 -7.251) 8.345 6.477 ( -4.213 -6.958 -6.874) 10.649 9.400 ( 8.091 10.264 7.162) 14.904 9.909 ( 15.492 2.384 12.259) 19.899======================= Grid point 365 (125/147) =======================q-point: (-0.38 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 0.000 3.657 9.858) 10.515 1.991 ( 0.000 0.232 10.104) 10.107 2.151 ( -0.000 -8.114 9.371) 12.396 2.510 ( -0.000 -0.652 -1.842) 1.954 2.583 ( -0.000 -5.373 -5.384) 7.607 2.652 ( -0.000 -5.741 -1.118) 5.849 2.826 ( -0.000 -4.762 2.079) 5.196 2.922 ( -0.000 -2.982 -0.479) 3.020 3.479 ( 0.000 3.492 -5.669) 6.659 3.541 ( 0.000 1.420 1.705) 2.219 3.707 ( 0.000 3.338 7.234) 7.967 4.101 ( 0.000 1.355 2.571) 2.906 5.218 ( -0.000 -8.486 0.589) 8.506 5.782 ( 0.000 4.926 -16.035) 16.775 5.848 ( -0.000 -1.142 -1.314) 1.741 6.090 ( 0.000 0.354 0.834) 0.906 6.256 ( 0.000 5.285 3.107) 6.130 6.400 ( -0.000 -9.111 -17.909) 20.094 6.548 ( -0.000 -9.962 -6.524) 11.908 9.299 ( 0.000 18.447 9.249) 20.636 9.989 ( 0.000 5.981 10.540) 12.119======================= Grid point 373 (126/147) =======================q-point: (-0.50 0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 139Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( -0.000 -0.000 8.953) 8.953 1.995 ( -0.000 -0.000 8.294) 8.294 2.026 ( -0.000 -0.000 9.526) 9.526 2.504 ( -0.000 -0.000 -7.807) 7.807 2.521 ( -0.000 -0.000 -5.693) 5.693 2.563 ( 0.000 0.000 1.825) 1.825 2.766 ( -0.000 -0.000 3.271) 3.271 2.890 ( -0.000 -0.000 1.575) 1.575 3.524 ( -0.000 -0.000 -6.678) 6.678 3.560 ( -0.000 -0.000 0.679) 0.679 3.747 ( -0.000 -0.000 7.061) 7.061 4.117 ( -0.000 -0.000 3.138) 3.138 5.099 ( -0.000 -0.000 -0.363) 0.363 5.834 ( -0.000 -0.000 -1.333) 1.333 5.846 ( -0.000 -0.000 -18.841) 18.841 6.094 ( -0.000 -0.000 2.338) 2.338 6.302 ( -0.000 -0.000 -17.086) 17.086 6.369 ( -0.000 -0.000 -3.964) 3.964 6.378 ( 0.000 0.000 5.083) 5.083 9.529 ( -0.000 -0.000 6.683) 6.683 10.051 ( -0.000 -0.000 15.129) 15.129======================= Grid point 402 (127/147) =======================q-point: ( 0.00 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 0.000 0.000 5.106) 5.106 2.233 ( 0.000 0.000 9.239) 9.239 2.545 ( 0.000 0.000 -5.188) 5.188 2.834 ( 0.000 0.000 8.607) 8.607 2.854 ( 0.000 0.000 9.912) 9.912 3.031 ( 0.000 0.000 -9.076) 9.076 3.043 ( 0.000 0.000 3.381) 3.381 3.090 ( 0.000 0.000 1.366) 1.366 3.091 ( 0.000 0.000 -8.916) 8.916 3.380 ( 0.000 0.000 -0.912) 0.912 3.745 ( 0.000 0.000 1.871) 1.871 3.990 ( 0.000 0.000 0.365) 0.365 5.125 ( 0.000 0.000 -6.647) 6.647 5.511 ( 0.000 0.000 1.482) 1.482 5.904 ( 0.000 0.000 -2.921) 2.921 5.910 ( 0.000 0.000 -0.454) 0.454 5.966 ( 0.000 0.000 -3.642) 3.642 7.028 ( 0.000 0.000 -6.166) 6.166 7.189 ( 0.000 0.000 -4.706) 4.706 8.274 ( 0.000 0.000 7.825) 7.825 9.186 ( 0.000 0.000 -3.079) 3.079======================= Grid point 403 (128/147) =======================q-point: ( 0.12 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( 3.990 0.113 5.250) 6.595 2.230 ( -0.985 -0.903 9.522) 9.615 2.530 ( -1.124 0.762 -5.541) 5.705 2.797 ( -1.394 3.758 8.242) 9.165 2.845 ( 0.080 1.335 6.875) 7.004 2.951 ( -3.935 5.545 -2.152) 7.132 3.052 ( 1.257 1.439 -0.327) 1.938 3.063 ( -1.363 -2.147 -2.163) 3.338 3.152 ( 2.804 -0.916 -5.859) 6.560 3.432 ( 2.415 -3.891 -0.714) 4.635 3.715 ( -1.600 2.595 1.872) 3.577 4.006 ( 0.999 -1.169 0.569) 1.640 5.155 ( 0.015 -4.938 -5.915) 7.705 5.500 ( -1.095 0.371 0.942) 1.492 5.907 ( 0.634 -1.252 0.504) 1.491 5.956 ( 3.776 -0.629 -3.759) 5.365 5.972 ( 0.433 -0.903 -3.020) 3.181 6.960 ( -3.057 6.746 -6.021) 9.545 7.196 ( 7.309 8.967 -4.502) 12.413 8.328 ( 0.575 -7.680 7.584) 10.809 9.097 ( -17.900 -10.290 -3.473) 20.937======================= Grid point 404 (129/147) =======================q-point: ( 0.25 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.076 ( 4.040 0.864 6.263) 7.503 2.230 ( -0.334 -1.600 7.977) 8.142 2.501 ( -0.992 0.732 -4.804) 4.960 2.717 ( -2.635 4.019 5.762) 7.504 2.815 ( -1.433 6.222 0.746) 6.428 2.845 ( -0.684 0.844 2.813) 3.016 3.035 ( 0.397 2.031 3.294) 3.890 3.085 ( -0.581 -1.999 -2.515) 3.265 3.197 ( 1.811 -0.353 -7.239) 7.471 3.512 ( 2.013 -2.401 -0.303) 3.148 3.648 ( -2.339 2.553 1.837) 3.920 4.042 ( 1.317 -1.520 1.030) 2.260 5.226 ( -0.107 -6.791 -4.315) 8.047 5.470 ( -1.637 0.804 -0.452) 1.879 5.943 ( 1.234 -1.194 1.647) 2.380 6.003 ( 1.261 -3.501 -2.357) 4.405 6.044 ( 5.252 -0.713 -3.149) 6.165 6.801 ( -3.920 9.719 -6.012) 12.081 7.230 ( 14.550 15.627 -3.881) 21.702 8.440 ( -0.556 -10.432 7.621) 12.931 8.864 ( -28.800 -16.833 -5.099) 33.746======================= Grid point 405 (130/147) =======================q-point: ( 0.38 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( 0.883 1.003 8.142) 8.250 2.255 ( 0.738 -1.068 1.950) 2.342 2.496 ( 0.725 -0.536 -0.860) 1.246 2.632 ( -2.618 2.620 3.573) 5.146 2.728 ( -0.801 4.471 4.088) 6.111 2.846 ( 0.469 0.125 -0.367) 0.608 3.028 ( 2.181 2.567 4.281) 5.447 3.080 ( -2.865 -2.179 -1.693) 3.978 3.220 ( 0.886 -0.078 -8.644) 8.690 3.524 ( -0.365 2.264 0.434) 2.334 3.618 ( -0.433 -1.432 1.380) 2.035 4.076 ( 0.862 -0.989 1.465) 1.966 5.294 ( -0.218 -4.994 -2.825) 5.742 5.436 ( -1.067 1.003 -1.931) 2.423 5.965 ( 0.431 -0.469 0.539) 0.835 6.086 ( 2.214 -4.701 0.449) 5.216 6.128 ( 3.346 -0.795 -1.444) 3.730 6.636 ( -2.727 8.359 -6.617) 11.004 7.309 ( 16.542 15.280 -2.533) 22.662 8.492 ( -14.306 -13.536 6.175) 20.640 8.630 ( -12.867 -9.399 -6.006) 17.029======================= Grid point 406 (131/147) =======================q-point: (-0.50 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.100 ( 0.000 -0.000 8.404) 8.404 2.266 ( 0.000 -0.000 -1.297) 1.297 2.515 ( 0.000 -0.000 1.263) 1.263 2.590 ( 0.000 -0.000 3.999) 3.999 2.693 ( 0.000 -0.000 5.203) 5.203 2.850 ( 0.000 -0.000 -1.296) 1.296 3.044 ( -0.000 -0.000 6.688) 6.688 3.054 ( 0.000 0.000 -4.058) 4.058 3.228 ( 0.000 -0.000 -9.325) 9.325 3.500 ( 0.000 -0.000 0.725) 0.725 3.627 ( 0.000 -0.000 1.229) 1.229 4.089 ( 0.000 -0.000 1.637) 1.637 5.323 ( 0.000 -0.000 -2.031) 2.031 5.419 ( 0.000 -0.000 -2.767) 2.767 5.971 ( 0.000 -0.000 0.286) 0.286 6.144 ( 0.000 -0.000 0.941) 0.941 6.157 ( 0.000 -0.000 0.397) 0.397 6.557 ( 0.000 -0.000 -7.457) 7.457 7.370 ( 0.000 -0.000 -1.277) 1.277 8.397 ( 0.000 -0.000 -2.133) 2.133 8.620 ( -0.000 -0.000 0.636) 0.636======================= Grid point 412 (132/147) =======================q-point: ( 0.12 0.12 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.092 ( 5.588 -0.000 5.856) 8.094 2.201 ( -1.690 0.000 9.696) 9.842 2.508 ( -1.930 0.000 -5.937) 6.243 2.767 ( -4.504 0.000 5.746) 7.301 2.842 ( -0.980 0.000 4.064) 4.180 2.934 ( -4.287 0.000 0.748) 4.351 3.005 ( -1.973 0.000 -3.905) 4.375 3.064 ( 0.097 -0.000 4.369) 4.370 3.204 ( 3.258 -0.000 -5.931) 6.767 3.474 ( 4.654 -0.000 -1.518) 4.896 3.697 ( -2.456 0.000 1.730) 3.004 4.024 ( 1.903 -0.000 0.939) 2.123 5.127 ( 0.136 -0.000 -4.127) 4.129 5.477 ( -1.927 0.000 -0.407) 1.970 5.915 ( 1.643 -0.000 -0.097) 1.646 5.968 ( 0.258 -0.000 -2.866) 2.878 6.046 ( 6.396 -0.000 -2.478) 6.859 6.911 ( -7.041 0.000 -5.454) 8.906 7.458 ( 18.348 -0.000 -4.917) 18.995 8.309 ( -0.858 0.000 12.153) 12.183 8.638 ( -26.713 0.000 -9.410) 28.322======================= Grid point 413 (133/147) =======================q-point: ( 0.25 0.12 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.143 ( 1.181 2.410 8.946) 9.340 2.205 ( 1.011 -2.837 6.242) 6.931 2.478 ( -1.742 -0.628 -5.092) 5.418 2.673 ( -5.601 1.007 4.077) 7.001 2.814 ( -3.485 0.373 0.762) 3.587 2.846 ( -1.851 2.825 0.787) 3.468 2.980 ( -5.121 -4.430 -2.690) 7.286 3.065 ( 0.250 0.420 5.963) 5.983 3.249 ( 2.969 1.151 -6.108) 6.888 3.555 ( 4.534 0.035 -0.462) 4.558 3.643 ( -2.062 2.420 1.141) 3.377 4.060 ( 2.083 -0.340 1.356) 2.509 5.158 ( 0.032 -4.722 -2.604) 5.392 5.444 ( -1.808 0.015 -1.997) 2.694 5.954 ( 1.847 -0.539 0.459) 1.978 5.987 ( 1.165 -2.193 -2.815) 3.754 6.146 ( 5.958 0.956 -1.012) 6.118 6.764 ( -8.359 2.514 -4.835) 9.978 7.683 ( 8.080 17.190 -1.663) 19.067 8.107 ( -16.538 -18.274 1.318) 24.681 8.544 ( 8.030 -0.370 -2.752) 8.496======================= Grid point 414 (134/147) =======================q-point: ( 0.38 0.12 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( -0.241 1.569 9.603) 9.734 2.245 ( 0.082 -1.627 1.162) 2.001 2.476 ( -0.826 -2.532 -1.024) 2.853 2.582 ( -4.802 -0.556 4.048) 6.305 2.724 ( -4.395 2.076 3.612) 6.056 2.817 ( -2.408 -1.862 -3.081) 4.331 2.945 ( -5.919 -5.749 -2.509) 8.624 3.065 ( 0.106 -0.073 4.709) 4.711 3.274 ( 2.823 2.562 -5.598) 6.773 3.562 ( -0.229 4.203 -0.106) 4.211 3.636 ( 3.217 0.545 0.943) 3.396 4.092 ( 1.540 0.200 1.614) 2.240 5.227 ( 0.168 -6.695 -1.613) 6.889 5.423 ( -0.791 0.007 -3.176) 3.273 5.974 ( 0.903 0.314 -0.036) 0.957 6.061 ( 2.383 -4.616 -1.389) 5.378 6.199 ( 2.924 3.010 0.280) 4.206 6.603 ( -7.527 2.427 -4.672) 9.186 7.311 ( -29.767 -4.129 -1.575) 30.094 8.416 ( 29.091 1.307 -1.879) 29.181 8.697 ( 12.590 5.085 0.438) 13.585======================= Grid point 415 (135/147) =======================q-point: (-0.50 0.12 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.103 ( -0.454 1.031 8.295) 8.371 2.251 ( -1.052 -1.162 0.021) 1.568 2.486 ( -1.994 -1.640 0.084) 2.583 2.547 ( -2.506 -4.559 6.164) 8.066 2.650 ( -3.440 -1.826 1.979) 4.368 2.801 ( -3.267 -3.476 -2.763) 5.513 2.933 ( -3.206 -5.333 0.532) 6.245 3.069 ( -0.985 -1.544 0.803) 2.000 3.280 ( 2.100 3.564 -5.672) 7.020 3.523 ( 0.530 2.402 -0.229) 2.470 3.671 ( 2.915 2.506 1.646) 4.181 4.102 ( 0.665 1.183 1.583) 2.085 5.307 ( 0.977 -5.048 -1.138) 5.266 5.415 ( -0.093 0.235 -3.823) 3.831 5.979 ( 0.360 0.779 -0.223) 0.887 6.133 ( -1.173 0.079 2.275) 2.561 6.175 ( 0.410 0.940 -1.590) 1.892 6.482 ( -5.830 -1.890 -5.723) 8.385 6.975 ( -23.079 -13.835 -3.506) 27.135 8.778 ( 14.550 12.685 4.628) 19.850 8.903 ( 32.641 10.977 -3.143) 34.580======================= Grid point 416 (136/147) =======================q-point: (-0.38 0.12 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( -2.594 0.712 6.124) 6.689 2.242 ( -0.993 -0.732 5.534) 5.670 2.471 ( -0.985 -1.788 -2.694) 3.380 2.588 ( -1.494 -7.043 6.947) 10.005 2.670 ( -0.027 -5.952 -1.179) 6.068 2.795 ( -2.442 -3.894 -0.162) 4.599 2.959 ( -0.783 -4.348 2.836) 5.249 3.063 ( -2.566 -2.349 -2.331) 4.188 3.259 ( 0.783 3.931 -6.067) 7.272 3.526 ( 1.112 -0.097 0.183) 1.131 3.673 ( 2.048 3.830 2.170) 4.855 4.087 ( -0.129 2.156 1.254) 2.498 5.351 ( 1.470 2.255 -3.531) 4.440 5.425 ( 0.269 -2.725 -1.795) 3.274 5.960 ( -2.119 0.753 0.021) 2.249 6.042 ( -4.199 1.321 -0.374) 4.418 6.160 ( -0.274 6.133 -0.541) 6.162 6.507 ( -1.670 -13.118 -6.420) 14.700 6.866 ( -11.894 -14.949 -3.347) 19.394 8.778 ( 8.411 17.870 4.547) 20.267 9.273 ( 30.040 16.771 -1.049) 34.421======================= Grid point 417 (137/147) =======================q-point: (-0.25 0.12 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( -3.396 0.477 4.862) 5.950 2.244 ( 0.355 -0.266 9.748) 9.758 2.496 ( 0.634 -2.145 -5.576) 6.008 2.654 ( -1.026 -8.052 7.967) 11.374 2.753 ( -0.105 -6.616 -1.469) 6.778 2.832 ( 1.632 -5.015 1.424) 5.463 2.995 ( -0.527 -2.809 1.299) 3.139 3.043 ( -2.843 -2.768 -2.398) 4.636 3.220 ( 0.075 3.920 -5.987) 7.156 3.532 ( 0.189 2.306 0.439) 2.355 3.667 ( 1.396 0.963 2.357) 2.904 4.053 ( -0.436 2.672 0.793) 2.821 5.311 ( 0.554 6.707 -6.500) 9.357 5.471 ( 0.750 -2.711 0.790) 2.921 5.906 ( -3.328 -0.960 -0.212) 3.470 5.998 ( -0.321 1.430 -2.206) 2.649 6.059 ( -1.312 7.419 -1.431) 7.669 6.678 ( 0.480 -16.207 -5.821) 17.227 6.899 ( -5.257 -14.188 -3.131) 15.451 8.655 ( 3.521 19.594 5.272) 20.594 9.460 ( 17.299 18.427 -0.838) 25.289======================= Grid point 418 (138/147) =======================q-point: (-0.12 0.12 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( 0.000 0.203 4.843) 4.847 2.248 ( 0.000 0.571 10.085) 10.102 2.525 ( -0.000 -1.637 -5.785) 6.013 2.737 ( -0.000 -7.323 8.688) 11.363 2.810 ( -0.000 -4.119 3.597) 5.468 2.939 ( -0.000 -7.073 0.939) 7.135 2.995 ( -0.000 -1.246 -5.792) 5.924 3.058 ( -0.000 -2.759 1.114) 2.976 3.172 ( 0.000 4.412 -6.204) 7.613 3.479 ( 0.000 5.981 0.551) 6.007 3.695 ( -0.000 -2.825 2.021) 3.473 4.019 ( 0.000 2.325 0.495) 2.377 5.230 ( 0.000 7.451 -7.051) 10.259 5.501 ( -0.000 -1.235 1.507) 1.949 5.892 ( -0.000 -1.306 -0.760) 1.511 5.969 ( 0.000 5.584 -1.630) 5.817 5.982 ( 0.000 1.241 -3.254) 3.482 6.861 ( -0.000 -13.633 -5.934) 14.868 7.012 ( -0.000 -12.838 -3.637) 13.343 8.469 ( 0.000 16.059 6.216) 17.220 9.401 ( 0.000 16.279 -1.623) 16.360======================= Grid point 421 (139/147) =======================q-point: ( 0.25 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( -1.344 0.000 9.267) 9.364 2.218 ( 1.463 -0.000 6.981) 7.133 2.440 ( -2.042 0.000 -5.635) 5.994 2.574 ( -6.761 0.000 3.929) 7.820 2.750 ( -4.163 0.000 -1.184) 4.329 2.824 ( -9.305 0.000 -3.370) 9.897 2.836 ( -1.926 0.000 0.400) 1.967 3.063 ( -0.778 0.000 4.950) 5.010 3.307 ( 3.145 -0.000 -3.444) 4.664 3.629 ( -1.436 0.000 -0.551) 1.538 3.639 ( 5.178 -0.000 0.663) 5.221 4.095 ( 2.161 -0.000 1.591) 2.683 5.126 ( -0.369 0.000 -1.551) 1.594 5.422 ( -0.721 0.000 -3.412) 3.488 5.987 ( 0.911 -0.000 -2.135) 2.321 5.996 ( 3.037 -0.000 -0.545) 3.086 6.246 ( 5.313 -0.000 0.179) 5.316 6.632 ( -8.569 0.000 -3.193) 9.145 7.248 ( -41.462 0.000 -1.814) 41.502 8.435 ( 39.334 -0.000 -1.692) 39.371 8.769 ( 16.757 -0.000 0.304) 16.760======================= Grid point 422 (140/147) =======================q-point: ( 0.38 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.128 ( -0.406 0.553 9.190) 9.216 2.225 ( -0.913 -0.448 4.104) 4.228 2.422 ( -2.135 -2.688 -1.531) 3.759 2.473 ( -6.230 -1.450 3.547) 7.314 2.644 ( -7.970 1.114 -2.098) 8.316 2.713 ( -5.461 -3.672 -3.846) 7.622 2.826 ( -1.598 -2.810 0.030) 3.233 3.045 ( -1.512 -0.456 3.495) 3.835 3.341 ( 1.910 1.472 -2.185) 3.254 3.593 ( -0.919 2.438 -2.314) 3.485 3.714 ( 4.425 1.015 1.609) 4.816 4.124 ( 1.594 0.537 1.648) 2.355 5.151 ( -0.476 -5.488 -0.851) 5.574 5.423 ( 0.815 0.158 -4.484) 4.560 5.998 ( 0.956 0.749 -1.616) 2.021 6.062 ( 2.765 -2.614 -0.733) 3.875 6.283 ( 0.692 5.889 0.451) 5.947 6.498 ( -7.293 0.771 -0.885) 7.387 6.696 ( -28.467 -8.915 -5.033) 30.252 9.020 ( 19.914 6.680 2.258) 21.125 9.074 ( 37.399 3.453 -0.157) 37.559======================= Grid point 423 (141/147) =======================q-point: (-0.50 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 418Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( -1.115 2.069 7.611) 7.966 2.209 ( -1.936 -1.541 3.231) 4.070 2.408 ( -5.350 -5.700 7.581) 10.890 2.436 ( -1.298 -3.075 -2.234) 4.016 2.550 ( -4.819 -4.188 -4.880) 8.036 2.687 ( -3.656 -4.565 -2.099) 6.214 2.852 ( -0.234 -4.154 0.812) 4.239 3.025 ( -1.939 -0.846 2.507) 3.280 3.336 ( 0.231 2.369 -4.136) 4.772 3.553 ( -0.377 2.083 -1.781) 2.767 3.754 ( 3.106 2.683 2.199) 4.657 4.132 ( 0.790 1.517 1.487) 2.266 5.230 ( -0.101 -8.719 -0.228) 8.723 5.436 ( 1.506 1.229 -5.801) 6.118 5.986 ( -2.429 1.322 -1.350) 3.077 6.091 ( -6.081 2.474 0.710) 6.603 6.167 ( 0.592 -3.713 -3.590) 5.198 6.393 ( -4.266 2.319 -0.820) 4.924 6.563 ( -6.982 -10.983 -2.680) 13.288 9.171 ( 13.968 14.062 2.773) 20.014 9.582 ( 31.622 9.445 1.811) 33.052======================= Grid point 424 (142/147) =======================q-point: (-0.38 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( -2.977 2.381 4.585) 5.962 2.213 ( -0.296 -2.131 8.433) 8.703 2.428 ( -0.495 -5.459 0.569) 5.511 2.462 ( -2.042 -6.222 2.014) 6.851 2.576 ( -1.460 -8.186 -5.107) 9.759 2.702 ( -1.522 -5.698 -0.877) 5.963 2.907 ( 0.514 -4.593 1.534) 4.870 3.001 ( -2.184 -0.748 1.975) 3.038 3.301 ( -0.396 2.901 -6.280) 6.929 3.541 ( 0.365 0.229 -0.315) 0.534 3.752 ( 1.524 4.193 2.582) 5.154 4.116 ( 0.162 2.488 1.160) 2.750 5.335 ( 0.433 -8.447 0.466) 8.471 5.433 ( 0.897 3.083 -7.538) 8.193 5.887 ( -5.453 -0.532 -0.952) 5.561 6.032 ( -0.016 1.501 -2.437) 2.862 6.231 ( 1.269 4.092 0.896) 4.377 6.338 ( -2.360 -8.684 -3.943) 9.825 6.614 ( -2.393 -9.918 -1.456) 10.306 9.143 ( 7.076 20.503 3.636) 21.993 9.851 ( 17.536 14.250 2.063) 22.690======================= Grid point 425 (143/147) =======================q-point: (-0.25 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 237Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 0.000 1.409 4.296) 4.521 2.235 ( -0.000 -1.662 10.353) 10.486 2.474 ( -0.000 -2.615 -6.271) 6.795 2.537 ( -0.000 -9.575 7.659) 12.261 2.664 ( -0.000 -8.261 -3.335) 8.909 2.769 ( -0.000 -7.224 -0.937) 7.284 2.969 ( -0.000 -4.722 0.786) 4.787 2.980 ( -0.000 -0.182 1.373) 1.385 3.263 ( 0.000 3.336 -6.205) 7.045 3.547 ( -0.000 -0.086 0.278) 0.291 3.713 ( 0.000 4.352 2.707) 5.125 4.084 ( 0.000 3.005 0.850) 3.122 5.389 ( 0.000 5.479 -8.167) 9.834 5.426 ( -0.000 -6.000 1.232) 6.125 5.857 ( -0.000 -1.623 -0.879) 1.846 6.016 ( 0.000 1.575 -3.027) 3.412 6.144 ( 0.000 8.713 0.831) 8.752 6.486 ( -0.000 -16.375 -4.849) 17.078 6.714 ( -0.000 -11.508 -1.935) 11.670 8.943 ( 0.000 23.063 4.392) 23.477 9.812 ( 0.000 17.380 1.132) 17.417======================= Grid point 430 (144/147) =======================q-point: ( 0.38 0.38 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.129 ( 0.328 -0.000 7.978) 7.985 2.203 ( -1.744 0.000 5.706) 5.967 2.319 ( -7.343 0.000 7.552) 10.533 2.404 ( -1.729 0.000 -6.199) 6.436 2.497 ( -8.373 0.000 -7.242) 11.071 2.628 ( -3.005 0.000 -0.707) 3.087 2.800 ( 0.025 -0.000 0.653) 0.653 3.017 ( -1.580 0.000 4.034) 4.332 3.363 ( -0.105 0.000 -2.881) 2.883 3.585 ( -1.661 0.000 -3.412) 3.795 3.786 ( 3.456 -0.000 2.153) 4.072 4.150 ( 1.108 -0.000 1.585) 1.934 5.106 ( -0.669 0.000 -0.473) 0.819 5.450 ( 2.120 -0.000 -5.920) 6.288 6.005 ( -2.054 0.000 -2.463) 3.207 6.089 ( 2.291 -0.000 0.199) 2.300 6.181 ( -17.823 0.000 -3.947) 18.255 6.389 ( 3.389 -0.000 1.406) 3.669 6.447 ( -3.878 0.000 -1.604) 4.197 9.344 ( 15.594 -0.000 1.791) 15.696 9.692 ( 32.379 -0.000 3.262) 32.543======================= Grid point 431 (145/147) =======================q-point: (-0.50 0.38 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 416Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( -1.667 3.642 6.284) 7.452 2.169 ( -0.775 -0.941 5.701) 5.830 2.256 ( -3.800 -6.291 7.693) 10.640 2.394 ( -1.184 -2.721 -6.112) 6.794 2.420 ( -3.506 -3.311 -7.202) 8.667 2.603 ( -1.724 -2.417 -0.462) 3.004 2.821 ( 0.680 -2.206 1.185) 2.595 2.994 ( -1.309 -0.058 5.116) 5.281 3.347 ( -0.776 1.029 -6.659) 6.782 3.555 ( -1.068 0.592 -1.812) 2.185 3.821 ( 1.807 1.552 2.453) 3.419 4.157 ( 0.485 0.988 1.445) 1.816 5.134 ( -0.377 -6.165 -0.161) 6.179 5.480 ( 1.904 0.974 -8.134) 8.411 5.882 ( -8.030 0.015 -1.621) 8.192 6.064 ( -0.266 1.164 -4.002) 4.176 6.138 ( 1.149 -3.348 -0.809) 3.631 6.387 ( -1.397 3.035 1.525) 3.673 6.456 ( 0.974 -3.744 0.678) 3.928 9.497 ( 8.712 8.606 2.409) 12.481 10.078 ( 17.936 5.139 4.343) 19.156======================= Grid point 432 (146/147) =======================q-point: (-0.38 0.38 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 236Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( 0.000 3.631 4.249) 5.589 2.187 ( -0.000 -2.064 8.474) 8.722 2.318 ( -0.000 -8.869 7.144) 11.388 2.417 ( -0.000 -2.014 -6.173) 6.493 2.459 ( -0.000 -8.515 -6.616) 10.783 2.629 ( -0.000 -4.526 -0.639) 4.571 2.863 ( -0.000 -3.845 1.072) 3.992 2.981 ( 0.000 0.110 5.171) 5.172 3.323 ( 0.000 1.877 -7.860) 8.081 3.544 ( 0.000 0.112 -0.618) 0.628 3.808 ( 0.000 3.119 2.618) 4.073 4.144 ( 0.000 1.970 1.263) 2.340 5.226 ( -0.000 -9.739 0.226) 9.741 5.477 ( 0.000 2.413 -9.335) 9.641 5.824 ( -0.000 -1.121 -0.820) 1.389 6.050 ( 0.000 1.354 -3.556) 3.805 6.208 ( -0.000 -7.232 -2.186) 7.555 6.322 ( 0.000 5.958 2.207) 6.354 6.515 ( -0.000 -5.710 0.139) 5.711 9.422 ( 0.000 16.398 3.039) 16.677 10.138 ( 0.000 10.156 3.877) 10.871======================= Grid point 440 (147/147) =======================q-point: (-0.50 0.50 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 7.40e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 139Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 0.000 0.000 8.338) 8.338 2.160 ( -0.000 -0.000 7.138) 7.138 2.161 ( -0.000 -0.000 3.390) 3.390 2.341 ( -0.000 -0.000 -8.021) 8.021 2.393 ( -0.000 -0.000 -6.155) 6.155 2.575 ( -0.000 -0.000 0.018) 0.018 2.815 ( -0.000 -0.000 1.354) 1.354 2.982 ( -0.000 -0.000 6.399) 6.399 3.346 ( -0.000 -0.000 -8.924) 8.924 3.547 ( -0.000 -0.000 -1.093) 1.093 3.845 ( -0.000 -0.000 2.509) 2.509 4.167 ( -0.000 -0.000 1.443) 1.443 5.093 ( -0.000 -0.000 -0.160) 0.160 5.505 ( -0.000 -0.000 -9.933) 9.933 5.811 ( -0.000 -0.000 -0.773) 0.773 6.071 ( 0.000 0.000 -5.650) 5.650 6.128 ( -0.000 -0.000 0.900) 0.900 6.395 ( -0.000 -0.000 1.991) 1.991 6.448 ( -0.000 -0.000 1.786) 1.786 9.621 ( -0.000 -0.000 2.335) 2.335 10.257 ( -0.000 -0.000 5.207) 5.207=================== 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 3/17472 10.0 228.301 234.036 212.954 0.000 0.000 -0.000 3/17472 20.0 54.077 59.486 98.749 0.000 0.000 -0.000 3/17472 30.0 23.483 26.829 57.719 0.000 0.000 -0.000 3/17472 40.0 12.748 14.673 37.092 0.000 0.000 -0.000 3/17472 50.0 7.876 9.061 25.177 0.000 0.000 -0.000 3/17472 60.0 5.368 6.169 18.073 0.000 0.000 -0.000 3/17472 70.0 3.947 4.532 13.682 0.000 0.000 -0.000 3/17472 80.0 3.075 3.528 10.837 0.000 0.000 -0.000 3/17472 90.0 2.503 2.869 8.905 0.000 0.000 -0.000 3/17472 100.0 2.106 2.412 7.531 0.000 0.000 -0.000 3/17472 110.0 1.817 2.080 6.517 0.000 0.000 -0.000 3/17472 120.0 1.599 1.829 5.743 0.000 0.000 -0.000 3/17472 130.0 1.429 1.634 5.135 0.000 0.000 -0.000 3/17472 140.0 1.294 1.478 4.645 0.000 0.000 -0.000 3/17472 150.0 1.183 1.350 4.244 0.000 0.000 0.000 3/17472 160.0 1.090 1.243 3.908 0.000 0.000 0.000 3/17472 170.0 1.012 1.153 3.624 0.000 0.000 0.000 3/17472 180.0 0.944 1.076 3.379 0.000 0.000 0.000 3/17472 190.0 0.886 1.009 3.167 0.000 0.000 0.000 3/17472 200.0 0.834 0.950 2.981 0.000 0.000 0.000 3/17472 210.0 0.789 0.898 2.817 0.000 0.000 0.000 3/17472 220.0 0.749 0.851 2.670 0.000 0.000 0.000 3/17472 230.0 0.712 0.810 2.539 0.000 0.000 0.000 3/17472 240.0 0.679 0.772 2.420 0.000 0.000 0.000 3/17472 250.0 0.650 0.738 2.312 0.000 0.000 0.000 3/17472 260.0 0.622 0.707 2.214 0.000 0.000 0.000 3/17472 270.0 0.597 0.679 2.124 0.000 0.000 0.000 3/17472 280.0 0.574 0.652 2.041 0.000 0.000 0.000 3/17472 290.0 0.553 0.628 1.965 0.000 0.000 0.000 3/17472 300.0 0.534 0.606 1.895 0.000 0.000 0.000 3/17472 310.0 0.515 0.585 1.829 0.000 0.000 0.000 3/17472 320.0 0.498 0.566 1.768 0.000 0.000 0.000 3/17472 330.0 0.482 0.547 1.711 0.000 0.000 0.000 3/17472 340.0 0.468 0.530 1.658 0.000 0.000 0.000 3/17472 350.0 0.454 0.515 1.608 0.000 0.000 0.000 3/17472 360.0 0.440 0.500 1.561 0.000 0.000 0.000 3/17472 370.0 0.428 0.485 1.516 0.000 0.000 0.000 3/17472 380.0 0.416 0.472 1.475 0.000 0.000 0.000 3/17472 390.0 0.405 0.460 1.435 0.000 0.000 0.000 3/17472 400.0 0.395 0.448 1.398 0.000 0.000 0.000 3/17472 410.0 0.385 0.436 1.362 0.000 0.000 0.000 3/17472 420.0 0.375 0.426 1.328 0.000 0.000 0.000 3/17472 430.0 0.366 0.415 1.296 0.000 0.000 0.000 3/17472 440.0 0.358 0.406 1.266 0.000 0.000 0.000 3/17472 450.0 0.350 0.396 1.237 0.000 0.000 0.000 3/17472 460.0 0.342 0.387 1.209 0.000 0.000 0.000 3/17472 470.0 0.334 0.379 1.183 0.000 0.000 0.000 3/17472 480.0 0.327 0.371 1.157 0.000 0.000 0.000 3/17472 490.0 0.321 0.363 1.133 0.000 0.000 0.000 3/17472 500.0 0.314 0.356 1.110 0.000 0.000 0.000 3/17472 510.0 0.308 0.349 1.087 0.000 0.000 0.000 3/17472 520.0 0.302 0.342 1.066 0.000 0.000 0.000 3/17472 530.0 0.296 0.335 1.045 0.000 0.000 0.000 3/17472 540.0 0.290 0.329 1.026 0.000 0.000 0.000 3/17472 550.0 0.285 0.323 1.007 0.000 0.000 0.000 3/17472 560.0 0.280 0.317 0.988 0.000 0.000 0.000 3/17472 570.0 0.275 0.311 0.971 0.000 0.000 0.000 3/17472 580.0 0.270 0.306 0.954 0.000 0.000 0.000 3/17472 590.0 0.265 0.301 0.937 0.000 0.000 0.000 3/17472 600.0 0.261 0.295 0.921 0.000 0.000 0.000 3/17472 610.0 0.257 0.291 0.906 0.000 0.000 0.000 3/17472 620.0 0.252 0.286 0.891 0.000 0.000 0.000 3/17472 630.0 0.248 0.281 0.877 0.000 0.000 0.000 3/17472 640.0 0.244 0.277 0.863 0.000 0.000 0.000 3/17472 650.0 0.241 0.272 0.849 0.000 0.000 0.000 3/17472 660.0 0.237 0.268 0.836 0.000 0.000 0.000 3/17472 670.0 0.233 0.264 0.823 0.000 0.000 0.000 3/17472 680.0 0.230 0.260 0.811 0.000 0.000 0.000 3/17472 690.0 0.226 0.256 0.799 0.000 0.000 0.000 3/17472 700.0 0.223 0.253 0.788 0.000 0.000 0.000 3/17472 710.0 0.220 0.249 0.777 0.000 0.000 0.000 3/17472 720.0 0.217 0.246 0.766 0.000 0.000 0.000 3/17472 730.0 0.214 0.242 0.755 0.000 0.000 0.000 3/17472 740.0 0.211 0.239 0.745 0.000 0.000 0.000 3/17472 750.0 0.208 0.236 0.735 0.000 0.000 0.000 3/17472 760.0 0.205 0.233 0.725 0.000 0.000 0.000 3/17472 770.0 0.203 0.230 0.715 0.000 0.000 0.000 3/17472 780.0 0.200 0.227 0.706 0.000 0.000 0.000 3/17472 790.0 0.198 0.224 0.697 0.000 0.000 0.000 3/17472 800.0 0.195 0.221 0.688 0.000 0.000 0.000 3/17472 810.0 0.193 0.218 0.680 0.000 0.000 0.000 3/17472 820.0 0.190 0.215 0.671 0.000 0.000 0.000 3/17472 830.0 0.188 0.213 0.663 0.000 0.000 0.000 3/17472 840.0 0.186 0.210 0.655 0.000 0.000 0.000 3/17472 850.0 0.184 0.208 0.647 0.000 0.000 0.000 3/17472 860.0 0.181 0.205 0.640 0.000 0.000 0.000 3/17472 870.0 0.179 0.203 0.632 0.000 0.000 0.000 3/17472 880.0 0.177 0.201 0.625 0.000 0.000 0.000 3/17472 890.0 0.175 0.198 0.618 0.000 0.000 0.000 3/17472 900.0 0.173 0.196 0.611 0.000 0.000 0.000 3/17472 910.0 0.171 0.194 0.604 0.000 0.000 0.000 3/17472 920.0 0.169 0.192 0.598 0.000 0.000 0.000 3/17472 930.0 0.168 0.190 0.591 0.000 0.000 0.000 3/17472 940.0 0.166 0.188 0.585 0.000 0.000 0.000 3/17472 950.0 0.164 0.186 0.579 0.000 0.000 0.000 3/17472 960.0 0.162 0.184 0.573 0.000 0.000 0.000 3/17472 970.0 0.161 0.182 0.567 0.000 0.000 0.000 3/17472 980.0 0.159 0.180 0.561 0.000 0.000 0.000 3/17472 990.0 0.157 0.178 0.555 0.000 0.000 0.000 3/17472 1000.0 0.156 0.176 0.550 0.000 0.000 0.000 3/17472Thermal conductivity related properties were written into "kappa-m8813.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:47:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|