# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/b1a47686-6bfb-4239-b9b0-8d1196941da7/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 LiBeP / P4/nmm (129) / materials id 9915](https://mdr.nims.go.jp/datasets/9ca63c38-cb8f-4ecd-83c3-bb798432968d) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:37:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/nmm (129)Number of symmetry operations in supercell: 288------------------------------ primitive cell ------------------------------Lattice vectors: a 3.584515870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.584515870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.954594310000000Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.35123943276786 6.941 2 Li 0.00000000000000 0.50000000000000 0.64876056723214 6.941 *3 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 4 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 *5 P 0.50000000000000 0.00000000000000 0.78066507716359 30.974 6 P 0.00000000000000 0.50000000000000 0.21933492283641 30.974-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.584515870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.584515870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.954594310000000Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.35123943276786 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.64876056723214 6.941 > 2 *3 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 3 4 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 4 *5 P 0.50000000000000 0.00000000000000 0.78066507716359 30.974 > 5 6 P 0.00000000000000 0.50000000000000 0.21933492283641 30.974 > 6-------------------------------- super cell --------------------------------Lattice vectors: a 10.753547610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.753547610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.909188620000000Atomic positions (fractional): *1 Li 0.16666666666667 0.00000000000000 0.17561971638393 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.17561971638393 6.941 > 1 3 Li 0.83333333333333 0.00000000000000 0.17561971638393 6.941 > 1 4 Li 0.16666666666667 0.33333333333333 0.17561971638393 6.941 > 1 5 Li 0.50000000000000 0.33333333333333 0.17561971638393 6.941 > 1 6 Li 0.83333333333333 0.33333333333333 0.17561971638393 6.941 > 1 7 Li 0.16666666666667 0.66666666666667 0.17561971638393 6.941 > 1 8 Li 0.50000000000000 0.66666666666667 0.17561971638393 6.941 > 1 9 Li 0.83333333333333 0.66666666666667 0.17561971638393 6.941 > 1 10 Li 0.16666666666667 0.00000000000000 0.67561971638393 6.941 > 1 11 Li 0.50000000000000 0.00000000000000 0.67561971638393 6.941 > 1 12 Li 0.83333333333333 0.00000000000000 0.67561971638393 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.67561971638393 6.941 > 1 14 Li 0.50000000000000 0.33333333333333 0.67561971638393 6.941 > 1 15 Li 0.83333333333333 0.33333333333333 0.67561971638393 6.941 > 1 16 Li 0.16666666666667 0.66666666666667 0.67561971638393 6.941 > 1 17 Li 0.50000000000000 0.66666666666667 0.67561971638393 6.941 > 1 18 Li 0.83333333333333 0.66666666666667 0.67561971638393 6.941 > 1 19 Li 0.00000000000000 0.16666666666667 0.32438028361607 6.941 > 2 20 Li 0.33333333333333 0.16666666666667 0.32438028361607 6.941 > 2 21 Li 0.66666666666667 0.16666666666667 0.32438028361607 6.941 > 2 22 Li 0.00000000000000 0.50000000000000 0.32438028361607 6.941 > 2 23 Li 0.33333333333333 0.50000000000000 0.32438028361607 6.941 > 2 24 Li 0.66666666666667 0.50000000000000 0.32438028361607 6.941 > 2 25 Li 0.00000000000000 0.83333333333333 0.32438028361607 6.941 > 2 26 Li 0.33333333333333 0.83333333333333 0.32438028361607 6.941 > 2 27 Li 0.66666666666667 0.83333333333333 0.32438028361607 6.941 > 2 28 Li 0.00000000000000 0.16666666666667 0.82438028361607 6.941 > 2 29 Li 0.33333333333333 0.16666666666667 0.82438028361607 6.941 > 2 30 Li 0.66666666666667 0.16666666666667 0.82438028361607 6.941 > 2 31 Li 0.00000000000000 0.50000000000000 0.82438028361607 6.941 > 2 32 Li 0.33333333333333 0.50000000000000 0.82438028361607 6.941 > 2 33 Li 0.66666666666667 0.50000000000000 0.82438028361607 6.941 > 2 34 Li 0.00000000000000 0.83333333333333 0.82438028361607 6.941 > 2 35 Li 0.33333333333333 0.83333333333333 0.82438028361607 6.941 > 2 36 Li 0.66666666666667 0.83333333333333 0.82438028361607 6.941 > 2 *37 Be 0.16666666666667 0.16666666666667 0.00000000000000 9.012 > 3 38 Be 0.50000000000000 0.16666666666667 0.00000000000000 9.012 > 3 39 Be 0.83333333333333 0.16666666666667 0.00000000000000 9.012 > 3 40 Be 0.16666666666667 0.50000000000000 0.00000000000000 9.012 > 3 41 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 3 42 Be 0.83333333333333 0.50000000000000 0.00000000000000 9.012 > 3 43 Be 0.16666666666667 0.83333333333333 0.00000000000000 9.012 > 3 44 Be 0.50000000000000 0.83333333333333 0.00000000000000 9.012 > 3 45 Be 0.83333333333333 0.83333333333333 0.00000000000000 9.012 > 3 46 Be 0.16666666666667 0.16666666666667 0.50000000000000 9.012 > 3 47 Be 0.50000000000000 0.16666666666667 0.50000000000000 9.012 > 3 48 Be 0.83333333333333 0.16666666666667 0.50000000000000 9.012 > 3 49 Be 0.16666666666667 0.50000000000000 0.50000000000000 9.012 > 3 50 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 3 51 Be 0.83333333333333 0.50000000000000 0.50000000000000 9.012 > 3 52 Be 0.16666666666667 0.83333333333333 0.50000000000000 9.012 > 3 53 Be 0.50000000000000 0.83333333333333 0.50000000000000 9.012 > 3 54 Be 0.83333333333333 0.83333333333333 0.50000000000000 9.012 > 3 55 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 4 56 Be 0.33333333333333 0.00000000000000 0.00000000000000 9.012 > 4 57 Be 0.66666666666667 0.00000000000000 0.00000000000000 9.012 > 4 58 Be 0.00000000000000 0.33333333333333 0.00000000000000 9.012 > 4 59 Be 0.33333333333333 0.33333333333333 0.00000000000000 9.012 > 4 60 Be 0.66666666666667 0.33333333333333 0.00000000000000 9.012 > 4 61 Be 0.00000000000000 0.66666666666667 0.00000000000000 9.012 > 4 62 Be 0.33333333333333 0.66666666666667 0.00000000000000 9.012 > 4 63 Be 0.66666666666667 0.66666666666667 0.00000000000000 9.012 > 4 64 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 > 4 65 Be 0.33333333333333 0.00000000000000 0.50000000000000 9.012 > 4 66 Be 0.66666666666667 0.00000000000000 0.50000000000000 9.012 > 4 67 Be 0.00000000000000 0.33333333333333 0.50000000000000 9.012 > 4 68 Be 0.33333333333333 0.33333333333333 0.50000000000000 9.012 > 4 69 Be 0.66666666666667 0.33333333333333 0.50000000000000 9.012 > 4 70 Be 0.00000000000000 0.66666666666667 0.50000000000000 9.012 > 4 71 Be 0.33333333333333 0.66666666666667 0.50000000000000 9.012 > 4 72 Be 0.66666666666667 0.66666666666667 0.50000000000000 9.012 > 4 *73 P 0.16666666666667 0.00000000000000 0.39033253858179 30.974 > 5 74 P 0.50000000000000 0.00000000000000 0.39033253858179 30.974 > 5 75 P 0.83333333333333 0.00000000000000 0.39033253858179 30.974 > 5 76 P 0.16666666666667 0.33333333333333 0.39033253858179 30.974 > 5 77 P 0.50000000000000 0.33333333333333 0.39033253858179 30.974 > 5 78 P 0.83333333333333 0.33333333333333 0.39033253858179 30.974 > 5 79 P 0.16666666666667 0.66666666666667 0.39033253858179 30.974 > 5 80 P 0.50000000000000 0.66666666666667 0.39033253858179 30.974 > 5 81 P 0.83333333333333 0.66666666666667 0.39033253858179 30.974 > 5 82 P 0.16666666666667 0.00000000000000 0.89033253858179 30.974 > 5 83 P 0.50000000000000 0.00000000000000 0.89033253858179 30.974 > 5 84 P 0.83333333333333 0.00000000000000 0.89033253858179 30.974 > 5 85 P 0.16666666666667 0.33333333333333 0.89033253858179 30.974 > 5 86 P 0.50000000000000 0.33333333333333 0.89033253858179 30.974 > 5 87 P 0.83333333333333 0.33333333333333 0.89033253858179 30.974 > 5 88 P 0.16666666666667 0.66666666666667 0.89033253858179 30.974 > 5 89 P 0.50000000000000 0.66666666666667 0.89033253858179 30.974 > 5 90 P 0.83333333333333 0.66666666666667 0.89033253858179 30.974 > 5 91 P 0.00000000000000 0.16666666666667 0.10966746141821 30.974 > 6 92 P 0.33333333333333 0.16666666666667 0.10966746141821 30.974 > 6 93 P 0.66666666666667 0.16666666666667 0.10966746141821 30.974 > 6 94 P 0.00000000000000 0.50000000000000 0.10966746141821 30.974 > 6 95 P 0.33333333333333 0.50000000000000 0.10966746141821 30.974 > 6 96 P 0.66666666666667 0.50000000000000 0.10966746141821 30.974 > 6 97 P 0.00000000000000 0.83333333333333 0.10966746141821 30.974 > 6 98 P 0.33333333333333 0.83333333333333 0.10966746141821 30.974 > 6 99 P 0.66666666666667 0.83333333333333 0.10966746141821 30.974 > 6 100 P 0.00000000000000 0.16666666666667 0.60966746141821 30.974 > 6 101 P 0.33333333333333 0.16666666666667 0.60966746141821 30.974 > 6 102 P 0.66666666666667 0.16666666666667 0.60966746141821 30.974 > 6 103 P 0.00000000000000 0.50000000000000 0.60966746141821 30.974 > 6 104 P 0.33333333333333 0.50000000000000 0.60966746141821 30.974 > 6 105 P 0.66666666666667 0.50000000000000 0.60966746141821 30.974 > 6 106 P 0.00000000000000 0.83333333333333 0.60966746141821 30.974 > 6 107 P 0.33333333333333 0.83333333333333 0.60966746141821 30.974 > 6 108 P 0.66666666666667 0.83333333333333 0.60966746141821 30.974 > 6----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.8099449 0.0000000 0.0000000 0.0000000 9.8099449 0.0000000 0.0000000 0.0000000 7.2526586-------------------------- Born effective charges -------------------------- 1 Li 1.2638339 0.0000000 0.0000000 0.0000000 1.2638339 0.0000000 0.0000000 0.0000000 1.3394236 2 Li 1.2638339 0.0000000 0.0000000 0.0000000 1.2638339 0.0000000 0.0000000 0.0000000 1.3394236 3 Be 1.5521801 0.0000000 0.0000000 0.0000000 1.5521801 0.0000000 0.0000000 0.0000000 0.3812070 4 Be 1.5521801 0.0000000 0.0000000 0.0000000 1.5521801 0.0000000 0.0000000 0.0000000 0.3812070 5 P -2.8160140 0.0000000 0.0000000 0.0000000 -2.8160140 0.0000000 0.0000000 0.0000000 -1.7206307 6 P -2.8160140 0.0000000 0.0000000 0.0000000 -2.8160140 0.0000000 0.0000000 0.0000000 -1.7206307----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 3366/3366Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 256Number of blocks in projector: 262Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 96Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 72Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 24Use standard eigh solver.Tree of FC basis block matrices:- (256, 250), data: False|-- (24, 24), data: True|-- (64, 61), data: True|-- (72, 72), data: True|-- (96, 93), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.009Solver_block: 80 / 80 - Time: 0.189Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.209--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324Permutation basis: 3366/3366Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 256Number of blocks in projector: 262Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 96Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 72Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 24Use standard eigh solver.Tree of FC basis block matrices:- (256, 250), data: False|-- (24, 24), data: True|-- (64, 61), data: True|-- (72, 72), data: True|-- (96, 93), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:37:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:37:08]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/nmm (129)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.584515870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.584515870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.954594310000000Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.35123943276786 6.941 2 Li 0.00000000000000 0.50000000000000 0.64876056723214 6.941 3 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 4 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 5 P 0.50000000000000 0.00000000000000 0.78066507716359 30.974 6 P 0.00000000000000 0.50000000000000 0.21933492283641 30.974-------------------------------- supercell ---------------------------------Lattice vectors: a 10.753547610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.753547610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.909188620000000Atomic positions (fractional): 1 Li 0.16666666666667 0.00000000000000 0.17561971638393 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.17561971638393 6.941 > 1 3 Li 0.83333333333333 0.00000000000000 0.17561971638393 6.941 > 1 4 Li 0.16666666666667 0.33333333333333 0.17561971638393 6.941 > 1 5 Li 0.50000000000000 0.33333333333333 0.17561971638393 6.941 > 1 6 Li 0.83333333333333 0.33333333333333 0.17561971638393 6.941 > 1 7 Li 0.16666666666667 0.66666666666667 0.17561971638393 6.941 > 1 8 Li 0.50000000000000 0.66666666666667 0.17561971638393 6.941 > 1 9 Li 0.83333333333333 0.66666666666667 0.17561971638393 6.941 > 1 10 Li 0.16666666666667 0.00000000000000 0.67561971638393 6.941 > 1 11 Li 0.50000000000000 0.00000000000000 0.67561971638393 6.941 > 1 12 Li 0.83333333333333 0.00000000000000 0.67561971638393 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.67561971638393 6.941 > 1 14 Li 0.50000000000000 0.33333333333333 0.67561971638393 6.941 > 1 15 Li 0.83333333333333 0.33333333333333 0.67561971638393 6.941 > 1 16 Li 0.16666666666667 0.66666666666667 0.67561971638393 6.941 > 1 17 Li 0.50000000000000 0.66666666666667 0.67561971638393 6.941 > 1 18 Li 0.83333333333333 0.66666666666667 0.67561971638393 6.941 > 1 19 Li 0.00000000000000 0.16666666666667 0.32438028361607 6.941 > 19 20 Li 0.33333333333333 0.16666666666667 0.32438028361607 6.941 > 19 21 Li 0.66666666666667 0.16666666666667 0.32438028361607 6.941 > 19 22 Li 0.00000000000000 0.50000000000000 0.32438028361607 6.941 > 19 23 Li 0.33333333333333 0.50000000000000 0.32438028361607 6.941 > 19 24 Li 0.66666666666667 0.50000000000000 0.32438028361607 6.941 > 19 25 Li 0.00000000000000 0.83333333333333 0.32438028361607 6.941 > 19 26 Li 0.33333333333333 0.83333333333333 0.32438028361607 6.941 > 19 27 Li 0.66666666666667 0.83333333333333 0.32438028361607 6.941 > 19 28 Li 0.00000000000000 0.16666666666667 0.82438028361607 6.941 > 19 29 Li 0.33333333333333 0.16666666666667 0.82438028361607 6.941 > 19 30 Li 0.66666666666667 0.16666666666667 0.82438028361607 6.941 > 19 31 Li 0.00000000000000 0.50000000000000 0.82438028361607 6.941 > 19 32 Li 0.33333333333333 0.50000000000000 0.82438028361607 6.941 > 19 33 Li 0.66666666666667 0.50000000000000 0.82438028361607 6.941 > 19 34 Li 0.00000000000000 0.83333333333333 0.82438028361607 6.941 > 19 35 Li 0.33333333333333 0.83333333333333 0.82438028361607 6.941 > 19 36 Li 0.66666666666667 0.83333333333333 0.82438028361607 6.941 > 19 37 Be 0.16666666666667 0.16666666666667 0.00000000000000 9.012 > 37 38 Be 0.50000000000000 0.16666666666667 0.00000000000000 9.012 > 37 39 Be 0.83333333333333 0.16666666666667 0.00000000000000 9.012 > 37 40 Be 0.16666666666667 0.50000000000000 0.00000000000000 9.012 > 37 41 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 37 42 Be 0.83333333333333 0.50000000000000 0.00000000000000 9.012 > 37 43 Be 0.16666666666667 0.83333333333333 0.00000000000000 9.012 > 37 44 Be 0.50000000000000 0.83333333333333 0.00000000000000 9.012 > 37 45 Be 0.83333333333333 0.83333333333333 0.00000000000000 9.012 > 37 46 Be 0.16666666666667 0.16666666666667 0.50000000000000 9.012 > 37 47 Be 0.50000000000000 0.16666666666667 0.50000000000000 9.012 > 37 48 Be 0.83333333333333 0.16666666666667 0.50000000000000 9.012 > 37 49 Be 0.16666666666667 0.50000000000000 0.50000000000000 9.012 > 37 50 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 37 51 Be 0.83333333333333 0.50000000000000 0.50000000000000 9.012 > 37 52 Be 0.16666666666667 0.83333333333333 0.50000000000000 9.012 > 37 53 Be 0.50000000000000 0.83333333333333 0.50000000000000 9.012 > 37 54 Be 0.83333333333333 0.83333333333333 0.50000000000000 9.012 > 37 55 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 55 56 Be 0.33333333333333 0.00000000000000 0.00000000000000 9.012 > 55 57 Be 0.66666666666667 0.00000000000000 0.00000000000000 9.012 > 55 58 Be 0.00000000000000 0.33333333333333 0.00000000000000 9.012 > 55 59 Be 0.33333333333333 0.33333333333333 0.00000000000000 9.012 > 55 60 Be 0.66666666666667 0.33333333333333 0.00000000000000 9.012 > 55 61 Be 0.00000000000000 0.66666666666667 0.00000000000000 9.012 > 55 62 Be 0.33333333333333 0.66666666666667 0.00000000000000 9.012 > 55 63 Be 0.66666666666667 0.66666666666667 0.00000000000000 9.012 > 55 64 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 > 55 65 Be 0.33333333333333 0.00000000000000 0.50000000000000 9.012 > 55 66 Be 0.66666666666667 0.00000000000000 0.50000000000000 9.012 > 55 67 Be 0.00000000000000 0.33333333333333 0.50000000000000 9.012 > 55 68 Be 0.33333333333333 0.33333333333333 0.50000000000000 9.012 > 55 69 Be 0.66666666666667 0.33333333333333 0.50000000000000 9.012 > 55 70 Be 0.00000000000000 0.66666666666667 0.50000000000000 9.012 > 55 71 Be 0.33333333333333 0.66666666666667 0.50000000000000 9.012 > 55 72 Be 0.66666666666667 0.66666666666667 0.50000000000000 9.012 > 55 73 P 0.16666666666667 0.00000000000000 0.39033253858179 30.974 > 73 74 P 0.50000000000000 0.00000000000000 0.39033253858179 30.974 > 73 75 P 0.83333333333333 0.00000000000000 0.39033253858179 30.974 > 73 76 P 0.16666666666667 0.33333333333333 0.39033253858179 30.974 > 73 77 P 0.50000000000000 0.33333333333333 0.39033253858179 30.974 > 73 78 P 0.83333333333333 0.33333333333333 0.39033253858179 30.974 > 73 79 P 0.16666666666667 0.66666666666667 0.39033253858179 30.974 > 73 80 P 0.50000000000000 0.66666666666667 0.39033253858179 30.974 > 73 81 P 0.83333333333333 0.66666666666667 0.39033253858179 30.974 > 73 82 P 0.16666666666667 0.00000000000000 0.89033253858179 30.974 > 73 83 P 0.50000000000000 0.00000000000000 0.89033253858179 30.974 > 73 84 P 0.83333333333333 0.00000000000000 0.89033253858179 30.974 > 73 85 P 0.16666666666667 0.33333333333333 0.89033253858179 30.974 > 73 86 P 0.50000000000000 0.33333333333333 0.89033253858179 30.974 > 73 87 P 0.83333333333333 0.33333333333333 0.89033253858179 30.974 > 73 88 P 0.16666666666667 0.66666666666667 0.89033253858179 30.974 > 73 89 P 0.50000000000000 0.66666666666667 0.89033253858179 30.974 > 73 90 P 0.83333333333333 0.66666666666667 0.89033253858179 30.974 > 73 91 P 0.00000000000000 0.16666666666667 0.10966746141821 30.974 > 91 92 P 0.33333333333333 0.16666666666667 0.10966746141821 30.974 > 91 93 P 0.66666666666667 0.16666666666667 0.10966746141821 30.974 > 91 94 P 0.00000000000000 0.50000000000000 0.10966746141821 30.974 > 91 95 P 0.33333333333333 0.50000000000000 0.10966746141821 30.974 > 91 96 P 0.66666666666667 0.50000000000000 0.10966746141821 30.974 > 91 97 P 0.00000000000000 0.83333333333333 0.10966746141821 30.974 > 91 98 P 0.33333333333333 0.83333333333333 0.10966746141821 30.974 > 91 99 P 0.66666666666667 0.83333333333333 0.10966746141821 30.974 > 91 100 P 0.00000000000000 0.16666666666667 0.60966746141821 30.974 > 91 101 P 0.33333333333333 0.16666666666667 0.60966746141821 30.974 > 91 102 P 0.66666666666667 0.16666666666667 0.60966746141821 30.974 > 91 103 P 0.00000000000000 0.50000000000000 0.60966746141821 30.974 > 91 104 P 0.33333333333333 0.50000000000000 0.60966746141821 30.974 > 91 105 P 0.66666666666667 0.50000000000000 0.60966746141821 30.974 > 91 106 P 0.00000000000000 0.83333333333333 0.60966746141821 30.974 > 91 107 P 0.33333333333333 0.83333333333333 0.60966746141821 30.974 > 91 108 P 0.66666666666667 0.83333333333333 0.60966746141821 30.974 > 91----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.8099449 0.0000000 0.0000000 0.0000000 9.8099449 0.0000000 0.0000000 0.0000000 7.2526586-------------------------- Born effective charges -------------------------- 1 Li 1.2638339 0.0000000 0.0000000 0.0000000 1.2638339 0.0000000 0.0000000 0.0000000 1.3394236 2 Li 1.2638339 0.0000000 0.0000000 0.0000000 1.2638339 0.0000000 0.0000000 0.0000000 1.3394236 3 Be 1.5521801 0.0000000 0.0000000 0.0000000 1.5521801 0.0000000 0.0000000 0.0000000 0.3812070 4 Be 1.5521801 0.0000000 0.0000000 0.0000000 1.5521801 0.0000000 0.0000000 0.0000000 0.3812070 5 P -2.8160140 0.0000000 0.0000000 0.0000000 -2.8160140 0.0000000 0.0000000 0.0000000 -1.7206307 6 P -2.8160140 0.0000000 0.0000000 0.0000000 -2.8160140 0.0000000 0.0000000 0.0000000 -1.7206307----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:37:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:37:13]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/nmm (129)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.584515870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.584515870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.954594310000000Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.35123943276786 6.941 2 Li 0.00000000000000 0.50000000000000 0.64876056723214 6.941 3 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 4 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 5 P 0.50000000000000 0.00000000000000 0.78066507716359 30.974 6 P 0.00000000000000 0.50000000000000 0.21933492283641 30.974-------------------------------- supercell ---------------------------------Lattice vectors: a 10.753547610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.753547610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.909188620000000Atomic positions (fractional): 1 Li 0.16666666666667 0.00000000000000 0.17561971638393 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.17561971638393 6.941 > 1 3 Li 0.83333333333333 0.00000000000000 0.17561971638393 6.941 > 1 4 Li 0.16666666666667 0.33333333333333 0.17561971638393 6.941 > 1 5 Li 0.50000000000000 0.33333333333333 0.17561971638393 6.941 > 1 6 Li 0.83333333333333 0.33333333333333 0.17561971638393 6.941 > 1 7 Li 0.16666666666667 0.66666666666667 0.17561971638393 6.941 > 1 8 Li 0.50000000000000 0.66666666666667 0.17561971638393 6.941 > 1 9 Li 0.83333333333333 0.66666666666667 0.17561971638393 6.941 > 1 10 Li 0.16666666666667 0.00000000000000 0.67561971638393 6.941 > 1 11 Li 0.50000000000000 0.00000000000000 0.67561971638393 6.941 > 1 12 Li 0.83333333333333 0.00000000000000 0.67561971638393 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.67561971638393 6.941 > 1 14 Li 0.50000000000000 0.33333333333333 0.67561971638393 6.941 > 1 15 Li 0.83333333333333 0.33333333333333 0.67561971638393 6.941 > 1 16 Li 0.16666666666667 0.66666666666667 0.67561971638393 6.941 > 1 17 Li 0.50000000000000 0.66666666666667 0.67561971638393 6.941 > 1 18 Li 0.83333333333333 0.66666666666667 0.67561971638393 6.941 > 1 19 Li 0.00000000000000 0.16666666666667 0.32438028361607 6.941 > 19 20 Li 0.33333333333333 0.16666666666667 0.32438028361607 6.941 > 19 21 Li 0.66666666666667 0.16666666666667 0.32438028361607 6.941 > 19 22 Li 0.00000000000000 0.50000000000000 0.32438028361607 6.941 > 19 23 Li 0.33333333333333 0.50000000000000 0.32438028361607 6.941 > 19 24 Li 0.66666666666667 0.50000000000000 0.32438028361607 6.941 > 19 25 Li 0.00000000000000 0.83333333333333 0.32438028361607 6.941 > 19 26 Li 0.33333333333333 0.83333333333333 0.32438028361607 6.941 > 19 27 Li 0.66666666666667 0.83333333333333 0.32438028361607 6.941 > 19 28 Li 0.00000000000000 0.16666666666667 0.82438028361607 6.941 > 19 29 Li 0.33333333333333 0.16666666666667 0.82438028361607 6.941 > 19 30 Li 0.66666666666667 0.16666666666667 0.82438028361607 6.941 > 19 31 Li 0.00000000000000 0.50000000000000 0.82438028361607 6.941 > 19 32 Li 0.33333333333333 0.50000000000000 0.82438028361607 6.941 > 19 33 Li 0.66666666666667 0.50000000000000 0.82438028361607 6.941 > 19 34 Li 0.00000000000000 0.83333333333333 0.82438028361607 6.941 > 19 35 Li 0.33333333333333 0.83333333333333 0.82438028361607 6.941 > 19 36 Li 0.66666666666667 0.83333333333333 0.82438028361607 6.941 > 19 37 Be 0.16666666666667 0.16666666666667 0.00000000000000 9.012 > 37 38 Be 0.50000000000000 0.16666666666667 0.00000000000000 9.012 > 37 39 Be 0.83333333333333 0.16666666666667 0.00000000000000 9.012 > 37 40 Be 0.16666666666667 0.50000000000000 0.00000000000000 9.012 > 37 41 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 37 42 Be 0.83333333333333 0.50000000000000 0.00000000000000 9.012 > 37 43 Be 0.16666666666667 0.83333333333333 0.00000000000000 9.012 > 37 44 Be 0.50000000000000 0.83333333333333 0.00000000000000 9.012 > 37 45 Be 0.83333333333333 0.83333333333333 0.00000000000000 9.012 > 37 46 Be 0.16666666666667 0.16666666666667 0.50000000000000 9.012 > 37 47 Be 0.50000000000000 0.16666666666667 0.50000000000000 9.012 > 37 48 Be 0.83333333333333 0.16666666666667 0.50000000000000 9.012 > 37 49 Be 0.16666666666667 0.50000000000000 0.50000000000000 9.012 > 37 50 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 37 51 Be 0.83333333333333 0.50000000000000 0.50000000000000 9.012 > 37 52 Be 0.16666666666667 0.83333333333333 0.50000000000000 9.012 > 37 53 Be 0.50000000000000 0.83333333333333 0.50000000000000 9.012 > 37 54 Be 0.83333333333333 0.83333333333333 0.50000000000000 9.012 > 37 55 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 55 56 Be 0.33333333333333 0.00000000000000 0.00000000000000 9.012 > 55 57 Be 0.66666666666667 0.00000000000000 0.00000000000000 9.012 > 55 58 Be 0.00000000000000 0.33333333333333 0.00000000000000 9.012 > 55 59 Be 0.33333333333333 0.33333333333333 0.00000000000000 9.012 > 55 60 Be 0.66666666666667 0.33333333333333 0.00000000000000 9.012 > 55 61 Be 0.00000000000000 0.66666666666667 0.00000000000000 9.012 > 55 62 Be 0.33333333333333 0.66666666666667 0.00000000000000 9.012 > 55 63 Be 0.66666666666667 0.66666666666667 0.00000000000000 9.012 > 55 64 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 > 55 65 Be 0.33333333333333 0.00000000000000 0.50000000000000 9.012 > 55 66 Be 0.66666666666667 0.00000000000000 0.50000000000000 9.012 > 55 67 Be 0.00000000000000 0.33333333333333 0.50000000000000 9.012 > 55 68 Be 0.33333333333333 0.33333333333333 0.50000000000000 9.012 > 55 69 Be 0.66666666666667 0.33333333333333 0.50000000000000 9.012 > 55 70 Be 0.00000000000000 0.66666666666667 0.50000000000000 9.012 > 55 71 Be 0.33333333333333 0.66666666666667 0.50000000000000 9.012 > 55 72 Be 0.66666666666667 0.66666666666667 0.50000000000000 9.012 > 55 73 P 0.16666666666667 0.00000000000000 0.39033253858179 30.974 > 73 74 P 0.50000000000000 0.00000000000000 0.39033253858179 30.974 > 73 75 P 0.83333333333333 0.00000000000000 0.39033253858179 30.974 > 73 76 P 0.16666666666667 0.33333333333333 0.39033253858179 30.974 > 73 77 P 0.50000000000000 0.33333333333333 0.39033253858179 30.974 > 73 78 P 0.83333333333333 0.33333333333333 0.39033253858179 30.974 > 73 79 P 0.16666666666667 0.66666666666667 0.39033253858179 30.974 > 73 80 P 0.50000000000000 0.66666666666667 0.39033253858179 30.974 > 73 81 P 0.83333333333333 0.66666666666667 0.39033253858179 30.974 > 73 82 P 0.16666666666667 0.00000000000000 0.89033253858179 30.974 > 73 83 P 0.50000000000000 0.00000000000000 0.89033253858179 30.974 > 73 84 P 0.83333333333333 0.00000000000000 0.89033253858179 30.974 > 73 85 P 0.16666666666667 0.33333333333333 0.89033253858179 30.974 > 73 86 P 0.50000000000000 0.33333333333333 0.89033253858179 30.974 > 73 87 P 0.83333333333333 0.33333333333333 0.89033253858179 30.974 > 73 88 P 0.16666666666667 0.66666666666667 0.89033253858179 30.974 > 73 89 P 0.50000000000000 0.66666666666667 0.89033253858179 30.974 > 73 90 P 0.83333333333333 0.66666666666667 0.89033253858179 30.974 > 73 91 P 0.00000000000000 0.16666666666667 0.10966746141821 30.974 > 91 92 P 0.33333333333333 0.16666666666667 0.10966746141821 30.974 > 91 93 P 0.66666666666667 0.16666666666667 0.10966746141821 30.974 > 91 94 P 0.00000000000000 0.50000000000000 0.10966746141821 30.974 > 91 95 P 0.33333333333333 0.50000000000000 0.10966746141821 30.974 > 91 96 P 0.66666666666667 0.50000000000000 0.10966746141821 30.974 > 91 97 P 0.00000000000000 0.83333333333333 0.10966746141821 30.974 > 91 98 P 0.33333333333333 0.83333333333333 0.10966746141821 30.974 > 91 99 P 0.66666666666667 0.83333333333333 0.10966746141821 30.974 > 91 100 P 0.00000000000000 0.16666666666667 0.60966746141821 30.974 > 91 101 P 0.33333333333333 0.16666666666667 0.60966746141821 30.974 > 91 102 P 0.66666666666667 0.16666666666667 0.60966746141821 30.974 > 91 103 P 0.00000000000000 0.50000000000000 0.60966746141821 30.974 > 91 104 P 0.33333333333333 0.50000000000000 0.60966746141821 30.974 > 91 105 P 0.66666666666667 0.50000000000000 0.60966746141821 30.974 > 91 106 P 0.00000000000000 0.83333333333333 0.60966746141821 30.974 > 91 107 P 0.33333333333333 0.83333333333333 0.60966746141821 30.974 > 91 108 P 0.66666666666667 0.83333333333333 0.60966746141821 30.974 > 91----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 9.8099449 0.0000000 0.0000000 0.0000000 9.8099449 0.0000000 0.0000000 0.0000000 7.2526586-------------------------- Born effective charges -------------------------- 1 Li 1.2638339 0.0000000 0.0000000 0.0000000 1.2638339 0.0000000 0.0000000 0.0000000 1.3394236 2 Li 1.2638339 0.0000000 0.0000000 0.0000000 1.2638339 0.0000000 0.0000000 0.0000000 1.3394236 3 Be 1.5521801 0.0000000 0.0000000 0.0000000 1.5521801 0.0000000 0.0000000 0.0000000 0.3812070 4 Be 1.5521801 0.0000000 0.0000000 0.0000000 1.5521801 0.0000000 0.0000000 0.0000000 0.3812070 5 P -2.8160140 0.0000000 0.0000000 0.0000000 -2.8160140 0.0000000 0.0000000 0.0000000 -1.7206307 6 P -2.8160140 0.0000000 0.0000000 0.0000000 -2.8160140 0.0000000 0.0000000 0.0000000 -1.7206307----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 8 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.98, Number of G-points: 303, Lambda: 0.31Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/180) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 -0.000) 0.000 5.845 ( -0.000 0.000 -0.000) 0.000 7.409 ( 0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 -0.000) 0.000 8.720 ( 0.000 -0.000 0.000) 0.000 8.720 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 13.350 ( -0.000 0.000 -0.000) 0.000 13.350 ( -0.000 0.000 -0.000) 0.000 13.766 ( 0.000 0.000 0.000) 0.000 14.905 ( 0.000 0.000 -0.000) 0.000 14.905 ( 0.000 -0.000 0.000) 0.000 18.824 ( 0.000 0.000 -0.000) 0.000======================= Grid point 1 (2/180) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.667 ( 33.725 0.000 0.000) 33.725 0.825 ( 43.439 0.000 0.000) 43.439 1.725 ( 85.078 0.000 0.000) 85.078 5.879 ( 3.254 0.000 0.000) 3.254 6.110 ( 25.023 0.000 0.000) 25.023 7.441 ( 3.130 0.000 0.000) 3.130 8.393 ( -2.915 0.000 0.000) 2.915 8.659 ( -6.078 0.000 0.000) 6.078 8.717 ( -0.079 0.000 0.000) 0.079 9.697 ( -3.245 0.000 0.000) 3.245 9.926 ( 0.453 0.000 0.000) 0.453 11.207 ( 1.130 0.000 0.000) 1.130 13.382 ( 3.131 0.000 0.000) 3.131 13.687 ( -7.366 0.000 0.000) 7.366 14.898 ( -0.644 0.000 0.000) 0.644 14.905 ( -0.111 0.000 0.000) 0.111 15.923 ( 7.559 0.000 0.000) 7.559 18.680 ( -14.113 0.000 0.000) 14.113======================= Grid point 2 (3/180) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( 34.738 0.000 0.000) 34.738 1.741 ( 48.208 0.000 0.000) 48.208 3.361 ( 78.291 0.000 0.000) 78.291 5.965 ( 5.033 0.000 0.000) 5.033 6.744 ( 35.594 0.000 0.000) 35.594 7.525 ( 5.024 0.000 0.000) 5.024 8.304 ( -6.112 0.000 0.000) 6.112 8.484 ( -11.254 0.000 0.000) 11.254 8.734 ( 2.532 0.000 0.000) 2.532 9.601 ( -6.315 0.000 0.000) 6.315 9.940 ( 0.948 0.000 0.000) 0.948 11.238 ( 1.842 0.000 0.000) 1.842 13.474 ( 6.059 0.000 0.000) 6.059 13.505 ( -10.092 0.000 0.000) 10.092 14.878 ( -1.373 0.000 0.000) 1.373 14.892 ( -1.427 0.000 0.000) 1.427 16.112 ( 10.596 0.000 0.000) 10.596 18.284 ( -24.826 0.000 0.000) 24.826======================= Grid point 3 (4/180) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 35.991 0.000 0.000) 35.991 2.725 ( 49.924 0.000 0.000) 49.924 4.813 ( 66.562 0.000 0.000) 66.562 6.059 ( 3.761 0.000 0.000) 3.761 7.405 ( 27.887 0.000 0.000) 27.887 7.629 ( 5.066 0.000 0.000) 5.066 8.153 ( -8.682 0.000 0.000) 8.682 8.225 ( -14.187 0.000 0.000) 14.187 8.857 ( 10.658 0.000 0.000) 10.658 9.449 ( -8.804 0.000 0.000) 8.804 9.971 ( 2.612 0.000 0.000) 2.612 11.274 ( 1.485 0.000 0.000) 1.485 13.316 ( -8.163 0.000 0.000) 8.163 13.620 ( 8.508 0.000 0.000) 8.508 14.833 ( -4.916 0.000 0.000) 4.916 14.842 ( -2.303 0.000 0.000) 2.303 16.317 ( 9.415 0.000 0.000) 9.415 17.734 ( -29.046 0.000 0.000) 29.046======================= Grid point 4 (5/180) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.781 ( 36.966 0.000 0.000) 36.966 3.708 ( 48.207 0.000 0.000) 48.207 5.964 ( 47.070 0.000 0.000) 47.070 6.081 ( -2.545 0.000 0.000) 2.545 7.716 ( 3.467 0.000 0.000) 3.467 7.797 ( 12.181 0.000 0.000) 12.181 7.947 ( -12.737 0.000 0.000) 12.737 7.986 ( -6.750 0.000 0.000) 6.750 9.136 ( 14.556 0.000 0.000) 14.556 9.258 ( -10.090 0.000 0.000) 10.090 10.075 ( 8.917 0.000 0.000) 8.917 11.286 ( -0.513 0.000 0.000) 0.513 13.203 ( -2.720 0.000 0.000) 2.720 13.808 ( 10.147 0.000 0.000) 10.147 14.680 ( -10.735 0.000 0.000) 10.735 14.784 ( -3.551 0.000 0.000) 3.551 16.472 ( 5.857 0.000 0.000) 5.857 17.182 ( -25.019 0.000 0.000) 25.019======================= Grid point 5 (6/180) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.521 ( 37.116 0.000 0.000) 37.116 4.627 ( 43.589 0.000 0.000) 43.589 5.921 ( -14.181 0.000 0.000) 14.181 6.581 ( 12.473 0.000 0.000) 12.473 7.753 ( -6.254 0.000 0.000) 6.254 7.761 ( 1.024 0.000 0.000) 1.024 7.960 ( 5.771 0.000 0.000) 5.771 7.970 ( 6.862 0.000 0.000) 6.862 9.067 ( -8.241 0.000 0.000) 8.241 9.322 ( 3.196 0.000 0.000) 3.196 10.345 ( 17.019 0.000 0.000) 17.019 11.244 ( -3.823 0.000 0.000) 3.823 13.222 ( 4.799 0.000 0.000) 4.799 14.017 ( 10.724 0.000 0.000) 10.724 14.404 ( -16.590 0.000 0.000) 16.590 14.698 ( -5.162 0.000 0.000) 5.162 16.547 ( 1.784 0.000 0.000) 1.784 16.778 ( -15.040 0.000 0.000) 15.040======================= Grid point 6 (7/180) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.251 ( 35.858 0.000 0.000) 35.858 5.429 ( 36.607 0.000 0.000) 36.607 5.519 ( -25.478 0.000 0.000) 25.478 6.514 ( -15.316 0.000 0.000) 15.316 7.696 ( -0.064 0.000 0.000) 0.064 7.758 ( -1.216 0.000 0.000) 1.216 8.067 ( 5.395 0.000 0.000) 5.395 8.158 ( 6.806 0.000 0.000) 6.806 8.986 ( 1.786 0.000 0.000) 1.786 9.287 ( -5.810 0.000 0.000) 5.810 10.683 ( 15.669 0.000 0.000) 15.669 11.133 ( -7.357 0.000 0.000) 7.357 13.392 ( 11.975 0.000 0.000) 11.975 14.045 ( -18.771 0.000 0.000) 18.771 14.228 ( 10.210 0.000 0.000) 10.210 14.577 ( -7.023 0.000 0.000) 7.023 16.553 ( -0.848 0.000 0.000) 0.848 16.580 ( -5.337 0.000 0.000) 5.337======================= Grid point 7 (8/180) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.935 ( -32.409 0.000 0.000) 32.409 4.935 ( 32.409 0.000 0.000) 32.409 6.074 ( -27.766 0.000 0.000) 27.766 6.074 ( 27.766 0.000 0.000) 27.766 7.722 ( -2.060 0.000 0.000) 2.060 7.722 ( 2.060 0.000 0.000) 2.060 8.169 ( -4.006 0.000 0.000) 4.006 8.169 ( 4.006 0.000 0.000) 4.006 9.123 ( -9.524 0.000 0.000) 9.524 9.123 ( 9.524 0.000 0.000) 9.524 10.950 ( -11.140 0.000 0.000) 11.140 10.950 ( 11.140 0.000 0.000) 11.140 13.684 ( -16.882 0.000 0.000) 16.882 13.684 ( 16.882 0.000 0.000) 16.882 14.419 ( -8.843 0.000 0.000) 8.843 14.419 ( 8.843 0.000 0.000) 8.843 16.536 ( -0.097 0.000 0.000) 0.097 16.536 ( 0.097 0.000 0.000) 0.097======================= Grid point 16 (9/180) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 29.084 29.084 0.000) 41.130 1.566 ( 38.178 38.178 0.000) 53.992 2.080 ( 51.077 51.077 0.000) 72.233 6.055 ( 10.112 10.112 0.000) 14.301 6.227 ( 17.679 17.679 0.000) 25.002 7.382 ( -1.186 -1.186 0.000) 1.677 8.463 ( 1.638 1.638 0.000) 2.316 8.543 ( -8.458 -8.458 0.000) 11.962 8.774 ( 2.799 2.799 0.000) 3.958 9.665 ( -3.212 -3.212 0.000) 4.543 9.929 ( 0.277 0.277 0.000) 0.392 11.218 ( 1.061 1.061 0.000) 1.500 12.949 ( -11.583 -11.583 0.000) 16.381 14.187 ( 12.321 12.321 0.000) 17.424 14.835 ( -3.561 -3.561 0.000) 5.036 14.961 ( 2.741 2.741 0.000) 3.876 15.866 ( 1.263 1.263 0.000) 1.786 18.539 ( -13.952 -13.952 0.000) 19.731======================= Grid point 17 (10/180) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( 42.220 13.929 0.000) 44.458 2.052 ( 22.548 54.579 0.000) 59.053 3.474 ( 74.197 12.905 0.000) 75.311 6.186 ( 5.553 20.006 0.000) 20.762 6.804 ( 34.414 6.672 0.000) 35.055 7.413 ( 3.480 -6.988 0.000) 7.807 8.345 ( -11.167 -11.007 0.000) 15.680 8.426 ( -4.633 7.735 0.000) 9.016 8.826 ( 3.047 6.408 0.000) 7.095 9.570 ( -6.265 -3.129 0.000) 7.003 9.939 ( 0.866 0.020 0.000) 0.866 11.246 ( 1.561 0.721 0.000) 1.720 12.862 ( -0.072 -22.396 0.000) 22.396 14.207 ( -5.106 29.274 0.000) 29.716 14.756 ( -4.461 -6.688 0.000) 8.039 15.006 ( 1.572 5.711 0.000) 5.923 16.011 ( 10.874 -7.337 0.000) 13.118 18.147 ( -24.520 -13.485 0.000) 27.983======================= Grid point 18 (11/180) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.552 ( 27.567 43.356 0.000) 51.378 2.770 ( 46.651 5.434 0.000) 46.966 4.875 ( 64.874 6.713 0.000) 65.220 6.285 ( 3.879 21.093 0.000) 21.447 7.441 ( 25.960 3.696 0.000) 26.222 7.492 ( 3.799 -9.405 0.000) 10.143 8.116 ( -10.810 -9.617 0.000) 14.469 8.301 ( -7.369 10.248 0.000) 12.623 8.935 ( 8.997 6.704 0.000) 11.220 9.419 ( -8.679 -2.976 0.000) 9.175 9.971 ( 2.688 0.031 0.000) 2.689 11.273 ( 0.869 -0.160 0.000) 0.883 12.888 ( 2.119 -22.058 0.000) 22.160 14.108 ( -3.326 27.228 0.000) 27.431 14.650 ( -6.369 -9.581 0.000) 11.505 15.015 ( -0.947 8.412 0.000) 8.465 16.231 ( 10.228 -7.480 0.000) 12.671 17.605 ( -28.573 -12.706 0.000) 31.271======================= Grid point 19 (12/180) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.142 ( 31.353 32.960 0.000) 45.491 3.700 ( 46.065 0.308 0.000) 46.066 5.999 ( 45.947 3.865 0.000) 46.110 6.305 ( -2.976 20.771 0.000) 20.984 7.551 ( 2.256 -10.360 0.000) 10.602 7.705 ( -0.190 -7.176 0.000) 7.178 8.006 ( 1.796 4.198 0.000) 4.566 8.164 ( -5.309 11.541 0.000) 12.703 9.178 ( 13.138 4.084 0.000) 13.758 9.233 ( -9.643 -2.457 0.000) 9.951 10.074 ( 8.696 -0.039 0.000) 8.696 11.270 ( -1.347 -1.604 0.000) 2.094 12.944 ( 3.721 -17.271 0.000) 17.668 14.100 ( 2.549 20.003 0.000) 20.164 14.491 ( -9.938 -11.629 0.000) 15.297 14.960 ( -4.581 10.087 0.000) 11.078 16.398 ( 6.357 -6.566 0.000) 9.139 17.065 ( -24.231 -11.414 0.000) 26.785======================= Grid point 20 (13/180) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.790 ( 33.327 25.091 0.000) 41.716 4.582 ( 41.789 -3.011 0.000) 41.897 6.132 ( -14.610 18.909 0.000) 23.896 6.592 ( 11.100 1.371 0.000) 11.185 7.619 ( 5.409 -8.658 0.000) 10.209 7.648 ( -1.898 -6.727 0.000) 6.990 8.072 ( 3.155 7.813 0.000) 8.426 8.133 ( 2.872 10.533 0.000) 10.918 9.058 ( -7.003 -0.808 0.000) 7.050 9.352 ( 3.221 3.033 0.000) 4.424 10.333 ( 16.193 -1.189 0.000) 16.237 11.213 ( -4.485 -3.107 0.000) 5.457 13.055 ( 7.880 -12.767 0.000) 15.003 14.197 ( 6.658 13.402 0.000) 14.965 14.245 ( -14.806 -11.794 0.000) 18.929 14.838 ( -7.345 9.402 0.000) 11.931 16.481 ( 2.067 -5.897 0.000) 6.249 16.680 ( -13.926 -9.313 0.000) 16.753======================= Grid point 21 (14/180) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.456 ( 33.163 19.328 0.000) 38.384 5.310 ( 25.483 -4.561 0.000) 25.888 5.777 ( -14.750 17.703 0.000) 23.042 6.505 ( -15.744 -0.536 0.000) 15.753 7.653 ( 1.888 -2.675 0.000) 3.274 7.704 ( 1.693 -3.908 0.000) 4.259 8.137 ( 3.658 5.700 0.000) 6.772 8.229 ( 3.461 5.477 0.000) 6.479 9.010 ( 3.465 2.522 0.000) 4.286 9.322 ( -5.438 3.561 0.000) 6.500 10.655 ( 14.947 -2.784 0.000) 15.204 11.092 ( -7.539 -3.954 0.000) 8.513 13.264 ( 13.064 -10.419 0.000) 16.710 13.915 ( -17.679 -10.627 0.000) 20.627 14.348 ( 8.235 9.142 0.000) 12.304 14.681 ( -8.182 7.505 0.000) 11.103 16.490 ( -0.783 -5.553 0.000) 5.608 16.503 ( -4.449 -7.070 0.000) 8.353======================= Grid point 22 (15/180) =======================q-point: (-0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.088 ( -29.237 14.275 0.000) 32.536 5.088 ( 29.237 14.275 0.000) 32.536 6.071 ( -26.113 0.121 0.000) 26.113 6.071 ( 26.113 0.121 0.000) 26.113 7.696 ( -1.840 -1.694 0.000) 2.501 7.696 ( 1.840 -1.694 0.000) 2.501 8.215 ( -3.592 3.807 0.000) 5.235 8.215 ( 3.592 3.807 0.000) 5.235 9.164 ( -9.564 4.052 0.000) 10.387 9.164 ( 9.564 4.052 0.000) 10.387 10.911 ( -10.813 -3.818 0.000) 11.467 10.911 ( 10.813 -3.818 0.000) 11.467 13.566 ( -16.785 -9.903 0.000) 19.489 13.566 ( 16.785 -9.903 0.000) 19.489 14.515 ( -8.413 7.172 0.000) 11.055 14.515 ( 8.413 7.172 0.000) 11.055 16.471 ( -0.433 -5.796 0.000) 5.812 16.471 ( 0.433 -5.796 0.000) 5.812======================= Grid point 32 (16/180) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 285Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 28.833 28.833 0.000) 40.777 3.004 ( 33.557 33.557 0.000) 47.457 4.030 ( 46.326 46.326 0.000) 65.515 6.594 ( 15.983 15.983 0.000) 22.604 7.077 ( 22.487 22.487 0.000) 31.801 7.333 ( -1.054 -1.054 0.000) 1.490 8.100 ( -12.840 -12.840 0.000) 18.158 8.510 ( 0.303 0.303 0.000) 0.429 8.949 ( 5.992 5.992 0.000) 8.474 9.477 ( -6.105 -6.105 0.000) 8.634 9.945 ( 0.727 0.727 0.000) 1.029 11.262 ( 0.662 0.662 0.000) 0.936 12.595 ( -5.828 -5.828 0.000) 8.242 14.549 ( 5.029 5.029 0.000) 7.112 14.616 ( -7.437 -7.437 0.000) 10.517 15.108 ( 4.276 4.276 0.000) 6.047 15.953 ( 3.219 3.219 0.000) 4.552 17.769 ( -23.581 -23.581 0.000) 33.349======================= Grid point 33 (17/180) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.981 ( 37.772 16.293 0.000) 41.136 3.493 ( 20.730 45.214 0.000) 49.739 5.127 ( 57.011 20.433 0.000) 60.562 6.797 ( 5.742 27.129 0.000) 27.730 7.348 ( 1.862 -4.414 0.000) 4.791 7.549 ( 15.160 6.001 0.000) 16.304 7.901 ( -1.513 -9.642 0.000) 9.760 8.456 ( -4.845 4.531 0.000) 6.633 9.084 ( 8.328 7.802 0.000) 11.412 9.332 ( -8.279 -5.746 0.000) 10.078 9.976 ( 2.711 0.643 0.000) 2.786 11.263 ( -0.780 -0.970 0.000) 1.245 12.572 ( 2.330 -9.691 0.000) 9.967 14.455 ( -8.862 -10.046 0.000) 13.396 14.510 ( -5.567 11.410 0.000) 12.696 15.164 ( 0.998 6.241 0.000) 6.320 16.100 ( 9.387 -3.452 0.000) 10.001 17.252 ( -26.933 -21.777 0.000) 34.635======================= Grid point 34 (18/180) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.769 ( 40.473 7.488 0.000) 41.160 3.920 ( 22.764 40.904 0.000) 46.811 6.143 ( 41.925 11.477 0.000) 43.467 6.806 ( -6.173 26.299 0.000) 27.014 7.388 ( 2.244 -5.529 0.000) 5.967 7.554 ( -3.168 -7.140 0.000) 7.811 8.100 ( 10.721 5.608 0.000) 12.099 8.353 ( -4.479 6.811 0.000) 8.152 9.162 ( -8.151 -4.535 0.000) 9.327 9.288 ( 10.904 6.640 0.000) 12.767 10.074 ( 7.752 -0.041 0.000) 7.752 11.222 ( -3.443 -3.227 0.000) 4.719 12.660 ( 6.211 -10.373 0.000) 12.090 14.256 ( -11.282 -11.861 0.000) 16.370 14.414 ( -3.037 9.281 0.000) 9.765 15.130 ( -4.818 6.083 0.000) 7.760 16.269 ( 6.941 -4.544 0.000) 8.296 16.758 ( -21.097 -18.110 0.000) 27.804======================= Grid point 35 (19/180) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.406 ( 25.819 33.547 0.000) 42.332 4.565 ( 38.742 2.258 0.000) 38.808 6.548 ( -18.365 19.244 0.000) 26.601 6.656 ( 6.997 5.690 0.000) 9.019 7.488 ( 8.893 -3.918 0.000) 9.718 7.567 ( 3.566 0.240 0.000) 3.574 8.223 ( 2.719 7.263 0.000) 7.755 8.309 ( 0.090 6.326 0.000) 6.327 9.042 ( -2.745 -0.515 0.000) 2.792 9.442 ( 3.455 5.970 0.000) 6.898 10.297 ( 13.855 -2.466 0.000) 14.073 11.125 ( -6.182 -5.504 0.000) 8.278 12.818 ( 9.791 -9.963 0.000) 13.968 14.000 ( -14.494 -12.384 0.000) 19.064 14.402 ( 1.674 4.790 0.000) 5.074 14.975 ( -9.998 2.651 0.000) 10.343 16.365 ( 2.694 -4.064 0.000) 4.876 16.451 ( -9.617 -11.936 0.000) 15.328======================= Grid point 36 (20/180) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.936 ( 26.900 26.282 0.000) 37.608 5.275 ( 30.332 1.021 0.000) 30.350 6.142 ( -19.911 17.090 0.000) 26.240 6.515 ( -16.979 2.120 0.000) 17.111 7.647 ( 3.656 3.077 0.000) 4.778 7.652 ( 5.249 -0.562 0.000) 5.279 8.255 ( 1.271 5.782 0.000) 5.920 8.319 ( -0.366 2.687 0.000) 2.712 9.093 ( 7.659 5.818 0.000) 9.618 9.427 ( -4.475 6.872 0.000) 8.200 10.574 ( 13.038 -5.214 0.000) 14.042 10.982 ( -8.089 -6.910 0.000) 10.639 13.052 ( 13.593 -9.981 0.000) 16.864 13.685 ( -16.695 -11.707 0.000) 20.391 14.471 ( 5.016 0.851 0.000) 5.088 14.769 ( -9.881 -0.795 0.000) 9.913 16.350 ( -1.463 -6.505 0.000) 6.668 16.383 ( -0.619 -3.565 0.000) 3.618======================= Grid point 37 (21/180) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.430 ( -18.936 17.695 0.000) 25.917 5.430 ( 18.936 17.695 0.000) 25.917 6.102 ( -20.059 3.669 0.000) 20.392 6.102 ( 20.059 3.669 0.000) 20.392 7.693 ( -0.555 2.069 0.000) 2.142 7.693 ( 0.555 2.069 0.000) 2.142 8.288 ( -2.039 3.068 0.000) 3.683 8.288 ( 2.039 3.068 0.000) 3.683 9.282 ( -9.522 7.696 0.000) 12.243 9.282 ( 9.522 7.696 0.000) 12.243 10.803 ( -10.023 -6.836 0.000) 12.133 10.803 ( 10.023 -6.836 0.000) 12.133 13.352 ( -16.278 -10.679 0.000) 19.468 13.352 ( 16.278 -10.679 0.000) 19.468 14.596 ( -7.477 -1.323 0.000) 7.593 14.596 ( 7.477 -1.323 0.000) 7.593 16.357 ( -1.457 -3.988 0.000) 4.246 16.357 ( 1.457 -3.988 0.000) 4.246======================= Grid point 48 (22/180) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.414 ( 26.637 26.637 0.000) 37.671 4.211 ( 26.690 26.690 0.000) 37.745 5.727 ( 38.049 38.049 0.000) 53.809 7.247 ( 15.772 15.772 0.000) 22.304 7.310 ( 0.027 0.027 0.000) 0.038 7.489 ( -11.555 -11.555 0.000) 16.341 7.956 ( 14.782 14.782 0.000) 20.905 8.481 ( -1.471 -1.471 0.000) 2.081 9.198 ( -7.335 -7.335 0.000) 10.373 9.246 ( 8.773 8.773 0.000) 12.407 10.002 ( 2.124 2.124 0.000) 3.004 11.226 ( -2.932 -2.932 0.000) 4.146 12.480 ( -0.303 -0.303 0.000) 0.429 14.248 ( -10.856 -10.856 0.000) 15.353 14.564 ( -4.133 -4.133 0.000) 5.845 15.241 ( 0.667 0.667 0.000) 0.943 16.129 ( 5.570 5.570 0.000) 7.877 16.790 ( -22.884 -22.884 0.000) 32.363======================= Grid point 49 (23/180) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.013 ( 32.715 16.978 0.000) 36.859 4.643 ( 18.968 29.846 0.000) 35.363 6.482 ( 32.864 22.307 0.000) 39.720 7.145 ( -17.147 1.214 0.000) 17.189 7.332 ( 2.369 -0.428 0.000) 2.407 7.537 ( 9.670 9.916 0.000) 13.850 8.248 ( 11.179 9.342 0.000) 14.569 8.427 ( -3.296 0.667 0.000) 3.362 9.066 ( -4.824 -4.485 0.000) 6.587 9.439 ( 9.949 8.624 0.000) 13.167 10.073 ( 5.462 0.015 0.000) 5.462 11.140 ( -5.773 -5.097 0.000) 7.701 12.532 ( 5.017 -2.829 0.000) 5.760 14.019 ( -12.207 -11.976 0.000) 17.101 14.440 ( -6.430 -5.755 0.000) 8.629 15.154 ( -9.921 -5.167 0.000) 11.186 16.263 ( 6.549 3.694 0.000) 7.519 16.418 ( -12.796 -13.655 0.000) 18.713======================= Grid point 50 (24/180) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.690 ( 34.556 10.497 0.000) 36.115 5.019 ( 19.253 26.134 0.000) 32.461 6.779 ( -19.225 3.225 0.000) 19.494 6.833 ( -0.057 12.043 0.000) 12.043 7.472 ( 12.389 2.086 0.000) 12.563 7.696 ( 6.260 11.479 0.000) 13.075 8.366 ( -2.793 -0.756 0.000) 2.893 8.372 ( 2.043 7.984 0.000) 8.241 9.058 ( 4.940 2.812 0.000) 5.684 9.589 ( 3.990 8.818 0.000) 9.679 10.234 ( 10.429 -3.762 0.000) 11.086 10.999 ( -8.115 -7.006 0.000) 10.721 12.670 ( 8.830 -4.946 0.000) 10.121 13.757 ( -14.089 -11.886 0.000) 18.433 14.347 ( -2.550 -9.678 0.000) 10.008 14.881 ( -15.549 -12.820 0.000) 20.153 16.285 ( -1.691 -3.313 0.000) 3.720 16.363 ( 3.227 3.736 0.000) 4.937======================= Grid point 51 (25/180) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.358 ( 31.104 7.534 0.000) 32.004 5.413 ( 19.872 19.958 0.000) 28.164 6.394 ( -18.518 7.526 0.000) 19.989 6.609 ( -18.812 7.578 0.000) 20.281 7.696 ( 8.016 4.754 0.000) 9.320 7.782 ( 2.307 9.405 0.000) 9.684 8.324 ( -0.967 -2.122 0.000) 2.331 8.368 ( -1.603 5.767 0.000) 5.985 9.243 ( 11.877 9.286 0.000) 15.076 9.592 ( -3.372 9.598 0.000) 10.173 10.453 ( 10.649 -6.797 0.000) 12.633 10.828 ( -8.891 -8.296 0.000) 12.160 12.882 ( 12.327 -6.990 0.000) 14.171 13.461 ( -15.443 -10.707 0.000) 18.792 14.340 ( 1.831 -13.434 0.000) 13.558 14.600 ( -11.789 -16.037 0.000) 19.904 16.302 ( 2.440 2.003 0.000) 3.156 16.390 ( -0.392 4.147 0.000) 4.165======================= Grid point 52 (26/180) =======================q-point: (-0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.730 ( -4.464 12.201 0.000) 12.992 5.730 ( 4.464 12.201 0.000) 12.992 6.223 ( -11.712 7.817 0.000) 14.081 6.223 ( 11.712 7.817 0.000) 14.081 7.788 ( -1.795 7.023 0.000) 7.249 7.788 ( 1.795 7.023 0.000) 7.249 8.332 ( -1.538 1.352 0.000) 2.048 8.332 ( 1.538 1.352 0.000) 2.048 9.464 ( -9.276 10.475 0.000) 13.992 9.464 ( 9.276 10.475 0.000) 13.992 10.649 ( -9.190 -8.339 0.000) 12.410 10.649 ( 9.190 -8.339 0.000) 12.410 13.155 ( -14.841 -8.967 0.000) 17.340 13.155 ( 14.841 -8.967 0.000) 17.340 14.420 ( -6.315 -15.821 0.000) 17.035 14.420 ( 6.315 -15.821 0.000) 17.035 16.357 ( -2.591 3.912 0.000) 4.692 16.357 ( 2.591 3.912 0.000) 4.692======================= Grid point 64 (27/180) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 285Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.434 ( 24.866 24.866 0.000) 35.166 5.109 ( 18.183 18.183 0.000) 25.715 6.958 ( 21.875 21.875 0.000) 30.936 6.996 ( -11.643 -11.643 0.000) 16.466 7.350 ( 2.226 2.226 0.000) 3.148 7.775 ( 9.995 9.995 0.000) 14.135 8.390 ( -4.091 -4.091 0.000) 5.785 8.440 ( 8.237 8.237 0.000) 11.649 9.028 ( 2.161 2.161 0.000) 3.056 9.633 ( 10.364 10.364 0.000) 14.656 10.080 ( 1.085 1.085 0.000) 1.534 11.016 ( -7.371 -7.371 0.000) 10.425 12.529 ( 2.233 2.233 0.000) 3.158 13.778 ( -12.263 -12.263 0.000) 17.343 14.261 ( -10.303 -10.303 0.000) 14.571 14.904 ( -18.526 -18.526 0.000) 26.200 16.272 ( -1.418 -1.418 0.000) 2.006 16.374 ( 6.251 6.251 0.000) 8.840======================= Grid point 65 (28/180) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.983 ( 29.578 18.724 0.000) 35.007 5.424 ( 14.571 15.192 0.000) 21.050 6.736 ( -13.980 -5.801 0.000) 15.136 7.117 ( -7.252 15.871 0.000) 17.450 7.529 ( 15.384 1.714 0.000) 15.479 7.914 ( 4.231 8.497 0.000) 9.492 8.288 ( -5.055 -6.385 0.000) 8.143 8.530 ( 0.575 6.717 0.000) 6.742 9.183 ( 12.732 10.306 0.000) 16.380 9.797 ( 4.441 11.977 0.000) 12.774 10.150 ( 6.664 -4.582 0.000) 8.087 10.849 ( -9.186 -8.036 0.000) 12.204 12.613 ( 6.081 -1.025 0.000) 6.167 13.527 ( -12.943 -11.176 0.000) 17.101 14.082 ( -6.891 -14.968 0.000) 16.478 14.507 ( -19.266 -22.555 0.000) 29.664 16.310 ( 4.012 4.550 0.000) 6.067 16.478 ( 3.680 6.619 0.000) 7.573======================= Grid point 66 (29/180) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.579 ( 28.802 14.583 0.000) 32.284 5.711 ( 14.154 10.410 0.000) 17.570 6.457 ( -13.072 -0.189 0.000) 13.074 6.818 ( -20.701 13.293 0.000) 24.602 7.802 ( 10.330 4.339 0.000) 11.204 7.954 ( 0.112 6.572 0.000) 6.573 8.237 ( 1.064 -6.523 0.000) 6.609 8.475 ( -5.509 4.050 0.000) 6.837 9.468 ( 14.077 13.410 0.000) 19.442 9.806 ( -2.729 11.506 0.000) 11.825 10.317 ( 8.885 -6.164 0.000) 10.813 10.662 ( -9.258 -8.043 0.000) 12.264 12.771 ( 9.780 -4.172 0.000) 10.632 13.262 ( -13.583 -9.186 0.000) 16.398 13.997 ( -1.543 -19.130 0.000) 19.192 14.188 ( -12.136 -23.335 0.000) 26.302 16.400 ( 4.607 6.781 0.000) 8.198 16.513 ( -0.076 7.159 0.000) 7.159======================= Grid point 67 (30/180) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.932 ( -2.303 8.095 0.000) 8.416 5.932 ( 2.303 8.095 0.000) 8.416 6.395 ( -15.243 9.965 0.000) 18.212 6.395 ( 15.243 9.965 0.000) 18.212 7.927 ( -3.048 5.613 0.000) 6.387 7.927 ( 3.048 5.613 0.000) 6.387 8.336 ( -7.496 -1.552 0.000) 7.655 8.336 ( 7.496 -1.552 0.000) 7.655 9.697 ( -8.421 12.655 0.000) 15.201 9.697 ( 8.421 12.655 0.000) 15.201 10.487 ( -8.384 -7.310 0.000) 11.123 10.487 ( 8.384 -7.310 0.000) 11.123 12.997 ( -12.631 -6.867 0.000) 14.377 12.997 ( 12.631 -6.867 0.000) 14.377 14.025 ( -4.502 -22.050 0.000) 22.505 14.025 ( 4.502 -22.050 0.000) 22.505 16.480 ( -3.082 7.376 0.000) 7.994 16.480 ( 3.082 7.376 0.000) 7.994======================= Grid point 80 (31/180) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.422 ( 24.647 24.647 0.000) 34.856 5.667 ( 10.216 10.216 0.000) 14.447 6.586 ( -8.603 -8.603 0.000) 12.167 7.427 ( 3.477 3.477 0.000) 4.917 7.487 ( 4.305 4.305 0.000) 6.089 8.021 ( 2.577 2.577 0.000) 3.644 8.152 ( -6.018 -6.018 0.000) 8.511 8.592 ( -1.129 -1.129 0.000) 1.596 9.457 ( 15.945 15.945 0.000) 22.550 10.045 ( 9.878 9.878 0.000) 13.969 10.064 ( -1.507 -1.507 0.000) 2.131 10.682 ( -8.566 -8.566 0.000) 12.115 12.627 ( 2.530 2.530 0.000) 3.578 13.311 ( -10.656 -10.656 0.000) 15.069 13.809 ( -11.605 -11.605 0.000) 16.412 14.062 ( -20.496 -20.496 0.000) 28.986 16.424 ( 6.183 6.183 0.000) 8.744 16.592 ( 4.368 4.368 0.000) 6.177======================= Grid point 81 (32/180) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.861 ( 9.598 5.567 0.000) 11.095 5.915 ( 21.722 17.520 0.000) 27.907 6.434 ( -3.963 -0.353 0.000) 3.978 7.131 ( -21.389 17.604 0.000) 27.702 7.808 ( 15.927 -5.314 0.000) 16.790 8.032 ( -1.015 1.568 0.000) 1.868 8.086 ( 0.293 -6.994 0.000) 7.000 8.482 ( -9.587 -4.234 0.000) 10.480 9.756 ( 12.665 14.212 0.000) 19.037 9.997 ( -2.539 5.149 0.000) 5.741 10.258 ( 8.297 2.322 0.000) 8.616 10.519 ( -7.495 -5.970 0.000) 9.582 12.718 ( 6.604 -1.042 0.000) 6.685 13.097 ( -10.853 -7.298 0.000) 13.079 13.638 ( -5.364 -15.966 0.000) 16.843 13.735 ( -11.636 -20.824 0.000) 23.855 16.539 ( 5.110 6.603 0.000) 8.349 16.642 ( 0.604 5.259 0.000) 5.294======================= Grid point 82 (33/180) =======================q-point: (-0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.038 ( -6.740 2.617 0.000) 7.230 6.038 ( 6.740 2.617 0.000) 7.230 6.660 ( -23.516 16.932 0.000) 28.978 6.660 ( 23.516 16.932 0.000) 28.978 7.993 ( -3.231 1.284 0.000) 3.477 7.993 ( 3.231 1.284 0.000) 3.477 8.238 ( -13.415 -8.827 0.000) 16.059 8.238 ( 13.415 -8.827 0.000) 16.059 9.932 ( -5.153 9.196 0.000) 10.541 9.932 ( 5.153 9.196 0.000) 10.541 10.390 ( -5.752 -1.326 0.000) 5.903 10.390 ( 5.752 -1.326 0.000) 5.903 12.886 ( -9.950 -4.147 0.000) 10.780 12.886 ( 9.950 -4.147 0.000) 10.780 13.602 ( -2.061 -19.299 0.000) 19.408 13.602 ( 2.061 -19.299 0.000) 19.408 16.619 ( -2.758 6.125 0.000) 6.717 16.619 ( 2.758 6.125 0.000) 6.717======================= Grid point 96 (34/180) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 285Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.960 ( 4.830 4.830 0.000) 6.831 6.122 ( 0.726 0.726 0.000) 1.027 6.594 ( 18.716 18.716 0.000) 26.469 7.413 ( -2.325 -2.325 0.000) 3.289 7.648 ( 3.215 3.215 0.000) 4.546 8.011 ( -1.102 -1.102 0.000) 1.558 8.034 ( -1.044 -1.044 0.000) 1.476 8.301 ( -13.438 -13.438 0.000) 19.004 9.973 ( 6.324 6.324 0.000) 8.944 10.018 ( -0.384 -0.384 0.000) 0.543 10.377 ( 6.212 6.212 0.000) 8.785 10.445 ( -1.056 -1.056 0.000) 1.494 12.737 ( 3.144 3.144 0.000) 4.446 12.966 ( -6.249 -6.249 0.000) 8.838 13.384 ( -9.165 -9.165 0.000) 12.961 13.400 ( -11.859 -11.859 0.000) 16.771 16.651 ( 4.491 4.491 0.000) 6.351 16.713 ( 1.762 1.762 0.000) 2.491======================= Grid point 97 (35/180) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.059 ( -4.876 0.070 0.000) 4.876 6.059 ( 4.876 0.070 0.000) 4.876 7.046 ( -23.693 20.651 0.000) 31.430 7.046 ( 23.693 20.651 0.000) 31.430 7.961 ( -16.095 -11.505 0.000) 19.784 7.961 ( 16.095 -11.505 0.000) 19.784 8.021 ( -3.559 -4.772 0.000) 5.953 8.021 ( 3.559 -4.772 0.000) 5.953 10.019 ( -0.087 0.607 0.000) 0.613 10.019 ( 0.087 0.607 0.000) 0.613 10.445 ( -0.657 5.019 0.000) 5.062 10.445 ( 0.657 5.019 0.000) 5.062 12.837 ( -6.370 -0.746 0.000) 6.414 12.837 ( 6.370 -0.746 0.000) 6.414 13.286 ( -0.198 -11.871 0.000) 11.873 13.286 ( 0.198 -11.871 0.000) 11.873 16.713 ( -1.637 3.202 0.000) 3.596 16.713 ( 1.637 3.202 0.000) 3.596======================= Grid point 119 (36/180) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.058 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 0.000 0.000) 0.000 7.715 ( 0.000 0.000 0.000) 0.000 7.715 ( 0.000 0.000 0.000) 0.000 8.003 ( 0.000 0.000 0.000) 0.000 8.003 ( 0.000 0.000 0.000) 0.000 10.018 ( 0.000 0.000 0.000) 0.000 10.018 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000 12.838 ( 0.000 0.000 0.000) 0.000 12.838 ( 0.000 0.000 0.000) 0.000 13.159 ( -0.000 -0.000 0.000) 0.000 13.159 ( 0.000 0.000 0.000) 0.000 16.745 ( 0.000 0.000 0.000) 0.000 16.745 ( 0.000 0.000 0.000) 0.000======================= Grid point 225 (37/180) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( 0.000 0.000 42.612) 42.612 0.921 ( 0.000 0.000 42.612) 42.612 1.569 ( 0.000 0.000 73.210) 73.210 5.766 ( -0.000 0.000 -7.307) 7.307 5.766 ( 0.000 0.000 -7.307) 7.307 7.458 ( 0.000 -0.000 4.577) 4.577 7.458 ( 0.000 0.000 4.577) 4.577 8.677 ( 0.000 -0.000 -3.992) 3.992 8.677 ( 0.000 0.000 -3.992) 3.992 9.710 ( 0.000 0.000 -2.815) 2.815 11.034 ( 0.000 0.000 -13.365) 13.365 12.395 ( 0.000 0.000 2.536) 2.536 13.358 ( 0.000 0.000 0.700) 0.700 13.358 ( 0.000 0.000 0.700) 0.700 13.770 ( 0.000 0.000 0.322) 0.322 14.896 ( 0.000 0.000 -0.770) 0.770 14.896 ( 0.000 0.000 -0.770) 0.770 18.967 ( -0.000 0.000 1.689) 1.689======================= Grid point 226 (38/180) =======================q-point: ( 0.07 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( 18.852 0.000 33.791) 38.694 1.367 ( 26.161 0.000 38.026) 46.156 2.213 ( 62.080 0.000 41.679) 74.773 5.804 ( 3.685 0.000 -6.921) 7.841 6.041 ( 25.407 0.000 -6.936) 26.337 7.482 ( 2.250 0.000 3.785) 4.403 7.879 ( 21.227 0.000 -18.608) 28.228 8.621 ( -5.599 0.000 -3.549) 6.629 8.695 ( 1.683 0.000 -3.894) 4.242 9.536 ( -14.926 0.000 -4.659) 15.637 10.780 ( -24.816 0.000 22.602) 33.566 11.241 ( -12.104 0.000 14.932) 19.222 13.390 ( 3.153 0.000 0.719) 3.234 13.660 ( -6.494 0.000 -2.592) 6.992 14.848 ( 9.278 0.000 -9.836) 13.521 14.891 ( -0.487 0.000 -0.626) 0.793 15.189 ( 48.769 0.000 -35.064) 60.065 18.772 ( -16.727 0.000 4.956) 17.446======================= Grid point 227 (39/180) =======================q-point: ( 0.14 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( 27.732 0.000 21.578) 35.138 1.975 ( 36.080 0.000 21.726) 42.116 3.607 ( 71.755 0.000 20.983) 74.760 5.903 ( 5.823 0.000 -5.813) 8.228 6.673 ( 34.972 0.000 -6.998) 35.665 7.539 ( 3.152 0.000 1.311) 3.413 8.111 ( 4.024 0.000 -12.123) 12.773 8.461 ( -10.092 0.000 -2.056) 10.299 8.743 ( 3.494 0.000 -1.581) 3.835 9.247 ( -12.407 0.000 -14.294) 18.928 10.508 ( -5.464 0.000 28.895) 29.407 11.191 ( 0.682 0.000 -2.236) 2.338 13.483 ( 6.115 0.000 0.787) 6.165 13.493 ( -9.372 0.000 -1.063) 9.432 14.876 ( -1.102 0.000 -0.231) 1.126 14.899 ( 0.487 0.000 0.613) 0.783 15.849 ( 21.719 0.000 -20.828) 30.092 18.348 ( -25.237 0.000 5.115) 25.750======================= Grid point 228 (40/180) =======================q-point: ( 0.21 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.202 ( 32.062 0.000 13.262) 34.697 2.777 ( 43.186 0.000 6.234) 43.634 4.959 ( 62.125 0.000 11.834) 63.242 6.015 ( 4.730 0.000 -4.163) 6.302 7.313 ( 26.515 0.000 -8.606) 27.877 7.592 ( 1.793 0.000 -3.162) 3.634 8.101 ( -3.844 0.000 -3.652) 5.302 8.237 ( -11.724 0.000 1.019) 11.768 8.872 ( 10.289 0.000 0.393) 10.297 9.054 ( -6.901 0.000 -20.228) 21.373 10.461 ( -0.294 0.000 28.264) 28.266 11.214 ( 1.230 0.000 -4.469) 4.635 13.316 ( -7.792 0.000 -0.053) 7.792 13.630 ( 8.604 0.000 0.922) 8.653 14.846 ( -1.987 0.000 0.309) 2.011 14.872 ( -3.667 0.000 3.587) 5.130 16.186 ( 13.240 0.000 -11.384) 17.461 17.800 ( -28.524 0.000 5.737) 29.095======================= Grid point 229 (41/180) =======================q-point: ( 0.29 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( 34.510 0.000 7.856) 35.392 3.655 ( 44.058 0.000 -3.576) 44.202 6.006 ( 40.524 0.000 1.960) 40.571 6.055 ( -1.784 0.000 -2.453) 3.033 7.598 ( -1.186 0.000 -8.674) 8.755 7.681 ( 11.552 0.000 -8.759) 14.497 8.018 ( -2.754 0.000 1.711) 3.242 8.027 ( -8.579 0.000 5.242) 10.054 8.925 ( -3.733 0.000 -16.271) 16.694 9.185 ( 16.729 0.000 0.434) 16.734 10.486 ( 3.081 0.000 27.367) 27.540 11.228 ( -0.046 0.000 -4.781) 4.781 13.206 ( -2.655 0.000 0.315) 2.674 13.820 ( 10.274 0.000 1.125) 10.335 14.735 ( -10.454 0.000 4.951) 11.567 14.794 ( -3.264 0.000 0.861) 3.376 16.396 ( 8.024 0.000 -6.626) 10.406 17.264 ( -24.057 0.000 7.188) 25.108======================= Grid point 230 (42/180) =======================q-point: ( 0.36 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.567 ( 35.489 0.000 4.252) 35.743 4.505 ( 40.730 0.000 -9.993) 41.938 5.905 ( -13.857 0.000 -1.444) 13.932 6.471 ( 5.439 0.000 -11.220) 12.469 7.574 ( -0.179 0.000 -9.389) 9.391 7.884 ( 10.265 0.000 -4.309) 11.133 7.898 ( -4.973 0.000 5.586) 7.479 8.026 ( 3.492 0.000 2.136) 4.094 8.894 ( 1.671 0.000 -5.921) 6.152 9.453 ( 7.912 0.000 5.115) 9.421 10.598 ( 8.199 0.000 20.646) 22.214 11.203 ( -2.642 0.000 -3.616) 4.478 13.227 ( 4.947 0.000 0.447) 4.967 14.032 ( 10.850 0.000 1.357) 10.935 14.456 ( -17.120 0.000 4.595) 17.726 14.713 ( -4.959 0.000 1.307) 5.128 16.511 ( 3.709 0.000 -2.816) 4.657 16.877 ( -14.407 0.000 8.543) 16.750======================= Grid point 231 (43/180) =======================q-point: ( 0.43 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.271 ( 34.751 0.000 1.800) 34.797 5.260 ( 34.730 0.000 -14.321) 37.567 5.510 ( -25.082 0.000 -0.865) 25.096 6.325 ( -16.792 0.000 -16.793) 23.748 7.610 ( 3.699 0.000 -5.766) 6.850 7.804 ( -4.816 0.000 2.277) 5.327 8.028 ( 4.725 0.000 -3.511) 5.887 8.121 ( 2.949 0.000 -3.277) 4.408 9.031 ( 11.772 0.000 7.904) 14.179 9.477 ( -4.900 0.000 11.620) 12.611 10.791 ( 10.262 0.000 10.127) 14.418 11.120 ( -5.640 0.000 -1.075) 5.741 13.403 ( 12.458 0.000 0.994) 12.497 14.082 ( -19.534 0.000 3.350) 19.819 14.245 ( 10.298 0.000 1.555) 10.414 14.595 ( -6.929 0.000 1.575) 7.105 16.558 ( 1.563 0.000 1.434) 2.121 16.678 ( -6.313 0.000 7.959) 10.159======================= Grid point 232 (44/180) =======================q-point: (-0.50 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.937 ( -31.679 0.000 0.143) 31.680 4.937 ( 31.679 0.000 0.143) 31.680 5.879 ( -27.125 0.000 -16.768) 31.889 5.879 ( 27.125 0.000 -16.768) 31.889 7.703 ( -5.181 0.000 -1.662) 5.441 7.703 ( 5.181 0.000 -1.662) 5.441 8.109 ( -3.128 0.000 -4.522) 5.499 8.109 ( 3.128 0.000 -4.522) 5.499 9.293 ( -12.596 0.000 13.332) 18.341 9.293 ( 12.596 0.000 13.332) 18.341 10.980 ( -8.385 0.000 2.996) 8.904 10.980 ( 8.385 0.000 2.996) 8.904 13.707 ( -17.576 0.000 2.044) 17.694 13.707 ( 17.576 0.000 2.044) 17.694 14.437 ( -8.853 0.000 1.647) 9.005 14.437 ( 8.853 0.000 1.647) 9.005 16.595 ( -2.608 0.000 5.346) 5.949 16.595 ( 2.608 0.000 5.346) 5.949======================= Grid point 241 (45/180) =======================q-point: ( 0.07 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( 20.194 20.194 26.959) 39.273 1.836 ( 33.412 33.412 23.196) 52.638 2.514 ( 38.960 38.960 35.664) 65.633 5.972 ( 9.844 9.844 -7.651) 15.886 6.167 ( 18.108 18.108 -5.786) 26.254 7.439 ( -0.747 -0.747 5.258) 5.363 8.093 ( 12.613 12.613 -18.883) 25.976 8.540 ( -7.065 -7.065 -2.682) 10.345 8.730 ( 2.726 2.726 -4.139) 5.657 9.418 ( -10.128 -10.128 -8.025) 16.418 10.623 ( -10.394 -10.394 29.414) 32.883 11.197 ( -1.563 -1.563 3.109) 3.815 12.970 ( -11.205 -11.205 1.903) 15.960 14.181 ( 12.136 12.136 -0.499) 17.170 14.827 ( -3.531 -3.531 -0.724) 5.046 14.918 ( 5.127 5.127 -6.331) 9.626 15.400 ( 18.851 18.851 -29.748) 39.946 18.613 ( -15.019 -15.019 5.121) 21.848======================= Grid point 242 (46/180) =======================q-point: ( 0.14 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 32.854 17.090 13.155) 39.300 2.306 ( 21.042 43.684 20.888) 52.796 3.693 ( 67.653 10.210 18.414) 70.854 6.114 ( 6.526 18.733 -6.617) 20.911 6.734 ( 33.201 7.209 -6.486) 34.588 7.464 ( 2.674 -4.248 4.675) 6.859 8.241 ( 2.206 7.302 -10.852) 13.265 8.361 ( -10.179 -7.064 -1.670) 12.502 8.798 ( 4.275 4.419 -3.353) 7.003 9.205 ( -10.073 -4.002 -15.986) 19.314 10.484 ( -3.815 -2.159 28.606) 28.940 11.192 ( 0.579 0.120 -3.120) 3.176 12.886 ( -0.081 -21.554 2.118) 21.658 14.192 ( -5.124 29.481 -1.435) 29.958 14.751 ( -4.057 -6.898 -0.434) 8.015 15.014 ( 3.618 5.819 0.536) 6.873 15.794 ( 18.415 -3.552 -17.510) 25.658 18.209 ( -24.645 -13.587 5.130) 28.606======================= Grid point 243 (47/180) =======================q-point: ( 0.21 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.652 ( 29.960 34.612 8.195) 46.506 2.846 ( 36.133 12.376 8.960) 39.231 4.991 ( 60.065 4.097 9.157) 60.897 6.240 ( 5.548 20.380 -4.292) 21.554 7.322 ( 21.302 1.116 -8.625) 23.009 7.531 ( 4.669 -2.883 1.596) 5.715 8.141 ( -8.984 -8.686 2.210) 12.690 8.233 ( -3.916 9.869 -5.372) 11.899 8.924 ( 8.443 4.353 -2.634) 9.858 9.041 ( -5.396 -1.208 -18.909) 19.701 10.447 ( -0.248 -1.329 28.075) 28.108 11.206 ( 0.586 -0.745 -5.088) 5.175 12.911 ( 1.978 -21.210 1.986) 21.394 14.099 ( -2.890 26.731 -0.853) 26.900 14.657 ( -5.676 -10.160 0.552) 11.651 15.051 ( -0.123 9.008 3.341) 9.608 16.109 ( 13.244 -6.579 -10.507) 18.141 17.672 ( -27.986 -12.581 5.855) 31.238======================= Grid point 244 (48/180) =======================q-point: ( 0.29 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.228 ( 29.571 32.939 7.696) 44.929 3.655 ( 42.239 0.981 -3.014) 42.358 5.981 ( 34.540 1.702 -2.715) 34.688 6.316 ( 3.007 20.455 0.093) 20.675 7.481 ( 0.441 -7.476 -5.577) 9.337 7.665 ( 4.699 -2.555 -3.742) 6.528 8.038 ( -0.947 1.497 2.975) 3.462 8.148 ( -3.577 9.691 -1.487) 10.437 8.916 ( -3.494 -0.929 -16.103) 16.504 9.217 ( 15.796 3.007 -0.074) 16.080 10.471 ( 2.938 -1.484 26.899) 27.099 11.206 ( -0.789 -2.122 -5.342) 5.802 12.961 ( 3.455 -16.542 1.608) 16.975 14.099 ( 2.899 19.367 -0.119) 19.583 14.512 ( -9.229 -12.526 1.816) 15.665 15.002 ( -4.878 10.784 3.808) 12.433 16.323 ( 8.199 -6.597 -6.579) 12.411 17.149 ( -23.205 -11.164 7.366) 26.784======================= Grid point 245 (49/180) =======================q-point: ( 0.36 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.841 ( 31.775 25.523 4.682) 41.024 4.478 ( 39.575 -1.546 -8.653) 40.539 6.092 ( -12.660 16.595 -3.497) 21.164 6.494 ( 3.341 2.802 -9.919) 10.835 7.490 ( 1.886 -6.606 -7.392) 10.092 7.742 ( 3.340 -5.604 3.787) 7.544 8.055 ( 1.947 7.551 -1.234) 7.895 8.130 ( 2.056 8.265 -0.696) 8.545 8.898 ( 2.805 0.458 -5.448) 6.144 9.474 ( 7.799 2.048 4.705) 9.336 10.577 ( 7.772 -2.069 20.182) 21.726 11.168 ( -3.143 -3.360 -3.913) 6.040 13.068 ( 7.759 -12.262 1.210) 14.561 14.201 ( 6.708 12.511 0.428) 14.202 14.276 ( -14.365 -12.506 2.750) 19.244 14.868 ( -8.012 9.876 2.721) 13.005 16.440 ( 3.816 -6.411 -3.085) 8.073 16.783 ( -13.263 -8.931 8.699) 18.203======================= Grid point 246 (50/180) =======================q-point: ( 0.43 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.481 ( 32.050 19.762 2.263) 37.721 5.192 ( 29.238 -2.985 -10.730) 31.288 5.733 ( -19.396 17.842 -3.112) 26.537 6.332 ( -16.944 0.958 -15.436) 22.941 7.565 ( 5.059 -3.632 -5.708) 8.448 7.750 ( -2.419 -3.433 1.771) 4.558 8.101 ( 2.570 5.698 -3.103) 6.978 8.181 ( 0.970 4.732 -4.160) 6.375 9.058 ( 12.593 2.818 7.751) 15.054 9.502 ( -4.528 2.435 10.965) 12.111 10.761 ( 9.775 -3.021 10.000) 14.307 11.080 ( -5.718 -3.938 -1.087) 7.028 13.279 ( 13.295 -10.236 1.301) 16.829 13.944 ( -17.989 -11.221 2.595) 21.360 14.358 ( 8.451 8.602 0.912) 12.093 14.701 ( -8.540 7.495 1.763) 11.498 16.490 ( 1.681 -6.210 1.206) 6.545 16.604 ( -5.586 -6.817 7.831) 11.790======================= Grid point 247 (51/180) =======================q-point: (-0.50 0.07 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.093 ( -28.145 14.512 0.410) 31.669 5.093 ( 28.145 14.512 0.410) 31.669 5.896 ( -25.162 2.084 -15.146) 29.443 5.896 ( 25.162 2.084 -15.146) 29.443 7.670 ( -5.087 -2.408 -2.212) 6.048 7.670 ( 5.087 -2.408 -2.212) 6.048 8.156 ( -2.663 3.930 -4.486) 6.531 8.156 ( 2.663 3.930 -4.486) 6.531 9.325 ( -12.352 3.155 12.617) 17.937 9.325 ( 12.352 3.155 12.617) 17.937 10.942 ( -8.108 -3.761 3.065) 9.449 10.942 ( 8.108 -3.761 3.065) 9.449 13.587 ( -17.204 -10.083 1.904) 20.032 13.587 ( 17.204 -10.083 1.904) 20.032 14.530 ( -8.628 6.821 1.289) 11.073 14.530 ( 8.628 6.821 1.289) 11.073 16.528 ( -2.536 -6.060 5.115) 8.325 16.528 ( 2.536 -6.060 5.115) 8.325======================= Grid point 257 (52/180) =======================q-point: ( 0.14 0.14 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.382 ( 25.441 25.441 8.356) 36.937 3.173 ( 32.196 32.196 15.345) 48.048 4.168 ( 41.400 41.400 11.006) 59.573 6.480 ( 14.369 14.369 -10.008) 22.652 7.031 ( 22.812 22.812 -4.035) 32.513 7.429 ( 0.780 0.780 8.380) 8.453 8.115 ( -11.769 -11.769 1.214) 16.688 8.402 ( 2.974 2.974 -8.932) 9.873 8.900 ( 5.845 5.845 -4.597) 9.459 9.102 ( -5.951 -5.951 -19.022) 20.801 10.438 ( -2.032 -2.032 27.984) 28.131 11.193 ( -0.145 -0.145 -5.057) 5.061 12.628 ( -5.652 -5.652 2.955) 8.523 14.540 ( 4.942 4.942 -0.796) 7.034 14.611 ( -7.251 -7.251 -0.515) 10.267 15.126 ( 5.556 5.556 1.266) 7.959 15.808 ( 6.142 6.142 -12.040) 14.847 17.832 ( -23.351 -23.351 5.415) 33.464======================= Grid point 258 (53/180) =======================q-point: ( 0.21 0.14 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( 34.929 15.782 2.178) 38.390 3.628 ( 18.656 44.811 12.220) 50.054 5.177 ( 52.692 16.456 3.288) 55.300 6.692 ( 7.830 20.986 -9.266) 24.240 7.395 ( 4.755 7.325 2.414) 9.061 7.541 ( 10.550 3.582 0.963) 11.183 7.937 ( -1.212 -10.158 3.382) 10.774 8.398 ( -2.838 5.520 -5.146) 8.063 8.975 ( -4.708 -1.567 -18.378) 19.036 9.055 ( 8.688 4.956 -5.087) 11.221 10.412 ( -0.422 -1.987 27.332) 27.408 11.182 ( -1.051 -1.743 -6.634) 6.939 12.604 ( 2.170 -9.439 2.945) 10.123 14.453 ( -8.457 -10.263 -0.182) 13.300 14.501 ( -5.539 11.705 -0.844) 12.976 15.209 ( 1.903 6.616 3.926) 7.925 15.996 ( 10.782 -2.851 -9.013) 14.339 17.325 ( -26.152 -21.295 6.374) 34.322======================= Grid point 259 (54/180) =======================q-point: ( 0.29 0.14 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.733 ( 38.322 8.174 -2.594) 39.270 4.015 ( 20.962 41.386 8.640) 47.190 6.084 ( 34.917 9.118 -6.119) 36.603 6.771 ( -1.451 22.090 -4.303) 22.552 7.371 ( -4.149 -3.591 -0.303) 5.496 7.609 ( 2.578 -1.363 4.265) 5.167 8.094 ( 9.196 4.681 -0.067) 10.319 8.323 ( -3.710 6.806 -2.952) 8.295 8.893 ( -2.438 -1.153 -14.861) 15.104 9.296 ( 14.086 4.785 -1.578) 14.960 10.428 ( 2.278 -2.791 25.292) 25.547 11.147 ( -2.616 -3.793 -6.596) 8.047 12.687 ( 5.837 -10.152 2.448) 11.963 14.263 ( -10.801 -12.379 0.626) 16.440 14.408 ( -2.867 9.345 -0.597) 9.793 15.178 ( -5.357 6.116 4.299) 9.197 16.187 ( 7.908 -5.278 -6.969) 11.788 16.852 ( -19.758 -17.194 8.141) 27.428======================= Grid point 260 (55/180) =======================q-point: ( 0.36 0.14 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.443 ( 27.326 21.673 0.145) 34.878 4.519 ( 34.372 16.477 -0.429) 38.119 6.426 ( -3.768 13.351 -11.165) 17.807 6.630 ( -9.306 11.892 -2.735) 15.346 7.365 ( 4.722 -5.165 -6.658) 9.659 7.697 ( 4.291 1.767 6.815) 8.245 8.205 ( 2.330 7.789 -1.995) 8.371 8.276 ( -0.908 5.283 -3.158) 6.222 8.921 ( 6.393 2.147 -3.915) 7.798 9.534 ( 7.760 3.916 3.334) 9.310 10.514 ( 6.484 -4.237 18.588) 20.137 11.076 ( -4.436 -5.640 -4.426) 8.430 12.837 ( 9.450 -9.859 1.758) 13.769 14.015 ( -14.218 -13.025 1.345) 19.329 14.399 ( 1.866 4.646 -0.253) 5.013 15.006 ( -10.953 2.368 2.761) 11.541 16.304 ( 3.918 -5.730 -3.973) 7.998 16.569 ( -8.904 -10.690 9.098) 16.624======================= Grid point 261 (56/180) =======================q-point: ( 0.43 0.14 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.961 ( 26.014 24.683 1.696) 35.901 5.199 ( 30.541 5.033 -5.972) 31.524 6.113 ( -20.137 18.072 -3.237) 27.250 6.384 ( -17.442 4.964 -10.722) 21.067 7.508 ( 7.936 -1.185 -7.432) 10.938 7.724 ( -1.624 1.629 1.494) 2.743 8.219 ( 0.187 5.873 -3.101) 6.644 8.262 ( -1.191 2.771 -4.732) 5.611 9.145 ( 14.377 5.900 7.016) 17.051 9.574 ( -3.461 4.809 9.025) 10.796 10.672 ( 8.570 -5.877 9.377) 13.997 10.971 ( -6.079 -6.713 -0.932) 9.105 13.067 ( 13.521 -10.092 1.372) 16.928 13.703 ( -16.722 -12.273 1.567) 20.802 14.472 ( 5.267 0.597 0.152) 5.303 14.785 ( -10.444 -1.079 1.418) 10.595 16.359 ( 2.190 -5.246 0.780) 5.738 16.459 ( -3.341 -5.958 6.914) 9.719======================= Grid point 262 (57/180) =======================q-point: (-0.50 0.14 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.432 ( -16.299 16.972 -0.224) 23.532 5.432 ( 16.299 16.972 -0.224) 23.532 5.989 ( -17.067 7.893 -9.437) 21.039 5.989 ( 17.067 7.893 -9.437) 21.039 7.647 ( -5.722 0.908 -3.899) 6.983 7.647 ( 5.722 0.908 -3.899) 6.983 8.233 ( -1.268 3.365 -4.235) 5.556 8.233 ( 1.268 3.365 -4.235) 5.556 9.417 ( -11.628 6.085 10.570) 16.851 9.417 ( 11.628 6.085 10.570) 16.851 10.835 ( -7.583 -6.792 3.200) 10.671 10.835 ( 7.583 -6.792 3.200) 10.671 13.368 ( -16.380 -11.039 1.421) 19.803 13.368 ( 16.380 -11.039 1.421) 19.803 14.603 ( -7.816 -1.599 0.666) 8.006 14.603 ( 7.816 -1.599 0.666) 8.006 16.404 ( -2.414 -4.706 4.254) 6.788 16.404 ( 2.414 -4.706 4.254) 6.788======================= Grid point 273 (58/180) =======================q-point: ( 0.21 0.21 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.410 ( 25.584 25.584 0.174) 36.182 4.341 ( 25.940 25.940 11.949) 38.582 5.695 ( 34.035 34.035 -4.077) 48.305 6.988 ( 9.423 9.423 -14.393) 19.615 7.524 ( -9.574 -9.574 3.285) 13.933 7.557 ( 6.401 6.401 13.276) 16.069 7.944 ( 14.526 14.526 -0.661) 20.554 8.444 ( -0.553 -0.553 -3.569) 3.654 8.920 ( -3.086 -3.086 -16.880) 17.435 9.193 ( 8.740 8.740 -5.014) 13.339 10.376 ( -1.418 -1.418 25.620) 25.698 11.135 ( -3.047 -3.047 -7.899) 8.998 12.513 ( -0.451 -0.451 3.014) 3.081 14.244 ( -10.795 -10.795 -0.331) 15.270 14.560 ( -3.993 -3.993 -0.369) 5.659 15.294 ( 0.770 0.770 4.523) 4.652 16.029 ( 5.383 5.383 -8.654) 11.525 16.879 ( -21.558 -21.558 7.766) 31.461======================= Grid point 274 (59/180) =======================q-point: ( 0.29 0.21 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.986 ( 31.506 17.240 -2.076) 35.974 4.750 ( 17.756 30.249 9.870) 36.438 6.365 ( 28.387 18.910 -11.162) 35.889 7.087 ( -2.131 9.335 -8.850) 13.039 7.276 ( -9.311 -7.109 2.152) 11.911 7.695 ( 7.115 9.353 10.728) 15.911 8.248 ( 11.842 10.782 -0.230) 16.017 8.398 ( -3.418 0.722 -2.587) 4.347 8.882 ( 0.457 0.508 -11.168) 11.188 9.409 ( 12.483 6.865 -3.589) 14.691 10.365 ( 0.545 -3.402 22.195) 22.460 11.059 ( -4.573 -4.904 -7.208) 9.845 12.559 ( 4.600 -2.980 2.489) 6.019 14.018 ( -11.966 -12.225 -0.037) 17.107 14.438 ( -6.390 -5.515 -0.217) 8.443 15.195 ( -10.974 -5.917 3.623) 12.983 16.155 ( 6.221 2.006 -7.943) 10.287 16.543 ( -10.825 -11.492 9.600) 18.477======================= Grid point 275 (60/180) =======================q-point: ( 0.36 0.21 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.635 ( 32.870 11.761 -4.541) 35.205 5.108 ( 18.831 26.673 8.116) 33.644 6.661 ( -1.284 12.472 -14.354) 19.059 6.837 ( -16.479 5.002 3.735) 17.621 7.318 ( 9.703 1.297 -9.921) 13.938 7.814 ( 3.663 8.778 6.935) 11.771 8.320 ( -3.286 -0.912 -3.794) 5.102 8.380 ( 0.964 9.884 -0.796) 9.963 8.996 ( 11.673 5.810 -1.564) 13.132 9.632 ( 8.112 6.199 0.908) 10.250 10.411 ( 4.326 -6.021 15.627) 17.297 10.953 ( -5.982 -6.486 -4.108) 9.733 12.689 ( 8.361 -5.147 1.652) 9.956 13.762 ( -13.894 -12.345 0.384) 18.590 14.345 ( -2.506 -9.502 -0.141) 9.828 14.903 ( -16.308 -13.315 1.951) 21.144 16.257 ( 4.073 1.296 -3.499) 5.524 16.435 ( -1.687 -1.745 7.433) 7.819======================= Grid point 276 (61/180) =======================q-point: ( 0.43 0.21 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.263 ( 29.111 10.322 -6.689) 31.603 5.505 ( 20.286 19.286 6.793) 28.803 6.392 ( -18.861 10.308 -4.593) 21.979 6.527 ( -17.197 7.805 -2.777) 19.088 7.543 ( 10.965 4.895 -10.517) 15.962 7.823 ( -2.566 7.533 0.601) 7.980 8.272 ( -1.074 -1.155 -3.403) 3.750 8.344 ( -3.363 6.060 -3.364) 7.704 9.293 ( 15.863 9.043 5.690) 19.126 9.694 ( -1.990 7.300 6.174) 9.766 10.532 ( 7.265 -7.926 7.890) 13.336 10.824 ( -6.913 -7.753 -0.172) 10.389 12.893 ( 12.061 -7.314 0.968) 14.138 13.467 ( -15.392 -11.226 0.605) 19.060 14.341 ( 1.983 -13.381 0.032) 13.527 14.610 ( -12.206 -16.238 0.974) 20.337 16.328 ( 3.242 2.346 0.942) 4.111 16.417 ( -0.926 1.937 3.935) 4.483======================= Grid point 277 (62/180) =======================q-point: (-0.50 0.21 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.717 ( -10.450 12.169 -2.147) 16.183 5.717 ( 10.450 12.169 -2.147) 16.183 6.191 ( -9.265 10.551 -1.583) 14.131 6.191 ( 9.265 10.551 -1.583) 14.131 7.725 ( -7.072 6.725 -5.851) 11.379 7.725 ( 7.072 6.725 -5.851) 11.379 8.283 ( -2.137 1.564 -3.737) 4.580 8.283 ( 2.137 1.564 -3.737) 4.580 9.565 ( -10.565 8.756 7.792) 15.779 9.565 ( 10.565 8.756 7.792) 15.779 10.681 ( -7.437 -8.381 3.282) 11.676 10.681 ( 7.437 -8.381 3.282) 11.676 13.163 ( -14.775 -9.424 0.685) 17.538 13.163 ( 14.775 -9.424 0.685) 17.538 14.425 ( -6.584 -15.887 0.394) 17.202 14.425 ( 6.584 -15.887 0.394) 17.202 16.385 ( -2.317 2.819 2.556) 4.455 16.385 ( 2.317 2.819 2.556) 4.455======================= Grid point 289 (63/180) =======================q-point: ( 0.29 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.409 ( 24.688 24.688 -2.147) 34.980 5.213 ( 17.590 17.590 9.657) 26.685 6.771 ( 18.786 18.786 -16.425) 31.235 7.066 ( -11.321 -11.321 6.481) 17.272 7.234 ( 4.517 4.517 -9.587) 11.520 7.875 ( 7.529 7.529 8.006) 13.322 8.345 ( -3.952 -3.952 -3.869) 6.798 8.490 ( 9.448 9.448 3.381) 13.783 8.939 ( 6.286 6.286 -5.543) 10.477 9.584 ( 10.614 10.614 -4.511) 15.674 10.303 ( -2.501 -2.501 17.850) 18.197 10.951 ( -5.942 -5.942 -5.736) 10.174 12.551 ( 1.819 1.819 1.965) 3.237 13.775 ( -12.318 -12.318 -0.288) 17.423 14.262 ( -10.217 -10.217 0.088) 14.450 14.929 ( -19.256 -19.256 2.176) 27.319 16.234 ( 4.951 4.951 -5.107) 8.666 16.438 ( -0.008 -0.008 7.389) 7.389======================= Grid point 290 (64/180) =======================q-point: ( 0.36 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.948 ( 28.777 19.425 -3.029) 34.851 5.515 ( 13.994 14.775 8.403) 22.017 6.805 ( -14.428 -5.493 5.862) 16.514 6.949 ( -3.584 14.824 -14.785) 21.241 7.388 ( 12.666 3.437 -10.580) 16.858 7.979 ( 2.462 6.784 4.904) 8.725 8.252 ( -4.203 -5.260 -2.470) 7.172 8.566 ( -2.027 6.955 0.230) 7.248 9.172 ( 16.320 12.245 0.861) 20.421 9.792 ( 8.490 9.961 -1.886) 13.224 10.286 ( 1.469 -6.123 12.321) 13.837 10.821 ( -7.130 -6.811 -2.349) 10.136 12.625 ( 5.563 -1.426 1.096) 5.847 13.524 ( -12.931 -11.504 -0.306) 17.310 14.084 ( -6.922 -14.875 0.122) 16.407 14.520 ( -19.694 -22.922 1.220) 30.245 16.334 ( 4.962 5.584 -0.316) 7.477 16.476 ( 2.415 4.426 2.330) 5.554======================= Grid point 291 (65/180) =======================q-point: ( 0.43 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.523 ( 27.729 16.053 -4.510) 32.356 5.796 ( 14.056 9.898 7.313) 18.682 6.507 ( -14.726 0.186 3.763) 15.200 6.710 ( -17.780 12.494 -8.677) 23.399 7.667 ( 13.363 5.690 -10.852) 18.130 7.971 ( -2.787 6.212 0.437) 6.822 8.212 ( 0.635 -4.588 -1.163) 4.775 8.453 ( -8.158 3.747 -3.434) 9.612 9.512 ( 16.093 13.062 4.363) 21.181 9.870 ( -0.818 10.415 3.547) 11.033 10.371 ( 6.494 -7.669 5.880) 11.643 10.671 ( -7.820 -7.487 1.012) 10.873 12.774 ( 9.410 -4.612 0.269) 10.483 13.259 ( -13.571 -9.665 -0.285) 16.663 13.998 ( -1.522 -19.128 0.097) 19.189 14.195 ( -12.412 -23.568 0.602) 26.643 16.425 ( 3.945 6.285 1.052) 7.495 16.505 ( 0.319 5.838 0.428) 5.863======================= Grid point 292 (66/180) =======================q-point: (-0.50 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.945 ( -8.493 10.446 0.295) 13.466 5.945 ( 8.493 10.446 0.295) 13.466 6.367 ( -9.396 7.931 -1.302) 12.365 6.367 ( 9.396 7.931 -1.302) 12.365 7.876 ( -7.232 7.070 -5.161) 11.354 7.876 ( 7.232 7.070 -5.161) 11.354 8.288 ( -6.974 -1.486 -3.387) 7.894 8.288 ( 6.974 -1.486 -3.387) 7.894 9.769 ( -9.182 11.670 5.382) 15.794 9.769 ( 9.182 11.670 5.382) 15.794 10.515 ( -7.657 -7.754 3.065) 11.320 10.515 ( 7.657 -7.754 3.065) 11.320 12.995 ( -12.500 -7.363 -0.176) 14.508 12.995 ( 12.500 -7.363 -0.176) 14.508 14.028 ( -4.647 -22.173 0.235) 22.656 14.028 ( 4.647 -22.173 0.235) 22.656 16.487 ( -2.142 6.362 0.621) 6.742 16.487 ( 2.142 6.362 0.621) 6.742======================= Grid point 305 (67/180) =======================q-point: ( 0.36 0.36 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.394 ( 24.729 24.729 -2.478) 35.060 5.744 ( 9.393 9.393 7.126) 15.074 6.644 ( -9.662 -9.662 5.275) 14.647 7.209 ( 4.669 4.669 -17.901) 19.080 7.422 ( 4.972 4.972 -5.803) 9.116 8.071 ( 2.224 2.224 4.287) 5.317 8.143 ( -4.613 -4.613 -0.463) 6.540 8.603 ( -3.477 -3.477 -1.652) 5.187 9.475 ( 17.091 17.091 2.565) 24.306 10.008 ( 10.161 10.161 -3.391) 14.764 10.189 ( -2.619 -2.619 10.548) 11.180 10.680 ( -7.366 -7.366 0.030) 10.417 12.630 ( 2.033 2.033 0.264) 2.887 13.302 ( -10.889 -10.889 -0.807) 15.420 13.810 ( -11.671 -11.671 0.127) 16.506 14.069 ( -20.792 -20.792 0.634) 29.412 16.451 ( 5.638 5.638 0.998) 8.036 16.566 ( 3.892 3.892 -0.973) 5.589======================= Grid point 306 (68/180) =======================q-point: ( 0.43 0.36 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.881 ( 19.168 16.890 -1.010) 25.568 5.936 ( 13.170 7.088 4.598) 15.647 6.456 ( -7.299 -3.341 2.358) 8.366 7.010 ( -18.556 16.729 -10.653) 27.160 7.698 ( 16.897 -3.750 -8.830) 19.430 8.050 ( -2.624 1.447 1.197) 3.227 8.116 ( 0.857 -3.606 2.945) 4.734 8.445 ( -11.543 -5.195 -4.261) 13.356 9.797 ( 13.963 14.388 3.819) 20.410 10.081 ( -1.628 8.553 4.935) 10.008 10.260 ( 7.519 -1.698 1.849) 7.927 10.532 ( -7.279 -6.217 1.534) 9.695 12.711 ( 6.206 -1.516 -0.572) 6.415 13.085 ( -10.946 -7.738 -1.115) 13.451 13.638 ( -5.434 -16.077 -0.021) 16.970 13.737 ( -11.826 -21.022 0.197) 24.121 16.549 ( 4.054 5.724 0.297) 7.021 16.616 ( 1.058 4.728 -1.743) 5.149======================= Grid point 307 (69/180) =======================q-point: (-0.50 0.36 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.083 ( -6.071 2.689 4.004) 7.753 6.083 ( 6.071 2.689 4.004) 7.753 6.588 ( -20.863 15.529 -6.220) 26.741 6.588 ( 20.863 15.529 -6.220) 26.741 7.969 ( -7.791 1.761 -3.350) 8.662 7.969 ( 7.791 1.761 -3.350) 8.662 8.202 ( -9.922 -7.154 -1.812) 12.365 8.202 ( 9.922 -7.154 -1.812) 12.365 10.004 ( -6.723 10.318 5.367) 13.434 10.004 ( 6.723 10.318 5.367) 13.434 10.397 ( -6.409 -3.186 1.304) 7.275 10.397 ( 6.409 -3.186 1.304) 7.275 12.874 ( -9.801 -4.634 -1.073) 10.894 12.874 ( 9.801 -4.634 -1.073) 10.894 13.602 ( -2.126 -19.453 -0.036) 19.568 13.602 ( 2.126 -19.453 -0.036) 19.568 16.608 ( -1.788 5.356 -0.996) 5.734 16.608 ( 1.788 5.356 -0.996) 5.734======================= Grid point 321 (70/180) =======================q-point: ( 0.43 0.43 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.000 ( 3.899 3.899 3.622) 6.597 6.155 ( 1.498 1.498 2.925) 3.612 6.534 ( 16.248 16.248 -5.239) 23.568 7.260 ( -0.815 -0.815 -13.051) 13.102 7.600 ( 3.477 3.477 -3.939) 6.300 8.040 ( -1.224 -1.224 2.133) 2.747 8.090 ( -0.544 -0.544 4.729) 4.792 8.252 ( -13.125 -13.125 -4.287) 19.051 10.027 ( 7.484 7.484 5.487) 11.922 10.133 ( -0.240 -0.240 8.746) 8.753 10.349 ( 6.393 6.393 -2.522) 9.386 10.441 ( -2.368 -2.368 0.013) 3.348 12.722 ( 2.752 2.752 -1.378) 4.129 12.946 ( -6.524 -6.524 -1.804) 9.401 13.382 ( -9.244 -9.244 -0.219) 13.075 13.400 ( -11.943 -11.943 -0.043) 16.889 16.643 ( 3.611 3.611 -0.981) 5.200 16.683 ( 1.851 1.851 -2.470) 3.599======================= Grid point 322 (71/180) =======================q-point: (-0.50 0.43 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.088 ( -4.876 -0.945 2.681) 5.644 6.088 ( 4.876 -0.945 2.681) 5.644 6.955 ( -21.846 19.629 -8.077) 30.460 6.955 ( 21.846 19.629 -8.077) 30.460 7.881 ( -16.690 -11.971 -5.989) 21.395 7.881 ( 16.690 -11.971 -5.989) 21.395 8.085 ( -1.123 -2.060 4.756) 5.303 8.085 ( 1.123 -2.060 4.756) 5.303 10.111 ( -2.286 0.801 7.846) 8.212 10.111 ( 2.286 0.801 7.846) 8.212 10.423 ( -1.082 4.589 -1.916) 5.089 10.423 ( 1.082 4.589 -1.916) 5.089 12.816 ( -6.207 -1.162 -1.906) 6.597 12.816 ( 6.207 -1.162 -1.906) 6.597 13.283 ( -0.115 -11.884 -0.209) 11.886 13.283 ( 0.115 -11.884 -0.209) 11.886 16.690 ( -1.054 2.776 -2.088) 3.630 16.690 ( 1.054 2.776 -2.088) 3.630======================= Grid point 344 (72/180) =======================q-point: (-0.50 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.076 ( 0.000 0.000 1.615) 1.615 6.076 ( 0.000 0.000 1.615) 1.615 7.231 ( 0.000 0.000 -10.645) 10.645 7.231 ( 0.000 0.000 -10.645) 10.645 7.672 ( 0.000 0.000 -3.182) 3.182 7.672 ( 0.000 0.000 -3.182) 3.182 8.073 ( 0.000 0.000 5.712) 5.712 8.073 ( 0.000 0.000 5.712) 5.712 10.109 ( 0.000 0.000 7.925) 7.925 10.109 ( 0.000 0.000 7.925) 7.925 10.482 ( 0.000 0.000 -2.161) 2.161 10.482 ( 0.000 0.000 -2.161) 2.161 12.811 ( 0.000 0.000 -2.381) 2.381 12.811 ( 0.000 0.000 -2.381) 2.381 13.157 ( -0.000 -0.000 -0.143) 0.143 13.157 ( 0.000 0.000 -0.143) 0.143 16.718 ( 0.000 0.000 -2.480) 2.480 16.718 ( 0.000 0.000 -2.480) 2.480======================= Grid point 450 (73/180) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 0.000 0.000 36.409) 36.409 1.759 ( -0.000 0.000 36.409) 36.409 3.032 ( -0.000 0.000 64.811) 64.811 5.557 ( -0.000 0.000 -12.024) 12.024 5.557 ( 0.000 0.000 -12.024) 12.024 7.590 ( 0.000 0.000 7.660) 7.660 7.590 ( -0.000 0.000 7.660) 7.660 8.559 ( 0.000 0.000 -7.037) 7.037 8.559 ( -0.000 -0.000 -7.037) 7.037 9.536 ( -0.000 0.000 -15.464) 15.464 10.767 ( -0.000 0.000 -9.058) 9.058 12.433 ( 0.000 0.000 0.751) 0.751 13.377 ( 0.000 0.000 0.990) 0.990 13.377 ( 0.000 0.000 0.990) 0.990 13.778 ( 0.000 -0.000 0.456) 0.456 14.876 ( 0.000 0.000 -1.090) 1.090 14.876 ( 0.000 -0.000 -1.090) 1.090 19.011 ( -0.000 0.000 2.324) 2.324======================= Grid point 451 (74/180) =======================q-point: ( 0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 9.524 0.000 33.370) 34.702 2.165 ( 27.982 0.000 36.320) 45.849 3.218 ( 24.860 0.000 48.671) 54.653 5.605 ( 4.711 0.000 -11.460) 12.391 5.838 ( 25.969 0.000 -11.179) 28.273 7.591 ( -0.029 0.000 6.355) 6.355 7.748 ( 12.532 0.000 2.447) 12.769 8.516 ( -4.148 0.000 -6.127) 7.399 8.576 ( 1.920 0.000 -7.148) 7.401 9.366 ( -15.354 0.000 -13.025) 20.134 10.754 ( -1.107 0.000 -7.906) 7.983 11.743 ( -32.019 0.000 20.093) 37.802 13.409 ( 3.207 0.000 1.016) 3.364 13.586 ( -3.279 0.000 -4.052) 5.212 14.436 ( 47.353 0.000 -16.547) 50.161 14.875 ( -0.108 0.000 -0.885) 0.892 14.955 ( 9.707 0.000 -1.785) 9.870 18.859 ( -14.667 0.000 3.537) 15.088======================= Grid point 452 (75/180) =======================q-point: ( 0.14 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 464Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.130 ( 17.723 0.000 26.199) 31.631 2.591 ( 18.535 0.000 34.924) 39.537 4.091 ( 55.663 0.000 21.216) 59.569 5.733 ( 7.787 0.000 -9.806) 12.522 6.467 ( 33.971 0.000 -11.125) 35.746 7.578 ( -1.634 0.000 2.340) 2.854 7.968 ( 7.939 0.000 -0.764) 7.976 8.403 ( -6.865 0.000 -3.278) 7.608 8.652 ( 5.999 0.000 -6.071) 8.534 9.029 ( -15.830 0.000 -8.869) 18.145 10.736 ( -0.231 0.000 -5.860) 5.864 11.372 ( -8.514 0.000 18.212) 20.103 13.464 ( -7.579 0.000 -1.562) 7.738 13.504 ( 6.247 0.000 1.111) 6.345 14.870 ( -0.448 0.000 -0.328) 0.555 14.911 ( 7.342 0.000 0.323) 7.349 15.420 ( 29.224 0.000 -17.435) 34.029 18.463 ( -24.078 0.000 5.311) 24.657======================= Grid point 453 (76/180) =======================q-point: ( 0.21 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.550 ( 24.156 0.000 18.244) 30.271 3.035 ( 26.643 0.000 18.515) 32.445 5.181 ( 49.626 0.000 6.102) 50.000 5.892 ( 7.350 0.000 -7.188) 10.280 7.086 ( 26.296 0.000 -11.146) 28.561 7.515 ( -4.771 0.000 -3.754) 6.071 8.051 ( 0.901 0.000 -0.622) 1.095 8.260 ( -7.154 0.000 0.964) 7.219 8.726 ( -2.960 0.000 -7.167) 7.754 8.909 ( 9.651 0.000 -0.347) 9.658 10.756 ( 2.338 0.000 -4.814) 5.352 11.289 ( -1.678 0.000 15.438) 15.529 13.314 ( -6.852 0.000 -0.063) 6.853 13.655 ( 8.833 0.000 1.299) 8.928 14.854 ( -1.227 0.000 0.432) 1.301 14.974 ( -0.695 0.000 5.847) 5.888 15.904 ( 19.675 0.000 -13.991) 24.143 17.944 ( -26.720 0.000 7.207) 27.675======================= Grid point 454 (77/180) =======================q-point: ( 0.29 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 464Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.080 ( 28.775 0.000 11.450) 30.969 3.634 ( 32.522 0.000 2.871) 32.648 5.940 ( 23.984 0.000 -9.686) 25.866 5.984 ( 0.512 0.000 -4.131) 4.162 7.409 ( -4.709 0.000 -8.617) 9.820 7.503 ( 16.794 0.000 -7.130) 18.245 8.040 ( -0.862 0.000 0.344) 0.929 8.125 ( -6.478 0.000 3.780) 7.501 8.739 ( 5.871 0.000 0.156) 5.874 9.206 ( 16.915 0.000 1.103) 16.951 10.829 ( 4.847 0.000 -2.823) 5.609 11.262 ( -1.623 0.000 14.438) 14.529 13.216 ( -2.421 0.000 0.566) 2.487 13.850 ( 10.574 0.000 1.580) 10.691 14.817 ( -2.576 0.000 1.206) 2.845 14.870 ( -10.122 0.000 7.333) 12.499 16.227 ( 13.243 0.000 -8.621) 15.802 17.449 ( -21.841 0.000 9.562) 23.843======================= Grid point 455 (78/180) =======================q-point: ( 0.36 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.684 ( 31.457 0.000 6.308) 32.083 4.294 ( 33.025 0.000 -8.274) 34.046 5.865 ( -12.917 0.000 -2.155) 13.095 6.123 ( -3.589 0.000 -20.323) 20.637 7.376 ( 2.107 0.000 -8.974) 9.218 7.784 ( 10.956 0.000 -4.837) 11.976 7.992 ( -7.047 0.000 3.410) 7.829 8.041 ( 0.800 0.000 -0.785) 1.121 8.955 ( 15.122 0.000 10.667) 18.506 9.508 ( 12.011 0.000 0.963) 12.050 10.933 ( 5.040 0.000 0.784) 5.100 11.214 ( -3.133 0.000 12.559) 12.944 13.240 ( 5.274 0.000 0.804) 5.335 14.069 ( 11.151 0.000 1.900) 11.312 14.577 ( -18.581 0.000 6.322) 19.628 14.747 ( -4.474 0.000 1.829) 4.833 16.447 ( 9.167 0.000 -2.960) 9.634 17.096 ( -13.663 0.000 11.306) 17.734======================= Grid point 456 (79/180) =======================q-point: ( 0.43 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 464Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.320 ( 31.969 0.000 2.648) 32.079 4.925 ( 29.851 0.000 -15.473) 33.623 5.486 ( -24.126 0.000 -1.252) 24.158 5.895 ( -17.389 0.000 -21.830) 27.909 7.483 ( 7.840 0.000 -5.966) 9.852 7.838 ( -8.450 0.000 1.000) 8.509 7.939 ( 5.285 0.000 -4.240) 6.776 8.050 ( -0.410 0.000 -3.135) 3.162 9.289 ( 16.717 0.000 14.288) 21.991 9.648 ( 1.502 0.000 4.472) 4.718 11.017 ( 3.385 0.000 4.127) 5.337 11.144 ( -3.607 0.000 9.022) 9.716 13.429 ( 13.474 0.000 1.415) 13.548 14.169 ( -21.337 0.000 4.430) 21.792 14.286 ( 10.505 0.000 2.173) 10.728 14.636 ( -6.705 0.000 2.201) 7.057 16.606 ( 7.021 0.000 2.791) 7.555 16.884 ( -8.360 0.000 10.721) 13.596======================= Grid point 457 (80/180) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.941 ( -29.881 0.000 0.189) 29.882 4.941 ( 29.881 0.000 0.189) 29.882 5.471 ( -24.661 0.000 -19.767) 31.605 5.471 ( 24.661 0.000 -19.767) 31.605 7.659 ( -9.279 0.000 -2.315) 9.564 7.659 ( 9.279 0.000 -2.315) 9.564 8.017 ( -2.827 0.000 -3.801) 4.737 8.017 ( 2.827 0.000 -3.801) 4.737 9.563 ( -9.731 0.000 10.609) 14.396 9.563 ( 9.731 0.000 10.609) 14.396 11.078 ( -3.033 0.000 6.117) 6.828 11.078 ( 3.033 0.000 6.117) 6.828 13.759 ( -19.118 0.000 2.683) 19.305 13.759 ( 19.118 0.000 2.683) 19.305 14.481 ( -8.877 0.000 2.301) 9.170 14.481 ( 8.877 0.000 2.301) 9.170 16.739 ( -6.636 0.000 7.653) 10.130 16.739 ( 6.636 0.000 7.653) 10.130======================= Grid point 466 (81/180) =======================q-point: ( 0.07 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.127 ( 13.184 13.184 34.240) 38.987 2.413 ( 27.320 27.320 29.173) 48.413 3.339 ( 17.869 17.869 38.482) 46.038 5.752 ( 9.221 9.221 -12.657) 18.174 6.005 ( 20.121 20.121 -8.428) 29.677 7.590 ( 0.316 0.316 8.819) 8.830 7.877 ( 10.205 10.205 -2.619) 14.667 8.455 ( -5.199 -5.199 -5.110) 8.954 8.606 ( 2.422 2.422 -7.510) 8.254 9.229 ( -12.325 -12.325 -11.673) 20.978 10.742 ( -0.964 -0.964 -7.136) 7.265 11.548 ( -13.877 -13.877 20.819) 28.610 13.021 ( -10.295 -10.295 2.682) 14.804 14.168 ( 11.695 11.695 -0.696) 16.554 14.567 ( 22.716 22.716 -20.946) 38.351 14.807 ( -3.470 -3.470 -1.042) 5.017 15.097 ( 11.424 11.424 -3.026) 16.437 18.713 ( -14.094 -14.094 4.279) 20.386======================= Grid point 467 (82/180) =======================q-point: ( 0.14 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.419 ( 18.720 15.199 25.979) 35.445 2.837 ( 14.868 32.310 28.044) 45.293 4.101 ( 52.675 2.854 16.760) 55.351 5.921 ( 8.810 15.458 -11.379) 21.119 6.565 ( 31.586 11.228 -8.093) 34.485 7.595 ( -0.407 1.908 7.195) 7.454 8.060 ( 6.706 7.658 -4.470) 11.117 8.328 ( -7.040 -6.918 -1.797) 10.032 8.680 ( 5.252 2.636 -7.332) 9.396 8.959 ( -12.518 -6.417 -9.219) 16.819 10.728 ( -0.146 -0.737 -5.816) 5.864 11.342 ( -6.372 -2.902 17.575) 18.919 12.942 ( -0.108 -19.497 2.962) 19.721 14.150 ( -4.870 29.887 -2.401) 30.376 14.740 ( -3.035 -7.415 -0.605) 8.035 15.005 ( 12.979 3.734 -2.343) 13.707 15.438 ( 21.856 2.998 -13.199) 25.708 18.328 ( -23.578 -13.139 5.658) 27.578======================= Grid point 468 (83/180) =======================q-point: ( 0.21 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.882 ( 26.867 19.765 14.435) 36.344 3.156 ( 19.189 22.177 18.693) 34.778 5.146 ( 47.471 -1.547 3.116) 47.598 6.106 ( 9.205 17.534 -8.562) 21.575 7.132 ( 22.939 6.270 -8.000) 25.090 7.554 ( -3.686 3.543 0.594) 5.147 8.127 ( 0.373 6.247 -3.770) 7.306 8.200 ( -5.305 -5.388 3.080) 8.165 8.716 ( -3.300 -1.025 -7.300) 8.077 8.912 ( 10.935 0.389 -2.606) 11.248 10.748 ( 2.319 -0.709 -4.822) 5.397 11.264 ( -2.359 -2.562 15.101) 15.498 12.963 ( 1.645 -19.136 2.780) 19.407 14.075 ( -1.766 25.386 -1.288) 25.480 14.670 ( -4.242 -11.308 0.607) 12.093 15.145 ( 2.351 9.644 5.300) 11.253 15.849 ( 18.140 -4.636 -12.951) 22.766 17.820 ( -26.174 -12.152 7.453) 29.805======================= Grid point 469 (84/180) =======================q-point: ( 0.29 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.428 ( 26.856 30.769 10.180) 42.090 3.646 ( 30.033 3.373 3.587) 30.433 5.855 ( 21.310 -1.574 -9.414) 23.350 6.250 ( 3.910 18.064 -6.874) 19.719 7.356 ( -2.004 -1.460 -5.831) 6.336 7.581 ( 10.552 4.860 -3.451) 12.119 8.103 ( -1.953 4.557 -2.485) 5.546 8.118 ( -3.240 0.608 4.013) 5.193 8.736 ( 6.296 -0.262 0.330) 6.310 9.213 ( 16.928 0.657 -0.437) 16.946 10.820 ( 4.677 -0.918 -2.679) 5.467 11.221 ( -2.360 -4.105 14.018) 14.796 13.004 ( 2.856 -14.791 2.290) 15.237 14.096 ( 3.798 17.752 -0.164) 18.154 14.556 ( -7.648 -14.228 2.109) 16.290 15.109 ( -5.758 11.800 6.053) 14.458 16.155 ( 12.822 -6.578 -8.592) 16.778 17.338 ( -20.993 -10.694 9.779) 25.509======================= Grid point 470 (85/180) =======================q-point: ( 0.36 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.970 ( 28.037 26.783 7.047) 39.410 4.291 ( 33.036 0.519 -7.591) 33.901 5.980 ( -7.144 8.009 -8.481) 13.678 6.210 ( -8.245 10.863 -13.941) 19.502 7.328 ( 2.033 -4.054 -7.793) 9.017 7.776 ( 5.932 -0.291 -0.378) 5.951 8.041 ( -3.113 4.228 -0.316) 5.260 8.094 ( 0.049 4.657 -2.066) 5.095 8.963 ( 15.766 0.877 10.472) 18.948 9.516 ( 12.119 0.785 0.169) 12.145 10.918 ( 4.693 -1.475 1.020) 5.024 11.164 ( -3.294 -4.997 12.192) 13.582 13.101 ( 7.461 -11.089 1.773) 13.482 14.213 ( 7.499 11.128 0.705) 13.437 14.345 ( -13.808 -14.731 3.405) 20.476 14.942 ( -9.874 10.721 4.064) 15.131 16.371 ( 9.132 -7.022 -3.247) 11.968 17.004 ( -12.754 -8.705 11.373) 19.178======================= Grid point 471 (86/180) =======================q-point: ( 0.43 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.543 ( 29.147 20.748 3.410) 35.940 4.920 ( 29.110 1.172 -13.293) 32.023 5.669 ( -21.304 15.298 -3.427) 26.451 5.942 ( -17.932 5.876 -18.938) 26.734 7.439 ( 8.138 -3.947 -6.011) 10.860 7.771 ( -5.533 -3.858 0.478) 6.762 8.025 ( 1.415 5.820 -3.694) 7.037 8.092 ( -0.673 3.607 -3.733) 5.235 9.305 ( 16.851 1.686 13.526) 21.674 9.659 ( 1.695 1.083 3.837) 4.332 10.993 ( 2.861 -2.353 4.470) 5.805 11.097 ( -3.178 -4.680 8.817) 10.476 13.313 ( 13.769 -9.799 1.818) 16.998 14.011 ( -18.653 -12.547 3.435) 22.741 14.383 ( 8.976 7.359 1.312) 11.680 14.748 ( -9.424 7.451 2.487) 12.269 16.531 ( 7.133 -6.884 2.410) 10.202 16.806 ( -7.903 -7.229 10.515) 15.009======================= Grid point 472 (87/180) =======================q-point: (-0.50 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.100 ( -23.999 14.108 -0.124) 27.839 5.100 ( 23.999 14.108 -0.124) 27.839 5.530 ( -20.960 6.874 -17.338) 28.057 5.530 ( 20.960 6.874 -17.338) 28.057 7.616 ( -8.998 -3.561 -2.691) 10.044 7.616 ( 8.998 -3.561 -2.691) 10.044 8.064 ( -1.977 3.924 -3.908) 5.880 8.064 ( 1.977 3.924 -3.908) 5.880 9.578 ( -9.518 1.520 9.831) 13.768 9.578 ( 9.518 1.520 9.831) 13.768 11.042 ( -2.378 -3.544 6.260) 7.577 11.042 ( 2.378 -3.544 6.260) 7.577 13.636 ( -18.135 -10.453 2.545) 21.085 13.636 ( 18.135 -10.453 2.545) 21.085 14.564 ( -9.123 6.022 1.824) 11.082 14.564 ( 9.123 6.022 1.824) 11.082 16.665 ( -6.602 -6.755 7.282) 11.927 16.665 ( 6.602 -6.755 7.282) 11.927======================= Grid point 482 (88/180) =======================q-point: ( 0.14 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.689 ( 16.413 16.413 20.780) 31.154 3.593 ( 29.647 29.647 23.083) 47.862 4.367 ( 29.936 29.936 4.901) 42.619 6.210 ( 12.506 12.506 -14.960) 23.165 6.941 ( 24.432 24.432 -3.437) 34.722 7.652 ( 3.186 3.186 12.297) 13.096 8.138 ( -7.597 -7.597 0.367) 10.749 8.223 ( 3.910 3.910 -6.096) 8.230 8.759 ( 5.366 5.366 -8.738) 11.573 8.809 ( -7.237 -7.237 -9.343) 13.858 10.717 ( -0.076 -0.076 -5.468) 5.469 11.268 ( -4.118 -4.118 15.721) 16.765 12.706 ( -5.234 -5.234 4.157) 8.490 14.519 ( 4.940 4.940 -1.041) 7.063 14.596 ( -7.013 -7.013 -0.835) 9.954 15.116 ( 9.757 9.757 -3.672) 14.279 15.563 ( 9.157 9.157 -8.277) 15.370 17.966 ( -22.324 -22.324 6.621) 32.257======================= Grid point 483 (89/180) =======================q-point: ( 0.21 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.119 ( 26.353 12.324 10.404) 30.896 3.958 ( 13.408 45.289 17.517) 50.376 5.186 ( 43.138 7.156 -3.630) 43.878 6.437 ( 10.496 13.815 -14.453) 22.581 7.395 ( 17.973 19.349 -0.895) 26.423 7.644 ( -6.216 5.598 7.438) 11.194 8.036 ( 1.172 -9.242 5.610) 10.875 8.273 ( -0.076 6.058 -5.628) 8.269 8.691 ( -2.750 -1.303 -7.012) 7.644 8.936 ( 12.024 2.472 -7.098) 14.180 10.735 ( 2.066 -0.354 -4.287) 4.772 11.185 ( -4.218 -5.314 13.725) 15.310 12.683 ( 1.788 -8.838 4.140) 9.922 14.448 ( -7.558 -10.700 -0.299) 13.104 14.477 ( -5.485 12.491 -1.357) 13.709 15.302 ( 5.604 6.227 4.039) 9.300 15.779 ( 11.913 -1.027 -10.084) 15.641 17.487 ( -24.218 -20.125 8.311) 32.567======================= Grid point 484 (90/180) =======================q-point: ( 0.29 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.707 ( 31.690 8.279 1.069) 32.771 4.250 ( 16.932 42.997 12.636) 47.907 5.880 ( 24.124 4.158 -12.612) 27.538 6.598 ( 4.198 14.694 -11.771) 19.290 7.398 ( -11.920 4.243 2.568) 12.910 7.696 ( 9.531 8.358 3.179) 13.069 8.111 ( 3.282 1.239 1.472) 3.804 8.237 ( -2.600 6.151 -4.445) 8.022 8.733 ( 7.619 0.282 0.727) 7.659 9.235 ( 16.813 1.681 -3.958) 17.354 10.797 ( 3.959 -1.183 -1.522) 4.403 11.101 ( -4.223 -7.796 12.130) 15.025 12.752 ( 4.961 -9.626 3.457) 11.367 14.279 ( -9.703 -13.518 0.736) 16.656 14.391 ( -2.365 9.543 -0.938) 9.876 15.291 ( -6.572 5.633 5.978) 10.520 16.014 ( 11.163 -6.091 -8.850) 15.494 17.059 ( -17.631 -15.905 10.584) 25.997======================= Grid point 485 (91/180) =======================q-point: ( 0.36 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.340 ( 30.800 6.123 -5.607) 31.900 4.649 ( 23.244 37.146 9.003) 44.735 6.110 ( -0.642 6.450 -17.341) 18.513 6.545 ( -10.379 19.141 -5.344) 22.420 7.248 ( -0.649 -3.544 -4.197) 5.531 7.802 ( 0.304 3.647 2.963) 4.709 8.140 ( 0.226 5.578 -3.853) 6.783 8.194 ( -1.649 4.758 -3.495) 6.130 8.994 ( 17.512 2.481 9.596) 20.122 9.541 ( 12.438 1.733 -1.840) 12.692 10.876 ( 3.494 -2.667 2.893) 5.262 11.021 ( -3.587 -9.043 9.904) 13.883 12.885 ( 8.629 -9.610 2.511) 13.157 14.049 ( -13.516 -14.465 1.732) 19.873 14.393 ( 2.414 4.369 -0.314) 5.001 15.078 ( -13.155 1.478 3.771) 13.764 16.216 ( 9.136 -6.888 -4.193) 12.186 16.794 ( -9.547 -10.681 11.493) 18.366======================= Grid point 486 (92/180) =======================q-point: ( 0.43 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.911 ( 26.560 9.135 -7.371) 29.039 5.156 ( 25.806 27.060 3.626) 37.567 5.921 ( -15.645 9.420 -15.104) 23.699 6.224 ( -20.110 21.016 -2.692) 29.212 7.353 ( 9.054 -4.026 -7.089) 12.184 7.725 ( -7.078 -0.201 -1.041) 7.157 8.139 ( -0.027 5.514 -4.074) 6.855 8.167 ( -1.192 3.433 -3.579) 5.100 9.357 ( 17.085 3.571 11.286) 20.785 9.692 ( 2.279 2.348 2.098) 3.887 10.924 ( 1.276 -4.731 7.524) 8.979 10.965 ( -1.914 -8.130 6.038) 10.306 13.104 ( 13.312 -10.335 1.936) 16.964 13.744 ( -16.733 -13.560 2.112) 21.641 14.478 ( 5.877 0.054 0.326) 5.886 14.823 ( -11.697 -1.794 1.982) 11.999 16.381 ( 7.475 -6.540 1.153) 9.999 16.643 ( -6.430 -7.517 9.695) 13.850======================= Grid point 487 (93/180) =======================q-point: (-0.50 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.377 ( -16.059 11.777 -6.088) 20.824 5.377 ( 16.059 11.777 -6.088) 20.824 5.808 ( -17.241 20.929 -5.192) 27.609 5.808 ( 17.241 20.929 -5.192) 27.609 7.550 ( -9.932 -2.365 -4.989) 11.364 7.550 ( 9.932 -2.365 -4.989) 11.364 8.146 ( -0.771 3.948 -3.607) 5.403 8.146 ( 0.771 3.948 -3.607) 5.403 9.624 ( -8.916 3.167 7.667) 12.179 9.624 ( 8.916 3.167 7.667) 12.179 10.940 ( -0.781 -6.511 6.594) 9.300 10.940 ( 0.781 -6.511 6.594) 9.300 13.406 ( -16.589 -11.849 1.958) 20.480 13.406 ( 16.589 -11.849 1.958) 20.480 14.622 ( -8.570 -2.238 1.015) 8.915 14.622 ( 8.570 -2.238 1.015) 8.915 16.518 ( -6.420 -6.468 5.991) 10.906 16.518 ( 6.420 -6.468 5.991) 10.906======================= Grid point 498 (94/180) =======================q-point: ( 0.21 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.457 ( 21.561 21.561 5.018) 30.902 4.681 ( 24.312 24.312 19.508) 39.531 5.512 ( 25.893 25.893 -13.638) 39.076 6.664 ( 9.673 9.673 -16.485) 21.422 7.622 ( -3.387 -3.387 5.781) 7.507 7.846 ( 6.016 6.016 14.178) 16.535 7.940 ( 11.660 11.660 -0.009) 16.489 8.346 ( 1.134 1.134 -5.114) 5.360 8.677 ( 0.622 0.622 -5.115) 5.190 9.041 ( 8.819 8.819 -9.346) 15.586 10.741 ( 1.075 1.075 -1.985) 2.500 11.060 ( -6.908 -6.908 10.919) 14.652 12.594 ( -0.807 -0.807 4.231) 4.382 14.235 ( -10.651 -10.651 -0.491) 15.071 14.550 ( -3.651 -3.651 -0.523) 5.190 15.399 ( 1.849 1.849 4.610) 5.300 15.818 ( 4.750 4.750 -10.055) 12.093 17.076 ( -19.322 -19.322 10.073) 29.123======================= Grid point 499 (95/180) =======================q-point: ( 0.29 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.956 ( 27.802 16.814 -0.089) 32.491 5.030 ( 14.621 32.139 15.797) 38.681 6.040 ( 22.069 12.554 -18.113) 31.189 6.825 ( 6.053 9.122 -14.787) 18.399 7.409 ( -14.066 -4.045 8.993) 17.178 7.923 ( 3.645 10.788 10.066) 15.198 8.200 ( 6.710 7.218 -4.267) 10.739 8.336 ( -1.201 4.855 -3.874) 6.326 8.766 ( 9.835 3.637 1.481) 10.590 9.293 ( 15.529 4.777 -7.125) 17.741 10.774 ( 1.892 -1.362 4.111) 4.726 10.926 ( -6.082 -9.025 5.845) 12.353 12.626 ( 3.617 -3.353 3.502) 6.049 14.017 ( -11.419 -12.774 -0.104) 17.134 14.432 ( -6.236 -4.912 -0.306) 7.944 15.286 ( -13.177 -7.651 4.549) 15.901 15.966 ( 9.375 2.110 -9.447) 13.476 16.777 ( -10.272 -10.754 11.737) 18.945======================= Grid point 500 (96/180) =======================q-point: ( 0.36 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.535 ( 29.487 13.592 -4.316) 32.754 5.339 ( 16.945 29.218 13.296) 36.299 6.280 ( 0.971 11.054 -19.639) 22.557 6.870 ( -4.897 12.670 -4.828) 14.416 7.182 ( -3.456 -3.491 0.787) 4.974 7.928 ( -3.908 8.150 3.089) 9.552 8.226 ( -1.044 1.382 -4.485) 4.808 8.310 ( -2.232 8.332 -4.916) 9.928 9.074 ( 19.344 5.961 7.855) 21.712 9.592 ( 12.790 3.727 -4.116) 13.943 10.787 ( -1.398 -8.739 17.386) 19.509 10.847 ( -1.108 -5.384 -5.064) 7.473 12.733 ( 7.247 -5.636 2.355) 9.478 13.771 ( -13.412 -13.395 0.473) 18.961 14.343 ( -2.329 -9.093 -0.097) 9.387 14.953 ( -17.922 -14.405 2.531) 23.132 16.156 ( 9.125 1.430 -5.461) 10.730 16.639 ( -4.717 -4.185 10.826) 12.529======================= Grid point 501 (97/180) =======================q-point: ( 0.43 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.107 ( 27.482 12.334 -7.435) 31.027 5.689 ( 15.575 22.226 10.326) 29.038 6.134 ( -11.306 12.652 -14.966) 22.625 6.605 ( -17.867 14.013 6.426) 23.598 7.310 ( 11.605 0.787 -10.937) 15.966 7.782 ( -9.939 6.036 -4.787) 12.575 8.209 ( -0.512 1.220 -2.313) 2.664 8.253 ( -2.879 5.290 -4.117) 7.296 9.453 ( 17.006 6.258 8.052) 19.830 9.757 ( 3.204 4.418 -0.194) 5.461 10.764 ( 0.075 -10.277 12.311) 16.037 10.832 ( -1.404 -5.694 1.521) 6.058 12.919 ( 11.411 -8.082 1.397) 14.053 13.483 ( -15.229 -12.439 0.830) 19.681 14.343 ( 2.319 -13.289 0.184) 13.491 14.636 ( -13.114 -16.720 1.318) 21.290 16.322 ( 7.460 0.958 -0.965) 7.583 16.553 ( -4.402 -1.184 7.760) 8.999======================= Grid point 502 (98/180) =======================q-point: (-0.50 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.606 ( -21.172 12.428 -7.998) 25.820 5.606 ( 21.172 12.428 -7.998) 25.820 6.228 ( -18.374 17.330 5.562) 25.862 6.228 ( 18.374 17.330 5.562) 25.862 7.556 ( -12.300 3.836 -9.840) 16.212 7.556 ( 12.300 3.836 -9.840) 16.212 8.212 ( -1.031 2.500 -2.590) 3.745 8.212 ( 1.031 2.500 -2.590) 3.745 9.709 ( -8.021 5.481 4.723) 10.802 9.709 ( 8.021 5.481 4.723) 10.802 10.791 ( -2.218 -8.185 6.944) 10.960 10.791 ( 2.218 -8.185 6.944) 10.960 13.181 ( -14.597 -10.496 0.983) 18.006 13.181 ( 14.597 -10.496 0.983) 18.006 14.436 ( -7.145 -16.083 0.617) 17.609 14.436 ( 7.145 -16.083 0.617) 17.609 16.453 ( -5.768 0.210 3.602) 6.803 16.453 ( 5.768 0.210 3.602) 6.803======================= Grid point 514 (99/180) =======================q-point: ( 0.29 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.365 ( 23.692 23.692 -1.486) 33.539 5.494 ( 16.070 16.070 16.459) 28.060 6.348 ( 15.627 15.627 -21.833) 31.066 6.986 ( 7.041 7.041 -13.701) 16.938 7.258 ( -10.375 -10.375 11.442) 18.606 8.067 ( 4.401 4.401 9.657) 11.489 8.248 ( -1.948 -1.948 -4.983) 5.694 8.478 ( 5.254 5.254 -6.005) 9.553 8.918 ( 12.689 12.689 4.481) 18.496 9.454 ( 11.531 11.531 -7.515) 17.956 10.700 ( -6.608 -6.608 17.978) 20.261 10.804 ( -2.198 -2.198 -7.503) 8.121 12.604 ( 0.828 0.828 2.758) 2.996 13.767 ( -12.448 -12.448 -0.425) 17.609 14.264 ( -10.012 -10.012 0.121) 14.159 14.984 ( -20.744 -20.744 2.777) 29.467 16.081 ( 8.104 8.104 -8.370) 14.191 16.648 ( -3.024 -3.024 11.223) 12.010======================= Grid point 515 (100/180) =======================q-point: ( 0.36 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.877 ( 26.992 20.434 -3.245) 34.010 5.760 ( 12.211 13.633 14.402) 23.289 6.539 ( 0.901 13.658 -20.354) 24.529 7.002 ( -12.465 -3.207 9.578) 16.044 7.150 ( 8.819 4.113 -10.678) 14.446 8.077 ( -4.154 6.090 2.888) 7.918 8.210 ( -0.535 -2.401 -0.772) 2.578 8.471 ( -4.850 5.535 -8.212) 11.027 9.254 ( 19.324 12.428 5.888) 23.718 9.709 ( 12.266 8.445 -5.438) 15.854 10.586 ( -3.779 -9.462 14.002) 17.317 10.773 ( -1.906 -3.447 -1.489) 4.211 12.654 ( 4.339 -2.406 1.555) 5.199 13.516 ( -12.899 -12.275 -0.455) 17.812 14.087 ( -6.950 -14.717 0.208) 16.277 14.552 ( -20.652 -23.711 1.628) 31.486 16.248 ( 8.120 6.683 -6.113) 12.164 16.613 ( -1.351 0.568 8.663) 8.786======================= Grid point 516 (101/180) =======================q-point: ( 0.43 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.414 ( 26.232 18.296 -5.340) 32.425 5.998 ( 10.229 9.295 11.289) 17.846 6.394 ( -11.564 12.486 -12.470) 21.098 6.725 ( -14.968 -0.929 9.641) 17.828 7.403 ( 14.963 7.130 -13.648) 21.471 7.935 ( -9.488 7.947 -4.898) 13.310 8.210 ( 0.357 -0.824 0.941) 1.300 8.340 ( -6.896 2.577 -5.699) 9.310 9.620 ( 16.046 10.821 4.803) 19.941 9.882 ( 4.133 8.398 -2.179) 9.610 10.563 ( 1.339 -9.413 10.862) 14.435 10.715 ( -3.930 -6.025 3.293) 7.911 12.782 ( 8.528 -5.685 0.413) 10.257 13.251 ( -13.514 -10.814 -0.401) 17.313 14.002 ( -1.484 -19.188 0.204) 19.246 14.211 ( -13.048 -24.100 0.809) 27.418 16.394 ( 6.424 5.316 -2.963) 8.849 16.575 ( -2.658 2.468 4.993) 6.172======================= Grid point 517 (102/180) =======================q-point: (-0.50 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.890 ( -20.099 15.861 -5.679) 26.226 5.890 ( 20.099 15.861 -5.679) 26.226 6.422 ( -13.855 2.706 7.365) 15.922 6.422 ( 13.855 2.706 7.365) 15.922 7.700 ( -13.960 9.033 -11.382) 20.150 7.700 ( 13.960 9.033 -11.382) 20.150 8.238 ( -2.986 -0.108 -1.065) 3.172 8.238 ( 2.986 -0.108 -1.065) 3.172 9.855 ( -6.896 9.417 1.952) 11.834 9.855 ( 6.896 9.417 1.952) 11.834 10.626 ( -4.449 -8.079 7.135) 11.661 10.626 ( 4.449 -8.079 7.135) 11.661 12.991 ( -12.171 -8.564 -0.216) 14.884 12.991 ( 12.171 -8.564 -0.216) 14.884 14.034 ( -4.945 -22.493 0.347) 23.032 14.034 ( 4.945 -22.493 0.347) 23.032 16.503 ( -4.536 3.931 0.901) 6.069 16.503 ( 4.536 3.931 0.901) 6.069======================= Grid point 530 (103/180) =======================q-point: ( 0.36 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.330 ( 24.509 24.509 -3.168) 34.805 5.948 ( 6.957 6.957 11.712) 15.297 6.714 ( -2.066 -2.066 -10.486) 10.886 6.881 ( -3.123 -3.123 0.454) 4.439 7.263 ( 6.935 6.935 -8.938) 13.269 8.132 ( -2.350 -2.350 -1.131) 3.511 8.178 ( 1.362 1.362 5.442) 5.773 8.476 ( -4.938 -4.938 -9.256) 11.594 9.556 ( 16.940 16.940 4.093) 24.304 9.914 ( 10.954 10.954 -5.163) 16.329 10.441 ( -4.705 -4.705 12.128) 13.833 10.695 ( -4.449 -4.449 1.595) 6.491 12.637 ( 0.835 0.835 0.372) 1.238 13.280 ( -11.449 -11.449 -1.151) 16.232 13.814 ( -11.824 -11.824 0.177) 16.723 14.086 ( -21.480 -21.480 0.881) 30.391 16.386 ( 6.628 6.628 -5.668) 10.954 16.629 ( 0.562 0.562 5.540) 5.597======================= Grid point 531 (104/180) =======================q-point: ( 0.43 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.821 ( 23.509 21.954 -3.917) 32.404 6.089 ( 8.047 1.193 8.942) 12.089 6.520 ( -11.838 -4.726 1.370) 12.820 6.762 ( -12.376 10.877 -9.073) 18.809 7.498 ( 15.941 1.033 -9.582) 18.628 8.052 ( -6.269 3.095 -2.448) 7.408 8.195 ( 0.173 -0.136 4.110) 4.116 8.319 ( -8.701 -4.910 -5.709) 11.506 9.876 ( 13.923 14.089 2.698) 19.990 10.085 ( 4.782 11.147 -3.179) 12.539 10.407 ( 1.322 -5.886 10.105) 11.769 10.594 ( -5.644 -6.027 4.260) 9.291 12.696 ( 5.251 -2.689 -0.805) 5.954 13.055 ( -11.161 -8.808 -1.580) 14.305 13.637 ( -5.592 -16.351 -0.010) 17.281 13.743 ( -12.286 -21.483 0.270) 24.750 16.502 ( 4.921 5.051 -4.047) 8.131 16.624 ( -1.173 2.036 2.002) 3.087======================= Grid point 532 (105/180) =======================q-point: (-0.50 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.171 ( -8.618 7.598 2.429) 11.743 6.171 ( 8.618 7.598 2.429) 11.743 6.456 ( -13.254 6.743 -3.861) 15.364 6.456 ( 13.254 6.743 -3.861) 15.364 7.828 ( -15.589 1.882 -9.198) 18.198 7.828 ( 15.589 1.882 -9.198) 18.198 8.211 ( -2.231 -1.883 2.175) 3.641 8.211 ( 2.231 -1.883 2.175) 3.641 10.076 ( -5.593 12.011 0.595) 13.262 10.076 ( 5.593 12.011 0.595) 13.262 10.481 ( -5.316 -6.243 6.689) 10.582 10.481 ( 5.316 -6.243 6.689) 10.582 12.845 ( -9.440 -5.842 -1.512) 11.203 12.845 ( 9.440 -5.842 -1.512) 11.203 13.601 ( -2.261 -19.813 -0.044) 19.942 13.601 ( 2.261 -19.813 -0.044) 19.942 16.582 ( -3.066 3.498 -1.376) 4.851 16.582 ( 3.066 3.498 -1.376) 4.851======================= Grid point 546 (106/180) =======================q-point: ( 0.43 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.098 ( 1.420 1.420 5.287) 5.656 6.219 ( 9.337 9.337 1.699) 13.313 6.416 ( 4.370 4.370 -4.338) 7.551 6.946 ( 1.089 1.089 -14.940) 15.019 7.509 ( 4.805 4.805 -4.332) 8.059 8.017 ( -8.813 -8.813 -6.218) 13.929 8.202 ( 0.184 0.184 5.400) 5.406 8.205 ( -2.972 -2.972 1.981) 4.646 10.135 ( 10.632 10.632 2.770) 15.289 10.280 ( 6.855 6.855 -3.745) 10.392 10.334 ( -1.143 -1.143 9.774) 9.907 10.480 ( -5.122 -5.122 4.311) 8.430 12.685 ( 1.782 1.782 -1.986) 3.209 12.898 ( -7.191 -7.191 -2.559) 10.486 13.376 ( -9.417 -9.417 -0.275) 13.321 13.399 ( -12.147 -12.147 -0.065) 17.179 16.586 ( 3.318 3.318 -4.048) 6.197 16.647 ( 0.254 0.254 -0.793) 0.871======================= Grid point 547 (107/180) =======================q-point: (-0.50 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.161 ( -5.020 -3.617 3.835) 7.279 6.161 ( 5.020 -3.617 3.835) 7.279 6.746 ( -17.661 17.003 -10.760) 26.773 6.746 ( 17.661 17.003 -10.760) 26.773 7.745 ( -15.610 -8.884 -6.336) 19.046 7.745 ( 15.610 -8.884 -6.336) 19.046 8.198 ( -0.618 0.456 5.502) 5.556 8.198 ( 0.618 0.456 5.502) 5.556 10.277 ( -3.854 5.931 4.512) 8.390 10.277 ( 3.854 5.931 4.512) 8.390 10.397 ( -3.612 -0.937 2.038) 4.252 10.397 ( 3.612 -0.937 2.038) 4.252 12.765 ( -5.841 -2.183 -2.734) 6.809 12.765 ( 5.841 -2.183 -2.734) 6.809 13.278 ( -0.085 -11.912 -0.270) 11.916 13.278 ( 0.085 -11.912 -0.270) 11.916 16.634 ( -1.542 1.742 -2.927) 3.739 16.634 ( 1.542 1.742 -2.927) 3.739======================= Grid point 569 (108/180) =======================q-point: (-0.50 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.118 ( 0.000 0.000 2.204) 2.204 6.118 ( 0.000 0.000 2.204) 2.204 6.961 ( 0.000 0.000 -13.665) 13.665 6.961 ( 0.000 0.000 -13.665) 13.665 7.609 ( 0.000 0.000 -2.536) 2.536 7.609 ( 0.000 0.000 -2.536) 2.536 8.206 ( 0.000 0.000 6.302) 6.302 8.206 ( 0.000 0.000 6.302) 6.302 10.304 ( -0.000 -0.000 9.609) 9.609 10.304 ( 0.000 0.000 9.609) 9.609 10.423 ( 0.000 0.000 -3.195) 3.195 10.423 ( 0.000 0.000 -3.195) 3.195 12.747 ( 0.000 0.000 -3.384) 3.384 12.747 ( 0.000 0.000 -3.384) 3.384 13.153 ( -0.000 -0.000 -0.207) 0.207 13.153 ( 0.000 0.000 -0.207) 0.207 16.652 ( 0.000 0.000 -3.488) 3.488 16.652 ( 0.000 0.000 -3.488) 3.488======================= Grid point 675 (109/180) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.401 ( 0.000 -0.000 23.215) 23.215 2.401 ( -0.000 0.000 23.215) 23.215 4.205 ( -0.000 -0.000 43.844) 43.844 5.303 ( 0.000 0.000 -10.754) 10.754 5.303 ( 0.000 0.000 -10.754) 10.754 7.760 ( 0.000 0.000 7.832) 7.832 7.760 ( 0.000 0.000 7.832) 7.832 8.399 ( 0.000 0.000 -7.494) 7.494 8.399 ( -0.000 0.000 -7.494) 7.494 9.102 ( -0.000 0.000 -21.932) 21.932 10.683 ( 0.000 0.000 -0.299) 0.299 12.430 ( 0.000 0.000 -0.681) 0.681 13.396 ( 0.000 0.000 0.700) 0.700 13.396 ( 0.000 0.000 0.700) 0.700 13.787 ( 0.000 0.000 0.322) 0.322 14.855 ( -0.000 0.000 -0.771) 0.771 14.855 ( 0.000 0.000 -0.771) 0.771 19.055 ( -0.000 -0.000 1.600) 1.600======================= Grid point 676 (110/180) =======================q-point: ( 0.07 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.453 ( 5.246 0.000 21.808) 22.430 2.832 ( 35.570 0.000 25.307) 43.654 4.069 ( -5.986 0.000 28.400) 29.024 5.363 ( 5.913 0.000 -10.212) 11.801 5.645 ( 28.846 0.000 -5.200) 29.311 7.730 ( -3.138 0.000 6.221) 6.967 7.881 ( 10.220 0.000 8.889) 13.545 8.381 ( -1.719 0.000 -6.114) 6.351 8.406 ( 1.545 0.000 -8.733) 8.868 9.009 ( -8.430 0.000 -18.187) 20.046 10.640 ( -3.872 0.000 -2.711) 4.726 12.029 ( -23.934 0.000 8.102) 25.268 13.428 ( 3.259 0.000 0.718) 3.337 13.510 ( -0.540 0.000 -2.760) 2.812 14.223 ( 38.071 0.000 -5.302) 38.439 14.858 ( 0.271 0.000 -0.626) 0.682 14.935 ( 7.586 0.000 -0.515) 7.603 18.919 ( -13.206 0.000 2.113) 13.374======================= Grid point 677 (111/180) =======================q-point: ( 0.14 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( 11.086 0.000 18.078) 21.207 3.356 ( 10.698 0.000 36.022) 37.577 4.335 ( 35.875 0.000 -0.982) 35.889 5.527 ( 10.068 0.000 -8.688) 13.299 6.291 ( 33.583 0.000 -4.200) 33.844 7.628 ( -7.203 0.000 2.120) 7.509 8.048 ( 4.224 0.000 7.131) 8.288 8.336 ( -2.657 0.000 -2.716) 3.799 8.524 ( 11.085 0.000 -5.903) 12.559 8.829 ( -7.415 0.000 -9.564) 12.102 10.559 ( -3.510 0.000 -7.801) 8.554 11.701 ( -9.198 0.000 11.084) 14.403 13.434 ( -5.668 0.000 -1.150) 5.783 13.525 ( 6.377 0.000 0.784) 6.425 14.863 ( 0.204 0.000 -0.234) 0.310 14.905 ( 23.278 0.000 -0.984) 23.299 15.163 ( 18.272 0.000 -6.989) 19.563 18.556 ( -22.331 0.000 3.275) 22.570======================= Grid point 678 (112/180) =======================q-point: ( 0.21 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.897 ( 17.349 0.000 13.238) 21.823 3.504 ( 9.199 0.000 23.587) 25.317 5.133 ( 36.388 0.000 -9.964) 37.728 5.740 ( 10.504 0.000 -6.380) 12.290 6.917 ( 28.233 0.000 -4.305) 28.560 7.449 ( -10.255 0.000 -2.258) 10.501 8.067 ( -1.018 0.000 1.561) 1.864 8.275 ( -3.653 0.000 0.459) 3.682 8.700 ( 4.310 0.000 3.213) 5.376 8.888 ( 15.336 0.000 -1.618) 15.422 10.528 ( 0.981 0.000 -11.890) 11.931 11.607 ( -1.689 0.000 11.343) 11.468 13.314 ( -5.807 0.000 0.023) 5.807 13.679 ( 9.057 0.000 0.915) 9.103 14.862 ( -0.472 0.000 0.301) 0.560 15.106 ( 1.736 0.000 6.323) 6.557 15.639 ( 24.016 0.000 -10.559) 26.234 18.076 ( -24.535 0.000 4.799) 25.000======================= Grid point 679 (113/180) =======================q-point: ( 0.29 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.302 ( 23.077 0.000 8.544) 24.608 3.777 ( 17.974 0.000 9.357) 20.263 5.641 ( 13.676 0.000 -15.801) 20.898 5.897 ( 3.630 0.000 -3.600) 5.112 7.259 ( -7.306 0.000 -5.210) 8.973 7.396 ( 19.689 0.000 -3.142) 19.938 8.036 ( -1.650 0.000 -0.450) 1.710 8.184 ( -5.665 0.000 1.838) 5.956 8.889 ( 14.962 0.000 11.040) 18.594 9.223 ( 16.436 0.000 0.406) 16.441 10.608 ( 7.002 0.000 -12.508) 14.335 11.584 ( -1.484 0.000 11.736) 11.830 13.228 ( -2.079 0.000 0.560) 2.153 13.880 ( 10.867 0.000 1.109) 10.924 14.840 ( -1.895 0.000 0.844) 2.075 15.017 ( -10.709 0.000 5.993) 12.272 16.064 ( 18.701 0.000 -6.289) 19.730 17.628 ( -19.539 0.000 6.604) 20.625======================= Grid point 680 (114/180) =======================q-point: ( 0.36 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.806 ( 27.199 0.000 4.728) 27.607 4.195 ( 23.157 0.000 -1.387) 23.198 5.709 ( -5.195 0.000 -16.710) 17.499 5.823 ( -11.666 0.000 -1.641) 11.781 7.217 ( 3.672 0.000 -5.671) 6.756 7.704 ( 11.522 0.000 -2.435) 11.776 8.011 ( -0.907 0.000 -1.575) 1.818 8.044 ( -8.379 0.000 1.583) 8.528 9.238 ( 18.169 0.000 13.672) 22.739 9.513 ( 12.191 0.000 -0.493) 12.201 10.789 ( 10.409 0.000 -8.777) 13.615 11.526 ( -4.689 0.000 11.716) 12.620 13.257 ( 5.529 0.000 0.739) 5.578 14.104 ( 11.445 0.000 1.331) 11.522 14.697 ( -20.452 0.000 4.546) 20.951 14.782 ( -3.996 0.000 1.280) 4.196 16.395 ( 14.773 0.000 -1.880) 14.892 17.308 ( -12.922 0.000 7.862) 15.126======================= Grid point 681 (115/180) =======================q-point: ( 0.43 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.371 ( 29.012 0.000 1.955) 29.078 4.670 ( 23.855 0.000 -8.187) 25.221 5.462 ( -23.168 0.000 -0.907) 23.186 5.493 ( -15.459 0.000 -14.840) 21.429 7.376 ( 11.013 0.000 -3.836) 11.662 7.851 ( -10.933 0.000 0.292) 10.936 7.873 ( 5.863 0.000 -1.916) 6.168 7.993 ( -1.156 0.000 -2.194) 2.480 9.552 ( 12.464 0.000 9.668) 15.773 9.693 ( 5.471 0.000 0.517) 5.496 11.001 ( 10.628 0.000 -1.821) 10.783 11.395 ( -8.247 0.000 10.010) 12.970 13.456 ( 14.251 0.000 1.019) 14.287 14.250 ( -23.188 0.000 2.998) 23.381 14.327 ( 10.708 0.000 1.519) 10.816 14.678 ( -6.485 0.000 1.539) 6.665 16.661 ( 12.125 0.000 2.159) 12.316 17.085 ( -10.106 0.000 7.515) 12.593======================= Grid point 682 (116/180) =======================q-point: (-0.50 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.944 ( -28.028 0.000 0.124) 28.028 4.944 ( 28.028 0.000 0.124) 28.028 5.123 ( -21.127 0.000 -12.185) 24.389 5.123 ( 21.127 0.000 -12.185) 24.389 7.616 ( -12.346 0.000 -1.613) 12.451 7.616 ( 12.346 0.000 -1.613) 12.451 7.955 ( -2.784 0.000 -2.018) 3.439 7.955 ( 2.784 0.000 -2.018) 3.439 9.714 ( -3.553 0.000 4.075) 5.407 9.714 ( 3.553 0.000 4.075) 5.407 11.209 ( -10.135 0.000 5.413) 11.490 11.209 ( 10.135 0.000 5.413) 11.490 13.808 ( -20.525 0.000 1.766) 20.601 13.808 ( 20.525 0.000 1.766) 20.601 14.524 ( -8.901 0.000 1.608) 9.045 14.524 ( 8.901 0.000 1.608) 9.045 16.884 ( -10.429 0.000 5.460) 11.772 16.884 ( 10.429 0.000 5.460) 11.772======================= Grid point 691 (117/180) =======================q-point: ( 0.07 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.784 ( 15.051 15.051 25.900) 33.524 2.966 ( 24.578 24.578 21.261) 40.746 3.968 ( -4.384 -4.384 18.585) 19.592 5.482 ( 8.342 8.342 -11.647) 16.578 5.886 ( 23.654 23.654 -1.621) 33.491 7.789 ( 1.754 1.754 9.349) 9.672 7.920 ( 6.209 6.209 5.487) 10.354 8.334 ( -3.144 -3.144 -6.397) 7.790 8.430 ( 1.642 1.642 -8.545) 8.855 8.930 ( -7.126 -7.126 -14.880) 17.971 10.603 ( -3.333 -3.333 -4.696) 6.654 11.875 ( -12.120 -12.120 10.083) 19.886 13.072 ( -9.387 -9.387 1.890) 13.410 14.155 ( 11.260 11.260 -0.485) 15.932 14.235 ( 24.011 24.011 -10.313) 35.488 14.787 ( -3.425 -3.425 -0.750) 4.902 15.075 ( 9.875 9.875 -0.154) 13.966 18.787 ( -12.984 -12.984 2.532) 18.536======================= Grid point 692 (118/180) =======================q-point: ( 0.14 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.964 ( 9.838 24.852 22.724) 35.083 3.427 ( 8.489 13.652 27.029) 31.448 4.268 ( 38.139 -4.418 -2.351) 38.466 5.668 ( 10.620 11.024 -11.348) 19.055 6.460 ( 30.865 17.096 -1.345) 35.309 7.734 ( -6.316 9.693 5.286) 12.720 8.068 ( 4.341 1.917 4.496) 6.537 8.291 ( -0.842 -4.627 -1.246) 4.865 8.516 ( 8.870 -0.331 -8.081) 12.003 8.779 ( -6.165 -4.490 -7.607) 10.772 10.534 ( -2.817 -2.142 -8.865) 9.545 11.670 ( -7.145 -2.971 11.313) 13.706 12.998 ( -0.143 -17.370 2.064) 17.493 14.100 ( -3.910 29.879 -2.033) 30.202 14.729 ( -1.960 -8.088 -0.276) 8.326 14.910 ( 28.814 -1.803 -5.170) 29.329 15.289 ( 11.556 10.187 -2.387) 15.589 18.429 ( -22.005 -12.450 3.550) 25.531======================= Grid point 693 (119/180) =======================q-point: ( 0.21 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.227 ( 16.804 23.170 16.137) 32.858 3.545 ( 7.840 11.750 16.371) 21.622 5.087 ( 36.833 -2.783 -7.299) 37.652 5.895 ( 11.427 11.970 -10.158) 19.417 7.029 ( 24.507 12.163 -1.973) 27.430 7.558 ( -10.246 9.925 -0.054) 14.265 8.084 ( -1.160 1.458 -0.659) 1.976 8.265 ( -2.269 -0.931 2.913) 3.808 8.687 ( 4.648 -1.167 3.067) 5.689 8.846 ( 15.962 -3.848 -3.366) 16.760 10.516 ( 1.490 -1.009 -12.060) 12.193 11.583 ( -2.405 -2.551 11.496) 12.018 13.016 ( 1.348 -17.033 1.962) 17.199 14.050 ( -0.517 23.785 -0.955) 23.810 14.680 ( -3.048 -12.255 0.392) 12.635 15.265 ( 5.891 8.953 6.096) 12.329 15.602 ( 20.057 -2.341 -10.205) 22.626 17.956 ( -24.042 -11.635 4.997) 27.173======================= Grid point 694 (120/180) =======================q-point: ( 0.29 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.627 ( 22.771 25.516 8.709) 35.291 3.787 ( 16.508 6.550 7.407) 19.243 5.613 ( 15.113 -0.873 -11.932) 19.276 6.076 ( 5.082 13.863 -7.803) 16.701 7.253 ( -5.620 3.579 -3.628) 7.586 7.532 ( 12.767 9.935 -1.263) 16.226 8.047 ( -2.269 0.973 -2.328) 3.393 8.198 ( -4.550 1.388 3.048) 5.649 8.880 ( 15.124 -0.760 10.454) 18.401 9.199 ( 17.372 -2.301 -0.836) 17.543 10.603 ( 7.092 -0.475 -12.080) 14.016 11.543 ( -2.282 -4.231 11.813) 12.754 13.048 ( 2.327 -13.097 1.666) 13.406 14.093 ( 4.757 16.013 -0.102) 16.704 14.593 ( -6.239 -15.453 1.308) 16.716 15.236 ( -7.464 12.297 5.385) 15.360 15.990 ( 17.933 -6.784 -6.504) 20.246 17.521 ( -18.766 -10.259 6.757) 22.429======================= Grid point 695 (121/180) =======================q-point: ( 0.36 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.106 ( 24.730 28.313 5.144) 37.943 4.195 ( 23.903 0.816 -1.563) 23.968 5.709 ( -4.131 1.631 -13.656) 14.360 6.033 ( -10.186 17.819 -4.088) 20.928 7.184 ( 2.079 -2.162 -5.286) 6.078 7.764 ( 8.237 4.777 -0.086) 9.522 7.993 ( -3.624 -0.162 -3.294) 4.900 8.095 ( -4.770 3.697 1.276) 6.168 9.234 ( 18.419 -0.373 12.846) 22.459 9.503 ( 12.764 -0.831 -1.180) 12.845 10.780 ( 10.081 -0.794 -8.161) 12.995 11.475 ( -4.806 -5.136 11.690) 13.643 13.136 ( 7.143 -10.016 1.327) 12.374 14.227 ( 8.282 9.725 0.527) 12.785 14.406 ( -13.082 -16.607 2.210) 21.256 15.023 ( -12.235 11.226 3.147) 16.900 16.313 ( 14.608 -7.622 -2.121) 16.613 17.216 ( -12.253 -8.613 7.885) 16.927======================= Grid point 696 (122/180) =======================q-point: ( 0.43 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.606 ( 25.264 18.154 1.875) 31.167 4.698 ( 25.551 7.922 -6.700) 27.577 5.503 ( -15.343 3.503 -11.531) 19.510 5.701 ( -21.432 20.034 -3.295) 29.522 7.328 ( 10.831 -4.401 -4.100) 12.389 7.783 ( -7.862 -4.067 0.814) 8.889 7.952 ( 1.980 5.188 -3.168) 6.394 8.036 ( -1.772 3.742 -1.515) 4.409 9.553 ( 12.629 0.071 9.003) 15.510 9.692 ( 5.703 -0.099 0.028) 5.704 10.983 ( 9.984 -1.809 -1.403) 10.243 11.349 ( -7.731 -4.663 9.957) 13.441 13.348 ( 14.104 -9.381 1.277) 16.987 14.074 ( -19.264 -13.764 2.319) 23.789 14.408 ( 9.498 6.183 0.941) 11.372 14.795 ( -10.391 7.415 1.772) 12.888 16.578 ( 12.189 -7.670 1.858) 14.521 17.003 ( -9.876 -7.666 7.350) 14.503======================= Grid point 697 (123/180) =======================q-point: (-0.50 0.07 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.060 ( -12.444 7.535 -4.249) 15.156 5.060 ( 12.444 7.535 -4.249) 15.156 5.263 ( -14.777 17.216 -6.468) 23.592 5.263 ( 14.777 17.216 -6.468) 23.592 7.566 ( -12.250 -4.497 -1.847) 13.180 7.566 ( 12.250 -4.497 -1.847) 13.180 8.000 ( -2.121 3.927 -2.063) 4.917 8.000 ( 2.121 3.927 -2.063) 4.917 9.716 ( -3.497 0.182 3.603) 5.024 9.716 ( 3.497 0.182 3.603) 5.024 11.176 ( -9.351 -3.291 5.508) 11.340 11.176 ( 9.351 -3.291 5.508) 11.340 13.683 ( -18.991 -10.736 1.706) 21.882 13.683 ( 18.991 -10.736 1.706) 21.882 14.599 ( -9.592 5.280 1.287) 11.025 14.599 ( 9.592 5.280 1.287) 11.025 16.803 ( -10.481 -7.517 5.174) 13.897 16.803 ( 10.481 -7.517 5.174) 13.897======================= Grid point 707 (124/180) =======================q-point: ( 0.14 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.213 ( 6.969 6.969 27.410) 29.128 4.067 ( 28.272 28.272 19.857) 44.642 4.291 ( 19.522 19.522 -12.323) 30.234 5.889 ( 11.054 11.054 -14.236) 21.143 6.915 ( 25.810 25.810 0.714) 36.508 7.928 ( 5.242 5.242 13.545) 15.441 8.113 ( 0.359 0.359 -1.146) 1.254 8.180 ( -1.940 -1.940 0.097) 2.746 8.542 ( 4.270 4.270 -11.562) 13.043 8.686 ( -3.735 -3.735 -2.973) 6.061 10.494 ( -1.327 -1.327 -10.962) 11.122 11.591 ( -4.571 -4.571 11.582) 13.264 12.785 ( -4.822 -4.822 2.928) 7.421 14.500 ( 5.140 5.140 -0.684) 7.302 14.579 ( -6.983 -6.983 -0.662) 9.897 14.984 ( 14.422 14.422 -6.652) 21.453 15.492 ( 9.073 9.073 -0.213) 12.832 18.086 ( -21.006 -21.006 4.335) 30.022======================= Grid point 708 (125/180) =======================q-point: ( 0.21 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.418 ( 14.548 5.932 16.624) 22.873 4.255 ( 7.737 46.584 7.187) 47.766 5.068 ( 38.050 1.217 -4.210) 38.302 6.116 ( 11.565 9.843 -14.769) 21.184 7.392 ( 20.375 21.793 0.451) 29.837 7.796 ( -13.936 12.731 6.241) 19.881 8.105 ( -0.219 0.052 -1.647) 1.662 8.242 ( 2.069 -1.113 5.017) 5.540 8.666 ( 4.636 -0.478 3.039) 5.564 8.765 ( 16.379 -2.976 -8.565) 18.722 10.501 ( 2.476 -0.048 -12.088) 12.340 11.501 ( -4.416 -5.745 11.698) 13.761 12.761 ( 1.410 -8.249 2.916) 8.862 14.442 ( -6.702 -10.596 -0.230) 12.540 14.450 ( -5.449 12.923 -1.108) 14.069 15.347 ( 15.990 1.259 0.064) 16.039 15.628 ( 5.399 4.180 -3.693) 7.763 17.641 ( -22.135 -18.876 5.663) 29.637======================= Grid point 709 (126/180) =======================q-point: ( 0.29 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.788 ( 21.951 5.975 5.875) 23.496 4.475 ( 14.472 44.503 6.938) 47.309 5.634 ( 17.913 3.080 -8.345) 20.000 6.325 ( 8.565 9.834 -12.673) 18.185 7.454 ( -15.693 14.526 2.216) 21.498 7.739 ( 10.717 11.234 1.705) 15.620 8.070 ( -2.839 1.323 -5.281) 6.141 8.236 ( -2.166 2.330 3.868) 5.008 8.865 ( 15.415 -0.388 9.027) 17.868 9.145 ( 19.392 -2.514 -4.086) 19.976 10.597 ( 6.961 0.166 -10.736) 12.797 11.414 ( -4.332 -8.580 11.785) 15.208 12.817 ( 4.113 -9.127 2.444) 10.305 14.292 ( -8.672 -14.567 0.461) 16.959 14.372 ( -1.742 9.738 -0.749) 9.921 15.413 ( -8.464 4.447 5.299) 10.932 15.841 ( 15.159 -6.555 -7.022) 17.946 17.256 ( -15.739 -14.870 7.289) 22.847======================= Grid point 710 (127/180) =======================q-point: ( 0.36 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.263 ( 24.965 6.662 -1.633) 25.890 4.827 ( 20.484 40.940 6.642) 46.258 5.784 ( -2.000 5.843 -11.786) 13.307 6.414 ( -1.717 17.048 -6.314) 18.261 7.192 ( -7.348 4.401 -1.304) 8.663 7.840 ( -2.061 2.204 1.629) 3.429 8.034 ( 0.536 4.597 -5.686) 7.331 8.175 ( -3.377 4.091 0.985) 5.395 9.228 ( 19.031 0.009 10.583) 21.776 9.486 ( 14.146 -0.703 -2.921) 14.462 10.761 ( 8.851 -1.057 -6.429) 10.990 11.323 ( -4.952 -9.893 11.394) 15.882 12.932 ( 7.814 -9.383 1.792) 12.341 14.081 ( -12.784 -15.805 1.152) 20.361 14.387 ( 3.066 4.117 -0.221) 5.138 15.151 ( -15.470 0.349 2.784) 15.722 16.139 ( 14.196 -8.094 -2.826) 16.584 17.008 ( -9.950 -10.755 7.901) 16.646======================= Grid point 711 (128/180) =======================q-point: ( 0.43 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.759 ( 24.350 7.754 -5.575) 26.156 5.265 ( 21.694 35.904 5.098) 42.258 5.615 ( -12.504 8.049 -11.752) 18.954 6.201 ( -18.079 27.710 -0.477) 33.090 7.224 ( 8.831 -5.352 -4.679) 11.337 7.696 ( -10.730 -4.570 -1.404) 11.747 8.065 ( 1.520 5.875 -2.723) 6.652 8.120 ( -2.005 4.363 -1.011) 4.907 9.559 ( 13.076 0.660 7.169) 14.927 9.693 ( 6.332 0.414 -1.222) 6.462 10.931 ( 8.003 -3.338 -0.242) 8.674 11.213 ( -6.152 -8.782 9.639) 14.418 13.140 ( 13.056 -10.548 1.364) 16.840 13.783 ( -16.698 -14.761 1.448) 22.334 14.484 ( 6.501 -0.438 0.274) 6.522 14.860 ( -12.907 -2.527 1.430) 13.229 16.403 ( 12.324 -8.293 0.887) 14.881 16.825 ( -9.100 -8.736 6.755) 14.310======================= Grid point 712 (129/180) =======================q-point: (-0.50 0.14 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.213 ( -20.405 9.032 -7.356) 23.496 5.213 ( 20.405 9.032 -7.356) 23.496 5.779 ( -22.652 31.374 0.826) 38.705 5.779 ( 22.652 31.374 0.826) 38.705 7.454 ( -12.759 -6.449 -3.715) 14.771 7.454 ( 12.759 -6.449 -3.715) 14.771 8.090 ( -1.214 4.719 -1.714) 5.165 8.090 ( 1.214 4.719 -1.714) 5.165 9.725 ( -3.367 0.870 2.339) 4.191 9.725 ( 3.367 0.870 2.339) 4.191 11.080 ( -7.080 -6.184 5.710) 10.999 11.080 ( 7.080 -6.184 5.710) 10.999 13.442 ( -16.769 -12.580 1.352) 21.007 13.442 ( 16.769 -12.580 1.352) 21.007 14.641 ( -9.278 -2.841 0.755) 9.733 14.641 ( 9.278 -2.841 0.755) 9.733 16.631 ( -10.532 -8.262 4.223) 14.036 16.631 ( 10.532 -8.262 4.223) 14.036======================= Grid point 723 (130/180) =======================q-point: ( 0.21 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.619 ( 14.638 14.638 9.311) 22.699 5.111 ( 23.364 23.364 19.839) 38.541 5.169 ( 21.954 21.954 -16.584) 35.200 6.306 ( 9.599 9.599 -16.761) 21.568 7.741 ( 8.102 8.102 4.419) 12.281 7.950 ( 1.540 1.540 2.071) 3.006 8.147 ( 4.591 4.591 14.206) 15.620 8.225 ( 0.309 0.309 -6.699) 6.714 8.695 ( 4.585 4.585 4.939) 8.151 8.812 ( 9.752 9.752 -11.959) 18.254 10.528 ( 2.875 2.875 -11.110) 11.830 11.363 ( -7.652 -7.652 11.619) 15.878 12.673 ( -1.163 -1.163 2.976) 3.400 14.225 ( -10.511 -10.511 -0.367) 14.869 14.540 ( -3.304 -3.304 -0.369) 4.687 15.449 ( 7.767 7.767 -0.410) 10.991 15.666 ( -0.881 -0.881 -3.439) 3.658 17.264 ( -17.344 -17.344 6.920) 25.485======================= Grid point 724 (131/180) =======================q-point: ( 0.29 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.991 ( 22.143 14.547 2.965) 26.659 5.323 ( 12.076 37.699 7.153) 40.227 5.736 ( 20.177 7.145 -4.868) 21.951 6.490 ( 8.406 8.021 -16.362) 20.068 7.628 ( -13.309 0.592 11.416) 17.544 8.044 ( 1.404 17.617 0.067) 17.673 8.105 ( -2.443 2.119 -6.673) 7.415 8.276 ( 0.812 1.257 2.271) 2.720 8.890 ( 15.015 3.748 7.522) 17.207 9.133 ( 19.467 2.542 -7.303) 20.947 10.616 ( 5.774 1.794 -8.435) 10.378 11.214 ( -6.934 -10.995 11.278) 17.210 12.692 ( 2.656 -3.732 2.464) 5.201 14.015 ( -10.901 -13.279 -0.101) 17.181 14.426 ( -6.047 -4.228 -0.242) 7.382 15.372 ( -15.518 -9.785 3.412) 18.660 15.788 ( 12.764 2.377 -6.849) 14.679 16.994 ( -9.728 -10.140 7.987) 16.163======================= Grid point 725 (132/180) =======================q-point: ( 0.36 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.472 ( 25.412 14.370 -1.524) 29.234 5.614 ( 16.893 34.848 9.731) 39.930 5.942 ( 0.663 9.866 -8.805) 13.240 6.644 ( 7.319 7.742 -13.298) 17.040 7.332 ( -14.949 5.596 10.246) 18.968 7.888 ( -11.459 4.174 -7.066) 14.095 8.155 ( 2.142 6.615 -2.136) 7.274 8.251 ( -2.497 3.518 0.139) 4.316 9.250 ( 19.287 2.804 7.447) 20.864 9.492 ( 15.352 1.970 -4.634) 16.156 10.741 ( 6.285 -0.925 -3.877) 7.442 11.096 ( -4.878 -12.298 10.457) 16.864 12.778 ( 6.159 -6.130 1.670) 8.849 13.780 ( -12.912 -14.395 0.302) 19.340 14.341 ( -2.065 -8.665 -0.045) 8.908 15.000 ( -19.391 -15.511 1.747) 24.893 16.053 ( 13.118 0.165 -3.835) 13.668 16.842 ( -6.626 -5.394 7.485) 11.359======================= Grid point 726 (133/180) =======================q-point: ( 0.43 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.978 ( 24.760 14.229 -4.413) 28.897 5.794 ( -13.497 13.311 -6.836) 20.152 5.989 ( 19.724 29.760 8.107) 36.612 6.694 ( -7.345 18.866 -0.400) 20.250 7.148 ( 1.354 -1.586 -2.094) 2.955 7.627 ( -14.331 -0.526 -9.038) 16.951 8.174 ( 0.164 4.696 -1.160) 4.840 8.202 ( -2.039 3.776 -0.750) 4.357 9.589 ( 13.525 2.821 4.619) 14.568 9.719 ( 7.064 2.631 -2.538) 7.954 10.853 ( 4.803 -4.478 1.512) 6.738 11.012 ( -3.803 -10.875 8.696) 14.435 12.945 ( 10.759 -8.828 1.002) 13.954 13.499 ( -15.021 -13.612 0.580) 20.280 14.347 ( 2.643 -13.214 0.188) 13.477 14.661 ( -13.943 -17.241 0.924) 22.192 16.302 ( 11.823 -1.324 -0.737) 11.920 16.701 ( -7.905 -3.402 5.488) 10.207======================= Grid point 727 (134/180) =======================q-point: (-0.50 0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.440 ( -21.110 13.833 -6.490) 26.059 5.440 ( 21.110 13.833 -6.490) 26.059 6.389 ( -19.461 26.044 8.306) 33.556 6.389 ( 19.461 26.044 8.306) 33.556 7.339 ( -13.788 -3.385 -9.818) 17.262 7.339 ( 13.788 -3.385 -9.818) 17.262 8.177 ( -0.478 3.794 -0.861) 3.920 8.177 ( 0.478 3.794 -0.861) 3.920 9.760 ( -3.259 2.969 0.725) 4.467 9.760 ( 3.259 2.969 0.725) 4.467 10.937 ( -3.856 -7.955 5.862) 10.607 10.937 ( 3.856 -7.955 5.862) 10.607 13.200 ( -14.402 -11.530 0.706) 18.462 13.200 ( 14.402 -11.530 0.706) 18.462 14.448 ( -7.625 -16.319 0.469) 18.018 14.448 ( 7.625 -16.319 0.469) 18.018 16.521 ( -10.074 -2.361 2.543) 10.655 16.521 ( 10.074 -2.361 2.543) 10.655======================= Grid point 739 (135/180) =======================q-point: ( 0.29 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.357 ( 21.581 21.581 0.536) 30.525 5.876 ( 14.216 14.216 19.355) 27.907 5.937 ( 15.817 15.817 -15.550) 27.243 6.665 ( 9.018 9.018 -16.810) 21.100 7.531 ( -8.992 -8.992 14.087) 18.978 8.122 ( -1.816 -1.816 -8.488) 8.868 8.257 ( 1.235 1.235 7.736) 7.930 8.309 ( 3.625 3.625 -7.016) 8.689 9.050 ( 12.582 12.582 5.977) 18.770 9.293 ( 13.419 13.419 -6.908) 20.196 10.665 ( 2.915 2.915 -5.085) 6.545 11.005 ( -9.254 -9.254 10.256) 16.627 12.655 ( -0.154 -0.154 1.940) 1.952 13.758 ( -12.572 -12.572 -0.316) 17.782 14.266 ( -9.810 -9.810 0.083) 13.874 15.035 ( -22.040 -22.040 1.855) 31.225 15.922 ( 9.579 9.579 -5.992) 14.813 16.858 ( -4.409 -4.409 7.747) 9.945======================= Grid point 740 (136/180) =======================q-point: ( 0.36 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.826 ( 24.826 20.679 -1.469) 32.344 6.096 ( 10.567 11.422 16.652) 22.791 6.167 ( 4.607 13.512 -13.109) 19.382 6.834 ( 8.672 12.069 -15.114) 21.197 7.303 ( -13.157 -7.850 14.249) 20.922 8.000 ( -10.068 5.131 -10.037) 15.114 8.254 ( -0.603 2.680 3.045) 4.101 8.319 ( -2.070 2.675 -3.919) 5.177 9.366 ( 17.776 9.367 4.117) 20.511 9.593 ( 14.509 8.585 -4.865) 17.547 10.718 ( 2.076 -1.725 -0.046) 2.699 10.866 ( -4.549 -9.823 8.115) 13.529 12.684 ( 3.143 -3.396 1.103) 4.756 13.507 ( -12.862 -13.025 -0.336) 18.308 14.091 ( -6.927 -14.618 0.162) 16.177 14.582 ( -21.536 -24.413 1.105) 32.573 16.128 ( 10.626 6.359 -4.574) 13.201 16.779 ( -4.268 -1.823 6.203) 7.747======================= Grid point 741 (137/180) =======================q-point: ( 0.43 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.319 ( 23.992 19.629 -3.348) 31.179 6.079 ( -11.278 15.256 -7.031) 20.233 6.345 ( 13.475 4.429 12.291) 18.768 6.942 ( -9.444 3.126 5.661) 11.446 7.134 ( 8.055 3.793 -7.333) 11.535 7.746 ( -14.918 10.682 -12.234) 22.052 8.238 ( -0.747 1.980 1.232) 2.449 8.266 ( -2.512 2.117 -1.271) 3.523 9.691 ( 13.332 7.810 1.965) 15.576 9.817 ( 7.227 7.540 -3.131) 10.903 10.747 ( 1.111 -6.666 5.256) 8.562 10.809 ( -1.827 -8.351 5.437) 10.131 12.790 ( 7.661 -6.768 0.311) 10.227 13.243 ( -13.422 -11.960 -0.279) 17.979 14.006 ( -1.456 -19.308 0.179) 19.364 14.226 ( -13.652 -24.606 0.552) 28.145 16.335 ( 9.951 3.715 -2.284) 10.864 16.672 ( -6.505 -0.220 3.687) 7.480======================= Grid point 742 (138/180) =======================q-point: (-0.50 0.29 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.760 ( -19.764 17.951 -5.378) 27.236 5.760 ( 19.764 17.951 -5.378) 27.236 6.643 ( -16.072 -1.425 12.361) 20.326 6.643 ( 16.072 -1.425 12.361) 20.326 7.426 ( -16.569 11.886 -13.727) 24.581 7.426 ( 16.569 11.886 -13.727) 24.581 8.234 ( -0.600 1.895 0.325) 2.015 8.234 ( 0.600 1.895 0.325) 2.015 9.860 ( -3.211 7.472 -0.717) 8.165 9.860 ( 3.211 7.472 -0.717) 8.165 10.774 ( -1.691 -8.070 5.874) 10.124 10.774 ( 1.691 -8.070 5.874) 10.124 12.987 ( -11.830 -9.770 -0.130) 15.343 12.987 ( 11.830 -9.770 -0.130) 15.343 14.041 ( -5.187 -22.838 0.254) 23.421 14.041 ( 5.187 -22.838 0.254) 23.421 16.521 ( -8.603 1.519 0.655) 8.761 16.521 ( 8.603 1.519 0.655) 8.761======================= Grid point 755 (139/180) =======================q-point: ( 0.36 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.275 ( 23.734 23.734 -1.896) 33.618 6.202 ( 2.752 2.752 11.351) 12.000 6.398 ( 7.187 7.187 -12.443) 16.066 7.066 ( 10.640 10.640 -9.106) 17.588 7.077 ( -13.549 -13.549 11.155) 22.172 8.040 ( -1.697 -1.697 -8.390) 8.727 8.281 ( 0.303 0.303 3.869) 3.892 8.318 ( -2.426 -2.426 -3.703) 5.049 9.617 ( 14.852 14.852 1.608) 21.065 9.812 ( 11.981 11.981 -4.011) 17.412 10.652 ( -4.186 -4.186 7.167) 9.296 10.741 ( -3.230 -3.230 2.385) 5.152 12.644 ( -0.362 -0.362 0.264) 0.576 13.258 ( -12.006 -12.006 -0.822) 16.999 13.817 ( -11.971 -11.971 0.124) 16.930 14.102 ( -22.137 -22.137 0.616) 31.313 16.273 ( 7.620 7.620 -4.367) 11.627 16.739 ( -2.614 -2.614 4.178) 5.579======================= Grid point 756 (140/180) =======================q-point: ( 0.43 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.742 ( 22.283 22.289 -3.090) 31.668 6.275 ( 4.826 -3.212 7.573) 9.537 6.394 ( -6.343 9.452 -8.169) 14.011 6.789 ( -14.999 -10.608 6.776) 19.581 7.314 ( 14.915 7.595 -7.305) 18.262 7.913 ( -10.994 3.795 -8.818) 14.596 8.264 ( -1.085 0.332 1.472) 1.859 8.281 ( -1.021 0.466 1.772) 2.098 9.900 ( 12.059 12.522 0.017) 17.384 10.011 ( 6.847 11.041 -3.080) 13.352 10.602 ( -0.523 -6.393 7.519) 9.883 10.684 ( -2.993 -5.299 3.412) 6.977 12.681 ( 4.300 -3.896 -0.566) 5.830 13.025 ( -11.364 -9.889 -1.119) 15.106 13.637 ( -5.740 -16.633 0.004) 17.595 13.748 ( -12.748 -21.926 0.188) 25.363 16.421 ( 7.182 4.536 -3.099) 9.042 16.666 ( -4.681 -0.766 1.657) 5.024======================= Grid point 757 (141/180) =======================q-point: (-0.50 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.128 ( -15.867 17.484 -4.366) 24.011 6.128 ( 15.867 17.484 -4.366) 24.011 6.495 ( -13.310 -9.056 5.282) 16.944 6.495 ( 13.310 -9.056 5.282) 16.944 7.634 ( -16.044 5.679 -8.163) 18.876 7.634 ( 16.044 5.679 -8.163) 18.876 8.262 ( -0.707 1.390 2.163) 2.666 8.262 ( 0.707 1.390 2.163) 2.666 10.055 ( -2.866 11.366 -1.637) 11.836 10.055 ( 2.866 11.366 -1.637) 11.836 10.625 ( -2.472 -6.659 5.766) 9.149 10.625 ( 2.472 -6.659 5.766) 9.149 12.817 ( -9.076 -7.091 -1.064) 11.567 12.817 ( 9.076 -7.091 -1.064) 11.567 13.600 ( -2.373 -20.162 -0.027) 20.301 13.600 ( 2.373 -20.162 -0.027) 20.301 16.556 ( -6.258 1.640 -0.948) 6.538 16.556 ( 6.258 1.640 -0.948) 6.538======================= Grid point 771 (142/180) =======================q-point: ( 0.43 0.43 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.179 ( 20.155 20.155 -3.735) 28.747 6.200 ( -1.525 -1.525 3.906) 4.462 6.396 ( -8.344 -8.344 0.235) 11.803 6.705 ( -1.038 -1.038 -6.656) 6.816 7.431 ( 6.819 6.819 -2.788) 10.039 7.859 ( -8.516 -8.516 -6.882) 13.871 8.273 ( 1.212 1.212 3.066) 3.512 8.299 ( 0.666 0.666 3.485) 3.610 10.141 ( 10.267 10.267 -0.989) 14.554 10.207 ( 7.361 7.361 -2.801) 10.781 10.516 ( -2.119 -2.119 6.838) 7.465 10.586 ( -4.423 -4.423 4.364) 7.627 12.647 ( 0.783 0.783 -1.426) 1.806 12.849 ( -7.860 -7.860 -1.815) 11.263 13.371 ( -9.572 -9.572 -0.174) 13.538 13.397 ( -12.357 -12.357 -0.048) 17.475 16.507 ( 3.975 3.975 -3.023) 6.382 16.636 ( -2.270 -2.270 -0.371) 3.232======================= Grid point 772 (143/180) =======================q-point: (-0.50 0.43 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 448Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.230 ( -5.121 -5.859 2.338) 8.125 6.230 ( 5.121 -5.859 2.338) 8.125 6.551 ( -14.193 13.181 -6.816) 20.533 6.551 ( 14.193 13.181 -6.816) 20.533 7.634 ( -12.415 -4.046 -3.875) 13.620 7.634 ( 12.415 -4.046 -3.875) 13.620 8.298 ( -0.847 1.819 3.622) 4.141 8.298 ( 0.847 1.819 3.622) 4.141 10.267 ( -1.785 8.700 -2.001) 9.103 10.267 ( 1.785 8.700 -2.001) 9.103 10.517 ( -2.071 -3.975 5.711) 7.260 10.517 ( 2.071 -3.975 5.711) 7.260 12.713 ( -5.507 -3.218 -1.955) 6.671 12.713 ( 5.507 -3.218 -1.955) 6.671 13.273 ( -0.216 -11.943 -0.177) 11.946 13.273 ( 0.216 -11.943 -0.177) 11.946 16.579 ( -3.301 0.696 -2.051) 3.948 16.579 ( 3.301 0.696 -2.051) 3.948======================= Grid point 794 (144/180) =======================q-point: (-0.50 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.159 ( 0.000 0.000 1.488) 1.488 6.159 ( 0.000 0.000 1.488) 1.488 6.711 ( -0.000 -0.000 -9.051) 9.051 6.711 ( 0.000 0.000 -9.051) 9.051 7.570 ( 0.000 0.000 -1.179) 1.179 7.570 ( 0.000 0.000 -1.179) 1.179 8.318 ( 0.000 0.000 4.006) 4.006 8.318 ( 0.000 0.000 4.006) 4.006 10.361 ( 0.000 0.000 -2.375) 2.375 10.361 ( 0.000 0.000 -2.375) 2.375 10.475 ( 0.000 0.000 6.024) 6.024 10.475 ( 0.000 0.000 6.024) 6.024 12.683 ( 0.000 0.000 -2.405) 2.405 12.683 ( 0.000 0.000 -2.405) 2.405 13.149 ( -0.000 -0.000 -0.149) 0.149 13.149 ( 0.000 0.000 -0.149) 0.149 16.586 ( 0.000 0.000 -2.452) 2.452 16.586 ( 0.000 0.000 -2.452) 2.452======================= Grid point 900 (145/180) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.660 ( -0.000 0.000 0.000) 0.000 2.660 ( -0.000 -0.000 0.000) 0.000 4.703 ( 0.000 0.000 -0.000) 0.000 5.175 ( -0.000 -0.000 0.000) 0.000 5.175 ( -0.000 -0.000 0.000) 0.000 7.862 ( -0.000 -0.000 0.000) 0.000 7.862 ( -0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.301 ( -0.000 0.000 0.000) 0.000 8.827 ( -0.000 0.000 0.000) 0.000 10.690 ( -0.000 0.000 0.000) 0.000 12.420 ( -0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.790 ( 0.000 0.000 0.000) 0.000 14.846 ( 0.000 0.000 0.000) 0.000 14.846 ( 0.000 -0.000 0.000) 0.000 19.072 ( 0.000 0.000 0.000) 0.000======================= Grid point 902 (146/180) =======================q-point: ( 0.07 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.696 ( 3.744 0.000 0.000) 3.744 3.123 ( 41.493 0.000 0.000) 41.493 4.347 ( -22.087 0.000 0.000) 22.087 5.242 ( 6.578 0.000 0.000) 6.578 5.618 ( 31.066 0.000 0.000) 31.066 7.808 ( -5.368 0.000 0.000) 5.368 8.033 ( 15.966 0.000 0.000) 15.966 8.261 ( -3.735 0.000 0.000) 3.735 8.304 ( 0.262 0.000 0.000) 0.262 8.780 ( -4.083 0.000 0.000) 4.083 10.617 ( -6.581 0.000 0.000) 6.581 12.110 ( -20.089 0.000 0.000) 20.089 13.436 ( 3.281 0.000 0.000) 3.281 13.480 ( 0.011 0.000 0.000) 0.011 14.172 ( 34.194 0.000 0.000) 34.194 14.851 ( 0.427 0.000 0.000) 0.427 14.930 ( 7.572 0.000 0.000) 7.572 18.942 ( -12.711 0.000 0.000) 12.711======================= Grid point 904 (147/180) =======================q-point: ( 0.14 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.816 ( 8.585 0.000 0.000) 8.585 3.979 ( -13.792 0.000 -0.000) 13.792 4.080 ( 49.696 0.000 0.000) 49.696 5.425 ( 11.250 0.000 0.000) 11.250 6.265 ( 32.654 0.000 0.000) 32.654 7.653 ( -9.972 0.000 0.000) 9.972 8.171 ( -4.738 0.000 0.000) 4.738 8.305 ( -0.400 0.000 0.000) 0.400 8.429 ( 22.037 0.000 -0.000) 22.037 8.708 ( -1.808 0.000 0.000) 1.808 10.471 ( -6.910 0.000 0.000) 6.910 11.817 ( -8.786 0.000 0.000) 8.786 13.421 ( -4.820 0.000 0.000) 4.820 13.533 ( 6.430 0.000 0.000) 6.430 14.861 ( 0.474 0.000 0.000) 0.474 14.888 ( 34.614 0.000 0.000) 34.614 15.098 ( 7.909 0.000 0.000) 7.909 18.591 ( -21.582 0.000 0.000) 21.582======================= Grid point 906 (148/180) =======================q-point: ( 0.21 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.046 ( 14.585 0.000 0.000) 14.585 3.822 ( -1.731 0.000 0.000) 1.731 4.955 ( 35.418 0.000 0.000) 35.418 5.666 ( 12.059 0.000 0.000) 12.059 6.880 ( 28.234 0.000 0.000) 28.234 7.425 ( -12.323 0.000 0.000) 12.323 8.089 ( -3.431 0.000 0.000) 3.431 8.279 ( -2.386 0.000 0.000) 2.386 8.761 ( 8.258 0.000 0.000) 8.258 8.861 ( 20.506 0.000 0.000) 20.506 10.383 ( -1.082 0.000 0.000) 1.082 11.727 ( -1.555 0.000 0.000) 1.555 13.314 ( -5.328 0.000 0.000) 5.328 13.690 ( 9.149 0.000 0.000) 9.149 14.865 ( -0.161 0.000 0.000) 0.161 15.194 ( 0.555 0.000 0.000) 0.555 15.508 ( 27.490 0.000 0.000) 27.490 18.128 ( -23.569 0.000 0.000) 23.569======================= Grid point 908 (149/180) =======================q-point: ( 0.29 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.398 ( 20.641 0.000 0.000) 20.641 3.908 ( 9.965 0.000 0.000) 9.965 5.438 ( 13.135 0.000 0.000) 13.135 5.855 ( 5.234 0.000 0.000) 5.234 7.203 ( -8.394 0.000 0.000) 8.394 7.364 ( 20.054 0.000 0.000) 20.054 8.030 ( -2.466 0.000 0.000) 2.466 8.203 ( -5.429 0.000 0.000) 5.429 9.042 ( 18.637 0.000 0.000) 18.637 9.224 ( 15.647 0.000 0.000) 15.647 10.449 ( 7.858 0.000 0.000) 7.858 11.708 ( -1.251 0.000 0.000) 1.251 13.235 ( -1.912 0.000 0.000) 1.912 13.892 ( 10.987 0.000 0.000) 10.987 14.849 ( -1.615 0.000 0.000) 1.615 15.087 ( -11.605 0.000 0.000) 11.605 15.992 ( 21.428 0.000 0.000) 21.428 17.700 ( -18.561 0.000 0.000) 18.561======================= Grid point 910 (150/180) =======================q-point: ( 0.36 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.859 ( 25.338 0.000 0.000) 25.338 4.193 ( 17.858 0.000 0.000) 17.858 5.516 ( -3.970 0.000 0.000) 3.970 5.804 ( -11.020 0.000 0.000) 11.020 7.155 ( 4.222 0.000 0.000) 4.222 7.680 ( 11.913 0.000 0.000) 11.913 7.992 ( -1.445 0.000 0.000) 1.445 8.061 ( -8.837 0.000 0.000) 8.837 9.423 ( 17.536 0.000 -0.000) 17.536 9.487 ( 11.009 0.000 0.000) 11.009 10.678 ( 14.190 0.000 0.000) 14.190 11.651 ( -4.934 0.000 0.000) 4.934 13.266 ( 5.598 0.000 0.000) 5.598 14.119 ( 11.565 0.000 0.000) 11.565 14.747 ( -21.413 0.000 0.000) 21.413 14.796 ( -3.800 0.000 0.000) 3.800 16.374 ( 17.182 0.000 0.000) 17.182 17.395 ( -12.612 0.000 0.000) 12.612======================= Grid point 912 (151/180) =======================q-point: ( 0.43 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.393 ( 27.727 0.000 0.000) 27.727 4.586 ( 20.770 0.000 0.000) 20.770 5.328 ( -13.919 0.000 0.000) 13.919 5.452 ( -22.769 0.000 0.000) 22.769 7.334 ( 12.244 0.000 0.000) 12.244 7.853 ( -11.817 0.000 0.000) 11.817 7.854 ( 5.952 0.000 0.000) 5.952 7.968 ( -1.185 0.000 0.000) 1.185 9.668 ( 7.055 0.000 -0.000) 7.055 9.685 ( 8.257 0.000 0.000) 8.257 10.979 ( 15.380 0.000 0.000) 15.380 11.505 ( -9.714 0.000 0.000) 9.714 13.468 ( 14.493 0.000 0.000) 14.493 14.283 ( -23.993 0.000 0.000) 23.993 14.344 ( 10.791 0.000 0.000) 10.791 14.695 ( -6.396 0.000 0.000) 6.396 16.685 ( 14.195 0.000 0.000) 14.195 17.169 ( -10.795 0.000 0.000) 10.795======================= Grid point 914 (152/180) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.946 ( -27.243 0.000 0.000) 27.243 4.946 ( 27.243 0.000 0.000) 27.243 4.991 ( -19.254 0.000 0.000) 19.254 4.991 ( 19.254 0.000 0.000) 19.254 7.598 ( -13.495 0.000 0.000) 13.495 7.598 ( 13.495 0.000 0.000) 13.495 7.934 ( -2.483 0.000 0.000) 2.483 7.934 ( 2.483 0.000 0.000) 2.483 9.754 ( -0.969 0.000 0.000) 0.969 9.754 ( 0.969 0.000 0.000) 0.969 11.271 ( -13.500 0.000 0.000) 13.500 11.271 ( 13.500 0.000 0.000) 13.500 13.827 ( -21.079 0.000 0.000) 21.079 13.827 ( 21.079 0.000 0.000) 21.079 14.542 ( -8.910 0.000 0.000) 8.910 14.542 ( 8.910 0.000 0.000) 8.910 16.945 ( -11.954 0.000 0.000) 11.954 16.945 ( 11.954 0.000 0.000) 11.954======================= Grid point 932 (153/180) =======================q-point: ( 0.07 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.087 ( 19.213 19.213 0.000) 27.171 3.208 ( 24.149 24.149 0.000) 34.151 4.133 ( -16.262 -16.262 0.000) 22.998 5.342 ( 7.703 7.703 0.000) 10.893 5.895 ( 24.696 24.696 0.000) 34.926 7.915 ( 3.052 3.052 0.000) 4.316 8.027 ( 6.138 6.138 0.000) 8.681 8.224 ( -3.345 -3.345 0.000) 4.731 8.313 ( 0.601 0.601 0.000) 0.850 8.743 ( -3.189 -3.189 0.000) 4.510 10.555 ( -5.593 -5.593 0.000) 7.909 11.979 ( -10.697 -10.697 0.000) 15.128 13.093 ( -9.012 -9.012 0.000) 12.745 14.128 ( 23.178 23.178 0.000) 32.779 14.150 ( 11.082 11.082 0.000) 15.672 14.779 ( -3.412 -3.412 0.000) 4.825 15.075 ( 10.019 10.019 0.000) 14.168 18.814 ( -12.562 -12.562 0.000) 17.765======================= Grid point 934 (154/180) =======================q-point: ( 0.14 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.230 ( 7.186 37.201 0.000) 37.889 3.846 ( -10.730 -10.609 0.000) 15.089 4.103 ( 49.025 2.755 0.000) 49.102 5.529 ( 11.040 8.376 0.000) 13.857 6.462 ( 29.816 18.891 0.000) 35.296 7.794 ( -10.268 13.559 0.000) 17.008 8.148 ( -3.825 -1.976 0.000) 4.305 8.320 ( -0.050 1.282 0.000) 1.283 8.363 ( 21.383 -6.588 -0.000) 22.374 8.688 ( -1.193 -1.763 0.000) 2.129 10.432 ( -5.624 -3.395 0.000) 6.569 11.790 ( -6.920 -2.747 0.000) 7.445 13.020 ( -0.156 -16.461 0.000) 16.462 14.077 ( -3.212 29.642 0.000) 29.816 14.728 ( -2.035 -8.615 0.000) 8.852 14.849 ( 33.332 -3.124 0.000) 33.478 15.271 ( 8.658 12.166 0.000) 14.932 18.467 ( -21.315 -12.149 0.000) 24.535======================= Grid point 936 (155/180) =======================q-point: ( 0.21 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.426 ( 12.746 34.903 0.000) 37.158 3.743 ( 0.722 -6.121 0.000) 6.163 4.973 ( 35.564 2.110 0.000) 35.627 5.769 ( 12.438 8.227 0.000) 14.913 7.015 ( 24.049 13.947 0.000) 27.800 7.557 ( -12.361 12.320 0.000) 17.452 8.080 ( -3.038 -0.712 0.000) 3.121 8.302 ( -2.065 1.953 0.000) 2.842 8.747 ( 8.260 -1.302 0.000) 8.362 8.799 ( 21.339 -6.131 0.000) 22.202 10.369 ( -0.004 -1.128 0.000) 1.128 11.705 ( -2.280 -2.379 0.000) 3.296 13.038 ( 1.247 -16.163 0.000) 16.211 14.039 ( 0.039 23.036 0.000) 23.036 14.685 ( -2.611 -12.614 0.000) 12.881 15.380 ( 1.290 12.796 -0.000) 12.861 15.445 ( 26.522 -5.715 0.000) 27.131 18.011 ( -23.102 -11.405 0.000) 25.763======================= Grid point 938 (156/180) =======================q-point: ( 0.29 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.740 ( 18.690 31.918 0.000) 36.988 3.872 ( 11.884 -2.296 0.000) 12.104 5.463 ( 13.553 2.712 0.000) 13.822 5.985 ( 7.663 10.514 0.000) 13.011 7.214 ( -7.304 5.363 0.000) 9.061 7.521 ( 13.260 11.889 0.000) 17.809 8.020 ( -3.045 -0.886 0.000) 3.171 8.231 ( -5.019 2.551 0.000) 5.630 9.025 ( 18.512 -1.575 0.000) 18.579 9.185 ( 16.964 -3.770 0.000) 17.378 10.451 ( 8.248 0.250 0.000) 8.252 11.668 ( -2.116 -4.142 0.000) 4.651 13.067 ( 2.130 -12.431 0.000) 12.612 14.092 ( 5.164 15.256 0.000) 16.106 14.607 ( -5.700 -15.861 0.000) 16.854 15.300 ( -9.124 12.665 0.000) 15.609 15.914 ( 20.896 -7.209 0.000) 22.105 17.595 ( -17.830 -10.080 0.000) 20.482======================= Grid point 940 (157/180) =======================q-point: ( 0.36 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.163 ( 23.421 28.715 0.000) 37.055 4.189 ( 19.083 0.499 0.000) 19.089 5.548 ( -3.694 3.350 0.000) 4.987 5.992 ( -8.456 16.784 0.000) 18.793 7.126 ( 1.985 -1.504 0.000) 2.491 7.768 ( 9.825 7.756 0.000) 12.517 7.951 ( -4.628 -2.988 0.000) 5.509 8.111 ( -6.274 3.788 0.000) 7.329 9.406 ( 17.707 -1.591 -0.000) 17.778 9.471 ( 11.938 -1.507 0.000) 12.032 10.679 ( 13.786 0.125 0.000) 13.787 11.600 ( -5.111 -5.178 0.000) 7.276 13.151 ( 6.997 -9.614 0.000) 11.891 14.233 ( 8.592 9.127 0.000) 12.535 14.430 ( -12.734 -17.279 0.000) 21.465 15.058 ( -13.438 11.361 0.000) 17.597 16.289 ( 16.993 -7.903 0.000) 18.741 17.304 ( -12.046 -8.593 0.000) 14.797======================= Grid point 942 (158/180) =======================q-point: ( 0.43 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.599 ( 21.262 2.150 0.000) 21.371 4.658 ( 25.704 25.378 0.000) 36.121 5.365 ( -13.546 3.806 0.000) 14.071 5.676 ( -21.378 20.829 0.000) 29.847 7.283 ( 11.951 -4.715 0.000) 12.848 7.797 ( -10.879 -4.627 -0.000) 11.822 7.911 ( 4.877 5.170 0.000) 7.107 8.022 ( -2.656 4.200 0.000) 4.970 9.664 ( 7.346 -0.343 -0.000) 7.354 9.675 ( 8.653 -0.985 0.000) 8.708 10.967 ( 14.472 -1.272 0.000) 14.528 11.457 ( -9.181 -4.750 0.000) 10.337 13.362 ( 14.195 -9.216 0.000) 16.924 14.100 ( -19.514 -14.245 0.000) 24.160 14.418 ( 9.712 5.712 0.000) 11.267 14.815 ( -10.830 7.409 0.000) 13.122 16.599 ( 14.242 -8.017 0.000) 16.343 17.084 ( -10.659 -7.861 0.000) 13.244======================= Grid point 944 (159/180) =======================q-point: (-0.50 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.993 ( -14.307 4.447 0.000) 14.982 4.993 ( 14.307 4.447 0.000) 14.982 5.214 ( -20.701 21.785 0.000) 30.052 5.214 ( 20.701 21.785 0.000) 30.052 7.546 ( -13.587 -4.908 0.000) 14.446 7.546 ( 13.587 -4.908 0.000) 14.446 7.979 ( -2.304 3.972 0.000) 4.592 7.979 ( 2.304 3.972 0.000) 4.592 9.750 ( -0.751 -0.312 0.000) 0.813 9.750 ( 0.751 -0.312 0.000) 0.813 11.239 ( -12.554 -3.201 0.000) 12.956 11.239 ( 12.554 -3.201 0.000) 12.956 13.702 ( -19.332 -10.830 0.000) 22.159 13.702 ( 19.332 -10.830 0.000) 22.159 14.613 ( -9.780 4.986 0.000) 10.978 14.613 ( 9.780 4.986 0.000) 10.978 16.860 ( -12.045 -7.847 0.000) 14.376 16.860 ( 12.045 -7.847 0.000) 14.376======================= Grid point 964 (160/180) =======================q-point: ( 0.14 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.666 ( -5.661 -5.661 0.000) 8.006 3.996 ( 24.617 24.617 0.000) 34.814 4.306 ( 28.540 28.540 0.000) 40.362 5.711 ( 9.862 9.862 0.000) 13.947 6.932 ( 25.569 25.569 0.000) 36.161 8.106 ( -2.007 -2.007 0.000) 2.838 8.147 ( 8.952 8.952 0.000) 12.660 8.182 ( 0.595 0.595 0.000) 0.841 8.344 ( 0.841 0.841 0.000) 1.189 8.660 ( -0.232 -0.232 0.000) 0.328 10.364 ( -2.665 -2.665 0.000) 3.769 11.715 ( -4.458 -4.458 0.000) 6.305 12.817 ( -4.652 -4.652 0.000) 6.579 14.493 ( 5.276 5.276 0.000) 7.461 14.572 ( -7.023 -7.023 0.000) 9.932 14.907 ( 15.637 15.637 0.000) 22.115 15.496 ( 9.248 9.248 0.000) 13.079 18.133 ( -20.418 -20.418 0.000) 28.876======================= Grid point 966 (161/180) =======================q-point: ( 0.21 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.660 ( 5.382 -0.682 0.000) 5.425 4.258 ( 11.359 43.764 0.000) 45.214 5.063 ( 35.165 8.011 0.000) 36.066 5.926 ( 11.672 7.283 0.000) 13.758 7.399 ( 19.838 21.930 0.000) 29.572 7.873 ( -16.233 18.155 0.000) 24.354 8.064 ( -2.570 -1.088 0.000) 2.791 8.343 ( -1.210 1.894 0.000) 2.247 8.636 ( 24.374 -8.948 0.000) 25.964 8.724 ( 7.878 -0.343 0.000) 7.886 10.355 ( 2.312 0.237 0.000) 2.324 11.625 ( -4.348 -5.664 0.000) 7.140 12.793 ( 1.257 -8.011 0.000) 8.109 14.437 ( -5.256 14.225 0.000) 15.165 14.440 ( -6.521 -11.641 0.000) 13.343 15.337 ( 22.576 -2.634 0.000) 22.729 15.599 ( 0.167 7.871 0.000) 7.872 17.704 ( -21.234 -18.336 0.000) 28.055======================= Grid point 968 (162/180) =======================q-point: ( 0.29 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.874 ( 15.601 3.541 0.000) 15.998 4.530 ( 16.113 43.483 0.000) 46.372 5.563 ( 14.411 7.972 0.000) 16.469 6.164 ( 11.590 6.217 0.000) 13.153 7.478 ( -16.062 19.741 0.000) 25.450 7.770 ( 10.762 12.468 0.000) 16.471 7.994 ( -4.470 -1.952 0.000) 4.877 8.289 ( -4.151 2.952 0.000) 5.094 8.989 ( 17.848 -1.618 0.000) 17.921 9.091 ( 20.434 -4.933 0.000) 21.021 10.466 ( 8.763 1.538 0.000) 8.897 11.540 ( -4.346 -8.677 0.000) 9.705 12.844 ( 3.769 -8.934 0.000) 9.697 14.297 ( -8.259 -14.985 0.000) 17.110 14.364 ( -1.448 9.796 0.000) 9.903 15.482 ( -11.693 4.060 0.000) 12.378 15.755 ( 19.220 -6.972 0.000) 20.446 17.337 ( -14.980 -14.471 0.000) 20.828======================= Grid point 970 (163/180) =======================q-point: ( 0.36 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.252 ( 21.516 6.501 0.000) 22.477 4.896 ( 20.391 41.667 0.000) 46.389 5.661 ( -3.320 8.507 0.000) 9.132 6.335 ( 3.009 13.432 0.000) 13.765 7.180 ( -10.093 9.343 0.000) 13.754 7.878 ( -7.617 -4.625 -0.000) 8.911 7.948 ( 6.434 9.590 0.000) 11.548 8.192 ( -5.022 4.052 0.000) 6.453 9.366 ( 18.094 -2.089 0.000) 18.214 9.436 ( 14.246 -1.608 0.000) 14.337 10.684 ( 12.326 0.479 0.000) 12.336 11.445 ( -5.393 -10.198 0.000) 11.536 12.952 ( 7.476 -9.303 0.000) 11.935 14.093 ( -12.475 -16.341 0.000) 20.559 14.384 ( 3.362 4.003 0.000) 5.228 15.182 ( -16.587 -0.183 0.000) 16.588 16.108 ( 16.410 -8.589 0.000) 18.522 17.095 ( -10.103 -10.810 0.000) 14.796======================= Grid point 972 (164/180) =======================q-point: ( 0.43 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.699 ( 22.659 8.243 0.000) 24.111 5.325 ( 20.902 39.178 0.000) 44.405 5.485 ( -12.027 8.328 0.000) 14.629 6.195 ( -16.078 28.638 0.000) 32.842 7.173 ( 8.343 -5.357 0.000) 9.915 7.679 ( -12.225 -7.373 0.000) 14.276 8.035 ( 2.698 6.715 0.000) 7.237 8.112 ( -2.790 4.610 0.000) 5.388 9.652 ( 9.746 -1.118 -0.000) 9.810 9.660 ( 8.065 0.089 0.000) 8.065 10.929 ( 11.791 -2.436 0.000) 12.040 11.318 ( -7.502 -9.100 0.000) 11.794 13.155 ( 12.935 -10.631 0.000) 16.743 13.799 ( -16.677 -15.240 0.000) 22.592 14.488 ( 6.765 -0.637 0.000) 6.795 14.876 ( -13.422 -2.830 0.000) 13.717 16.413 ( 14.297 -9.046 0.000) 16.918 16.900 ( -10.165 -9.239 0.000) 13.736======================= Grid point 974 (165/180) =======================q-point: (-0.50 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.129 ( -19.885 9.345 0.000) 21.971 5.129 ( 19.885 9.345 0.000) 21.971 5.794 ( -22.437 34.401 0.000) 41.071 5.794 ( 22.437 34.401 0.000) 41.071 7.412 ( -13.813 -8.476 0.000) 16.206 7.412 ( 13.813 -8.476 0.000) 16.206 8.073 ( -1.528 5.094 0.000) 5.319 8.073 ( 1.528 5.094 0.000) 5.319 9.746 ( -0.144 0.059 0.000) 0.156 9.746 ( 0.144 0.059 0.000) 0.156 11.145 ( -9.792 -6.088 0.000) 11.530 11.145 ( 9.792 -6.088 0.000) 11.530 13.457 ( -16.839 -12.862 0.000) 21.189 13.457 ( 16.839 -12.862 0.000) 21.189 14.650 ( -9.568 -3.082 0.000) 10.052 14.650 ( 9.568 -3.082 0.000) 10.052 16.678 ( -12.204 -9.011 0.000) 15.170 16.678 ( 12.204 -9.011 0.000) 15.170======================= Grid point 996 (166/180) =======================q-point: ( 0.21 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.747 ( 9.678 9.678 0.000) 13.686 4.959 ( 22.895 22.895 0.000) 32.378 5.379 ( 24.732 24.732 0.000) 34.977 6.073 ( 7.858 7.858 0.000) 11.112 7.782 ( 15.066 15.066 0.000) 21.307 8.025 ( -3.133 -3.133 0.000) 4.430 8.104 ( -2.679 -2.679 0.000) 3.789 8.366 ( 0.071 0.071 0.000) 0.100 8.617 ( 14.059 14.059 -0.000) 19.883 8.769 ( 5.952 5.952 0.000) 8.418 10.395 ( 4.034 4.034 0.000) 5.706 11.487 ( -7.765 -7.765 0.000) 10.981 12.706 ( -1.311 -1.311 0.000) 1.854 14.221 ( -10.453 -10.453 0.000) 14.783 14.536 ( -3.159 -3.159 0.000) 4.468 15.428 ( 11.381 11.381 0.000) 16.096 15.644 ( -4.469 -4.469 0.000) 6.320 17.340 ( -16.550 -16.550 0.000) 23.406======================= Grid point 998 (167/180) =======================q-point: ( 0.29 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.035 ( 18.614 12.680 0.000) 22.523 5.314 ( 16.553 31.291 0.000) 35.400 5.824 ( 15.200 19.554 0.000) 24.767 6.247 ( 9.575 2.933 0.000) 10.014 7.836 ( -14.963 11.357 -0.000) 18.784 7.928 ( -6.753 -5.083 0.000) 8.452 8.036 ( 6.362 14.859 0.000) 16.164 8.338 ( -2.800 1.701 0.000) 3.276 8.987 ( 15.662 2.366 0.000) 15.840 9.038 ( 22.431 1.514 0.000) 22.482 10.518 ( 8.080 3.664 0.000) 8.872 11.334 ( -7.222 -11.412 0.000) 13.505 12.719 ( 2.261 -3.889 0.000) 4.499 14.013 ( -10.690 -13.482 0.000) 17.206 14.423 ( -5.967 -3.908 0.000) 7.133 15.413 ( -17.570 -11.482 0.000) 20.989 15.709 ( 15.283 3.212 0.000) 15.617 17.082 ( -9.521 -9.917 0.000) 13.748======================= Grid point 1000 (168/180) =======================q-point: ( 0.36 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.460 ( 23.240 14.329 0.000) 27.302 5.650 ( 15.748 27.146 0.000) 31.383 5.958 ( 0.529 25.676 0.000) 25.681 6.452 ( 10.809 -0.183 0.000) 10.811 7.494 ( -17.840 18.745 0.000) 25.878 7.752 ( -11.036 -8.390 0.000) 13.864 8.132 ( 2.869 8.555 0.000) 9.023 8.265 ( -4.001 3.174 0.000) 5.107 9.342 ( 18.115 0.343 0.000) 18.118 9.430 ( 16.364 1.718 0.000) 16.454 10.698 ( 9.399 0.878 0.000) 9.439 11.208 ( -5.496 -13.018 0.000) 14.131 12.796 ( 5.715 -6.336 0.000) 8.533 13.783 ( -12.701 -14.800 0.000) 19.502 14.341 ( -1.933 -8.475 0.000) 8.692 15.019 ( -20.011 -16.023 0.000) 25.635 16.011 ( 14.765 -0.408 0.000) 14.770 16.924 ( -7.357 -5.855 0.000) 9.403======================= Grid point 1002 (169/180) =======================q-point: ( 0.43 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.931 ( 23.365 14.894 0.000) 27.708 5.696 ( -11.606 12.914 0.000) 17.363 6.130 ( 17.970 39.418 0.000) 43.321 6.638 ( 4.819 8.771 0.000) 10.007 7.180 ( -10.664 11.430 0.000) 15.632 7.493 ( -14.445 -11.452 0.000) 18.433 8.162 ( 0.506 5.663 0.000) 5.686 8.198 ( -2.450 3.883 0.000) 4.592 9.644 ( 11.126 0.893 0.000) 11.162 9.681 ( 8.676 2.507 0.000) 9.031 10.871 ( 7.673 -3.355 0.000) 8.374 11.107 ( -4.901 -11.600 0.000) 12.593 12.957 ( 10.490 -9.132 0.000) 13.908 13.505 ( -14.925 -14.090 0.000) 20.525 14.349 ( 2.779 -13.181 0.000) 13.471 14.671 ( -14.278 -17.476 0.000) 22.567 16.294 ( 13.625 -2.303 0.000) 13.818 16.761 ( -9.319 -4.282 0.000) 10.256======================= Grid point 1004 (170/180) =======================q-point: (-0.50 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.368 ( -19.913 14.518 0.000) 24.643 5.368 ( 19.913 14.518 0.000) 24.643 6.497 ( -16.485 33.583 0.000) 37.411 6.497 ( 16.485 33.583 0.000) 37.411 7.215 ( -11.667 -10.594 0.000) 15.759 7.215 ( 11.667 -10.594 0.000) 15.759 8.169 ( -0.619 4.350 0.000) 4.394 8.169 ( 0.619 4.350 0.000) 4.394 9.764 ( -0.733 2.136 0.000) 2.259 9.764 ( 0.733 2.136 0.000) 2.259 11.003 ( -5.722 -7.931 0.000) 9.780 11.003 ( 5.722 -7.931 0.000) 9.780 13.208 ( -14.319 -11.947 0.000) 18.649 13.208 ( 14.319 -11.947 0.000) 18.649 14.453 ( -7.811 -16.425 0.000) 18.188 14.453 ( 7.811 -16.425 0.000) 18.188 16.549 ( -11.856 -3.417 0.000) 12.339 16.549 ( 11.856 -3.417 0.000) 12.339======================= Grid point 1028 (171/180) =======================q-point: ( 0.29 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.368 ( 20.165 20.165 0.000) 28.518 5.762 ( 16.740 16.740 0.000) 23.674 6.263 ( 19.669 19.669 0.000) 27.816 6.307 ( 3.533 3.533 -0.000) 4.996 7.780 ( -9.916 -9.916 -0.000) 14.023 7.923 ( -1.441 -1.441 0.000) 2.038 8.243 ( 4.372 4.372 0.000) 6.182 8.349 ( -0.764 -0.764 0.000) 1.080 9.118 ( 11.248 11.248 0.000) 15.907 9.210 ( 14.985 14.985 0.000) 21.192 10.609 ( 5.304 5.304 0.000) 7.501 11.114 ( -9.962 -9.962 0.000) 14.088 12.677 ( -0.558 -0.558 0.000) 0.790 13.755 ( -12.622 -12.622 0.000) 17.850 14.267 ( -9.727 -9.727 0.000) 13.757 15.055 ( -22.587 -22.587 0.000) 31.942 15.855 ( 10.161 10.161 0.000) 14.370 16.943 ( -4.919 -4.919 0.000) 6.957======================= Grid point 1030 (172/180) =======================q-point: ( 0.36 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.812 ( 23.688 20.533 0.000) 31.349 6.016 ( 7.142 14.813 0.000) 16.445 6.402 ( 6.415 -3.554 0.000) 7.333 6.551 ( 11.469 26.589 0.000) 28.957 7.534 ( -14.519 -13.452 0.000) 19.793 7.802 ( -10.057 10.690 0.000) 14.677 8.266 ( -0.578 4.099 0.000) 4.139 8.312 ( -2.548 1.467 0.000) 2.940 9.412 ( 16.642 7.320 0.000) 18.181 9.535 ( 15.492 9.192 0.000) 18.014 10.716 ( 5.034 0.813 0.000) 5.099 10.956 ( -5.750 -11.462 0.000) 12.823 12.696 ( 2.654 -3.806 0.000) 4.640 13.503 ( -12.843 -13.333 0.000) 18.513 14.093 ( -6.905 -14.586 0.000) 16.138 14.594 ( -21.888 -24.691 0.000) 32.995 16.078 ( 11.657 6.171 0.000) 13.189 16.847 ( -5.416 -2.749 0.000) 6.074======================= Grid point 1032 (173/180) =======================q-point: ( 0.43 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 492Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.283 ( 22.865 19.991 0.000) 30.372 5.988 ( -9.413 15.823 0.000) 18.412 6.574 ( 10.987 -9.260 0.000) 14.369 6.815 ( 14.582 27.342 0.000) 30.988 7.224 ( -15.184 -15.000 0.000) 21.344 7.546 ( -15.155 18.561 0.000) 23.962 8.248 ( -0.916 2.735 0.000) 2.884 8.263 ( -2.034 2.659 0.000) 3.348 9.711 ( 11.885 6.302 0.000) 13.453 9.779 ( 8.339 7.656 0.000) 11.320 10.797 ( 2.991 -4.002 0.000) 4.996 10.878 ( -2.516 -10.850 0.000) 11.138 12.793 ( 7.306 -7.219 0.000) 10.271 13.240 ( -13.374 -12.434 0.000) 18.261 14.008 ( -1.446 -19.369 0.000) 19.423 14.232 ( -13.895 -24.811 0.000) 28.437 16.309 ( 11.449 3.026 0.000) 11.842 16.713 ( -8.089 -1.296 0.000) 8.192======================= Grid point 1034 (174/180) =======================q-point: (-0.50 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.699 ( -18.402 18.368 0.000) 26.000 5.699 ( 18.402 18.368 0.000) 26.000 6.831 ( -13.558 -8.589 0.000) 16.050 6.831 ( 13.558 -8.589 0.000) 16.050 7.225 ( -15.654 18.860 0.000) 24.510 7.225 ( 15.654 18.860 0.000) 24.510 8.240 ( -0.302 2.698 0.000) 2.715 8.240 ( 0.302 2.698 0.000) 2.715 9.849 ( -1.649 6.845 0.000) 7.041 9.849 ( 1.649 6.845 0.000) 7.041 10.840 ( -1.625 -8.129 0.000) 8.290 10.840 ( 1.625 -8.129 0.000) 8.290 12.985 ( -11.686 -10.271 0.000) 15.558 12.985 ( 11.686 -10.271 0.000) 15.558 14.043 ( -5.274 -22.986 0.000) 23.584 14.043 ( 5.274 -22.986 0.000) 23.584 16.528 ( -10.323 0.526 0.000) 10.337 16.528 ( 10.323 0.526 0.000) 10.337======================= Grid point 1060 (175/180) =======================q-point: ( 0.36 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 266Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.255 ( 23.240 23.240 0.000) 32.866 6.262 ( 8.309 8.309 0.000) 11.751 6.346 ( -1.348 -1.348 0.000) 1.906 6.947 ( 14.535 14.535 0.000) 20.556 7.227 ( -16.859 -16.859 0.000) 23.842 7.906 ( -0.221 -0.221 0.000) 0.313 8.292 ( -0.686 -0.686 0.000) 0.970 8.324 ( -0.242 -0.242 0.000) 0.343 9.632 ( 13.771 13.771 0.000) 19.475 9.767 ( 12.512 12.512 0.000) 17.695 10.725 ( 0.004 0.004 0.000) 0.006 10.774 ( -6.566 -6.566 0.000) 9.286 12.647 ( -0.857 -0.857 0.000) 1.212 13.249 ( -12.235 -12.235 0.000) 17.303 13.818 ( -12.029 -12.029 0.000) 17.012 14.109 ( -22.402 -22.402 0.000) 31.681 16.224 ( 8.036 8.036 0.000) 11.364 16.785 ( -3.896 -3.896 0.000) 5.510======================= Grid point 1062 (176/180) =======================q-point: ( 0.43 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 490Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.708 ( 21.341 22.058 0.000) 30.692 6.289 ( -5.725 12.767 0.000) 13.992 6.377 ( 5.141 -9.266 0.000) 10.597 6.881 ( -17.074 -15.380 0.000) 22.980 7.228 ( 14.881 11.793 0.000) 18.988 7.798 ( -10.102 5.794 0.000) 11.646 8.278 ( -0.150 1.005 0.000) 1.016 8.308 ( -1.122 1.946 0.000) 2.246 9.897 ( 11.234 11.728 0.000) 16.240 9.976 ( 7.426 11.203 0.000) 13.441 10.693 ( -1.757 -7.307 0.000) 7.515 10.714 ( -1.112 -4.285 0.000) 4.427 12.675 ( 3.908 -4.405 0.000) 5.888 13.013 ( -11.445 -10.340 0.000) 15.424 13.637 ( -5.798 -16.751 0.000) 17.726 13.750 ( -12.940 -22.105 0.000) 25.614 16.387 ( 8.168 4.324 0.000) 9.242 16.685 ( -6.151 -1.914 0.000) 6.442======================= Grid point 1064 (177/180) =======================q-point: (-0.50 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.074 ( -14.956 18.156 0.000) 23.523 6.074 ( 14.956 18.156 0.000) 23.523 6.566 ( -13.555 -13.670 0.000) 19.251 6.566 ( 13.555 -13.670 0.000) 19.251 7.537 ( -15.208 8.996 0.000) 17.669 7.537 ( 15.208 8.996 0.000) 17.669 8.287 ( -0.884 2.423 0.000) 2.580 8.287 ( 0.884 2.423 0.000) 2.580 10.034 ( -1.983 11.060 0.000) 11.237 10.034 ( 1.983 11.060 0.000) 11.237 10.690 ( -0.955 -6.741 0.000) 6.809 10.690 ( 0.955 -6.741 0.000) 6.809 12.805 ( -8.924 -7.620 0.000) 11.735 12.805 ( 8.924 -7.620 0.000) 11.735 13.600 ( -2.413 -20.304 0.000) 20.446 13.600 ( 2.413 -20.304 0.000) 20.446 16.546 ( -7.635 0.869 0.000) 7.685 16.546 ( 7.635 0.869 0.000) 7.685======================= Grid point 1092 (178/180) =======================q-point: ( 0.43 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 267Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.133 ( 19.559 19.559 0.000) 27.660 6.244 ( -2.946 -2.946 0.000) 4.166 6.385 ( -4.883 -4.883 0.000) 6.906 6.654 ( -6.307 -6.307 0.000) 8.919 7.401 ( 7.887 7.887 0.000) 11.154 7.779 ( -6.597 -6.597 0.000) 9.330 8.308 ( 1.845 1.845 0.000) 2.609 8.338 ( 0.820 0.820 0.000) 1.160 10.127 ( 9.819 9.819 0.000) 13.886 10.176 ( 7.589 7.589 0.000) 10.732 10.593 ( -2.730 -2.730 0.000) 3.860 10.633 ( -3.621 -3.621 0.000) 5.121 12.631 ( 0.362 0.362 0.000) 0.511 12.829 ( -8.138 -8.138 0.000) 11.509 13.370 ( -9.631 -9.631 0.000) 13.621 13.397 ( -12.445 -12.445 0.000) 17.599 16.473 ( 4.277 4.277 0.000) 6.048 16.632 ( -3.339 -3.339 0.000) 4.722======================= Grid point 1094 (179/180) =======================q-point: (-0.50 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.252 ( -4.840 -5.218 0.000) 7.118 6.252 ( 4.840 -5.218 0.000) 7.118 6.480 ( -13.239 9.724 0.000) 16.426 6.480 ( 13.239 9.724 0.000) 16.426 7.592 ( -10.763 -1.645 0.000) 10.888 7.592 ( 10.763 -1.645 0.000) 10.888 8.337 ( -0.848 2.259 0.000) 2.413 8.337 ( 0.848 2.259 0.000) 2.413 10.243 ( -1.265 8.572 0.000) 8.665 10.243 ( 1.265 8.572 0.000) 8.665 10.581 ( -1.288 -3.937 0.000) 4.142 10.581 ( 1.288 -3.937 0.000) 4.142 12.691 ( -5.376 -3.650 0.000) 6.498 12.691 ( 5.376 -3.650 0.000) 6.498 13.271 ( -0.264 -11.957 0.000) 11.960 13.271 ( 0.264 -11.957 0.000) 11.960 16.557 ( -4.072 0.260 0.000) 4.080 16.557 ( 4.072 0.260 0.000) 4.080======================= Grid point 1138 (180/180) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.175 ( 0.000 0.000 0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 6.612 ( -0.000 -0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 10.334 ( 0.000 0.000 0.000) 0.000 10.334 ( 0.000 0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 12.657 ( 0.000 0.000 0.000) 0.000 12.657 ( 0.000 0.000 0.000) 0.000 13.148 ( -0.000 -0.000 0.000) 0.000 13.148 ( 0.000 0.000 0.000) 0.000 16.559 ( 0.000 0.000 0.000) 0.000 16.559 ( 0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28224 10.0 2205.148 2205.148 2857.732 0.000 0.000 0.000 3/28224 20.0 1455.218 1455.218 2076.727 0.000 0.000 0.000 3/28224 30.0 999.298 999.298 960.071 0.000 0.000 0.000 3/28224 40.0 522.651 522.651 416.609 0.000 0.000 0.000 3/28224 50.0 285.027 285.027 196.826 0.000 0.000 0.000 3/28224 60.0 176.680 176.680 107.310 0.000 0.000 0.000 3/28224 70.0 121.815 121.815 66.558 0.000 0.000 0.000 3/28224 80.0 90.577 90.577 45.605 0.000 0.000 0.000 3/28224 90.0 71.048 71.048 33.642 0.000 0.000 0.000 3/28224 100.0 57.954 57.954 26.212 0.000 0.000 0.000 3/28224 110.0 48.698 48.698 21.279 0.000 0.000 0.000 3/28224 120.0 41.882 41.882 17.825 0.000 0.000 0.000 3/28224 130.0 36.695 36.695 15.302 0.000 0.000 0.000 3/28224 140.0 32.640 32.640 13.394 0.000 0.000 0.000 3/28224 150.0 29.397 29.397 11.908 0.000 0.000 0.000 3/28224 160.0 26.752 26.752 10.723 0.000 0.000 0.000 3/28224 170.0 24.559 24.559 9.758 0.000 0.000 0.000 3/28224 180.0 22.712 22.712 8.959 0.000 0.000 0.000 3/28224 190.0 21.138 21.138 8.286 0.000 0.000 0.000 3/28224 200.0 19.780 19.780 7.712 0.000 0.000 0.000 3/28224 210.0 18.597 18.597 7.218 0.000 0.000 0.000 3/28224 220.0 17.556 17.556 6.786 0.000 0.000 0.000 3/28224 230.0 16.634 16.634 6.407 0.000 0.000 0.000 3/28224 240.0 15.810 15.810 6.071 0.000 0.000 0.000 3/28224 250.0 15.069 15.069 5.770 0.000 0.000 0.000 3/28224 260.0 14.399 14.399 5.501 0.000 0.000 0.000 3/28224 270.0 13.791 13.791 5.257 0.000 0.000 0.000 3/28224 280.0 13.234 13.234 5.035 0.000 0.000 0.000 3/28224 290.0 12.724 12.724 4.832 0.000 0.000 0.000 3/28224 300.0 12.254 12.254 4.646 0.000 0.000 0.000 3/28224 310.0 11.820 11.820 4.475 0.000 0.000 0.000 3/28224 320.0 11.417 11.417 4.317 0.000 0.000 0.000 3/28224 330.0 11.042 11.042 4.170 0.000 0.000 0.000 3/28224 340.0 10.692 10.692 4.034 0.000 0.000 0.000 3/28224 350.0 10.365 10.365 3.907 0.000 0.000 0.000 3/28224 360.0 10.058 10.058 3.788 0.000 0.000 0.000 3/28224 370.0 9.769 9.769 3.676 0.000 0.000 0.000 3/28224 380.0 9.497 9.497 3.571 0.000 0.000 0.000 3/28224 390.0 9.241 9.241 3.473 0.000 0.000 0.000 3/28224 400.0 8.999 8.999 3.379 0.000 0.000 0.000 3/28224 410.0 8.769 8.769 3.291 0.000 0.000 0.000 3/28224 420.0 8.551 8.551 3.208 0.000 0.000 0.000 3/28224 430.0 8.344 8.344 3.129 0.000 0.000 0.000 3/28224 440.0 8.148 8.148 3.054 0.000 0.000 0.000 3/28224 450.0 7.960 7.960 2.983 0.000 0.000 0.000 3/28224 460.0 7.781 7.781 2.915 0.000 0.000 0.000 3/28224 470.0 7.611 7.611 2.850 0.000 0.000 0.000 3/28224 480.0 7.448 7.448 2.788 0.000 0.000 0.000 3/28224 490.0 7.292 7.292 2.729 0.000 0.000 0.000 3/28224 500.0 7.142 7.142 2.672 0.000 0.000 0.000 3/28224 510.0 6.999 6.999 2.618 0.000 0.000 0.000 3/28224 520.0 6.861 6.861 2.566 0.000 0.000 0.000 3/28224 530.0 6.729 6.729 2.516 0.000 0.000 0.000 3/28224 540.0 6.602 6.602 2.468 0.000 0.000 0.000 3/28224 550.0 6.479 6.479 2.422 0.000 0.000 0.000 3/28224 560.0 6.361 6.361 2.377 0.000 0.000 0.000 3/28224 570.0 6.248 6.248 2.335 0.000 0.000 0.000 3/28224 580.0 6.139 6.139 2.293 0.000 0.000 0.000 3/28224 590.0 6.033 6.033 2.254 0.000 0.000 0.000 3/28224 600.0 5.931 5.931 2.215 0.000 0.000 0.000 3/28224 610.0 5.832 5.832 2.178 0.000 0.000 0.000 3/28224 620.0 5.737 5.737 2.143 0.000 0.000 0.000 3/28224 630.0 5.645 5.645 2.108 0.000 0.000 0.000 3/28224 640.0 5.556 5.556 2.075 0.000 0.000 0.000 3/28224 650.0 5.469 5.469 2.042 0.000 0.000 0.000 3/28224 660.0 5.386 5.386 2.011 0.000 0.000 0.000 3/28224 670.0 5.304 5.304 1.980 0.000 0.000 0.000 3/28224 680.0 5.226 5.226 1.951 0.000 0.000 0.000 3/28224 690.0 5.149 5.149 1.922 0.000 0.000 0.000 3/28224 700.0 5.075 5.075 1.895 0.000 0.000 0.000 3/28224 710.0 5.003 5.003 1.868 0.000 0.000 0.000 3/28224 720.0 4.933 4.933 1.841 0.000 0.000 0.000 3/28224 730.0 4.865 4.865 1.816 0.000 0.000 0.000 3/28224 740.0 4.799 4.799 1.791 0.000 0.000 0.000 3/28224 750.0 4.734 4.734 1.767 0.000 0.000 0.000 3/28224 760.0 4.672 4.672 1.744 0.000 0.000 0.000 3/28224 770.0 4.611 4.611 1.721 0.000 0.000 0.000 3/28224 780.0 4.551 4.551 1.699 0.000 0.000 0.000 3/28224 790.0 4.493 4.493 1.677 0.000 0.000 0.000 3/28224 800.0 4.437 4.437 1.656 0.000 0.000 0.000 3/28224 810.0 4.382 4.382 1.636 0.000 0.000 0.000 3/28224 820.0 4.328 4.328 1.616 0.000 0.000 0.000 3/28224 830.0 4.276 4.276 1.596 0.000 0.000 0.000 3/28224 840.0 4.225 4.225 1.577 0.000 0.000 0.000 3/28224 850.0 4.175 4.175 1.558 0.000 0.000 0.000 3/28224 860.0 4.126 4.126 1.540 0.000 0.000 0.000 3/28224 870.0 4.079 4.079 1.522 0.000 0.000 0.000 3/28224 880.0 4.032 4.032 1.505 0.000 0.000 0.000 3/28224 890.0 3.987 3.987 1.488 0.000 0.000 0.000 3/28224 900.0 3.942 3.942 1.472 0.000 0.000 0.000 3/28224 910.0 3.899 3.899 1.455 0.000 0.000 0.000 3/28224 920.0 3.856 3.856 1.440 0.000 0.000 0.000 3/28224 930.0 3.815 3.815 1.424 0.000 0.000 0.000 3/28224 940.0 3.774 3.774 1.409 0.000 0.000 0.000 3/28224 950.0 3.734 3.734 1.394 0.000 0.000 0.000 3/28224 960.0 3.695 3.695 1.380 0.000 0.000 0.000 3/28224 970.0 3.657 3.657 1.365 0.000 0.000 0.000 3/28224 980.0 3.620 3.620 1.351 0.000 0.000 0.000 3/28224 990.0 3.583 3.583 1.338 0.000 0.000 0.000 3/28224 1000.0 3.547 3.547 1.324 0.000 0.000 0.000 3/28224Thermal conductivity related properties were written into "kappa-m14148.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:38:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|