# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/69f29059-8f76-45be-9a3d-5398f58daf12/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 Na2H4Pt / I4/mmm (139) / materials id 697096](https://mdr.nims.go.jp/datasets/3158ec93-48ca-46e1-8987-e5335394f520) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:57:04]-------------------------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: [2 2 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4/mmm (139)Number of symmetry operations in supercell: 256------------------------------ primitive cell ------------------------------Lattice vectors: a -2.568657865000000 2.568657865000000 3.288954540000000 b 2.568657865000000 -2.568657865000000 3.288954540000000 c 2.568657865000000 2.568657865000000 -3.288954540000000Atomic positions (fractional): *1 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 2 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 *3 H 0.22714060419300 0.22714060419300 0.45428120838599 1.008 4 H 0.77285939580700 0.77285939580700 0.54571879161401 1.008 5 H 0.22714060419300 0.77285939580700 0.00000000000000 1.008 6 H 0.77285939580700 0.22714060419300 0.00000000000000 1.008 *7 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.137315729999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.137315729999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.577909080000000Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 1 2 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 2 3 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 1 4 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 2 *5 H 0.22714060419300 0.22714060419300 0.00000000000000 1.008 > 3 6 H 0.27285939580700 0.27285939580700 0.50000000000000 1.008 > 4 7 H 0.27285939580700 0.72714060419300 0.50000000000000 1.008 > 5 8 H 0.72714060419300 0.27285939580700 0.50000000000000 1.008 > 6 9 H 0.72714060419300 0.72714060419300 0.50000000000000 1.008 > 3 10 H 0.77285939580700 0.77285939580700 0.00000000000000 1.008 > 4 11 H 0.77285939580700 0.22714060419300 0.00000000000000 1.008 > 5 12 H 0.22714060419300 0.77285939580700 0.00000000000000 1.008 > 6 *13 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 7 14 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 7-------------------------------- super cell --------------------------------Lattice vectors: a 10.274631459999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.274631459999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.155818160000001Atomic positions (fractional): *1 Na 0.25000000000000 0.00000000000000 0.37500000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.37500000000000 22.990 > 1 3 Na 0.25000000000000 0.50000000000000 0.37500000000000 22.990 > 1 4 Na 0.75000000000000 0.50000000000000 0.37500000000000 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.87500000000000 22.990 > 1 6 Na 0.75000000000000 0.00000000000000 0.87500000000000 22.990 > 1 7 Na 0.25000000000000 0.50000000000000 0.87500000000000 22.990 > 1 8 Na 0.75000000000000 0.50000000000000 0.87500000000000 22.990 > 1 9 Na 0.00000000000000 0.25000000000000 0.37500000000000 22.990 > 2 10 Na 0.50000000000000 0.25000000000000 0.37500000000000 22.990 > 2 11 Na 0.00000000000000 0.75000000000000 0.37500000000000 22.990 > 2 12 Na 0.50000000000000 0.75000000000000 0.37500000000000 22.990 > 2 13 Na 0.00000000000000 0.25000000000000 0.87500000000000 22.990 > 2 14 Na 0.50000000000000 0.25000000000000 0.87500000000000 22.990 > 2 15 Na 0.00000000000000 0.75000000000000 0.87500000000000 22.990 > 2 16 Na 0.50000000000000 0.75000000000000 0.87500000000000 22.990 > 2 17 Na 0.00000000000000 0.25000000000000 0.12500000000000 22.990 > 1 18 Na 0.50000000000000 0.25000000000000 0.12500000000000 22.990 > 1 19 Na 0.00000000000000 0.75000000000000 0.12500000000000 22.990 > 1 20 Na 0.50000000000000 0.75000000000000 0.12500000000000 22.990 > 1 21 Na 0.00000000000000 0.25000000000000 0.62500000000000 22.990 > 1 22 Na 0.50000000000000 0.25000000000000 0.62500000000000 22.990 > 1 23 Na 0.00000000000000 0.75000000000000 0.62500000000000 22.990 > 1 24 Na 0.50000000000000 0.75000000000000 0.62500000000000 22.990 > 1 25 Na 0.25000000000000 0.00000000000000 0.12500000000000 22.990 > 2 26 Na 0.75000000000000 0.00000000000000 0.12500000000000 22.990 > 2 27 Na 0.25000000000000 0.50000000000000 0.12500000000000 22.990 > 2 28 Na 0.75000000000000 0.50000000000000 0.12500000000000 22.990 > 2 29 Na 0.25000000000000 0.00000000000000 0.62500000000000 22.990 > 2 30 Na 0.75000000000000 0.00000000000000 0.62500000000000 22.990 > 2 31 Na 0.25000000000000 0.50000000000000 0.62500000000000 22.990 > 2 32 Na 0.75000000000000 0.50000000000000 0.62500000000000 22.990 > 2 *33 H 0.11357030209650 0.11357030209650 0.00000000000000 1.008 > 3 34 H 0.61357030209650 0.11357030209650 0.00000000000000 1.008 > 3 35 H 0.11357030209650 0.61357030209650 0.00000000000000 1.008 > 3 36 H 0.61357030209650 0.61357030209650 0.00000000000000 1.008 > 3 37 H 0.11357030209650 0.11357030209650 0.50000000000000 1.008 > 3 38 H 0.61357030209650 0.11357030209650 0.50000000000000 1.008 > 3 39 H 0.11357030209650 0.61357030209650 0.50000000000000 1.008 > 3 40 H 0.61357030209650 0.61357030209650 0.50000000000000 1.008 > 3 41 H 0.13642969790350 0.13642969790350 0.25000000000000 1.008 > 4 42 H 0.63642969790350 0.13642969790350 0.25000000000000 1.008 > 4 43 H 0.13642969790350 0.63642969790350 0.25000000000000 1.008 > 4 44 H 0.63642969790350 0.63642969790350 0.25000000000000 1.008 > 4 45 H 0.13642969790350 0.13642969790350 0.75000000000000 1.008 > 4 46 H 0.63642969790350 0.13642969790350 0.75000000000000 1.008 > 4 47 H 0.13642969790350 0.63642969790350 0.75000000000000 1.008 > 4 48 H 0.63642969790350 0.63642969790350 0.75000000000000 1.008 > 4 49 H 0.13642969790350 0.36357030209650 0.25000000000000 1.008 > 5 50 H 0.63642969790350 0.36357030209650 0.25000000000000 1.008 > 5 51 H 0.13642969790350 0.86357030209650 0.25000000000000 1.008 > 5 52 H 0.63642969790350 0.86357030209650 0.25000000000000 1.008 > 5 53 H 0.13642969790350 0.36357030209650 0.75000000000000 1.008 > 5 54 H 0.63642969790350 0.36357030209650 0.75000000000000 1.008 > 5 55 H 0.13642969790350 0.86357030209650 0.75000000000000 1.008 > 5 56 H 0.63642969790350 0.86357030209650 0.75000000000000 1.008 > 5 57 H 0.36357030209650 0.13642969790350 0.25000000000000 1.008 > 6 58 H 0.86357030209650 0.13642969790350 0.25000000000000 1.008 > 6 59 H 0.36357030209650 0.63642969790350 0.25000000000000 1.008 > 6 60 H 0.86357030209650 0.63642969790350 0.25000000000000 1.008 > 6 61 H 0.36357030209650 0.13642969790350 0.75000000000000 1.008 > 6 62 H 0.86357030209650 0.13642969790350 0.75000000000000 1.008 > 6 63 H 0.36357030209650 0.63642969790350 0.75000000000000 1.008 > 6 64 H 0.86357030209650 0.63642969790350 0.75000000000000 1.008 > 6 65 H 0.36357030209650 0.36357030209650 0.25000000000000 1.008 > 3 66 H 0.86357030209650 0.36357030209650 0.25000000000000 1.008 > 3 67 H 0.36357030209650 0.86357030209650 0.25000000000000 1.008 > 3 68 H 0.86357030209650 0.86357030209650 0.25000000000000 1.008 > 3 69 H 0.36357030209650 0.36357030209650 0.75000000000000 1.008 > 3 70 H 0.86357030209650 0.36357030209650 0.75000000000000 1.008 > 3 71 H 0.36357030209650 0.86357030209650 0.75000000000000 1.008 > 3 72 H 0.86357030209650 0.86357030209650 0.75000000000000 1.008 > 3 73 H 0.38642969790350 0.38642969790350 0.00000000000000 1.008 > 4 74 H 0.88642969790350 0.38642969790350 0.00000000000000 1.008 > 4 75 H 0.38642969790350 0.88642969790350 0.00000000000000 1.008 > 4 76 H 0.88642969790350 0.88642969790350 0.00000000000000 1.008 > 4 77 H 0.38642969790350 0.38642969790350 0.50000000000000 1.008 > 4 78 H 0.88642969790350 0.38642969790350 0.50000000000000 1.008 > 4 79 H 0.38642969790350 0.88642969790350 0.50000000000000 1.008 > 4 80 H 0.88642969790350 0.88642969790350 0.50000000000000 1.008 > 4 81 H 0.38642969790350 0.11357030209650 0.00000000000000 1.008 > 5 82 H 0.88642969790350 0.11357030209650 0.00000000000000 1.008 > 5 83 H 0.38642969790350 0.61357030209650 0.00000000000000 1.008 > 5 84 H 0.88642969790350 0.61357030209650 0.00000000000000 1.008 > 5 85 H 0.38642969790350 0.11357030209650 0.50000000000000 1.008 > 5 86 H 0.88642969790350 0.11357030209650 0.50000000000000 1.008 > 5 87 H 0.38642969790350 0.61357030209650 0.50000000000000 1.008 > 5 88 H 0.88642969790350 0.61357030209650 0.50000000000000 1.008 > 5 89 H 0.11357030209650 0.38642969790350 0.00000000000000 1.008 > 6 90 H 0.61357030209650 0.38642969790350 0.00000000000000 1.008 > 6 91 H 0.11357030209650 0.88642969790350 0.00000000000000 1.008 > 6 92 H 0.61357030209650 0.88642969790350 0.00000000000000 1.008 > 6 93 H 0.11357030209650 0.38642969790350 0.50000000000000 1.008 > 6 94 H 0.61357030209650 0.38642969790350 0.50000000000000 1.008 > 6 95 H 0.11357030209650 0.88642969790350 0.50000000000000 1.008 > 6 96 H 0.61357030209650 0.88642969790350 0.50000000000000 1.008 > 6 *97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 7 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 7 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 7 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 7 101 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 7 102 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 7 103 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 7 104 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 7 105 Pt 0.25000000000000 0.25000000000000 0.25000000000000 195.084 > 7 106 Pt 0.75000000000000 0.25000000000000 0.25000000000000 195.084 > 7 107 Pt 0.25000000000000 0.75000000000000 0.25000000000000 195.084 > 7 108 Pt 0.75000000000000 0.75000000000000 0.25000000000000 195.084 > 7 109 Pt 0.25000000000000 0.25000000000000 0.75000000000000 195.084 > 7 110 Pt 0.75000000000000 0.25000000000000 0.75000000000000 195.084 > 7 111 Pt 0.25000000000000 0.75000000000000 0.75000000000000 195.084 > 7 112 Pt 0.75000000000000 0.75000000000000 0.75000000000000 195.084 > 7----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7703273 0.0000000 0.0000000 0.0000000 3.7703273 0.0000000 0.0000000 0.0000000 3.6329440-------------------------- Born effective charges -------------------------- 1 Na 1.0066543 0.0000000 0.0000000 0.0000000 1.0066543 0.0000000 0.0000000 0.0000000 1.0485092 2 Na 1.0066543 0.0000000 0.0000000 0.0000000 1.0066543 0.0000000 0.0000000 0.0000000 1.0485092 3 H -0.3785659 -0.4818301 0.0000000 -0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 4 H -0.3785659 -0.4818301 0.0000000 -0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 5 H -0.3785659 0.4818301 0.0000000 0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 6 H -0.3785659 0.4818301 0.0000000 0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 7 Pt -0.4990452 0.0000000 0.0000000 0.0000000 -0.4990452 0.0000000 0.0000000 0.0000000 -1.8285377----------------------------------------------------------------------------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: 336/336Permutation basis: 4494/4494Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 306Number of blocks in projector: 308Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 106Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 69Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 68Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 63Use standard eigh solver.Tree of FC basis block matrices:- (306, 299), data: False|-- (63, 62), data: True|-- (68, 65), data: True|-- (69, 69), data: True|-- (106, 103), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.004Solver_block: 80 / 80 - Time: 0.203Solver: 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 (xx) 0.00000000 (xx) Permutation basis: 336/336Permutation basis: 4494/4494Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 306Number of blocks in projector: 308Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 106Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 69Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 68Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 63Use standard eigh solver.Tree of FC basis block matrices:- (306, 299), data: False|-- (63, 62), data: True|-- (68, 65), data: True|-- (69, 69), data: True|-- (106, 103), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:57:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:57:08]-------------------------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): [2 2 2]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4/mmm (139)------------------------------ primitive cell ------------------------------Lattice vectors: a -2.568657865000000 2.568657865000000 3.288954540000000 b 2.568657865000000 -2.568657865000000 3.288954540000000 c 2.568657865000000 2.568657865000000 -3.288954540000000Atomic positions (fractional): 1 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 2 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 3 H 0.22714060419300 0.22714060419300 0.45428120838599 1.008 4 H 0.77285939580700 0.77285939580700 0.54571879161401 1.008 5 H 0.22714060419300 0.77285939580700 0.00000000000000 1.008 6 H 0.77285939580700 0.22714060419300 0.00000000000000 1.008 7 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084-------------------------------- supercell ---------------------------------Lattice vectors: a 10.274631459999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.274631459999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.155818160000001Atomic positions (fractional): 1 Na 0.25000000000000 0.00000000000000 0.37500000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.37500000000000 22.990 > 1 3 Na 0.25000000000000 0.50000000000000 0.37500000000000 22.990 > 1 4 Na 0.75000000000000 0.50000000000000 0.37500000000000 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.87500000000000 22.990 > 1 6 Na 0.75000000000000 0.00000000000000 0.87500000000000 22.990 > 1 7 Na 0.25000000000000 0.50000000000000 0.87500000000000 22.990 > 1 8 Na 0.75000000000000 0.50000000000000 0.87500000000000 22.990 > 1 9 Na 0.00000000000000 0.25000000000000 0.37500000000000 22.990 > 9 10 Na 0.50000000000000 0.25000000000000 0.37500000000000 22.990 > 9 11 Na 0.00000000000000 0.75000000000000 0.37500000000000 22.990 > 9 12 Na 0.50000000000000 0.75000000000000 0.37500000000000 22.990 > 9 13 Na 0.00000000000000 0.25000000000000 0.87500000000000 22.990 > 9 14 Na 0.50000000000000 0.25000000000000 0.87500000000000 22.990 > 9 15 Na 0.00000000000000 0.75000000000000 0.87500000000000 22.990 > 9 16 Na 0.50000000000000 0.75000000000000 0.87500000000000 22.990 > 9 17 Na 0.00000000000000 0.25000000000000 0.12500000000000 22.990 > 1 18 Na 0.50000000000000 0.25000000000000 0.12500000000000 22.990 > 1 19 Na 0.00000000000000 0.75000000000000 0.12500000000000 22.990 > 1 20 Na 0.50000000000000 0.75000000000000 0.12500000000000 22.990 > 1 21 Na 0.00000000000000 0.25000000000000 0.62500000000000 22.990 > 1 22 Na 0.50000000000000 0.25000000000000 0.62500000000000 22.990 > 1 23 Na 0.00000000000000 0.75000000000000 0.62500000000000 22.990 > 1 24 Na 0.50000000000000 0.75000000000000 0.62500000000000 22.990 > 1 25 Na 0.25000000000000 0.00000000000000 0.12500000000000 22.990 > 9 26 Na 0.75000000000000 0.00000000000000 0.12500000000000 22.990 > 9 27 Na 0.25000000000000 0.50000000000000 0.12500000000000 22.990 > 9 28 Na 0.75000000000000 0.50000000000000 0.12500000000000 22.990 > 9 29 Na 0.25000000000000 0.00000000000000 0.62500000000000 22.990 > 9 30 Na 0.75000000000000 0.00000000000000 0.62500000000000 22.990 > 9 31 Na 0.25000000000000 0.50000000000000 0.62500000000000 22.990 > 9 32 Na 0.75000000000000 0.50000000000000 0.62500000000000 22.990 > 9 33 H 0.11357030209650 0.11357030209650 0.00000000000000 1.008 > 33 34 H 0.61357030209650 0.11357030209650 0.00000000000000 1.008 > 33 35 H 0.11357030209650 0.61357030209650 0.00000000000000 1.008 > 33 36 H 0.61357030209650 0.61357030209650 0.00000000000000 1.008 > 33 37 H 0.11357030209650 0.11357030209650 0.50000000000000 1.008 > 33 38 H 0.61357030209650 0.11357030209650 0.50000000000000 1.008 > 33 39 H 0.11357030209650 0.61357030209650 0.50000000000000 1.008 > 33 40 H 0.61357030209650 0.61357030209650 0.50000000000000 1.008 > 33 41 H 0.13642969790350 0.13642969790350 0.25000000000000 1.008 > 41 42 H 0.63642969790350 0.13642969790350 0.25000000000000 1.008 > 41 43 H 0.13642969790350 0.63642969790350 0.25000000000000 1.008 > 41 44 H 0.63642969790350 0.63642969790350 0.25000000000000 1.008 > 41 45 H 0.13642969790350 0.13642969790350 0.75000000000000 1.008 > 41 46 H 0.63642969790350 0.13642969790350 0.75000000000000 1.008 > 41 47 H 0.13642969790350 0.63642969790350 0.75000000000000 1.008 > 41 48 H 0.63642969790350 0.63642969790350 0.75000000000000 1.008 > 41 49 H 0.13642969790350 0.36357030209650 0.25000000000000 1.008 > 49 50 H 0.63642969790350 0.36357030209650 0.25000000000000 1.008 > 49 51 H 0.13642969790350 0.86357030209650 0.25000000000000 1.008 > 49 52 H 0.63642969790350 0.86357030209650 0.25000000000000 1.008 > 49 53 H 0.13642969790350 0.36357030209650 0.75000000000000 1.008 > 49 54 H 0.63642969790350 0.36357030209650 0.75000000000000 1.008 > 49 55 H 0.13642969790350 0.86357030209650 0.75000000000000 1.008 > 49 56 H 0.63642969790350 0.86357030209650 0.75000000000000 1.008 > 49 57 H 0.36357030209650 0.13642969790350 0.25000000000000 1.008 > 57 58 H 0.86357030209650 0.13642969790350 0.25000000000000 1.008 > 57 59 H 0.36357030209650 0.63642969790350 0.25000000000000 1.008 > 57 60 H 0.86357030209650 0.63642969790350 0.25000000000000 1.008 > 57 61 H 0.36357030209650 0.13642969790350 0.75000000000000 1.008 > 57 62 H 0.86357030209650 0.13642969790350 0.75000000000000 1.008 > 57 63 H 0.36357030209650 0.63642969790350 0.75000000000000 1.008 > 57 64 H 0.86357030209650 0.63642969790350 0.75000000000000 1.008 > 57 65 H 0.36357030209650 0.36357030209650 0.25000000000000 1.008 > 33 66 H 0.86357030209650 0.36357030209650 0.25000000000000 1.008 > 33 67 H 0.36357030209650 0.86357030209650 0.25000000000000 1.008 > 33 68 H 0.86357030209650 0.86357030209650 0.25000000000000 1.008 > 33 69 H 0.36357030209650 0.36357030209650 0.75000000000000 1.008 > 33 70 H 0.86357030209650 0.36357030209650 0.75000000000000 1.008 > 33 71 H 0.36357030209650 0.86357030209650 0.75000000000000 1.008 > 33 72 H 0.86357030209650 0.86357030209650 0.75000000000000 1.008 > 33 73 H 0.38642969790350 0.38642969790350 0.00000000000000 1.008 > 41 74 H 0.88642969790350 0.38642969790350 0.00000000000000 1.008 > 41 75 H 0.38642969790350 0.88642969790350 0.00000000000000 1.008 > 41 76 H 0.88642969790350 0.88642969790350 0.00000000000000 1.008 > 41 77 H 0.38642969790350 0.38642969790350 0.50000000000000 1.008 > 41 78 H 0.88642969790350 0.38642969790350 0.50000000000000 1.008 > 41 79 H 0.38642969790350 0.88642969790350 0.50000000000000 1.008 > 41 80 H 0.88642969790350 0.88642969790350 0.50000000000000 1.008 > 41 81 H 0.38642969790350 0.11357030209650 0.00000000000000 1.008 > 49 82 H 0.88642969790350 0.11357030209650 0.00000000000000 1.008 > 49 83 H 0.38642969790350 0.61357030209650 0.00000000000000 1.008 > 49 84 H 0.88642969790350 0.61357030209650 0.00000000000000 1.008 > 49 85 H 0.38642969790350 0.11357030209650 0.50000000000000 1.008 > 49 86 H 0.88642969790350 0.11357030209650 0.50000000000000 1.008 > 49 87 H 0.38642969790350 0.61357030209650 0.50000000000000 1.008 > 49 88 H 0.88642969790350 0.61357030209650 0.50000000000000 1.008 > 49 89 H 0.11357030209650 0.38642969790350 0.00000000000000 1.008 > 57 90 H 0.61357030209650 0.38642969790350 0.00000000000000 1.008 > 57 91 H 0.11357030209650 0.88642969790350 0.00000000000000 1.008 > 57 92 H 0.61357030209650 0.88642969790350 0.00000000000000 1.008 > 57 93 H 0.11357030209650 0.38642969790350 0.50000000000000 1.008 > 57 94 H 0.61357030209650 0.38642969790350 0.50000000000000 1.008 > 57 95 H 0.11357030209650 0.88642969790350 0.50000000000000 1.008 > 57 96 H 0.61357030209650 0.88642969790350 0.50000000000000 1.008 > 57 97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 97 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 97 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 97 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 97 102 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 97 103 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 97 104 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 97 105 Pt 0.25000000000000 0.25000000000000 0.25000000000000 195.084 > 97 106 Pt 0.75000000000000 0.25000000000000 0.25000000000000 195.084 > 97 107 Pt 0.25000000000000 0.75000000000000 0.25000000000000 195.084 > 97 108 Pt 0.75000000000000 0.75000000000000 0.25000000000000 195.084 > 97 109 Pt 0.25000000000000 0.25000000000000 0.75000000000000 195.084 > 97 110 Pt 0.75000000000000 0.25000000000000 0.75000000000000 195.084 > 97 111 Pt 0.25000000000000 0.75000000000000 0.75000000000000 195.084 > 97 112 Pt 0.75000000000000 0.75000000000000 0.75000000000000 195.084 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7703273 0.0000000 0.0000000 0.0000000 3.7703273 0.0000000 0.0000000 0.0000000 3.6329440-------------------------- Born effective charges -------------------------- 1 Na 1.0066543 0.0000000 0.0000000 0.0000000 1.0066543 0.0000000 0.0000000 0.0000000 1.0485092 2 Na 1.0066543 0.0000000 0.0000000 0.0000000 1.0066543 0.0000000 0.0000000 0.0000000 1.0485092 3 H -0.3785659 -0.4818301 0.0000000 -0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 4 H -0.3785659 -0.4818301 0.0000000 -0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 5 H -0.3785659 0.4818301 0.0000000 0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 6 H -0.3785659 0.4818301 0.0000000 0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 7 Pt -0.4990452 0.0000000 0.0000000 0.0000000 -0.4990452 0.0000000 0.0000000 0.0000000 -1.8285377----------------------------------------------------------------------------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[ 33, 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[ 97, 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: 0.00000004 (yyx) 0.00000004 (yyx) 0.00000004 (yxy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:57:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:57:13]-------------------------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): [2 2 2]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4/mmm (139)------------------------------ primitive cell ------------------------------Lattice vectors: a -2.568657865000000 2.568657865000000 3.288954540000000 b 2.568657865000000 -2.568657865000000 3.288954540000000 c 2.568657865000000 2.568657865000000 -3.288954540000000Atomic positions (fractional): 1 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 2 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 3 H 0.22714060419300 0.22714060419300 0.45428120838599 1.008 4 H 0.77285939580700 0.77285939580700 0.54571879161401 1.008 5 H 0.22714060419300 0.77285939580700 0.00000000000000 1.008 6 H 0.77285939580700 0.22714060419300 0.00000000000000 1.008 7 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084-------------------------------- supercell ---------------------------------Lattice vectors: a 10.274631459999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.274631459999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.155818160000001Atomic positions (fractional): 1 Na 0.25000000000000 0.00000000000000 0.37500000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.37500000000000 22.990 > 1 3 Na 0.25000000000000 0.50000000000000 0.37500000000000 22.990 > 1 4 Na 0.75000000000000 0.50000000000000 0.37500000000000 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.87500000000000 22.990 > 1 6 Na 0.75000000000000 0.00000000000000 0.87500000000000 22.990 > 1 7 Na 0.25000000000000 0.50000000000000 0.87500000000000 22.990 > 1 8 Na 0.75000000000000 0.50000000000000 0.87500000000000 22.990 > 1 9 Na 0.00000000000000 0.25000000000000 0.37500000000000 22.990 > 9 10 Na 0.50000000000000 0.25000000000000 0.37500000000000 22.990 > 9 11 Na 0.00000000000000 0.75000000000000 0.37500000000000 22.990 > 9 12 Na 0.50000000000000 0.75000000000000 0.37500000000000 22.990 > 9 13 Na 0.00000000000000 0.25000000000000 0.87500000000000 22.990 > 9 14 Na 0.50000000000000 0.25000000000000 0.87500000000000 22.990 > 9 15 Na 0.00000000000000 0.75000000000000 0.87500000000000 22.990 > 9 16 Na 0.50000000000000 0.75000000000000 0.87500000000000 22.990 > 9 17 Na 0.00000000000000 0.25000000000000 0.12500000000000 22.990 > 1 18 Na 0.50000000000000 0.25000000000000 0.12500000000000 22.990 > 1 19 Na 0.00000000000000 0.75000000000000 0.12500000000000 22.990 > 1 20 Na 0.50000000000000 0.75000000000000 0.12500000000000 22.990 > 1 21 Na 0.00000000000000 0.25000000000000 0.62500000000000 22.990 > 1 22 Na 0.50000000000000 0.25000000000000 0.62500000000000 22.990 > 1 23 Na 0.00000000000000 0.75000000000000 0.62500000000000 22.990 > 1 24 Na 0.50000000000000 0.75000000000000 0.62500000000000 22.990 > 1 25 Na 0.25000000000000 0.00000000000000 0.12500000000000 22.990 > 9 26 Na 0.75000000000000 0.00000000000000 0.12500000000000 22.990 > 9 27 Na 0.25000000000000 0.50000000000000 0.12500000000000 22.990 > 9 28 Na 0.75000000000000 0.50000000000000 0.12500000000000 22.990 > 9 29 Na 0.25000000000000 0.00000000000000 0.62500000000000 22.990 > 9 30 Na 0.75000000000000 0.00000000000000 0.62500000000000 22.990 > 9 31 Na 0.25000000000000 0.50000000000000 0.62500000000000 22.990 > 9 32 Na 0.75000000000000 0.50000000000000 0.62500000000000 22.990 > 9 33 H 0.11357030209650 0.11357030209650 0.00000000000000 1.008 > 33 34 H 0.61357030209650 0.11357030209650 0.00000000000000 1.008 > 33 35 H 0.11357030209650 0.61357030209650 0.00000000000000 1.008 > 33 36 H 0.61357030209650 0.61357030209650 0.00000000000000 1.008 > 33 37 H 0.11357030209650 0.11357030209650 0.50000000000000 1.008 > 33 38 H 0.61357030209650 0.11357030209650 0.50000000000000 1.008 > 33 39 H 0.11357030209650 0.61357030209650 0.50000000000000 1.008 > 33 40 H 0.61357030209650 0.61357030209650 0.50000000000000 1.008 > 33 41 H 0.13642969790350 0.13642969790350 0.25000000000000 1.008 > 41 42 H 0.63642969790350 0.13642969790350 0.25000000000000 1.008 > 41 43 H 0.13642969790350 0.63642969790350 0.25000000000000 1.008 > 41 44 H 0.63642969790350 0.63642969790350 0.25000000000000 1.008 > 41 45 H 0.13642969790350 0.13642969790350 0.75000000000000 1.008 > 41 46 H 0.63642969790350 0.13642969790350 0.75000000000000 1.008 > 41 47 H 0.13642969790350 0.63642969790350 0.75000000000000 1.008 > 41 48 H 0.63642969790350 0.63642969790350 0.75000000000000 1.008 > 41 49 H 0.13642969790350 0.36357030209650 0.25000000000000 1.008 > 49 50 H 0.63642969790350 0.36357030209650 0.25000000000000 1.008 > 49 51 H 0.13642969790350 0.86357030209650 0.25000000000000 1.008 > 49 52 H 0.63642969790350 0.86357030209650 0.25000000000000 1.008 > 49 53 H 0.13642969790350 0.36357030209650 0.75000000000000 1.008 > 49 54 H 0.63642969790350 0.36357030209650 0.75000000000000 1.008 > 49 55 H 0.13642969790350 0.86357030209650 0.75000000000000 1.008 > 49 56 H 0.63642969790350 0.86357030209650 0.75000000000000 1.008 > 49 57 H 0.36357030209650 0.13642969790350 0.25000000000000 1.008 > 57 58 H 0.86357030209650 0.13642969790350 0.25000000000000 1.008 > 57 59 H 0.36357030209650 0.63642969790350 0.25000000000000 1.008 > 57 60 H 0.86357030209650 0.63642969790350 0.25000000000000 1.008 > 57 61 H 0.36357030209650 0.13642969790350 0.75000000000000 1.008 > 57 62 H 0.86357030209650 0.13642969790350 0.75000000000000 1.008 > 57 63 H 0.36357030209650 0.63642969790350 0.75000000000000 1.008 > 57 64 H 0.86357030209650 0.63642969790350 0.75000000000000 1.008 > 57 65 H 0.36357030209650 0.36357030209650 0.25000000000000 1.008 > 33 66 H 0.86357030209650 0.36357030209650 0.25000000000000 1.008 > 33 67 H 0.36357030209650 0.86357030209650 0.25000000000000 1.008 > 33 68 H 0.86357030209650 0.86357030209650 0.25000000000000 1.008 > 33 69 H 0.36357030209650 0.36357030209650 0.75000000000000 1.008 > 33 70 H 0.86357030209650 0.36357030209650 0.75000000000000 1.008 > 33 71 H 0.36357030209650 0.86357030209650 0.75000000000000 1.008 > 33 72 H 0.86357030209650 0.86357030209650 0.75000000000000 1.008 > 33 73 H 0.38642969790350 0.38642969790350 0.00000000000000 1.008 > 41 74 H 0.88642969790350 0.38642969790350 0.00000000000000 1.008 > 41 75 H 0.38642969790350 0.88642969790350 0.00000000000000 1.008 > 41 76 H 0.88642969790350 0.88642969790350 0.00000000000000 1.008 > 41 77 H 0.38642969790350 0.38642969790350 0.50000000000000 1.008 > 41 78 H 0.88642969790350 0.38642969790350 0.50000000000000 1.008 > 41 79 H 0.38642969790350 0.88642969790350 0.50000000000000 1.008 > 41 80 H 0.88642969790350 0.88642969790350 0.50000000000000 1.008 > 41 81 H 0.38642969790350 0.11357030209650 0.00000000000000 1.008 > 49 82 H 0.88642969790350 0.11357030209650 0.00000000000000 1.008 > 49 83 H 0.38642969790350 0.61357030209650 0.00000000000000 1.008 > 49 84 H 0.88642969790350 0.61357030209650 0.00000000000000 1.008 > 49 85 H 0.38642969790350 0.11357030209650 0.50000000000000 1.008 > 49 86 H 0.88642969790350 0.11357030209650 0.50000000000000 1.008 > 49 87 H 0.38642969790350 0.61357030209650 0.50000000000000 1.008 > 49 88 H 0.88642969790350 0.61357030209650 0.50000000000000 1.008 > 49 89 H 0.11357030209650 0.38642969790350 0.00000000000000 1.008 > 57 90 H 0.61357030209650 0.38642969790350 0.00000000000000 1.008 > 57 91 H 0.11357030209650 0.88642969790350 0.00000000000000 1.008 > 57 92 H 0.61357030209650 0.88642969790350 0.00000000000000 1.008 > 57 93 H 0.11357030209650 0.38642969790350 0.50000000000000 1.008 > 57 94 H 0.61357030209650 0.38642969790350 0.50000000000000 1.008 > 57 95 H 0.11357030209650 0.88642969790350 0.50000000000000 1.008 > 57 96 H 0.61357030209650 0.88642969790350 0.50000000000000 1.008 > 57 97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 97 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 97 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 97 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 97 102 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 97 103 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 97 104 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 97 105 Pt 0.25000000000000 0.25000000000000 0.25000000000000 195.084 > 97 106 Pt 0.75000000000000 0.25000000000000 0.25000000000000 195.084 > 97 107 Pt 0.25000000000000 0.75000000000000 0.25000000000000 195.084 > 97 108 Pt 0.75000000000000 0.75000000000000 0.25000000000000 195.084 > 97 109 Pt 0.25000000000000 0.25000000000000 0.75000000000000 195.084 > 97 110 Pt 0.75000000000000 0.25000000000000 0.75000000000000 195.084 > 97 111 Pt 0.25000000000000 0.75000000000000 0.75000000000000 195.084 > 97 112 Pt 0.75000000000000 0.75000000000000 0.75000000000000 195.084 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.7703273 0.0000000 0.0000000 0.0000000 3.7703273 0.0000000 0.0000000 0.0000000 3.6329440-------------------------- Born effective charges -------------------------- 1 Na 1.0066543 0.0000000 0.0000000 0.0000000 1.0066543 0.0000000 0.0000000 0.0000000 1.0485092 2 Na 1.0066543 0.0000000 0.0000000 0.0000000 1.0066543 0.0000000 0.0000000 0.0000000 1.0485092 3 H -0.3785659 -0.4818301 0.0000000 -0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 4 H -0.3785659 -0.4818301 0.0000000 -0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 5 H -0.3785659 0.4818301 0.0000000 0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 6 H -0.3785659 0.4818301 0.0000000 0.4818301 -0.3785659 0.0000000 0.0000000 0.0000000 -0.0671202 7 Pt -0.4990452 0.0000000 0.0000000 0.0000000 -0.4990452 0.0000000 0.0000000 0.0000000 -1.8285377----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000004 (yyx) 0.00000004 (yyx) 0.00000004 (yxy)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... Generalized regular grid: [ 2 10 80 ]Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 8 8 0 ]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: 0.94, Number of G-points: 307, Lambda: 0.19Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/165) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 165Calculating 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 4.399 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 13.697 ( 0.000 0.000 0.000) 0.000 14.263 ( 0.000 0.000 0.000) 0.000 14.263 ( 0.000 0.000 0.000) 0.000 25.143 ( 0.000 0.000 0.000) 0.000 25.723 ( 0.000 0.000 0.000) 0.000 26.054 ( 0.000 0.000 0.000) 0.000 26.700 ( 0.000 0.000 0.000) 0.000 26.700 ( 0.000 0.000 0.000) 0.000 52.675 ( 0.000 0.000 0.000) 0.000 52.675 ( 0.000 0.000 0.000) 0.000 62.131 ( 0.000 0.000 0.000) 0.000 62.300 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/165) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 226Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 -0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 12.498 ( 0.000 0.000 0.000) 0.000 13.857 ( 0.000 0.000 0.000) 0.000 14.202 ( 0.000 0.000 0.000) 0.000 25.323 ( 0.000 -0.000 0.000) 0.000 25.610 ( 0.000 0.000 0.000) 0.000 26.156 ( 0.000 0.000 0.000) 0.000 26.560 ( 0.000 0.000 0.000) 0.000 26.735 ( 0.000 0.000 0.000) 0.000 51.409 ( 0.000 0.000 0.000) 0.000 53.964 ( 0.000 0.000 0.000) 0.000 62.222 ( 0.000 0.000 0.000) 0.000 62.283 ( 0.000 0.000 0.000) 0.000======================= Grid point 3 (3/165) =======================q-point: (-0.50 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( 12.683 -1.390 -3.076) 13.124 1.633 ( 4.201 0.941 -5.553) 7.027 2.545 ( -2.275 -6.710 -2.495) 7.512 4.230 ( -12.014 -2.438 1.349) 12.333 4.393 ( -11.287 2.399 -0.888) 11.573 4.778 ( 11.522 -3.016 6.921) 13.775 4.859 ( 10.276 1.698 -5.526) 11.791 5.357 ( -3.067 -1.636 6.850) 7.682 5.802 ( -1.953 9.204 -10.551) 14.137 12.596 ( 6.964 3.140 10.483) 12.971 13.698 ( -6.096 -9.387 8.974) 14.347 14.203 ( 4.410 -4.323 -0.260) 6.181 25.324 ( 0.428 -0.334 -0.858) 1.016 25.605 ( -0.999 0.571 0.165) 1.162 26.160 ( -0.042 0.432 -0.837) 0.943 26.578 ( 0.330 1.425 0.011) 1.463 26.720 ( -1.370 -0.136 0.172) 1.387 51.647 ( 11.988 11.761 0.290) 16.796 53.728 ( -13.726 -10.095 3.743) 17.445 62.236 ( 1.692 -0.723 0.015) 1.840 62.284 ( 0.116 0.269 -0.045) 0.296======================= Grid point 4 (4/165) =======================q-point: ( 0.00 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( 10.287 10.287 0.000) 14.548 0.632 ( 15.994 15.994 0.000) 22.618 0.874 ( 21.398 21.398 0.000) 30.261 4.279 ( -5.610 -5.610 0.000) 7.934 4.411 ( -3.895 -3.895 0.000) 5.509 4.445 ( -2.497 -2.497 0.000) 3.531 4.804 ( 1.318 1.318 0.000) 1.864 5.807 ( 2.768 2.768 0.000) 3.915 5.810 ( 1.819 1.819 0.000) 2.573 13.789 ( 4.575 4.575 0.000) 6.471 14.017 ( -12.234 -12.234 0.000) 17.301 14.277 ( 0.724 0.724 0.000) 1.024 25.166 ( 1.094 1.094 0.000) 1.548 25.703 ( -0.962 -0.962 0.000) 1.361 26.063 ( 0.492 0.492 0.000) 0.695 26.693 ( -0.349 -0.349 0.000) 0.493 26.757 ( -0.882 -0.882 0.000) 1.248 52.667 ( -0.395 -0.395 0.000) 0.558 54.209 ( -13.557 -13.557 0.000) 19.172 62.226 ( 2.889 2.889 0.000) 4.086 62.316 ( 1.853 1.853 0.000) 2.620======================= Grid point 5 (5/165) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.803 ( 10.575 10.575 0.000) 14.955 1.232 ( 14.618 14.618 0.000) 20.673 1.629 ( 17.034 17.034 0.000) 24.090 4.021 ( -6.893 -6.893 0.000) 9.748 4.214 ( -6.109 -6.109 0.000) 8.639 4.311 ( -4.208 -4.208 0.000) 5.951 4.850 ( 0.912 0.912 0.000) 1.290 5.925 ( 2.878 2.878 0.000) 4.070 5.930 ( 4.440 4.440 0.000) 6.279 13.369 ( -20.051 -20.051 0.000) 28.356 14.030 ( 7.415 7.415 0.000) 10.487 14.318 ( 1.292 1.292 0.000) 1.827 25.220 ( 1.545 1.545 0.000) 2.185 25.652 ( -1.603 -1.603 0.000) 2.267 26.091 ( 0.918 0.918 0.000) 1.298 26.672 ( -0.726 -0.726 0.000) 1.026 26.710 ( -1.501 -1.501 0.000) 2.122 52.649 ( -0.478 -0.478 0.000) 0.676 53.594 ( -16.092 -16.092 0.000) 22.758 62.250 ( -0.356 -0.356 0.000) 0.503 62.457 ( 3.114 3.114 0.000) 4.404======================= Grid point 6 (6/165) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 9.330 -3.993 -5.500) 11.543 1.787 ( 11.684 -2.171 -7.467) 14.035 2.329 ( -2.431 -8.184 -4.546) 9.672 4.008 ( -7.542 0.866 -0.712) 7.625 4.266 ( -8.654 5.014 0.839) 10.037 4.907 ( 9.523 -5.633 7.886) 13.587 5.067 ( 7.250 2.150 -5.182) 9.167 5.241 ( -4.358 -2.809 7.182) 8.858 5.924 ( -6.581 10.464 -12.943) 17.898 12.881 ( 12.109 6.157 19.518) 23.780 13.316 ( -8.033 -13.586 12.003) 19.829 14.204 ( 7.090 -7.037 -0.412) 9.998 25.326 ( 0.626 -0.589 -1.317) 1.572 25.597 ( -1.389 1.121 0.233) 1.800 26.168 ( -0.256 0.509 -1.378) 1.492 26.623 ( 0.438 2.259 0.107) 2.304 26.680 ( -2.241 -0.297 0.219) 2.271 52.280 ( 19.382 19.849 1.282) 27.772 53.088 ( -21.432 -18.189 4.003) 28.394 62.246 ( 0.604 -0.461 0.079) 0.764 62.302 ( 1.263 -0.321 0.757) 1.507======================= Grid point 8 (7/165) =======================q-point: ( 0.00 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( 10.656 10.656 0.000) 15.070 1.748 ( 11.520 11.520 0.000) 16.291 2.182 ( 11.269 11.269 0.000) 15.936 3.785 ( -4.876 -4.876 0.000) 6.896 3.940 ( -7.889 -7.889 0.000) 11.157 4.137 ( -4.449 -4.449 0.000) 6.292 4.874 ( 0.386 0.386 0.000) 0.546 6.015 ( 1.700 1.700 0.000) 2.404 6.144 ( 6.160 6.160 0.000) 8.711 12.554 ( -20.404 -20.404 0.000) 28.856 14.329 ( 7.441 7.441 0.000) 10.524 14.373 ( 1.442 1.442 0.000) 2.039 25.277 ( 1.318 1.318 0.000) 1.864 25.586 ( -1.653 -1.653 0.000) 2.337 26.131 ( 1.050 1.050 0.000) 1.485 26.639 ( -0.937 -0.937 0.000) 1.325 26.647 ( -1.588 -1.588 0.000) 2.246 52.634 ( -0.278 -0.278 0.000) 0.393 53.063 ( -10.489 -10.489 0.000) 14.834 62.234 ( -0.373 -0.373 0.000) 0.527 62.490 ( -1.349 -1.349 0.000) 1.908======================= Grid point 9 (8/165) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( 8.534 8.534 0.000) 12.069 2.102 ( 6.378 6.378 0.000) 9.020 2.508 ( 5.540 5.540 0.000) 7.835 3.628 ( -7.386 -7.386 0.000) 10.445 3.652 ( -2.044 -2.044 0.000) 2.891 3.988 ( -2.890 -2.890 0.000) 4.088 4.883 ( 0.121 0.121 0.000) 0.171 6.058 ( 0.597 0.597 0.000) 0.845 6.365 ( 4.534 4.534 0.000) 6.412 11.885 ( -12.781 -12.781 0.000) 18.075 14.421 ( 0.966 0.966 0.000) 1.366 14.572 ( 4.617 4.617 0.000) 6.529 25.318 ( 0.726 0.726 0.000) 1.026 25.532 ( -1.042 -1.042 0.000) 1.473 26.167 ( 0.704 0.704 0.000) 0.996 26.595 ( -1.025 -1.025 0.000) 1.449 26.605 ( -0.691 -0.691 0.000) 0.977 52.627 ( -0.071 -0.071 0.000) 0.100 52.786 ( -4.076 -4.076 0.000) 5.764 62.223 ( -0.205 -0.205 0.000) 0.290 62.395 ( -2.718 -2.718 0.000) 3.844======================= Grid point 13 (9/165) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 11.627 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 14.665 ( 0.000 0.000 0.000) 0.000 25.332 ( 0.000 0.000 0.000) 0.000 25.511 ( 0.000 0.000 0.000) 0.000 26.181 ( 0.000 0.000 0.000) 0.000 26.574 ( 0.000 0.000 0.000) 0.000 26.591 ( 0.000 0.000 0.000) 0.000 52.626 ( 0.000 0.000 0.000) 0.000 52.712 ( 0.000 0.000 0.000) 0.000 62.218 ( 0.000 0.000 0.000) 0.000 62.334 ( 0.000 0.000 0.000) 0.000======================= Grid point 23 (10/165) =======================q-point: (-0.11 -0.01 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( -0.000 -11.596 -9.943) 15.275 0.552 ( -0.000 -11.702 -16.050) 19.863 0.859 ( -0.000 -24.647 -18.453) 30.790 4.400 ( 0.000 -1.213 1.082) 1.625 4.471 ( -0.000 3.652 -2.703) 4.543 4.509 ( -0.000 1.062 -2.541) 2.754 4.617 ( 0.000 -11.538 8.746) 14.479 5.699 ( 0.000 4.215 0.070) 4.216 5.998 ( -0.000 9.415 -9.267) 13.211 13.746 ( -0.000 -4.538 -0.350) 4.551 14.071 ( 0.000 9.208 10.067) 13.643 14.153 ( 0.000 1.246 9.218) 9.302 25.165 ( -0.000 -1.113 -1.055) 1.534 25.709 ( 0.000 0.808 0.575) 0.992 26.088 ( -0.000 0.903 -2.099) 2.285 26.687 ( 0.000 1.288 -0.035) 1.288 26.743 ( 0.000 -1.841 1.843) 2.605 52.553 ( 0.000 12.029 0.137) 12.029 53.662 ( 0.000 -48.851 47.322) 68.013 62.142 ( -0.000 -1.127 0.100) 1.131 62.292 ( 0.000 0.494 0.264) 0.560======================= Grid point 24 (11/165) =======================q-point: ( 0.39 -0.01 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( 0.000 4.703 2.440) 5.298 1.486 ( 0.000 4.367 5.633) 7.128 2.483 ( 0.000 9.849 5.907) 11.485 4.445 ( 0.000 0.135 0.020) 0.137 4.503 ( 0.000 -2.189 7.752) 8.055 4.601 ( 0.000 1.150 1.967) 2.278 4.682 ( -0.000 1.251 -3.882) 4.079 5.399 ( 0.000 -6.727 6.778) 9.550 5.812 ( -0.000 1.818 -10.024) 10.188 12.713 ( -0.000 -12.469 -8.781) 15.250 13.861 ( -0.000 0.083 -1.189) 1.192 14.153 ( 0.000 4.575 0.279) 4.583 25.304 ( 0.000 1.188 0.713) 1.385 25.621 ( -0.000 -0.715 -0.410) 0.824 26.146 ( 0.000 0.345 0.639) 0.726 26.574 ( -0.000 -1.399 0.015) 1.399 26.740 ( -0.000 -0.039 -0.381) 0.383 51.530 ( -0.000 -11.771 -0.253) 11.774 53.999 ( -0.000 5.733 -9.284) 10.911 62.216 ( 0.000 0.696 -0.021) 0.696 62.278 ( 0.000 0.218 0.202) 0.297======================= Grid point 25 (12/165) =======================q-point: ( 0.39 -0.01 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( 12.956 2.878 -0.826) 13.297 1.621 ( 3.656 5.735 0.035) 6.802 2.583 ( -1.961 2.157 2.972) 4.164 4.250 ( -10.969 -2.057 1.169) 11.221 4.348 ( -11.779 1.274 2.071) 12.027 4.656 ( 5.284 -0.889 9.732) 11.110 4.877 ( 8.412 -1.203 2.003) 8.731 5.327 ( 4.005 -2.424 0.544) 4.713 5.889 ( -1.707 7.178 -14.509) 16.277 12.530 ( 4.018 -10.135 3.525) 11.458 13.737 ( -3.356 -8.703 5.465) 10.811 14.246 ( 4.425 0.253 0.004) 4.432 25.328 ( 0.377 0.830 -0.088) 0.916 25.601 ( -1.056 -0.158 -0.206) 1.088 26.158 ( 0.014 0.814 -0.214) 0.842 26.563 ( 0.316 -0.010 0.003) 0.317 26.723 ( -1.389 -0.175 -0.169) 1.410 51.530 ( 11.899 -0.262 -0.108) 11.902 53.867 ( -13.978 -3.861 -4.002) 15.044 62.243 ( 1.701 0.136 0.127) 1.711 62.282 ( 0.042 -0.176 -0.269) 0.324======================= Grid point 27 (13/165) =======================q-point: (-0.11 -0.01 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.787 ( 10.830 5.514 -12.315) 17.301 0.925 ( 10.153 18.336 -5.683) 21.716 1.462 ( 25.910 6.161 -7.159) 27.578 4.225 ( -0.334 -13.203 0.726) 13.227 4.367 ( -5.683 -1.914 -5.050) 7.840 4.432 ( -2.251 -4.641 -3.974) 6.511 4.836 ( 1.678 4.358 -0.893) 4.754 5.658 ( -7.886 11.460 0.053) 13.911 5.957 ( 6.533 -3.678 4.218) 8.602 13.669 ( -17.523 -12.501 4.833) 22.061 13.912 ( 7.385 4.468 -0.244) 8.635 14.166 ( -2.589 4.386 8.288) 9.728 25.204 ( 1.844 0.851 -0.846) 2.200 25.676 ( -1.347 -1.126 0.452) 1.813 26.089 ( 0.621 0.279 -1.076) 1.273 26.663 ( -2.247 0.843 0.069) 2.400 26.742 ( 0.259 -1.774 0.761) 1.947 52.422 ( -20.346 15.869 0.698) 25.812 53.923 ( 12.967 -26.651 20.664) 36.130 62.236 ( -0.070 2.999 0.339) 3.019 62.316 ( 1.617 4.464 2.637) 5.431======================= Grid point 28 (14/165) =======================q-point: (-0.61 -0.01 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( 11.085 -0.358 -2.688) 11.412 1.861 ( 10.110 5.785 -4.011) 12.319 2.494 ( -4.200 -4.736 0.595) 6.358 4.021 ( -8.689 -0.699 -0.280) 8.722 4.161 ( -10.150 2.420 2.285) 10.681 4.733 ( 0.880 2.323 15.679) 15.875 4.919 ( 3.758 -4.445 8.907) 10.640 5.431 ( 7.406 -1.300 -11.304) 13.576 6.000 ( -4.165 9.244 -15.092) 18.182 12.475 ( 5.499 -5.467 20.131) 21.573 13.457 ( -0.040 -14.213 2.898) 14.505 14.323 ( 7.069 -4.138 -0.212) 8.194 25.347 ( 0.364 0.298 -0.593) 0.757 25.579 ( -1.531 0.571 -0.064) 1.636 26.175 ( -0.150 0.941 -0.876) 1.294 26.585 ( 0.400 1.407 0.049) 1.464 26.683 ( -2.257 -0.254 0.019) 2.271 51.954 ( 19.128 11.434 0.267) 22.287 53.359 ( -20.302 -12.715 -0.383) 23.958 62.266 ( 0.402 -1.220 -0.562) 1.402 62.281 ( 0.683 0.752 0.797) 1.291======================= Grid point 29 (15/165) =======================q-point: (-0.61 -0.01 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 3.945 -3.945 -4.275) 7.028 2.120 ( 6.694 -6.694 -5.974) 11.194 2.315 ( -0.647 0.647 1.091) 1.425 3.923 ( -3.646 3.646 -1.006) 5.253 4.080 ( -5.973 5.973 2.757) 8.886 4.768 ( -4.952 4.952 19.130) 20.371 4.905 ( 6.602 -6.602 8.592) 12.689 5.496 ( 4.424 -4.424 -14.366) 15.670 6.055 ( -7.471 7.471 -14.992) 18.341 12.489 ( 3.341 -3.341 31.300) 31.655 13.294 ( 10.286 -10.286 -3.204) 14.895 14.352 ( 6.946 -6.946 -0.292) 9.827 25.353 ( 0.121 -0.121 -0.755) 0.774 25.569 ( -1.268 1.268 -0.021) 1.794 26.184 ( -0.591 0.591 -1.118) 1.395 26.624 ( -0.939 0.939 0.107) 1.332 26.637 ( -0.996 0.996 0.074) 1.411 52.641 ( -0.459 0.459 1.806) 1.919 52.650 ( 0.452 -0.452 -0.697) 0.946 62.255 ( 0.148 -0.148 -0.395) 0.447 62.298 ( 0.258 -0.258 1.070) 1.130======================= Grid point 30 (16/165) =======================q-point: (-0.11 -0.01 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 11.754 7.090 -8.481) 16.135 1.476 ( 8.563 18.084 -2.237) 20.133 2.020 ( 17.668 6.493 -2.835) 19.035 3.958 ( -0.733 -11.989 -0.360) 12.017 4.185 ( -6.489 -4.673 -8.472) 11.650 4.252 ( -3.715 -6.997 -3.361) 8.606 4.890 ( -1.073 2.027 -4.003) 4.613 5.813 ( -2.228 12.315 5.531) 13.682 6.042 ( 7.267 -1.560 6.398) 9.807 12.978 ( -21.388 -17.312 -3.101) 27.691 14.174 ( 5.290 7.057 2.042) 9.053 14.215 ( -1.663 6.500 5.762) 8.844 25.261 ( 1.866 1.035 -0.662) 2.234 25.618 ( -1.468 -1.763 0.275) 2.310 26.116 ( 1.121 0.642 -0.314) 1.329 26.631 ( -2.523 0.663 0.103) 2.611 26.699 ( 0.034 -2.746 0.272) 2.759 52.356 ( -21.509 19.793 0.754) 29.240 53.516 ( 9.876 -32.696 6.784) 34.823 62.239 ( -0.527 -0.068 -0.033) 0.533 62.438 ( -0.903 3.966 2.716) 4.891======================= Grid point 31 (17/165) =======================q-point: (-0.11 -0.01 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 11.309 7.221 -5.270) 14.415 1.928 ( 6.165 12.863 -0.971) 14.297 2.383 ( 8.325 4.707 0.397) 9.572 3.757 ( 0.403 -8.089 -0.761) 8.135 3.933 ( -5.269 -8.471 -13.212) 16.556 4.060 ( -3.583 -4.798 -0.292) 5.996 4.900 ( -1.540 1.793 -3.692) 4.383 5.967 ( 1.088 3.665 6.800) 7.801 6.194 ( 4.964 4.533 6.787) 9.552 12.260 ( -18.013 -14.481 -9.689) 25.061 14.250 ( -5.389 7.413 8.118) 12.243 14.454 ( 4.705 7.262 -0.116) 8.654 25.310 ( 1.361 0.657 -0.536) 1.603 25.558 ( -1.002 -1.711 0.145) 1.988 26.151 ( 1.125 0.597 0.159) 1.283 26.597 ( -1.772 0.284 0.028) 1.795 26.644 ( -0.034 -2.657 0.087) 2.659 52.382 ( -13.753 18.589 0.333) 23.126 53.118 ( 7.351 -25.229 2.155) 26.366 62.230 ( -0.060 -0.291 -0.161) 0.338 62.420 ( -3.394 -0.576 1.406) 3.718======================= Grid point 34 (18/165) =======================q-point: (-0.11 -0.01 0.51)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( 6.449 2.978 -3.051) 7.731 2.190 ( 2.249 4.978 -0.783) 5.518 2.533 ( 0.360 2.656 3.651) 4.529 3.643 ( -0.769 -3.673 -4.619) 5.952 3.729 ( 2.133 -7.164 -12.531) 14.592 3.943 ( -1.193 -2.084 0.514) 2.456 4.903 ( -1.660 1.733 -3.598) 4.325 6.017 ( 2.101 -1.125 7.132) 7.519 6.347 ( 0.633 4.052 6.871) 8.002 11.803 ( -7.958 -4.740 -13.035) 15.991 14.278 ( -6.870 7.632 8.372) 13.249 14.621 ( 0.218 4.384 -0.001) 4.389 25.336 ( 0.670 0.028 -0.430) 0.796 25.520 ( -0.057 -0.998 0.084) 1.004 26.177 ( 0.633 0.089 0.344) 0.726 26.579 ( -0.154 -0.114 -0.068) 0.203 26.602 ( -0.071 -1.366 0.015) 1.368 52.541 ( -0.537 11.309 -0.058) 11.322 52.808 ( -1.364 -12.673 0.497) 12.756 62.224 ( 0.246 -0.455 -0.181) 0.548 62.340 ( -1.994 -0.780 0.413) 2.181======================= Grid point 37 (19/165) =======================q-point: ( 0.39 -0.01 -0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( -5.364 13.049 5.424) 15.116 1.452 ( -4.152 5.111 10.001) 11.974 2.226 ( -14.585 -0.533 8.919) 17.104 4.210 ( -1.834 -12.881 -1.090) 13.056 4.417 ( 3.756 -7.918 2.697) 9.169 4.724 ( 1.700 5.653 10.317) 11.887 4.829 ( -4.183 12.268 -5.233) 13.978 5.488 ( 1.872 -0.693 -5.809) 6.142 5.842 ( 7.551 -3.112 3.505) 8.887 13.002 ( 12.661 3.820 -13.735) 19.067 13.737 ( -7.034 -4.718 -12.863) 15.402 14.079 ( -7.209 4.471 0.443) 8.494 25.285 ( -1.253 0.582 1.459) 2.009 25.628 ( 1.103 -0.985 -0.534) 1.572 26.144 ( 0.088 -0.052 1.363) 1.367 26.615 ( 2.273 0.455 -0.035) 2.318 26.723 ( -0.263 -1.448 -0.480) 1.548 51.974 ( 19.873 13.124 -0.838) 23.830 53.613 ( -16.497 -16.732 -11.196) 26.028 62.225 ( -0.676 2.143 -0.379) 2.279 62.284 ( -0.321 1.114 -0.123) 1.166======================= Grid point 40 (20/165) =======================q-point: ( 0.39 -0.01 -0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( -7.116 7.116 8.580) 13.224 1.504 ( -11.089 11.089 8.053) 17.630 2.023 ( -6.753 6.753 11.496) 14.946 4.049 ( 5.124 -5.124 0.520) 7.265 4.374 ( 6.033 -6.033 1.144) 8.609 4.803 ( -1.432 1.432 12.808) 12.967 4.915 ( -8.043 8.043 -4.856) 12.367 5.485 ( -0.562 0.562 -13.590) 13.614 5.904 ( 8.656 -8.656 9.330) 15.391 13.253 ( 4.730 -4.730 -6.781) 9.525 13.527 ( -2.618 2.618 -26.473) 26.731 14.052 ( -7.187 7.187 0.480) 10.175 25.279 ( -1.044 1.044 1.747) 2.288 25.629 ( 1.306 -1.306 -0.547) 1.926 26.145 ( 0.190 -0.190 1.650) 1.672 26.665 ( 0.845 -0.845 -0.158) 1.206 26.684 ( 0.905 -0.905 -0.432) 1.351 52.638 ( 0.360 -0.360 -0.146) 0.530 52.931 ( 2.198 -2.198 -11.351) 11.769 62.245 ( -0.689 0.689 -0.656) 1.175 62.297 ( -1.849 1.849 -1.027) 2.809======================= Grid point 43 (21/165) =======================q-point: (-0.23 -0.03 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( -0.000 -9.138 -8.449) 12.445 1.043 ( -0.000 -8.857 -13.972) 16.543 1.632 ( -0.000 -21.310 -15.150) 26.146 4.405 ( 0.000 -2.212 1.966) 2.959 4.481 ( -0.000 3.489 -5.803) 6.771 4.551 ( -0.000 1.614 -4.544) 4.822 4.654 ( 0.000 -5.905 5.522) 8.085 5.601 ( 0.000 4.626 0.797) 4.694 5.964 ( 0.000 6.638 -3.346) 7.434 13.567 ( 0.000 14.355 16.685) 22.010 13.878 ( -0.000 -7.261 -0.530) 7.280 13.931 ( 0.000 -1.647 12.589) 12.696 25.219 ( -0.000 -1.612 -1.620) 2.285 25.675 ( 0.000 1.188 0.788) 1.426 26.116 ( -0.000 0.140 -1.781) 1.787 26.654 ( 0.000 2.142 -0.045) 2.143 26.742 ( 0.000 -0.723 0.882) 1.140 52.233 ( 0.000 19.308 0.288) 19.311 53.723 ( 0.000 -25.712 22.986) 34.489 62.168 ( -0.000 -1.600 0.103) 1.603 62.278 ( 0.000 0.487 0.001) 0.487======================= Grid point 44 (22/165) =======================q-point: ( 0.28 -0.03 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( 0.000 9.194 4.443) 10.211 1.200 ( 0.000 8.185 11.325) 13.973 2.045 ( 0.000 19.568 9.239) 21.639 4.405 ( 0.000 -4.014 8.108) 9.047 4.441 ( -0.000 0.567 -0.400) 0.694 4.532 ( 0.000 0.749 2.817) 2.915 4.728 ( -0.000 1.722 -3.747) 4.124 5.436 ( 0.000 -9.730 6.341) 11.614 5.951 ( -0.000 3.161 -8.609) 9.171 13.240 ( -0.000 -18.759 -12.171) 22.361 13.932 ( -0.000 -2.212 -4.515) 5.028 14.025 ( 0.000 7.401 0.433) 7.414 25.255 ( 0.000 1.954 1.084) 2.234 25.651 ( -0.000 -1.218 -0.645) 1.378 26.120 ( 0.000 0.564 1.113) 1.248 26.610 ( -0.000 -2.202 0.030) 2.202 26.750 ( -0.000 0.092 -0.659) 0.666 51.846 ( -0.000 -19.131 -0.303) 19.134 54.083 ( -0.000 11.843 -17.530) 21.156 62.197 ( 0.000 1.303 -0.058) 1.305 62.275 ( -0.000 0.076 -0.330) 0.339======================= Grid point 45 (23/165) =======================q-point: ( 0.28 -0.03 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 13.775 7.335 1.116) 15.646 1.412 ( 3.667 9.407 6.148) 11.821 2.360 ( -0.055 11.909 5.626) 13.171 4.266 ( -14.491 1.405 -0.247) 14.561 4.274 ( -5.006 -3.555 5.543) 8.272 4.485 ( -3.534 -0.832 8.841) 9.557 4.859 ( 6.032 -2.700 3.840) 7.644 5.406 ( 11.343 -3.088 -2.671) 12.056 6.024 ( -1.698 5.946 -11.963) 13.466 12.818 ( -3.944 -19.896 -1.154) 20.316 13.849 ( 2.559 -8.244 -0.475) 8.645 14.193 ( 4.500 4.758 0.225) 6.553 25.297 ( 0.429 1.829 0.512) 1.948 25.618 ( -1.143 -0.887 -0.427) 1.509 26.138 ( 0.129 1.104 0.314) 1.155 26.578 ( 0.416 -1.460 -0.011) 1.518 26.733 ( -1.508 -0.183 -0.398) 1.571 51.661 ( 12.475 -12.420 -0.392) 17.608 54.015 ( -18.205 2.576 -9.699) 20.787 62.232 ( 0.853 0.301 0.211) 0.929 62.302 ( 2.626 -0.362 -1.080) 2.862======================= Grid point 46 (24/165) =======================q-point: (-0.23 -0.03 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 445Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( 8.953 -8.953 -11.047) 16.803 0.870 ( 11.773 -11.773 -10.560) 19.716 1.382 ( 8.421 -8.421 -22.750) 25.679 4.258 ( -4.743 4.743 1.102) 6.797 4.517 ( -3.406 3.406 -3.453) 5.927 4.584 ( 0.437 -0.437 -6.568) 6.597 4.659 ( 9.886 -9.886 5.394) 14.985 5.633 ( 2.174 -2.174 8.762) 9.286 6.079 ( -10.077 10.077 -11.095) 18.060 13.731 ( -6.939 6.939 15.264) 18.147 13.799 ( 4.253 -4.253 0.208) 6.018 13.897 ( 1.603 -1.603 18.999) 19.134 25.203 ( 0.887 -0.887 -1.872) 2.254 25.686 ( -0.846 0.846 0.811) 1.445 26.120 ( -0.440 0.440 -2.008) 2.102 26.693 ( -0.432 0.432 0.022) 0.612 26.715 ( 0.093 -0.093 0.840) 0.850 52.661 ( -0.452 0.452 0.271) 0.694 53.132 ( 10.995 -10.995 20.601) 25.811 62.174 ( 2.918 -2.918 1.179) 4.291 62.287 ( -0.658 0.658 -0.329) 0.986======================= Grid point 48 (25/165) =======================q-point: ( 0.28 -0.03 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 6.225 7.306 1.419) 9.702 1.743 ( 14.855 6.897 -0.216) 16.379 2.488 ( -1.393 2.590 2.214) 3.681 4.021 ( -12.505 1.364 0.428) 12.586 4.103 ( -6.331 -2.142 2.840) 7.262 4.377 ( -7.084 1.262 15.651) 17.226 4.871 ( 4.400 -4.564 6.221) 8.882 5.641 ( 12.262 0.002 -9.436) 15.472 6.112 ( -2.641 7.252 -12.763) 14.915 12.361 ( -5.201 -16.211 14.162) 22.145 13.735 ( 8.044 -13.519 -3.143) 16.042 14.362 ( 7.136 0.402 0.009) 7.147 25.336 ( 0.325 1.269 0.111) 1.315 25.578 ( -1.707 -0.200 -0.229) 1.733 26.165 ( 0.091 1.295 -0.364) 1.349 26.571 ( 0.407 -0.097 0.012) 0.419 26.689 ( -2.386 -0.261 -0.156) 2.405 51.845 ( 19.207 -0.792 -0.126) 19.224 53.576 ( -23.028 -4.799 -3.837) 23.833 62.249 ( -0.072 0.846 0.583) 1.030 62.318 ( 1.510 -2.327 -1.125) 2.994======================= Grid point 49 (26/165) =======================q-point: ( 0.28 -0.03 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 3.439 2.705 -1.485) 4.620 2.127 ( 10.654 6.097 0.421) 12.283 2.410 ( -2.612 -6.095 -1.265) 6.750 3.858 ( -7.815 3.011 1.871) 8.581 3.976 ( -4.061 0.301 1.141) 4.229 4.293 ( -8.055 5.787 18.216) 20.741 4.870 ( 4.941 -4.908 6.565) 9.572 5.811 ( 6.275 -1.719 -11.827) 13.498 6.187 ( -3.572 5.994 -12.341) 14.177 12.052 ( -0.704 -8.115 23.957) 25.304 13.656 ( 13.239 -15.448 -6.371) 21.319 14.467 ( 6.972 -4.081 -0.128) 8.080 25.357 ( -0.090 0.625 -0.111) 0.642 25.550 ( -1.487 0.709 -0.132) 1.653 26.186 ( -0.332 0.960 -0.696) 1.231 26.590 ( 0.271 1.370 0.068) 1.398 26.636 ( -2.314 -0.251 0.007) 2.328 52.337 ( 19.297 11.242 0.026) 22.333 52.974 ( -19.713 -13.240 -0.948) 23.766 62.256 ( -0.953 0.762 0.230) 1.242 62.296 ( 0.852 -1.490 -0.025) 1.716======================= Grid point 50 (27/165) =======================q-point: (-0.23 -0.03 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( 8.895 12.389 -4.704) 15.961 1.255 ( 7.120 7.115 -10.412) 14.482 2.056 ( 18.761 1.224 -8.289) 20.547 4.227 ( 1.797 -14.803 0.718) 14.929 4.354 ( -4.371 -4.793 -3.964) 7.602 4.523 ( -2.492 -0.731 -9.920) 10.254 4.879 ( 0.889 8.125 -0.433) 8.185 5.508 ( -7.242 7.093 -0.237) 10.140 5.928 ( 3.853 -2.146 8.872) 9.908 13.196 ( -18.505 -4.818 6.863) 20.316 13.939 ( -1.382 1.091 8.514) 8.694 14.072 ( 7.206 4.597 -0.263) 8.551 25.261 ( 1.859 0.634 -1.095) 2.249 25.639 ( -1.255 -1.105 0.572) 1.767 26.121 ( 0.602 0.121 -1.007) 1.180 26.616 ( -2.308 0.570 0.042) 2.378 26.734 ( 0.125 -1.581 0.575) 1.687 51.990 ( -20.378 13.947 0.786) 24.706 53.863 ( 12.972 -21.054 14.516) 28.675 62.229 ( -0.008 1.738 0.088) 1.740 62.299 ( 0.718 3.218 1.494) 3.620======================= Grid point 51 (28/165) =======================q-point: (-0.23 -0.03 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 804Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 9.870 5.914 -6.370) 13.153 1.644 ( 4.723 17.568 -1.579) 18.260 2.361 ( 10.367 0.336 -3.415) 10.920 3.983 ( 1.834 -13.059 -0.615) 13.201 4.164 ( -3.931 -5.886 -1.807) 7.305 4.401 ( -3.208 -5.526 -17.108) 18.263 4.946 ( -3.024 3.438 -5.901) 7.469 5.642 ( -0.512 11.041 9.441) 14.537 5.990 ( 5.624 -1.156 11.598) 12.942 12.698 ( -18.041 -8.190 -8.519) 21.567 13.924 ( -6.016 4.891 9.551) 12.301 14.311 ( 4.690 7.216 -0.173) 8.608 25.309 ( 1.524 0.698 -0.664) 1.803 25.589 ( -0.901 -1.741 0.319) 1.986 26.142 ( 1.031 0.269 -0.139) 1.075 26.588 ( -1.594 0.501 0.050) 1.672 26.693 ( -0.090 -2.486 0.273) 2.503 51.985 ( -13.332 19.638 0.609) 23.744 53.562 ( 6.134 -26.271 6.183) 27.678 62.238 ( 0.196 -0.037 -0.370) 0.420 62.361 ( -1.843 2.616 2.049) 3.800======================= Grid point 54 (29/165) =======================q-point: (-0.23 -0.03 0.53)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( 7.343 5.010 -3.101) 9.414 2.032 ( 3.879 12.891 -0.353) 13.467 2.463 ( 0.860 -1.009 0.707) 1.502 3.807 ( 2.229 -8.873 -1.326) 9.244 3.996 ( -2.169 -4.636 -0.299) 5.127 4.234 ( 0.167 -7.214 -20.993) 22.199 4.951 ( -3.314 3.575 -6.605) 8.209 5.807 ( 1.530 3.824 12.875) 13.518 6.097 ( 3.777 1.934 11.546) 12.301 12.249 ( -12.052 -5.853 -20.240) 24.272 13.902 ( -9.488 8.510 11.647) 17.265 14.506 ( 0.296 7.101 0.002) 7.107 25.342 ( 0.874 0.301 -0.399) 1.007 25.544 ( -0.109 -1.627 0.163) 1.639 26.167 ( 0.989 0.088 0.442) 1.087 26.578 ( -0.138 0.286 -0.038) 0.320 26.640 ( -0.158 -2.441 0.062) 2.447 52.232 ( -0.856 19.187 0.059) 19.206 53.131 ( -2.379 -21.253 1.927) 21.472 62.241 ( 0.624 -0.625 -0.420) 0.978 62.336 ( -2.504 0.212 0.928) 2.679======================= Grid point 55 (30/165) =======================q-point: (-0.23 -0.03 -0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 447Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 0.366 -0.366 -1.256) 1.359 2.242 ( -0.361 0.361 -2.688) 2.736 2.412 ( -3.220 3.220 4.724) 6.561 3.738 ( 4.412 -4.412 -1.899) 6.523 3.925 ( 1.225 -1.225 0.250) 1.751 4.162 ( 4.981 -4.981 -22.080) 23.176 4.954 ( -3.516 3.516 -6.946) 8.543 5.855 ( 1.109 -1.109 13.724) 13.814 6.162 ( -0.488 0.488 11.451) 11.472 12.065 ( -2.387 2.387 -24.366) 24.599 13.891 ( -10.345 10.345 12.607) 19.312 14.580 ( -4.224 4.224 0.074) 5.974 25.354 ( 0.247 -0.247 -0.295) 0.457 25.527 ( 0.879 -0.879 0.115) 1.248 26.178 ( 0.469 -0.469 0.623) 0.910 26.590 ( 0.618 -0.618 -0.136) 0.884 26.603 ( 0.642 -0.642 0.026) 0.908 52.630 ( -0.301 0.301 -0.301) 0.521 52.687 ( -0.520 0.520 0.735) 1.040 62.239 ( 0.735 -0.735 -0.219) 1.063 62.310 ( -0.728 0.728 0.089) 1.033======================= Grid point 61 (31/165) =======================q-point: ( 0.28 -0.03 -0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( -8.025 12.491 8.305) 17.012 1.108 ( -8.952 8.310 11.976) 17.106 1.667 ( -19.601 3.866 13.862) 24.316 4.211 ( 0.454 -11.589 -0.801) 11.626 4.440 ( 4.317 -4.207 3.185) 6.818 4.566 ( 1.773 0.275 8.962) 9.140 4.817 ( -5.662 9.820 -3.454) 11.850 5.639 ( 3.634 3.748 -4.266) 6.742 5.911 ( 4.111 -4.915 2.319) 6.814 13.519 ( 14.249 -5.473 -11.262) 18.969 13.906 ( -5.382 2.250 -5.717) 8.167 13.948 ( -3.881 2.734 -9.679) 10.780 25.227 ( -1.547 0.793 1.564) 2.339 25.664 ( 1.260 -0.992 -0.702) 1.750 26.115 ( -0.022 -0.024 1.652) 1.652 26.662 ( 2.221 0.693 -0.086) 2.328 26.727 ( -0.607 -1.515 -0.760) 1.801 52.403 ( 20.374 15.344 -1.194) 25.534 53.519 ( -21.693 -18.740 -19.379) 34.603 62.222 ( -1.344 3.977 -1.158) 4.355 62.282 ( -0.515 0.944 -0.690) 1.278======================= Grid point 64 (32/165) =======================q-point: (-0.34 -0.04 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( -0.000 -5.442 -6.243) 8.282 1.406 ( -0.000 -4.345 -10.263) 11.145 2.232 ( -0.000 -15.198 -9.719) 18.040 4.411 ( 0.000 -2.686 2.453) 3.638 4.542 ( -0.000 1.545 -4.945) 5.181 4.613 ( -0.000 1.765 -5.191) 5.483 4.640 ( 0.000 -2.796 4.341) 5.163 5.497 ( 0.000 1.764 3.583) 3.994 5.876 ( 0.000 9.244 -4.420) 10.246 12.960 ( 0.000 12.450 17.141) 21.185 13.787 ( 0.000 -6.966 11.160) 13.156 14.034 ( -0.000 -7.219 -0.510) 7.237 25.280 ( -0.000 -1.281 -1.527) 1.993 25.638 ( 0.000 1.050 0.596) 1.207 26.145 ( -0.000 0.151 -1.430) 1.438 26.610 ( 0.000 2.217 -0.030) 2.217 26.738 ( 0.000 -0.259 0.539) 0.598 51.840 ( 0.000 19.107 0.332) 19.110 53.785 ( 0.000 -16.197 13.179) 20.881 62.196 ( -0.000 -1.336 0.033) 1.336 62.276 ( -0.000 0.143 -0.451) 0.473======================= Grid point 65 (33/165) =======================q-point: ( 0.16 -0.04 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( 0.000 13.204 5.043) 14.134 0.755 ( 0.000 10.962 15.159) 18.707 1.406 ( 0.000 28.212 8.067) 29.343 4.374 ( 0.000 -5.712 4.838) 7.486 4.434 ( 0.000 1.904 -1.108) 2.202 4.482 ( 0.000 -1.274 2.577) 2.875 4.753 ( -0.000 3.208 -4.277) 5.347 5.519 ( -0.000 -10.482 6.275) 12.217 5.997 ( -0.000 4.601 -3.905) 6.035 13.808 ( -0.000 -16.092 -8.478) 18.189 13.870 ( 0.000 6.329 0.160) 6.331 14.103 ( -0.000 -4.134 -5.699) 7.041 25.196 ( 0.000 1.968 0.853) 2.144 25.688 ( -0.000 -1.285 -0.534) 1.391 26.086 ( 0.000 0.518 1.256) 1.359 26.653 ( -0.000 -2.131 0.028) 2.131 26.761 ( -0.000 0.300 -0.952) 0.998 52.237 ( -0.000 -19.275 -0.166) 19.276 54.229 ( -0.000 15.534 -27.389) 31.488 62.169 ( 0.000 1.556 -0.069) 1.557 62.288 ( -0.000 -0.025 -0.948) 0.948======================= Grid point 66 (34/165) =======================q-point: ( 0.16 -0.04 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( 4.075 13.229 8.396) 16.190 1.120 ( 16.178 9.825 3.007) 19.165 1.931 ( 2.822 21.343 4.576) 22.010 4.220 ( -8.271 -2.527 2.805) 9.092 4.279 ( -10.323 -1.199 2.049) 10.592 4.385 ( -6.125 -2.363 4.254) 7.823 4.835 ( 3.679 -1.643 3.011) 5.030 5.533 ( 14.969 -4.808 -2.119) 15.864 6.082 ( -1.899 6.343 -6.254) 9.108 13.277 ( -12.622 -22.422 -2.138) 25.820 14.053 ( 5.329 1.009 -2.304) 5.893 14.078 ( 6.507 -1.292 -1.933) 6.910 25.245 ( 0.583 2.269 0.593) 2.416 25.649 ( -1.221 -1.369 -0.376) 1.872 26.107 ( 0.318 1.196 0.537) 1.349 26.617 ( 0.673 -2.348 -0.033) 2.442 26.744 ( -1.729 -0.086 -0.426) 1.783 52.002 ( 14.572 -20.770 -0.479) 25.376 54.124 ( -26.252 6.968 -11.459) 29.480 62.230 ( 1.419 -0.300 -0.006) 1.450 62.334 ( 5.211 0.095 -1.832) 5.525======================= Grid point 67 (35/165) =======================q-point: (-0.34 -0.04 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 12.718 -4.909 -8.733) 16.190 1.326 ( 4.944 -9.855 -10.893) 15.499 1.952 ( 1.496 -11.855 -15.061) 19.225 4.193 ( -9.546 0.331 1.165) 9.622 4.498 ( -6.464 4.524 -2.854) 8.391 4.713 ( 11.435 -7.428 6.770) 15.224 4.746 ( 4.848 0.143 -9.563) 10.723 5.478 ( 0.119 -1.978 11.239) 11.412 6.065 ( -6.790 13.602 -12.183) 19.482 13.229 ( 4.024 10.271 19.507) 22.410 13.572 ( -4.385 -9.007 21.339) 23.573 13.935 ( 4.481 -7.195 -0.586) 8.496 25.262 ( 0.621 -1.088 -2.079) 2.427 25.651 ( -0.861 1.128 0.689) 1.577 26.149 ( -0.220 0.432 -1.910) 1.971 26.660 ( 0.518 2.194 0.065) 2.255 26.715 ( -1.377 -0.626 0.502) 1.593 52.379 ( 14.326 20.212 1.342) 24.811 53.223 ( -15.204 -22.398 11.767) 29.518 62.200 ( 3.012 -1.930 0.940) 3.698 62.284 ( -0.124 0.469 -0.626) 0.792======================= Grid point 69 (36/165) =======================q-point: ( 0.16 -0.04 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 5.294 13.593 5.251) 15.503 1.624 ( 17.444 6.828 0.628) 18.743 2.310 ( 2.787 11.510 1.854) 11.987 3.975 ( -13.568 1.506 0.303) 13.654 4.082 ( -6.532 -3.391 7.880) 10.783 4.182 ( -7.903 -3.216 3.928) 9.393 4.850 ( 3.230 -2.966 3.737) 5.761 5.789 ( 14.040 -0.420 -5.607) 15.124 6.172 ( -1.544 6.473 -6.961) 9.630 12.549 ( -14.795 -22.263 6.257) 27.453 14.064 ( 11.044 -10.854 -5.065) 16.293 14.308 ( 7.263 4.822 0.159) 8.720 25.298 ( 0.529 1.928 0.410) 2.041 25.594 ( -1.837 -0.980 -0.212) 2.093 26.141 ( 0.453 1.445 -0.012) 1.514 26.588 ( 0.520 -1.666 -0.032) 1.745 26.697 ( -2.611 -0.187 -0.183) 2.624 51.995 ( 19.748 -13.872 -0.363) 24.137 53.666 ( -29.398 3.913 -4.280) 29.964 62.233 ( -0.016 -0.020 0.189) 0.191 62.397 ( 2.920 -2.921 -1.558) 4.415======================= Grid point 70 (37/165) =======================q-point: ( 0.16 -0.04 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.724 ( 4.044 11.073 2.627) 12.077 2.025 ( 11.946 4.127 0.288) 12.642 2.483 ( 2.103 1.605 -1.183) 2.898 3.770 ( -9.108 -0.192 3.425) 9.732 3.900 ( -9.887 2.901 9.943) 14.319 4.005 ( -4.535 -1.889 0.909) 4.997 4.853 ( 3.306 -3.210 3.499) 5.786 5.995 ( 5.486 1.178 -6.773) 8.795 6.276 ( 1.295 4.057 -6.813) 8.034 11.935 ( -8.627 -15.068 11.971) 21.089 14.068 ( 13.406 -13.224 -5.849) 19.719 14.505 ( 7.112 0.407 0.013) 7.124 25.336 ( 0.061 1.273 0.269) 1.303 25.547 ( -1.678 -0.140 -0.115) 1.688 26.174 ( 0.150 1.186 -0.305) 1.234 26.577 ( 0.253 -0.182 0.025) 0.313 26.641 ( -2.511 -0.219 -0.042) 2.521 52.233 ( 19.109 -1.073 -0.045) 19.139 53.164 ( -22.710 -3.246 -1.363) 22.981 62.234 ( -0.471 0.537 0.282) 0.768 62.352 ( -0.105 -3.257 -0.684) 3.329======================= Grid point 72 (38/165) =======================q-point: (-0.34 -0.04 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( 4.494 13.506 -2.088) 14.387 1.526 ( 4.050 4.110 -5.809) 8.188 2.468 ( 9.533 -1.447 -5.298) 11.002 4.252 ( 1.883 -13.822 0.916) 13.980 4.355 ( -2.321 -9.184 -3.003) 9.938 4.686 ( -1.992 5.628 -10.946) 12.468 4.880 ( 1.138 11.115 2.378) 11.424 5.404 ( -5.278 0.934 -1.920) 5.694 5.797 ( 2.025 -1.346 9.709) 10.009 12.753 ( -12.458 3.685 5.829) 14.239 13.816 ( 0.437 -4.369 3.566) 5.656 14.198 ( 4.558 4.453 -0.245) 6.377 25.309 ( 1.135 0.500 -0.716) 1.432 25.610 ( -0.733 -1.058 0.368) 1.339 26.147 ( 0.363 0.019 -0.595) 0.697 26.578 ( -1.440 0.372 0.011) 1.487 26.725 ( -0.020 -1.422 0.342) 1.463 51.653 ( -12.093 12.230 0.402) 17.204 53.841 ( 6.643 -15.463 7.975) 18.624 62.235 ( 0.496 1.344 -0.109) 1.437 62.287 ( -0.097 1.203 0.453) 1.289======================= Grid point 73 (39/165) =======================q-point: ( 0.16 -0.04 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -2.955 2.955 1.222) 4.354 2.201 ( 1.565 -1.565 1.538) 2.695 2.498 ( 3.291 -3.291 -4.024) 6.152 3.660 ( -3.345 3.345 7.525) 8.889 3.836 ( -7.929 7.929 8.143) 13.858 3.941 ( -1.130 1.130 0.138) 1.603 4.854 ( 3.302 -3.302 3.475) 5.821 6.055 ( -0.613 0.613 -7.140) 7.192 6.338 ( 0.484 -0.484 -6.642) 6.677 11.695 ( 3.052 -3.052 13.856) 14.512 14.070 ( 14.176 -14.176 -6.239) 20.996 14.581 ( 4.176 -4.176 -0.042) 5.906 25.349 ( -0.576 0.576 0.199) 0.839 25.529 ( -0.889 0.889 -0.085) 1.260 26.188 ( -0.522 0.522 -0.378) 0.829 26.588 ( -0.652 0.652 0.073) 0.925 26.603 ( -0.613 0.613 -0.003) 0.867 52.627 ( 0.095 -0.095 0.033) 0.138 52.698 ( 0.494 -0.494 -0.430) 0.820 62.234 ( -0.705 0.705 0.228) 1.022 62.313 ( 0.884 -0.884 -0.195) 1.266======================= Grid point 76 (40/165) =======================q-point: (-0.34 -0.04 0.54)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 1.018 10.002 -1.023) 10.106 1.736 ( 6.261 12.884 0.595) 14.337 2.529 ( 1.504 -3.394 -1.815) 4.132 4.024 ( 0.795 -11.476 -0.114) 11.504 4.142 ( -0.794 -8.965 -1.352) 9.101 4.714 ( -0.710 -0.072 -18.484) 18.498 4.998 ( -3.399 5.084 -6.263) 8.754 5.438 ( 0.092 6.034 11.454) 12.946 5.856 ( 5.627 -1.137 12.909) 14.128 12.618 ( -9.212 4.115 -11.427) 15.244 13.665 ( -6.776 -3.267 3.733) 8.398 14.362 ( 0.213 7.125 0.008) 7.128 25.338 ( 0.646 0.578 -0.090) 0.872 25.574 ( -0.109 -1.645 0.161) 1.656 26.159 ( 0.741 0.021 0.264) 0.786 26.571 ( -0.051 0.421 -0.009) 0.425 26.686 ( -0.135 -2.301 0.111) 2.308 51.843 ( -0.438 19.247 0.087) 19.252 53.511 ( -2.475 -21.236 2.695) 21.549 62.261 ( 0.939 -0.201 -0.631) 1.149 62.298 ( -1.605 1.520 0.951) 2.407======================= Grid point 77 (41/165) =======================q-point: ( 0.66 -0.04 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( -0.861 5.384 1.773) 5.733 2.108 ( 4.292 12.939 2.259) 13.818 2.401 ( -5.705 -5.066 -0.084) 7.630 3.867 ( 2.309 -6.882 0.486) 7.275 4.002 ( 2.067 -6.088 -1.501) 6.603 4.687 ( 2.832 -3.955 -22.058) 22.588 5.018 ( -4.827 5.433 -8.515) 11.195 5.537 ( 0.133 2.764 17.013) 17.236 5.936 ( 4.541 -1.825 13.032) 13.920 12.554 ( -4.013 2.445 -27.607) 28.004 13.497 ( -9.494 4.078 10.210) 14.526 14.465 ( -4.209 7.026 0.161) 8.192 25.354 ( 0.088 0.320 0.201) 0.388 25.548 ( 0.741 -1.473 0.065) 1.651 26.171 ( 0.664 -0.249 0.791) 1.063 26.592 ( 1.390 0.305 -0.083) 1.426 26.637 ( -0.189 -2.301 -0.030) 2.309 52.340 ( 11.314 19.229 -0.288) 22.313 52.962 ( -12.335 -19.170 0.222) 22.796 62.255 ( 0.098 -0.832 0.249) 0.874 62.302 ( -0.358 0.794 -0.698) 1.116======================= Grid point 83 (42/165) =======================q-point: ( 0.16 -0.04 -0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( -7.841 7.841 14.686) 18.402 0.700 ( -14.503 14.503 6.785) 21.604 1.004 ( -17.059 17.059 14.405) 28.099 4.274 ( 5.380 -5.380 -0.525) 7.627 4.464 ( 2.715 -2.715 1.964) 4.313 4.468 ( 2.494 -2.494 5.141) 6.234 4.756 ( -6.998 6.998 -4.369) 10.818 5.762 ( -2.602 2.602 -4.708) 5.975 5.896 ( 5.408 -5.408 7.892) 10.989 13.792 ( -4.543 4.543 0.321) 6.433 13.948 ( 10.841 -10.841 -7.463) 17.051 14.180 ( -0.909 0.909 -10.169) 10.250 25.175 ( -1.044 1.044 1.003) 1.784 25.699 ( 0.930 -0.930 -0.504) 1.409 26.084 ( 0.114 -0.114 1.749) 1.756 26.693 ( 0.372 -0.372 -0.015) 0.527 26.738 ( 0.097 -0.097 -1.485) 1.492 52.665 ( 0.414 -0.414 -0.169) 0.610 53.693 ( -7.174 7.174 -37.687) 39.028 62.205 ( -3.876 3.876 -1.913) 5.805 62.291 ( -0.336 0.336 -1.058) 1.160======================= Grid point 85 (43/165) =======================q-point: (-0.45 -0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( -0.000 -1.074 -3.675) 3.829 1.592 ( -0.000 0.841 -5.648) 5.711 2.568 ( -0.000 -6.815 -2.721) 7.338 4.415 ( 0.000 -2.759 2.717) 3.872 4.555 ( 0.000 -1.965 4.777) 5.166 4.641 ( -0.000 -0.110 -1.873) 1.876 4.663 ( -0.000 2.560 -4.070) 4.808 5.388 ( 0.000 -1.891 7.995) 8.216 5.823 ( -0.000 10.458 -11.476) 15.526 12.526 ( 0.000 2.823 10.753) 11.117 13.759 ( 0.000 -9.753 9.734) 13.780 14.158 ( -0.000 -4.319 -0.277) 4.328 25.320 ( -0.000 -0.315 -0.935) 0.986 25.615 ( 0.000 0.532 0.187) 0.564 26.161 ( -0.000 0.470 -0.854) 0.974 26.574 ( 0.000 1.412 -0.012) 1.412 26.734 ( 0.000 -0.133 0.187) 0.230 51.526 ( 0.000 11.643 0.164) 11.644 53.867 ( -0.000 -9.829 4.367) 10.755 62.216 ( -0.000 -0.684 -0.028) 0.684 62.284 ( -0.000 0.076 -0.351) 0.359======================= Grid point 86 (44/165) =======================q-point: ( 0.05 -0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.282 ( 0.000 14.727 0.000) 14.727 0.324 ( 0.000 16.366 0.000) 16.366 0.694 ( 0.000 34.651 0.000) 34.651 4.411 ( 0.000 1.258 0.000) 1.258 4.440 ( -0.000 -5.063 -0.000) 5.063 4.484 ( -0.000 -1.116 -0.000) 1.116 4.787 ( 0.000 1.175 0.000) 1.175 5.601 ( -0.000 -8.182 -0.000) 8.182 5.911 ( 0.000 7.128 0.000) 7.128 13.743 ( 0.000 4.581 0.000) 4.581 14.168 ( -0.000 -9.711 -0.000) 9.711 14.239 ( -0.000 -2.556 -0.000) 2.556 25.155 ( 0.000 1.184 0.000) 1.184 25.715 ( -0.000 -0.810 -0.000) 0.810 26.058 ( 0.000 0.495 0.000) 0.495 26.687 ( -0.000 -1.285 -0.000) 1.285 26.774 ( -0.000 -0.085 -0.000) 0.085 52.554 ( -0.000 -12.015 -0.000) 12.015 54.514 ( 0.000 1.489 0.000) 1.489 62.143 ( 0.000 1.114 0.000) 1.114 62.301 ( 0.000 0.050 0.000) 0.050======================= Grid point 87 (45/165) =======================q-point: ( 0.05 -0.05 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( 6.108 13.894 0.000) 15.177 0.875 ( 19.837 11.471 -0.000) 22.915 1.395 ( 7.055 27.729 0.000) 28.612 4.237 ( -14.721 0.395 0.000) 14.726 4.299 ( -2.532 -6.639 -0.000) 7.105 4.401 ( -4.558 -2.475 0.000) 5.187 4.820 ( 1.820 0.052 -0.000) 1.821 5.663 ( 15.579 -6.661 -0.000) 16.943 6.003 ( -3.483 8.098 0.000) 8.815 13.713 ( -14.926 -18.833 0.000) 24.030 13.910 ( 4.558 7.452 0.000) 8.736 14.246 ( 5.615 -4.122 -0.000) 6.966 25.196 ( 0.856 1.946 0.000) 2.126 25.680 ( -1.193 -1.377 0.000) 1.822 26.078 ( 0.471 0.982 0.000) 1.089 26.664 ( 0.901 -2.256 -0.000) 2.430 26.750 ( -1.963 -0.082 0.000) 1.964 52.429 ( 16.009 -20.302 -0.000) 25.855 54.154 ( -33.073 4.022 0.000) 33.317 62.239 ( 2.539 -0.379 -0.000) 2.567 62.349 ( 6.139 1.047 -0.000) 6.227======================= Grid point 88 (46/165) =======================q-point: (-0.45 -0.05 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( 11.753 -2.140 -6.260) 13.487 1.634 ( 4.371 -1.769 -9.231) 10.366 2.373 ( -1.792 -9.959 -6.115) 11.823 4.186 ( -10.421 -1.857 1.471) 10.687 4.451 ( -9.997 3.636 -0.586) 10.653 4.699 ( 11.234 -5.125 7.168) 14.277 4.895 ( 10.024 1.834 -6.046) 11.849 5.315 ( -2.907 -2.664 9.031) 9.854 6.038 ( -4.595 14.339 -14.431) 20.856 12.679 ( 7.782 5.059 19.835) 21.899 13.449 ( -5.107 -15.438 17.366) 23.790 14.088 ( 4.399 -7.019 -0.486) 8.298 25.315 ( 0.387 -0.539 -1.660) 1.788 25.620 ( -0.894 0.948 0.321) 1.342 26.172 ( -0.150 0.697 -1.508) 1.668 26.615 ( 0.361 2.251 0.025) 2.280 26.716 ( -1.368 -0.339 0.289) 1.439 51.959 ( 12.362 19.400 0.660) 23.014 53.448 ( -14.134 -18.043 6.118) 23.722 62.217 ( 1.880 -1.201 0.329) 2.255 62.289 ( 0.142 0.312 -0.497) 0.604======================= Grid point 89 (47/165) =======================q-point: (-0.45 -0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 447Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( 6.082 -6.082 -7.570) 11.458 1.663 ( 9.507 -9.507 -8.567) 15.943 2.221 ( 2.391 -2.391 -8.838) 9.463 4.054 ( -4.015 4.015 -0.019) 5.679 4.384 ( -7.168 7.168 0.277) 10.141 4.766 ( 8.781 -8.781 8.353) 14.966 5.056 ( 4.544 -4.544 -12.152) 13.746 5.215 ( -1.336 1.336 14.346) 14.470 6.142 ( -11.191 11.191 -14.778) 21.653 12.965 ( 3.378 -3.378 32.015) 32.369 13.078 ( 4.371 -4.371 11.621) 13.163 14.062 ( 7.068 -7.068 -0.560) 10.012 25.314 ( 0.576 -0.576 -1.908) 2.074 25.620 ( -1.172 1.172 0.354) 1.695 26.178 ( -0.500 0.500 -1.753) 1.890 26.663 ( -0.899 0.899 0.102) 1.275 26.677 ( -0.839 0.839 0.273) 1.218 52.637 ( -0.219 0.219 -0.108) 0.327 52.760 ( -1.024 1.024 6.741) 6.895 62.228 ( 1.663 -1.663 0.889) 2.515 62.295 ( 0.093 -0.093 -0.434) 0.453======================= Grid point 90 (48/165) =======================q-point: ( 0.05 -0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( 7.554 13.569 0.000) 15.530 1.455 ( 18.135 9.399 -0.000) 20.426 1.993 ( 7.561 18.268 0.000) 19.770 3.956 ( -12.878 -0.284 0.000) 12.881 4.084 ( -6.332 -6.709 0.000) 9.226 4.233 ( -5.548 -3.968 0.000) 6.821 4.850 ( 2.039 -0.926 -0.000) 2.240 5.867 ( 13.134 -2.136 -0.000) 13.306 6.106 ( -1.462 7.582 0.000) 7.721 12.946 ( -19.489 -23.035 0.000) 30.173 14.181 ( 7.351 7.544 -0.000) 10.533 14.284 ( 7.304 -5.045 -0.000) 8.877 25.254 ( 1.002 1.962 0.000) 2.203 25.621 ( -1.811 -1.502 0.000) 2.352 26.113 ( 0.774 1.305 0.000) 1.518 26.632 ( 0.686 -2.563 -0.000) 2.653 26.701 ( -2.831 -0.029 0.000) 2.831 52.364 ( 19.737 -21.571 -0.000) 29.238 53.585 ( -34.766 7.885 0.000) 35.649 62.239 ( -0.069 -0.589 -0.000) 0.593 62.467 ( 3.992 -1.640 -0.000) 4.315======================= Grid point 91 (49/165) =======================q-point: ( 0.05 -0.05 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( 7.455 12.577 0.000) 14.621 1.919 ( 12.694 6.696 -0.000) 14.352 2.388 ( 5.970 8.801 -0.000) 10.635 3.754 ( -8.697 1.369 0.000) 8.804 3.797 ( -9.405 -6.385 0.000) 11.367 4.058 ( -4.249 -3.609 0.000) 5.575 4.864 ( 1.828 -1.409 -0.000) 2.308 6.033 ( 3.916 1.153 -0.000) 4.082 6.260 ( 4.565 4.947 -0.000) 6.731 12.165 ( -15.741 -19.240 0.000) 24.859 14.328 ( 8.365 -6.287 -0.000) 10.464 14.453 ( 7.296 4.807 -0.000) 8.737 25.304 ( 0.612 1.466 0.000) 1.589 25.560 ( -1.740 -1.022 0.000) 2.018 26.153 ( 0.666 1.211 0.000) 1.382 26.597 ( 0.271 -1.811 -0.000) 1.831 26.645 ( -2.700 -0.054 0.000) 2.700 52.385 ( 18.500 -13.919 -0.000) 23.151 53.139 ( -26.057 6.795 0.000) 26.929 62.228 ( -0.280 -0.126 0.000) 0.307 62.434 ( -0.802 -3.846 -0.000) 3.928======================= Grid point 94 (50/165) =======================q-point: ( 0.05 -0.05 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( 2.906 7.283 0.000) 7.841 2.183 ( 4.938 2.171 -0.000) 5.394 2.574 ( 3.765 0.839 -0.000) 3.858 3.530 ( -6.897 -2.143 0.000) 7.223 3.667 ( -5.420 3.438 0.000) 6.419 3.948 ( -1.834 -1.237 0.000) 2.212 4.869 ( 1.703 -1.603 -0.000) 2.339 6.085 ( -1.157 2.168 0.000) 2.457 6.414 ( 4.200 0.507 -0.000) 4.231 11.676 ( -5.000 -8.481 -0.000) 9.845 14.357 ( 8.450 -7.599 -0.000) 11.365 14.621 ( 4.391 0.246 -0.000) 4.398 25.332 ( -0.033 0.767 0.000) 0.768 25.521 ( -1.009 -0.061 0.000) 1.011 26.180 ( 0.102 0.654 0.000) 0.662 26.578 ( -0.146 -0.163 0.000) 0.219 26.602 ( -1.360 -0.084 0.000) 1.363 52.541 ( 11.213 -0.546 -0.000) 11.226 52.813 ( -12.921 -1.520 0.000) 13.010 62.223 ( -0.414 0.222 0.000) 0.470 62.345 ( -0.904 -2.173 -0.000) 2.354======================= Grid point 96 (51/165) =======================q-point: ( 0.55 -0.05 -0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 410Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( 0.000 13.209 -0.000) 13.209 1.621 ( 0.000 3.898 -0.000) 3.898 2.613 ( 0.000 -2.366 -0.000) 2.366 4.261 ( 0.000 -12.558 -0.000) 12.558 4.365 ( 0.000 -11.689 -0.000) 11.689 4.817 ( -0.000 11.379 -0.000) 11.379 4.832 ( 0.000 10.417 0.000) 10.417 5.374 ( 0.000 -3.574 -0.000) 3.574 5.707 ( 0.000 -0.410 -0.000) 0.410 12.565 ( 0.000 6.647 -0.000) 6.647 13.792 ( 0.000 -6.462 -0.000) 6.462 14.246 ( 0.000 4.415 -0.000) 4.415 25.327 ( -0.000 0.447 -0.000) 0.447 25.599 ( 0.000 -1.038 -0.000) 1.038 26.156 ( 0.000 -0.006 -0.000) 0.006 26.563 ( 0.000 0.318 -0.000) 0.318 26.722 ( 0.000 -1.366 -0.000) 1.366 51.529 ( 0.000 11.904 -0.000) 11.904 53.827 ( 0.000 -13.438 -0.000) 13.438 62.244 ( 0.000 1.982 -0.000) 1.982 62.280 ( 0.000 -0.345 -0.000) 0.345======================= Grid point 98 (52/165) =======================q-point: ( 0.55 -0.05 -0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 804Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( -3.459 11.051 2.508) 11.848 1.776 ( 2.293 12.074 4.752) 13.177 2.483 ( -6.370 -3.924 1.766) 7.687 4.012 ( -0.911 -10.062 0.647) 10.124 4.188 ( 3.011 -9.542 -0.615) 10.025 4.984 ( -2.202 9.087 -9.028) 12.997 5.027 ( 1.287 6.705 4.975) 8.448 5.278 ( -0.839 -4.689 -2.204) 5.249 5.762 ( 5.678 -1.662 7.816) 9.802 12.778 ( 3.953 11.012 -9.920) 15.339 13.537 ( -8.405 -9.863 -6.590) 14.538 14.319 ( -4.337 7.113 0.220) 8.334 25.335 ( -0.371 0.669 0.662) 1.011 25.579 ( 0.673 -1.557 -0.115) 1.700 26.159 ( 0.329 -0.076 0.767) 0.838 26.586 ( 1.448 0.438 -0.054) 1.514 26.684 ( -0.140 -2.269 -0.132) 2.277 51.961 ( 11.907 19.271 -0.518) 22.659 53.377 ( -10.704 -20.889 -2.402) 23.594 62.256 ( -0.727 0.049 0.515) 0.893 62.299 ( 0.634 1.450 -1.104) 1.930======================= Grid point 101 (53/165) =======================q-point: ( 0.55 -0.05 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 445Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( -5.572 5.572 4.890) 9.274 2.007 ( -7.791 7.791 5.794) 12.449 2.309 ( -1.761 1.761 1.625) 2.974 3.896 ( 4.002 -4.002 1.762) 5.928 4.121 ( 6.113 -6.113 -1.584) 8.789 5.061 ( -6.127 6.127 -6.102) 10.598 5.140 ( 2.060 -2.060 -19.414) 19.632 5.182 ( -0.865 0.865 18.182) 18.223 5.808 ( 4.686 -4.686 9.335) 11.448 13.084 ( -2.514 2.514 -30.452) 30.659 13.191 ( -1.283 1.283 7.629) 7.841 14.347 ( -7.065 7.065 0.303) 9.996 25.338 ( -0.627 0.627 0.870) 1.243 25.570 ( 1.331 -1.331 -0.142) 1.887 26.162 ( 0.278 -0.278 1.086) 1.155 26.626 ( 0.908 -0.908 -0.175) 1.296 26.638 ( 1.085 -1.085 -0.099) 1.538 52.639 ( -0.304 0.304 0.474) 0.640 52.696 ( 1.561 -1.561 -4.022) 4.588 62.248 ( 0.086 -0.086 0.345) 0.366 62.323 ( -0.531 0.531 -1.583) 1.753======================= Grid point 107 (54/165) =======================q-point: ( 0.44 -0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.277 ( 0.000 3.490 -1.072) 3.651 1.585 ( 0.000 5.777 -0.250) 5.782 2.602 ( 0.000 2.366 3.386) 4.131 4.415 ( 0.000 -2.698 2.864) 3.935 4.461 ( 0.000 -2.073 8.763) 9.005 4.657 ( 0.000 4.028 -2.003) 4.498 4.683 ( -0.000 -1.162 -1.043) 1.561 5.292 ( 0.000 -3.761 7.035) 7.977 5.908 ( -0.000 7.633 -14.938) 16.775 12.488 ( -0.000 -10.437 0.977) 10.483 13.773 ( 0.000 -9.398 8.492) 12.666 14.201 ( 0.000 0.272 0.014) 0.272 25.325 ( 0.000 0.901 -0.159) 0.915 25.612 ( -0.000 -0.181 -0.225) 0.289 26.158 ( 0.000 0.833 -0.195) 0.856 26.560 ( 0.000 0.012 0.002) 0.012 26.737 ( -0.000 -0.190 -0.191) 0.270 51.410 ( -0.000 -0.165 -0.112) 0.199 54.010 ( -0.000 -4.505 -4.569) 6.416 62.223 ( -0.000 0.033 -0.045) 0.056 62.283 ( 0.000 0.282 0.028) 0.283======================= Grid point 108 (55/165) =======================q-point: (-0.06 -0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.296 ( -0.000 0.000 -15.533) 15.533 0.296 ( -0.000 0.000 -15.533) 15.533 0.635 ( -0.000 0.000 -32.593) 32.593 4.389 ( 0.000 -0.000 1.067) 1.067 4.389 ( 0.000 -0.000 1.067) 1.067 4.520 ( -0.000 0.000 -2.518) 2.518 4.520 ( -0.000 0.000 -2.518) 2.518 5.704 ( 0.000 -0.000 4.384) 4.384 6.236 ( -0.000 0.000 -4.369) 4.369 13.701 ( -0.000 0.000 -0.392) 0.392 14.162 ( 0.000 -0.000 10.577) 10.577 14.162 ( 0.000 -0.000 10.577) 10.577 25.154 ( -0.000 0.000 -1.127) 1.127 25.717 ( 0.000 -0.000 0.572) 0.572 26.114 ( -0.000 0.000 -0.885) 0.885 26.700 ( -0.000 0.000 -0.038) 0.038 26.700 ( -0.000 0.000 -0.038) 0.038 52.674 ( 0.000 -0.000 0.123) 0.123 52.674 ( 0.000 -0.000 0.123) 0.123 62.130 ( 0.000 -0.000 0.114) 0.114 62.302 ( -0.000 0.000 -0.243) 0.243======================= Grid point 110 (56/165) =======================q-point: (-0.56 -0.06 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( 11.616 1.570 -3.672) 12.283 1.737 ( 3.742 5.559 -5.274) 8.528 2.558 ( -2.325 -4.251 1.050) 4.957 4.200 ( -9.573 -2.662 1.819) 10.101 4.377 ( -10.606 1.618 3.225) 11.203 4.641 ( 6.298 -1.499 6.407) 9.108 4.859 ( 4.631 0.218 5.380) 7.101 5.295 ( 5.257 -1.469 -1.692) 5.714 6.075 ( -3.012 11.728 -16.034) 20.092 12.366 ( 4.843 -6.693 13.387) 15.731 13.480 ( -1.639 -17.313 13.480) 22.004 14.207 ( 4.390 -4.089 -0.237) 6.004 25.341 ( 0.239 0.471 -0.897) 1.041 25.604 ( -0.978 0.425 -0.062) 1.069 26.177 ( -0.063 1.109 -0.903) 1.431 26.577 ( 0.294 1.416 0.012) 1.446 26.719 ( -1.364 -0.285 -0.002) 1.394 51.643 ( 11.809 11.490 0.128) 16.477 53.698 ( -13.195 -13.197 -0.424) 18.667 62.235 ( 1.717 -0.840 0.003) 1.911 62.286 ( -0.358 0.489 -0.126) 0.619======================= Grid point 111 (57/165) =======================q-point: (-0.56 -0.06 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( 8.986 -1.527 -5.393) 10.591 1.926 ( 9.483 -0.465 -7.058) 11.830 2.383 ( -4.157 -5.015 -1.057) 6.599 4.016 ( -5.967 0.522 -0.085) 5.991 4.231 ( -9.369 4.918 2.902) 10.972 4.742 ( 8.309 -4.019 8.725) 12.701 4.878 ( -3.833 2.489 13.755) 14.494 5.377 ( 7.202 -4.269 -10.813) 13.675 6.208 ( -7.694 11.717 -15.844) 21.155 12.398 ( 6.251 -2.867 28.369) 29.191 13.138 ( 5.140 -17.638 8.538) 20.259 14.212 ( 7.008 -6.876 -0.387) 9.826 25.350 ( 0.184 0.051 -1.273) 1.288 25.595 ( -1.322 1.022 0.022) 1.671 26.194 ( -0.411 0.912 -1.301) 1.641 26.621 ( 0.384 2.232 0.070) 2.266 26.677 ( -2.196 -0.353 0.109) 2.227 52.261 ( 19.090 19.186 0.667) 27.074 53.040 ( -20.096 -19.130 1.132) 27.769 62.243 ( 1.204 -1.205 0.130) 1.708 62.294 ( -0.016 0.531 0.194) 0.566======================= Grid point 112 (58/165) =======================q-point: (-0.06 -0.06 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( 8.945 8.945 -11.243) 16.924 1.267 ( 14.088 14.088 -3.614) 20.249 1.673 ( 15.814 15.814 -4.740) 22.861 4.026 ( -6.677 -6.677 -0.446) 9.454 4.315 ( -5.355 -5.355 -9.768) 12.360 4.322 ( -4.415 -4.415 -1.044) 6.331 4.889 ( 1.249 1.249 -3.688) 4.090 5.870 ( 2.617 2.617 5.621) 6.729 5.882 ( 3.306 3.306 4.310) 6.359 13.366 ( -18.129 -18.129 0.436) 25.642 14.032 ( 7.333 7.333 -0.063) 10.371 14.229 ( 1.516 1.516 9.260) 9.505 25.227 ( 1.507 1.507 -0.798) 2.276 25.649 ( -1.561 -1.561 0.348) 2.235 26.098 ( 0.703 0.703 -0.700) 1.216 26.671 ( -0.743 -0.743 0.106) 1.056 26.704 ( -1.337 -1.337 0.490) 1.954 52.647 ( -0.471 -0.471 0.204) 0.697 53.462 ( -12.056 -12.056 12.515) 21.150 62.249 ( -0.351 -0.351 0.028) 0.497 62.416 ( 3.540 3.540 3.771) 6.267======================= Grid point 113 (59/165) =======================q-point: (-0.06 -0.06 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( 9.717 9.717 -7.306) 15.563 1.766 ( 11.192 11.192 -1.957) 15.948 2.189 ( 10.444 10.444 -0.787) 14.791 3.795 ( -4.821 -4.821 -1.015) 6.893 4.063 ( -7.330 -7.330 -12.428) 16.184 4.140 ( -4.635 -4.635 -0.267) 6.561 4.913 ( 0.251 0.251 -3.907) 3.924 5.952 ( 1.524 1.524 6.578) 6.922 6.079 ( 6.051 6.051 6.625) 10.823 12.622 ( -18.830 -18.830 -6.895) 27.508 14.282 ( 2.095 2.095 8.583) 9.080 14.336 ( 6.794 6.794 0.296) 9.613 25.284 ( 1.292 1.292 -0.667) 1.945 25.584 ( -1.621 -1.621 0.197) 2.300 26.131 ( 0.927 0.927 -0.057) 1.313 26.637 ( -0.928 -0.928 0.125) 1.319 26.646 ( -1.525 -1.525 0.119) 2.160 52.633 ( -0.224 -0.224 0.075) 0.325 53.020 ( -9.271 -9.271 4.291) 13.795 62.234 ( -0.337 -0.337 -0.063) 0.481 62.466 ( -0.903 -0.903 2.290) 2.621======================= Grid point 116 (60/165) =======================q-point: (-0.06 -0.06 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 7.897 7.897 -4.465) 12.028 2.111 ( 6.229 6.229 -0.997) 8.865 2.481 ( 4.599 4.599 2.477) 6.960 3.661 ( -2.097 -2.097 -0.970) 3.120 3.781 ( -6.358 -6.358 -15.315) 17.760 3.984 ( -3.047 -3.047 0.430) 4.331 4.918 ( 0.082 0.082 -3.667) 3.669 5.991 ( 0.557 0.557 7.019) 7.063 6.297 ( 4.502 4.502 6.955) 9.429 11.999 ( -12.010 -12.010 -11.733) 20.643 14.335 ( 0.942 0.942 9.089) 9.186 14.573 ( 4.574 4.574 -0.056) 6.469 25.323 ( 0.698 0.698 -0.554) 1.132 25.531 ( -1.026 -1.026 0.103) 1.455 26.164 ( 0.661 0.661 0.275) 0.974 26.595 ( -0.998 -0.998 -0.051) 1.412 26.605 ( -0.673 -0.673 0.065) 0.954 52.629 ( -0.014 -0.014 -0.167) 0.168 52.773 ( -3.619 -3.619 1.267) 5.273 62.224 ( -0.197 -0.197 -0.152) 0.317 62.386 ( -2.433 -2.433 0.881) 3.553======================= Grid point 117 (61/165) =======================q-point: (-0.06 -0.06 -0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 0.000 0.000 -3.130) 3.130 2.235 ( 0.000 0.000 -0.711) 0.711 2.563 ( 0.000 0.000 4.509) 4.509 3.623 ( 0.000 0.000 -0.816) 0.816 3.642 ( 0.000 0.000 -17.648) 17.648 3.922 ( 0.000 0.000 0.767) 0.767 4.920 ( 0.000 0.000 -3.642) 3.642 6.001 ( 0.000 0.000 7.082) 7.082 6.390 ( 0.000 0.000 7.046) 7.046 11.756 ( 0.000 0.000 -13.288) 13.288 14.353 ( 0.000 0.000 9.186) 9.186 14.665 ( 0.000 0.000 0.005) 0.005 25.337 ( 0.000 0.000 -0.491) 0.491 25.510 ( 0.000 0.000 0.073) 0.073 26.177 ( 0.000 0.000 0.357) 0.357 26.575 ( 0.000 0.000 -0.104) 0.104 26.591 ( 0.000 0.000 0.025) 0.025 52.629 ( 0.000 0.000 -0.292) 0.292 52.708 ( 0.000 0.000 0.393) 0.393 62.219 ( 0.000 0.000 -0.138) 0.138 62.331 ( 0.000 0.000 0.284) 0.284======================= Grid point 123 (62/165) =======================q-point: ( 0.44 -0.06 -0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( -6.506 8.305 6.853) 12.580 1.649 ( -3.914 14.768 6.768) 16.710 2.220 ( -12.086 0.267 6.503) 13.727 3.991 ( 1.036 -9.174 1.055) 9.292 4.268 ( 4.850 -7.223 0.504) 8.715 4.799 ( 1.641 1.685 16.438) 16.605 5.023 ( -3.109 7.101 -1.727) 7.941 5.483 ( 1.260 0.350 -12.417) 12.486 5.776 ( 3.317 -2.863 0.799) 4.454 13.069 ( 12.083 1.525 -2.116) 12.362 13.637 ( -6.282 -4.112 -19.685) 21.069 14.197 ( -7.197 7.178 0.358) 10.171 25.301 ( -1.159 0.947 1.277) 1.967 25.603 ( 1.249 -1.504 -0.403) 1.996 26.143 ( -0.043 -0.007 1.142) 1.143 26.626 ( 2.329 0.517 -0.143) 2.390 26.685 ( -0.240 -2.365 -0.337) 2.401 52.308 ( 20.667 19.732 -1.557) 28.617 53.196 ( -16.697 -24.188 -7.332) 30.292 62.245 ( 0.160 0.066 0.181) 0.250 62.328 ( -0.802 2.666 -2.053) 3.459======================= Grid point 128 (63/165) =======================q-point: ( 0.32 -0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( 0.000 7.990 1.185) 8.077 1.377 ( 0.000 10.027 5.811) 11.589 2.361 ( 0.000 12.389 6.398) 13.943 4.332 ( 0.000 -3.385 9.486) 10.072 4.414 ( 0.000 -2.650 2.613) 3.722 4.593 ( 0.000 4.683 -0.612) 4.723 4.727 ( -0.000 -1.710 -0.607) 1.814 5.281 ( 0.000 -5.740 4.048) 7.024 6.042 ( -0.000 6.016 -12.040) 13.459 12.855 ( -0.000 -20.392 -6.007) 21.258 13.825 ( -0.000 -9.161 4.220) 10.086 14.148 ( 0.000 4.807 0.236) 4.812 25.293 ( 0.000 1.941 0.447) 1.992 25.630 ( -0.000 -0.891 -0.477) 1.011 26.137 ( 0.000 1.118 0.380) 1.181 26.574 ( -0.000 -1.384 0.015) 1.385 26.748 ( -0.000 -0.223 -0.447) 0.500 51.535 ( -0.000 -11.865 -0.260) 11.868 54.202 ( -0.000 0.745 -11.392) 11.416 62.216 ( 0.000 0.703 -0.046) 0.705 62.278 ( -0.000 0.217 -0.235) 0.320======================= Grid point 129 (64/165) =======================q-point: (-0.18 -0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( -0.000 -6.375 -12.897) 14.387 0.803 ( -0.000 -15.840 -12.203) 19.995 1.309 ( -0.000 -9.956 -25.554) 27.425 4.371 ( 0.000 -1.207 2.028) 2.360 4.468 ( -0.000 -7.785 4.221) 8.856 4.570 ( -0.000 0.927 -3.999) 4.105 4.578 ( -0.000 1.048 -4.640) 4.757 5.607 ( 0.000 -1.912 8.029) 8.254 6.195 ( -0.000 13.758 -11.028) 17.632 13.752 ( 0.000 -2.633 1.888) 3.240 13.793 ( 0.000 5.955 16.964) 17.979 13.889 ( 0.000 -2.147 18.389) 18.514 25.194 ( -0.000 -0.918 -1.981) 2.183 25.694 ( 0.000 0.776 0.877) 1.171 26.126 ( -0.000 0.839 -1.984) 2.154 26.688 ( 0.000 1.294 -0.055) 1.296 26.720 ( -0.000 -1.435 0.677) 1.587 52.549 ( 0.000 12.061 0.246) 12.064 53.102 ( -0.000 -34.884 16.376) 38.537 62.139 ( -0.000 -1.162 0.158) 1.173 62.295 ( 0.000 1.129 -0.480) 1.227======================= Grid point 131 (65/165) =======================q-point: ( 0.32 -0.08 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( 12.435 5.415 -1.247) 13.620 1.616 ( 2.923 11.224 0.583) 11.613 2.511 ( -0.877 3.680 4.125) 5.597 4.210 ( -6.042 -2.757 3.876) 7.690 4.274 ( -9.543 -0.706 4.939) 10.769 4.509 ( -7.379 3.132 4.643) 9.264 4.788 ( 4.122 -4.149 5.801) 8.237 5.376 ( 13.490 -0.484 -4.309) 14.170 6.165 ( -2.254 8.721 -13.445) 16.184 12.439 ( -2.646 -18.591 5.728) 19.633 13.609 ( 4.502 -16.474 7.201) 18.534 14.246 ( 4.436 0.479 0.018) 4.462 25.331 ( 0.213 1.557 -0.130) 1.577 25.606 ( -1.102 -0.295 -0.294) 1.178 26.163 ( 0.060 1.460 -0.296) 1.491 26.563 ( 0.314 -0.020 0.004) 0.314 26.727 ( -1.443 -0.338 -0.238) 1.501 51.532 ( 11.887 -0.479 -0.153) 11.898 53.965 ( -15.314 -7.562 -5.736) 18.017 62.239 ( 1.086 0.299 0.249) 1.153 62.290 ( 0.916 -0.600 -0.551) 1.226======================= Grid point 132 (66/165) =======================q-point: ( 0.32 -0.08 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 804Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( 10.529 2.405 -3.050) 11.222 1.921 ( 7.800 9.418 -2.137) 12.414 2.468 ( -2.866 -4.173 1.757) 5.358 4.022 ( -7.957 -0.857 0.255) 8.007 4.094 ( -8.570 1.335 4.836) 9.930 4.455 ( -7.944 6.372 12.090) 15.808 4.770 ( 4.872 -5.754 6.477) 9.940 5.625 ( 12.129 -1.947 -8.797) 15.109 6.280 ( -5.183 9.984 -13.457) 17.540 12.079 ( -1.714 -12.572 20.076) 23.749 13.403 ( 12.003 -20.152 2.896) 23.634 14.326 ( 7.040 -3.965 -0.161) 8.081 25.358 ( 0.005 0.946 -0.497) 1.068 25.581 ( -1.548 0.498 -0.161) 1.634 26.191 ( -0.183 1.340 -0.731) 1.538 26.584 ( 0.367 1.387 0.039) 1.435 26.683 ( -2.300 -0.362 -0.043) 2.328 51.951 ( 19.070 11.232 0.055) 22.132 53.383 ( -20.868 -14.579 -1.845) 25.523 62.267 ( 0.913 0.344 0.654) 1.175 62.279 ( -0.079 -1.131 -0.592) 1.279======================= Grid point 134 (67/165) =======================q-point: (-0.18 -0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( 8.815 6.874 -9.602) 14.736 1.540 ( 6.357 17.425 -4.545) 19.097 2.100 ( 15.613 3.649 -5.569) 16.973 3.971 ( -1.004 -10.689 -0.938) 10.777 4.250 ( -4.807 -5.597 -1.290) 7.490 4.478 ( -4.130 -3.917 -16.361) 17.323 4.982 ( -0.477 2.969 -4.803) 5.666 5.674 ( -2.940 8.473 8.502) 12.358 5.884 ( 5.357 -1.683 9.241) 10.813 13.045 ( -17.062 -10.598 -3.291) 20.353 13.979 ( -0.131 2.819 15.257) 15.516 14.191 ( 7.223 7.232 -0.167) 10.223 25.278 ( 1.592 1.063 -1.098) 2.207 25.611 ( -1.376 -1.644 0.428) 2.186 26.126 ( 0.644 0.327 -0.718) 1.018 26.628 ( -2.429 0.600 0.151) 2.507 26.692 ( 0.152 -2.554 0.383) 2.587 52.336 ( -21.251 19.861 1.336) 29.118 53.357 ( 13.766 -28.286 9.131) 32.757 62.241 ( -0.389 -0.059 -0.159) 0.424 62.379 ( 0.300 3.588 3.155) 4.787======================= Grid point 135 (68/165) =======================q-point: (-0.68 -0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 445Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 2.072 -2.072 -4.522) 5.388 2.229 ( 6.028 -6.028 -5.355) 10.067 2.268 ( -2.106 2.106 3.685) 4.738 3.927 ( -3.962 3.962 1.140) 5.718 4.019 ( -4.532 4.532 3.319) 7.217 4.441 ( -8.817 8.817 14.403) 19.051 4.761 ( 6.201 -6.201 6.250) 10.769 5.728 ( 6.712 -6.712 -10.092) 13.854 6.331 ( -8.349 8.349 -13.157) 17.678 11.932 ( 4.311 -4.311 26.240) 26.939 13.320 ( 18.368 -18.368 0.105) 25.976 14.357 ( 6.847 -6.847 -0.230) 9.685 25.367 ( -0.403 0.403 -0.633) 0.852 25.570 ( -1.244 1.244 -0.118) 1.764 26.203 ( -0.774 0.774 -0.863) 1.393 26.622 ( -0.980 0.980 0.047) 1.387 26.635 ( -0.942 0.942 0.061) 1.334 52.623 ( -0.035 0.035 0.289) 0.293 52.664 ( 0.547 -0.547 -0.702) 1.045 62.263 ( 0.458 -0.458 -0.437) 0.782 62.280 ( -0.127 0.127 0.816) 0.835======================= Grid point 137 (69/165) =======================q-point: (-0.18 -0.08 0.48)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( 8.582 6.888 -6.695) 12.881 1.955 ( 4.625 13.306 -1.865) 14.209 2.379 ( 7.305 1.728 -0.147) 7.508 3.781 ( 0.042 -7.574 -1.586) 7.738 4.056 ( -3.913 -5.080 0.064) 6.413 4.279 ( -4.317 -6.578 -21.437) 22.836 4.999 ( -1.612 1.969 -6.464) 6.946 5.779 ( 0.881 2.619 12.854) 13.147 6.018 ( 4.709 4.419 11.079) 12.823 12.512 ( -14.557 -10.492 -16.027) 24.059 14.022 ( -2.966 4.579 15.753) 16.671 14.456 ( 4.621 7.206 -0.115) 8.561 25.323 ( 1.098 0.747 -0.796) 1.548 25.555 ( -0.947 -1.640 0.218) 1.906 26.149 ( 0.846 0.409 0.093) 0.945 26.596 ( -1.672 0.313 0.049) 1.702 26.642 ( 0.016 -2.551 0.132) 2.555 52.373 ( -13.268 18.805 0.592) 23.022 53.065 ( 8.682 -23.208 3.150) 24.978 62.234 ( 0.082 -0.339 -0.303) 0.462 62.386 ( -2.373 -0.096 1.976) 3.089======================= Grid point 138 (70/165) =======================q-point: (-0.18 -0.08 0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 4.418 3.383 -4.006) 6.856 2.212 ( 2.434 5.239 -1.454) 5.957 2.460 ( -0.494 0.808 3.684) 3.804 3.682 ( 1.461 -4.053 -1.487) 4.558 3.926 ( -1.266 -2.436 0.854) 2.875 4.114 ( -0.179 -4.681 -24.197) 24.646 5.005 ( -1.725 1.937 -7.086) 7.546 5.817 ( 1.925 -1.120 13.786) 13.964 6.165 ( 0.900 3.601 11.741) 12.314 12.151 ( -6.431 -3.811 -22.884) 24.074 14.042 ( -4.877 5.366 16.310) 17.849 14.621 ( 0.159 4.377 0.007) 4.380 25.347 ( 0.439 0.174 -0.624) 0.783 25.518 ( -0.045 -0.972 0.118) 0.980 26.168 ( 0.541 0.054 0.499) 0.738 26.581 ( -0.128 -0.023 -0.105) 0.167 26.601 ( -0.040 -1.394 0.032) 1.395 52.543 ( -0.474 11.559 -0.095) 11.569 52.796 ( -0.965 -12.091 0.716) 12.150 62.229 ( 0.269 -0.563 -0.244) 0.670 62.331 ( -1.508 -0.486 0.543) 1.675======================= Grid point 144 (71/165) =======================q-point: ( 0.32 -0.08 -0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 447Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( -7.522 7.522 11.339) 15.548 1.364 ( -12.748 12.748 6.411) 19.134 1.813 ( -11.922 11.922 9.786) 19.495 4.037 ( 6.058 -6.058 0.668) 8.594 4.347 ( 5.039 -5.039 1.534) 7.289 4.545 ( 2.457 -2.457 13.510) 13.950 4.952 ( -3.967 3.967 1.549) 5.820 5.716 ( -1.844 1.844 -10.412) 10.733 5.819 ( 1.818 -1.818 -0.538) 2.627 13.340 ( 12.687 -12.687 -2.631) 18.135 13.951 ( -2.365 2.365 -17.078) 17.402 14.049 ( -6.879 6.879 -1.027) 9.782 25.249 ( -1.359 1.359 1.394) 2.374 25.640 ( 1.449 -1.449 -0.555) 2.124 26.117 ( -0.246 0.246 1.266) 1.313 26.668 ( 0.788 -0.788 -0.165) 1.126 26.694 ( 1.067 -1.067 -0.578) 1.617 52.642 ( 0.439 -0.439 -0.271) 0.678 53.186 ( 5.671 -5.671 -14.991) 17.002 62.249 ( 0.256 -0.256 0.004) 0.362 62.341 ( -3.497 3.497 -3.485) 6.050======================= Grid point 148 (72/165) =======================q-point: ( 0.21 -0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.930 ( 0.000 12.125 2.260) 12.334 0.993 ( 0.000 13.434 9.520) 16.465 1.904 ( 0.000 22.361 5.206) 22.959 4.263 ( 0.000 -5.428 6.150) 8.203 4.423 ( 0.000 -2.461 1.573) 2.920 4.514 ( 0.000 3.942 -0.144) 3.945 4.768 ( -0.000 -1.245 -0.614) 1.388 5.347 ( -0.000 -7.014 2.610) 7.484 6.102 ( -0.000 5.957 -6.201) 8.599 13.417 ( -0.000 -22.829 -6.280) 23.677 13.978 ( -0.000 -9.119 -0.927) 9.166 14.018 ( 0.000 7.549 0.266) 7.553 25.239 ( 0.000 2.414 0.556) 2.478 25.661 ( -0.000 -1.356 -0.432) 1.424 26.103 ( 0.000 1.207 0.630) 1.361 26.609 ( -0.000 -2.189 0.018) 2.189 26.761 ( -0.000 -0.177 -0.499) 0.529 51.851 ( -0.000 -19.134 -0.182) 19.135 54.403 ( -0.000 3.816 -14.317) 14.817 62.198 ( 0.000 1.279 -0.043) 1.280 62.287 ( -0.000 -0.061 -0.836) 0.838======================= Grid point 149 (73/165) =======================q-point: (-0.29 -0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( -0.000 -5.115 -10.131) 11.349 1.283 ( -0.000 -9.397 -11.617) 14.942 1.940 ( -0.000 -13.089 -16.085) 20.738 4.359 ( 0.000 -2.351 2.794) 3.651 4.511 ( 0.000 -5.439 4.788) 7.246 4.624 ( -0.000 1.862 -4.262) 4.651 4.651 ( -0.000 1.905 -5.923) 6.222 5.477 ( 0.000 -2.716 10.035) 10.396 6.135 ( -0.000 15.618 -12.735) 20.152 13.183 ( 0.000 10.074 23.443) 25.516 13.621 ( 0.000 -9.215 20.124) 22.134 13.889 ( -0.000 -7.198 -0.677) 7.230 25.256 ( -0.000 -1.099 -2.200) 2.459 25.660 ( 0.000 1.059 0.757) 1.302 26.152 ( -0.000 0.562 -1.972) 2.051 26.654 ( 0.000 2.155 -0.044) 2.155 26.729 ( 0.000 -0.704 0.557) 0.897 52.227 ( 0.000 19.339 0.338) 19.342 53.382 ( -0.000 -24.405 13.254) 27.772 62.166 ( -0.000 -1.662 0.087) 1.664 62.286 ( -0.000 0.871 -0.760) 1.156======================= Grid point 150 (74/165) =======================q-point: (-0.29 -0.09 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( 7.384 -7.384 -11.030) 15.189 1.086 ( 9.439 -9.439 -11.880) 17.869 1.802 ( 3.930 -3.930 -20.627) 21.363 4.232 ( -3.825 3.825 1.739) 5.682 4.540 ( 9.718 -9.718 6.176) 15.067 4.590 ( -4.672 4.672 -4.042) 7.745 4.732 ( 1.807 -1.807 -8.082) 8.476 5.438 ( 1.683 -1.683 11.413) 11.659 6.311 ( -10.333 10.333 -13.172) 19.673 13.371 ( -1.501 1.501 22.430) 22.530 13.434 ( 1.891 -1.891 27.952) 28.080 13.817 ( 4.484 -4.484 -0.700) 6.380 25.245 ( 0.635 -0.635 -2.499) 2.655 25.670 ( -0.739 0.739 0.820) 1.329 26.159 ( -0.488 0.488 -2.101) 2.212 26.692 ( -0.501 0.501 0.018) 0.709 26.704 ( -0.109 0.109 0.372) 0.403 52.656 ( -0.460 0.460 0.271) 0.705 52.859 ( 6.026 -6.026 9.545) 12.796 62.158 ( 2.015 -2.015 0.547) 2.901 62.298 ( -0.809 0.809 -0.815) 1.405======================= Grid point 151 (75/165) =======================q-point: ( 0.21 -0.09 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( 8.327 12.614 2.218) 15.276 1.307 ( 8.518 11.115 3.021) 14.326 2.272 ( 1.251 13.294 3.342) 13.765 4.142 ( -3.237 -3.775 6.470) 8.160 4.276 ( -10.057 -1.752 -0.341) 10.214 4.377 ( -14.030 2.723 2.952) 14.594 4.779 ( 3.846 -3.869 3.600) 6.536 5.470 ( 17.177 -1.779 -3.127) 17.549 6.211 ( -1.842 7.219 -7.137) 10.317 12.813 ( -11.471 -24.698 0.997) 27.251 13.849 ( 9.986 -14.684 0.179) 17.759 14.189 ( 4.503 4.935 0.153) 6.682 25.290 ( 0.301 2.313 0.268) 2.348 25.625 ( -1.223 -1.002 -0.287) 1.607 26.134 ( 0.245 1.621 0.114) 1.643 26.578 ( 0.452 -1.479 -0.008) 1.547 26.739 ( -1.592 -0.328 -0.271) 1.648 51.667 ( 12.655 -12.659 -0.242) 17.902 54.180 ( -20.960 -1.433 -6.852) 22.098 62.228 ( 0.574 0.157 0.130) 0.609 62.323 ( 3.724 -1.009 -1.013) 3.989======================= Grid point 152 (76/165) =======================q-point: ( 0.21 -0.09 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 3.620 13.478 1.594) 14.047 1.747 ( 15.552 6.172 -0.209) 16.733 2.454 ( 0.940 3.192 1.259) 3.558 3.970 ( -9.824 -1.238 5.423) 11.290 4.064 ( -6.952 -0.892 -0.089) 7.010 4.168 ( -12.904 3.625 6.216) 14.774 4.777 ( 4.431 -4.512 3.490) 7.223 5.784 ( 15.012 -0.487 -5.292) 15.925 6.309 ( -3.397 7.901 -7.419) 11.358 12.128 ( -10.819 -20.612 9.345) 25.084 13.778 ( 15.736 -18.505 -1.445) 24.334 14.362 ( 7.143 0.552 0.019) 7.164 25.334 ( 0.079 1.753 0.068) 1.757 25.582 ( -1.769 -0.260 -0.162) 1.796 26.171 ( 0.160 1.600 -0.251) 1.628 26.570 ( 0.393 -0.131 0.008) 0.415 26.692 ( -2.471 -0.357 -0.109) 2.499 51.847 ( 19.168 -1.015 -0.090) 19.195 53.642 ( -24.855 -6.575 -2.732) 25.855 62.240 ( -0.056 0.693 0.353) 0.780 62.337 ( 1.590 -2.981 -0.804) 3.473======================= Grid point 155 (77/165) =======================q-point: ( 0.21 -0.09 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 0.725 7.277 -1.218) 7.414 2.101 ( 8.846 4.065 1.801) 9.900 2.445 ( 1.405 -5.153 -2.016) 5.709 3.778 ( -8.412 1.956 6.180) 10.620 3.963 ( -3.371 0.601 0.130) 3.426 4.046 ( -11.154 8.145 7.185) 15.568 4.776 ( 4.680 -4.708 3.323) 7.424 5.984 ( 8.256 -2.869 -6.221) 10.728 6.377 ( -4.597 6.643 -7.103) 10.757 11.684 ( -1.846 -10.516 13.885) 17.515 13.741 ( 19.104 -20.075 -2.758) 27.849 14.469 ( 6.941 -3.988 -0.069) 8.005 25.359 ( -0.430 1.068 -0.067) 1.153 25.553 ( -1.513 0.697 -0.102) 1.669 26.197 ( -0.361 1.089 -0.395) 1.213 26.589 ( 0.246 1.370 0.038) 1.392 26.636 ( -2.349 -0.300 0.001) 2.368 52.338 ( 19.367 11.385 -0.062) 22.465 52.992 ( -20.506 -13.927 -0.778) 24.800 62.249 ( -0.777 0.962 0.331) 1.280 62.300 ( 0.620 -2.047 -0.262) 2.155======================= Grid point 157 (78/165) =======================q-point: (-0.29 -0.09 0.49)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 6.668 8.236 -4.048) 11.344 1.692 ( 1.190 15.631 -3.650) 16.096 2.431 ( 8.498 -2.273 -3.532) 9.479 3.997 ( 1.357 -11.581 -0.810) 11.688 4.187 ( -3.413 -8.024 -0.646) 8.743 4.752 ( -2.698 0.698 -18.520) 18.728 5.042 ( -0.891 5.683 -2.707) 6.358 5.448 ( -1.477 3.118 10.548) 11.098 5.776 ( 2.514 -0.173 8.723) 9.080 12.828 ( -12.037 2.966 -3.653) 12.924 13.717 ( 1.185 -4.777 11.364) 12.384 14.315 ( 4.535 7.161 -0.192) 8.479 25.322 ( 0.985 0.786 -0.718) 1.451 25.583 ( -0.791 -1.633 0.275) 1.835 26.147 ( 0.391 0.068 -0.457) 0.605 26.587 ( -1.513 0.473 0.055) 1.587 26.688 ( 0.025 -2.353 0.242) 2.366 51.973 ( -12.603 19.464 0.663) 23.198 53.450 ( 8.542 -23.011 5.167) 25.083 62.247 ( 0.433 -0.046 -0.481) 0.649 62.325 ( -0.983 2.095 1.654) 2.844======================= Grid point 158 (79/165) =======================q-point: (-0.29 -0.09 0.59)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( 3.305 6.030 -1.893) 7.132 2.036 ( 2.555 13.973 -0.051) 14.205 2.458 ( 0.355 -3.707 -0.078) 3.725 3.828 ( 1.606 -8.273 -0.877) 8.473 3.997 ( -1.360 -6.039 0.062) 6.191 4.669 ( -1.029 -3.679 -23.788) 24.093 5.092 ( -2.771 4.406 -7.572) 9.188 5.511 ( 1.862 0.983 18.106) 18.228 5.869 ( 2.872 2.564 11.248) 11.889 12.663 ( -7.305 0.194 -21.811) 23.003 13.635 ( -4.296 0.394 15.785) 16.364 14.505 ( 0.158 7.099 0.010) 7.101 25.349 ( 0.416 0.541 -0.297) 0.744 25.541 ( -0.060 -1.577 0.115) 1.582 26.159 ( 0.582 0.023 0.321) 0.665 26.578 ( -0.075 0.319 -0.028) 0.329 26.639 ( -0.080 -2.372 0.046) 2.373 52.231 ( -0.484 19.267 0.039) 19.273 53.098 ( -1.230 -19.808 1.363) 19.893 62.249 ( 0.512 -0.848 -0.328) 1.043 62.320 ( -1.426 0.567 0.646) 1.665======================= Grid point 161 (80/165) =======================q-point: ( 0.71 -0.09 -0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( -2.269 2.269 -0.165) 3.213 2.296 ( 0.340 -0.340 -2.781) 2.822 2.325 ( -3.689 3.689 4.321) 6.774 3.759 ( 4.130 -4.130 -0.336) 5.851 3.921 ( 2.310 -2.310 -0.082) 3.267 4.618 ( 2.519 -2.519 -24.852) 25.106 5.109 ( -3.761 3.761 -8.839) 10.316 5.538 ( 1.850 -1.850 19.438) 19.613 5.930 ( -0.523 0.523 11.944) 11.967 12.587 ( -1.641 1.641 -29.557) 29.648 13.593 ( -5.016 5.016 18.624) 19.929 14.579 ( -4.294 4.294 0.089) 6.073 25.359 ( -0.116 0.116 -0.172) 0.238 25.525 ( 0.877 -0.877 0.069) 1.243 26.166 ( 0.317 -0.317 0.620) 0.765 26.593 ( 0.583 -0.583 -0.178) 0.844 26.602 ( 0.689 -0.689 0.066) 0.976 52.641 ( -0.318 0.318 -0.879) 0.988 52.671 ( -0.517 0.517 0.846) 1.118 62.241 ( 0.613 -0.613 0.017) 0.867 62.312 ( -0.327 0.327 -0.329) 0.567======================= Grid point 168 (81/165) =======================q-point: ( 0.10 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.577 ( 0.000 15.591 0.000) 15.591 0.632 ( 0.000 15.118 0.000) 15.118 1.330 ( 0.000 30.243 0.000) 30.243 4.322 ( -0.000 -6.555 -0.000) 6.555 4.449 ( 0.000 2.691 0.000) 2.691 4.453 ( -0.000 -2.062 -0.000) 2.062 4.797 ( -0.000 -0.318 -0.000) 0.318 5.448 ( -0.000 -7.247 -0.000) 7.247 6.041 ( 0.000 6.366 0.000) 6.366 13.864 ( 0.000 7.463 0.000) 7.463 13.893 ( -0.000 -18.139 -0.000) 18.139 14.156 ( -0.000 -6.259 -0.000) 6.259 25.187 ( 0.000 2.095 0.000) 2.095 25.693 ( -0.000 -1.333 -0.000) 1.333 26.073 ( 0.000 0.999 0.000) 0.999 26.653 ( -0.000 -2.127 -0.000) 2.127 26.771 ( -0.000 -0.199 -0.000) 0.199 52.239 ( -0.000 -19.261 -0.000) 19.261 54.546 ( 0.000 1.429 0.000) 1.429 62.170 ( 0.000 1.540 0.000) 1.540 62.301 ( -0.000 -0.071 -0.000) 0.071======================= Grid point 169 (82/165) =======================q-point: (-0.40 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( -0.000 -1.808 -7.246) 7.468 1.593 ( -0.000 -1.571 -9.580) 9.708 2.391 ( -0.000 -10.376 -6.584) 12.288 4.355 ( 0.000 -3.119 3.299) 4.540 4.499 ( 0.000 -3.878 5.943) 7.097 4.650 ( -0.000 1.272 -1.420) 1.907 4.719 ( -0.000 2.905 -5.736) 6.430 5.344 ( 0.000 -2.687 9.140) 9.527 6.085 ( -0.000 15.709 -14.770) 21.562 12.600 ( 0.000 4.548 20.307) 20.811 13.500 ( 0.000 -16.059 18.881) 24.787 14.044 ( -0.000 -7.013 -0.517) 7.032 25.311 ( -0.000 -0.515 -1.790) 1.863 25.629 ( 0.000 0.882 0.360) 0.953 26.173 ( -0.000 0.771 -1.539) 1.721 26.611 ( 0.000 2.229 -0.022) 2.229 26.730 ( 0.000 -0.345 0.316) 0.468 51.834 ( 0.000 19.050 0.276) 19.052 53.592 ( -0.000 -17.972 7.140) 19.338 62.196 ( -0.000 -1.369 -0.020) 1.369 62.288 ( -0.000 0.473 -0.725) 0.866======================= Grid point 170 (83/165) =======================q-point: (-0.40 -0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( 10.806 -2.211 -9.103) 14.301 1.526 ( 3.637 -9.689 -10.232) 14.553 2.209 ( -0.310 -5.790 -11.560) 12.933 4.166 ( -7.396 0.023 1.660) 7.580 4.535 ( -5.227 3.965 0.246) 6.565 4.581 ( 6.911 -5.910 5.829) 10.801 4.920 ( 8.531 0.311 -8.040) 11.726 5.259 ( -2.155 -2.844 10.552) 11.138 6.329 ( -7.248 14.629 -14.922) 22.118 12.780 ( 8.679 4.984 27.245) 29.025 13.135 ( -3.701 -15.774 24.347) 29.245 13.947 ( 4.390 -7.057 -0.660) 8.337 25.304 ( 0.351 -0.537 -2.331) 2.418 25.640 ( -0.757 0.990 0.462) 1.329 26.186 ( -0.319 0.734 -1.905) 2.067 26.659 ( 0.381 2.177 0.040) 2.210 26.707 ( -1.318 -0.537 0.281) 1.450 52.355 ( 13.076 19.866 1.106) 23.809 53.059 ( -13.596 -20.679 5.853) 25.431 62.187 ( 2.050 -1.883 0.483) 2.825 62.299 ( -0.342 0.763 -0.903) 1.231======================= Grid point 171 (84/165) =======================q-point: ( 0.10 -0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( 3.870 15.818 0.000) 16.285 1.095 ( 16.718 10.989 -0.000) 20.006 1.888 ( 3.447 22.128 0.000) 22.395 4.173 ( -2.825 -6.026 -0.000) 6.655 4.273 ( -18.291 3.052 0.000) 18.544 4.346 ( -5.349 -3.189 0.000) 6.227 4.801 ( 2.626 -2.013 -0.000) 3.309 5.557 ( 17.415 -4.079 -0.000) 17.886 6.144 ( -1.860 6.787 0.000) 7.037 13.294 ( -15.516 -23.872 -0.000) 28.472 14.061 ( 4.529 7.600 0.000) 8.847 14.110 ( 9.655 -10.044 -0.000) 13.932 25.239 ( 0.544 2.415 0.000) 2.475 25.652 ( -1.272 -1.414 0.000) 1.902 26.101 ( 0.412 1.443 0.000) 1.500 26.617 ( 0.716 -2.366 -0.000) 2.472 26.748 ( -1.800 -0.206 0.000) 1.812 52.007 ( 14.804 -20.919 -0.000) 25.627 54.242 ( -28.887 3.378 0.000) 29.084 62.230 ( 1.359 -0.370 -0.000) 1.409 62.354 ( 5.993 -0.512 -0.000) 6.015======================= Grid point 172 (85/165) =======================q-point: ( 0.10 -0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 460Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.324 ( 5.120 15.386 0.000) 16.216 1.619 ( 17.304 7.536 -0.000) 18.874 2.293 ( 3.776 11.879 0.000) 12.465 3.969 ( -7.563 -4.855 0.000) 8.987 3.994 ( -15.866 3.912 0.000) 16.342 4.156 ( -5.870 -3.940 0.000) 7.070 4.814 ( 3.295 -2.782 -0.000) 4.312 5.843 ( 14.842 -0.524 -0.000) 14.851 6.240 ( -1.651 6.689 0.000) 6.889 12.486 ( -16.888 -23.810 0.000) 29.192 14.113 ( 13.113 -12.612 -0.000) 18.194 14.306 ( 7.258 4.942 -0.000) 8.781 25.294 ( 0.448 2.083 0.000) 2.130 25.596 ( -1.876 -1.008 0.000) 2.130 26.141 ( 0.528 1.583 0.000) 1.669 26.589 ( 0.527 -1.695 -0.000) 1.774 26.699 ( -2.663 -0.227 0.000) 2.672 51.998 ( 19.785 -14.070 -0.000) 24.278 53.709 ( -30.715 2.957 0.000) 30.857 62.231 ( -0.009 -0.114 -0.000) 0.114 62.413 ( 3.005 -3.448 -0.000) 4.574======================= Grid point 175 (86/165) =======================q-point: ( 0.10 -0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 3.713 12.617 0.000) 13.152 2.023 ( 11.583 4.117 -0.000) 12.293 2.496 ( 3.620 2.027 -0.000) 4.149 3.705 ( -10.364 -2.696 0.000) 10.709 3.828 ( -11.170 5.961 0.000) 12.661 4.000 ( -3.456 -2.322 0.000) 4.163 4.820 ( 3.279 -3.107 -0.000) 4.517 6.060 ( 5.984 1.051 -0.000) 6.076 6.343 ( 1.072 4.104 0.000) 4.241 11.818 ( -9.426 -16.108 -0.000) 18.663 14.124 ( 15.104 -14.591 -0.000) 21.001 14.505 ( 7.118 0.459 -0.000) 7.133 25.333 ( -0.039 1.436 0.000) 1.436 25.548 ( -1.699 -0.150 0.000) 1.706 26.177 ( 0.176 1.237 0.000) 1.249 26.577 ( 0.240 -0.198 -0.000) 0.311 26.642 ( -2.541 -0.243 0.000) 2.553 52.233 ( 19.077 -1.142 -0.000) 19.111 53.177 ( -23.317 -3.574 0.000) 23.590 62.231 ( -0.419 0.481 0.000) 0.638 62.359 ( -0.234 -3.546 -0.000) 3.554======================= Grid point 176 (87/165) =======================q-point: ( 0.10 -0.10 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( -4.026 4.026 0.000) 5.694 2.186 ( 2.123 -2.123 -0.000) 3.003 2.542 ( 3.611 -3.611 -0.000) 5.106 3.555 ( -4.721 4.721 0.000) 6.676 3.780 ( -8.069 8.069 0.000) 11.411 3.942 ( -0.620 0.620 0.000) 0.877 4.821 ( 3.232 -3.232 -0.000) 4.570 6.123 ( -0.463 0.463 0.000) 0.655 6.403 ( 0.496 -0.496 -0.000) 0.701 11.560 ( 3.320 -3.320 -0.000) 4.696 14.129 ( 15.575 -15.575 -0.000) 22.027 14.582 ( 4.159 -4.159 -0.000) 5.881 25.347 ( -0.710 0.710 0.000) 1.004 25.529 ( -0.894 0.894 0.000) 1.265 26.192 ( -0.531 0.531 0.000) 0.751 26.587 ( -0.666 0.666 0.000) 0.943 26.603 ( -0.603 0.603 0.000) 0.853 52.627 ( -0.013 0.013 0.000) 0.018 52.702 ( 0.479 -0.479 -0.000) 0.677 62.231 ( -0.668 0.668 0.000) 0.945 62.315 ( 0.916 -0.916 -0.000) 1.296======================= Grid point 179 (88/165) =======================q-point: ( 0.60 -0.10 -0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 410Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 0.000 17.349 -0.000) 17.349 1.723 ( 0.000 6.237 -0.000) 6.237 2.548 ( 0.000 -4.119 -0.000) 4.119 4.025 ( 0.000 -11.176 -0.000) 11.176 4.155 ( 0.000 -9.647 -0.000) 9.647 4.997 ( 0.000 6.115 -0.000) 6.115 5.022 ( 0.000 9.361 0.000) 9.361 5.283 ( 0.000 -5.461 -0.000) 5.461 5.708 ( 0.000 0.757 -0.000) 0.757 12.738 ( 0.000 10.510 -0.000) 10.510 13.622 ( 0.000 -10.471 -0.000) 10.471 14.362 ( 0.000 7.122 -0.000) 7.122 25.339 ( -0.000 0.685 -0.000) 0.685 25.572 ( 0.000 -1.620 -0.000) 1.620 26.156 ( 0.000 -0.009 -0.000) 0.009 26.571 ( 0.000 0.427 -0.000) 0.427 26.685 ( 0.000 -2.267 -0.000) 2.267 51.842 ( 0.000 19.264 -0.000) 19.264 53.484 ( 0.000 -20.504 -0.000) 20.504 62.269 ( 0.000 -0.738 -0.000) 0.738 62.286 ( 0.000 2.002 -0.000) 2.002======================= Grid point 183 (89/165) =======================q-point: ( 0.60 -0.10 -0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( -3.582 6.385 2.896) 7.873 2.054 ( 0.980 13.713 3.115) 14.096 2.401 ( -5.488 -4.246 0.341) 6.948 3.847 ( 1.234 -6.726 1.504) 7.002 4.029 ( 3.321 -6.642 -1.274) 7.534 5.085 ( 1.945 1.248 -12.386) 12.600 5.150 ( -2.629 5.984 -0.263) 6.541 5.189 ( 0.628 -4.166 9.249) 10.164 5.751 ( 1.349 0.617 4.351) 4.597 12.996 ( 4.849 10.689 -10.301) 15.616 13.339 ( -7.069 -9.824 -1.676) 12.219 14.462 ( -4.357 7.091 0.162) 8.324 25.348 ( -0.389 0.640 0.420) 0.859 25.548 ( 0.798 -1.495 -0.066) 1.696 26.158 ( 0.185 -0.083 0.607) 0.640 26.593 ( 1.451 0.332 -0.080) 1.491 26.638 ( -0.131 -2.338 -0.074) 2.343 52.348 ( 11.786 19.160 -0.576) 22.502 52.970 ( -11.331 -19.531 -1.204) 22.612 62.249 ( -0.202 -0.588 0.408) 0.743 62.321 ( 0.523 0.575 -1.251) 1.473======================= Grid point 192 (90/165) =======================q-point: (-0.51 -0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -0.000 2.233 -4.278) 4.826 1.701 ( -0.000 5.625 -5.684) 7.997 2.581 ( -0.000 -4.107 1.239) 4.290 4.354 ( 0.000 -3.361 3.494) 4.848 4.425 ( 0.000 -1.668 7.948) 8.121 4.644 ( 0.000 -2.468 2.399) 3.442 4.742 ( -0.000 4.460 -3.977) 5.975 5.247 ( 0.000 -1.399 5.063) 5.253 6.105 ( -0.000 12.526 -16.238) 20.508 12.315 ( 0.000 -7.233 11.151) 13.291 13.499 ( 0.000 -18.335 17.078) 25.056 14.163 ( -0.000 -4.070 -0.243) 4.077 25.339 ( -0.000 0.540 -1.013) 1.148 25.614 ( 0.000 0.367 -0.060) 0.372 26.178 ( -0.000 1.163 -0.907) 1.475 26.574 ( 0.000 1.420 -0.007) 1.420 26.733 ( -0.000 -0.295 -0.010) 0.296 51.524 ( 0.000 11.495 0.049) 11.496 53.832 ( -0.000 -13.432 -0.410) 13.439 62.217 ( -0.000 -0.668 -0.072) 0.672 62.289 ( 0.000 0.430 -0.230) 0.488======================= Grid point 193 (91/165) =======================q-point: (-0.51 -0.11 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 10.331 0.615 -6.358) 12.146 1.805 ( 3.495 0.274 -8.745) 9.421 2.449 ( -2.416 -5.736 -1.756) 6.467 4.154 ( -8.064 -1.924 1.828) 8.490 4.421 ( -7.836 3.099 4.288) 9.454 4.577 ( 6.569 -4.761 5.238) 9.657 4.900 ( 2.637 3.684 4.836) 6.626 5.254 ( 4.233 -2.966 -2.865) 5.910 6.334 ( -4.796 14.450 -15.873) 21.995 12.269 ( 5.881 -3.392 22.618) 23.615 13.087 ( 0.722 -22.150 20.114) 29.929 14.097 ( 4.356 -6.831 -0.442) 8.113 25.347 ( 0.126 0.174 -1.644) 1.658 25.617 ( -0.844 0.819 0.061) 1.178 26.200 ( -0.201 1.140 -1.380) 1.801 26.614 ( 0.297 2.240 0.019) 2.260 26.712 ( -1.343 -0.406 0.115) 1.408 51.950 ( 11.874 19.061 0.373) 22.460 53.375 ( -12.961 -19.256 1.856) 23.286 62.213 ( 1.523 -1.418 0.120) 2.085 62.298 ( -0.264 0.761 -0.432) 0.914======================= Grid point 196 (92/165) =======================q-point: (-0.51 -0.11 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 4.688 -4.688 -7.306) 9.866 1.822 ( 8.223 -8.223 -8.025) 14.130 2.348 ( -1.082 1.082 -4.495) 4.749 4.048 ( -2.899 2.899 0.664) 4.154 4.356 ( -7.839 7.839 2.883) 11.455 4.612 ( 8.135 -8.135 7.493) 13.730 4.961 ( -4.213 4.213 11.773) 13.195 5.270 ( 6.343 -6.343 -10.147) 13.544 6.435 ( -11.012 11.012 -15.451) 21.938 12.338 ( 4.145 -4.145 33.078) 33.594 12.821 ( 13.272 -13.272 14.961) 24.002 14.072 ( 6.957 -6.957 -0.514) 9.852 25.350 ( 0.062 -0.062 -1.858) 1.860 25.616 ( -1.077 1.077 0.100) 1.526 26.210 ( -0.696 0.696 -1.538) 1.825 26.661 ( -0.936 0.936 0.036) 1.324 26.673 ( -0.818 0.818 0.169) 1.169 52.642 ( -0.024 0.024 -0.345) 0.347 52.669 ( -0.663 0.663 3.076) 3.215 62.215 ( 1.724 -1.724 0.434) 2.476 62.304 ( -0.561 0.561 -0.460) 0.918======================= Grid point 205 (93/165) =======================q-point: ( 0.49 -0.11 -0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( -6.794 6.794 6.869) 11.811 1.904 ( -9.080 9.080 4.997) 13.778 2.263 ( -4.936 4.936 2.811) 7.525 3.859 ( 4.374 -4.374 2.033) 6.511 4.141 ( 5.705 -5.705 -0.551) 8.087 4.786 ( 2.679 -2.679 21.698) 22.026 5.109 ( -2.285 2.285 2.688) 4.204 5.489 ( 0.175 -0.175 -16.897) 16.899 5.760 ( -1.397 1.397 -4.477) 4.893 13.011 ( 7.285 -7.285 10.902) 15.000 13.619 ( -1.960 1.960 -25.281) 25.433 14.341 ( -7.182 7.182 0.264) 10.161 25.320 ( -0.995 0.995 1.018) 1.737 25.574 ( 1.428 -1.428 -0.278) 2.038 26.145 ( -0.148 0.148 0.751) 0.780 26.630 ( 0.899 -0.899 -0.217) 1.290 26.640 ( 1.215 -1.215 -0.141) 1.724 52.633 ( -0.114 0.114 0.181) 0.243 52.792 ( 3.600 -3.600 -5.995) 7.865 62.241 ( 0.206 -0.206 0.307) 0.424 62.361 ( -0.476 0.476 -2.427) 2.519======================= Grid point 211 (94/165) =======================q-point: (-0.13 -0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( -0.000 0.000 -15.295) 15.295 0.589 ( -0.000 0.000 -15.295) 15.295 1.224 ( -0.000 0.000 -29.019) 29.019 4.359 ( 0.000 -0.000 2.043) 2.043 4.359 ( 0.000 -0.000 2.043) 2.043 4.589 ( -0.000 0.000 -4.655) 4.655 4.589 ( -0.000 0.000 -4.655) 4.655 5.582 ( 0.000 -0.000 8.321) 8.321 6.358 ( -0.000 0.000 -8.311) 8.311 13.711 ( -0.000 0.000 -0.698) 0.698 13.865 ( 0.000 -0.000 20.457) 20.457 13.865 ( 0.000 -0.000 20.457) 20.457 25.185 ( -0.000 0.000 -2.109) 2.109 25.702 ( 0.000 -0.000 0.921) 0.921 26.138 ( -0.000 0.000 -1.580) 1.580 26.701 ( -0.000 0.000 -0.059) 0.059 26.701 ( -0.000 0.000 -0.059) 0.059 52.671 ( 0.000 -0.000 0.224) 0.224 52.671 ( 0.000 -0.000 0.224) 0.224 62.127 ( 0.000 -0.000 0.183) 0.183 62.309 ( -0.000 0.000 -0.472) 0.472======================= Grid point 212 (95/165) =======================q-point: ( 0.38 -0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( 0.000 6.379 -1.520) 6.558 1.587 ( 0.000 11.396 0.061) 11.396 2.520 ( 0.000 4.040 4.787) 6.264 4.281 ( 0.000 -1.711 9.493) 9.646 4.355 ( 0.000 -3.284 3.136) 4.541 4.666 ( -0.000 -4.336 2.369) 4.942 4.696 ( 0.000 5.706 -1.897) 6.013 5.213 ( 0.000 -1.589 1.504) 2.188 6.189 ( -0.000 9.150 -13.639) 16.424 12.464 ( -0.000 -19.323 1.384) 19.373 13.565 ( 0.000 -17.603 12.263) 21.453 14.201 ( 0.000 0.511 0.019) 0.511 25.328 ( 0.000 1.664 -0.224) 1.679 25.617 ( -0.000 -0.338 -0.322) 0.467 26.163 ( 0.000 1.509 -0.269) 1.533 26.560 ( 0.000 0.022 0.003) 0.022 26.742 ( -0.000 -0.367 -0.271) 0.456 51.413 ( -0.000 -0.304 -0.158) 0.343 54.121 ( -0.000 -8.869 -6.568) 11.036 62.224 ( -0.000 0.061 -0.063) 0.088 62.283 ( 0.000 0.329 -0.059) 0.334======================= Grid point 213 (96/165) =======================q-point: ( 0.38 -0.12 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 10.784 3.989 -3.454) 12.006 1.830 ( 2.642 10.111 -4.432) 11.352 2.513 ( -1.600 -2.959 3.394) 4.779 4.162 ( -6.804 -2.329 2.216) 7.525 4.265 ( -6.417 0.417 7.585) 9.944 4.561 ( -1.712 0.106 2.152) 2.752 4.732 ( -2.939 0.247 6.392) 7.039 5.369 ( 13.172 -0.639 -4.675) 13.992 6.367 ( -3.328 11.882 -13.969) 18.638 12.107 ( -0.985 -15.268 13.228) 20.225 13.215 ( 6.876 -23.647 13.543) 28.104 14.211 ( 4.379 -3.888 -0.178) 5.859 25.357 ( 0.027 1.169 -0.771) 1.401 25.607 ( -0.989 0.314 -0.187) 1.054 26.193 ( -0.071 1.573 -0.746) 1.742 26.577 ( 0.266 1.410 0.011) 1.435 26.720 ( -1.394 -0.425 -0.094) 1.460 51.641 ( 11.715 11.312 0.006) 16.285 53.731 ( -13.530 -16.034 -2.620) 21.143 62.235 ( 1.564 -0.774 0.027) 1.745 62.288 ( -0.416 0.468 -0.131) 0.640======================= Grid point 216 (97/165) =======================q-point: (-0.62 -0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( 8.728 0.556 -5.193) 10.171 2.051 ( 7.167 1.690 -5.878) 9.422 2.372 ( -4.758 -3.348 1.993) 6.149 4.011 ( -4.817 0.017 0.696) 4.867 4.152 ( -8.552 4.685 5.263) 11.081 4.588 ( -0.300 3.565 7.205) 8.045 4.664 ( -1.965 -1.938 8.166) 8.620 5.559 ( 10.384 -4.888 -8.091) 14.042 6.493 ( -7.800 11.470 -13.442) 19.316 11.875 ( 1.846 -8.401 25.260) 26.685 12.973 ( 16.431 -23.275 8.514) 29.735 14.218 ( 6.946 -6.745 -0.297) 9.687 25.373 ( -0.228 0.633 -1.066) 1.261 25.596 ( -1.300 0.962 -0.112) 1.621 26.216 ( -0.508 1.155 -0.966) 1.589 26.620 ( 0.355 2.234 0.041) 2.262 26.675 ( -2.210 -0.414 0.039) 2.249 52.254 ( 19.071 18.923 0.130) 26.867 53.036 ( -19.865 -20.110 -0.440) 28.270 62.242 ( 1.471 -1.564 0.056) 2.148 62.292 ( -0.732 1.031 0.091) 1.267======================= Grid point 218 (98/165) =======================q-point: (-0.13 -0.12 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 445Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 8.056 8.056 -8.947) 14.487 1.820 ( 10.302 10.302 -3.680) 15.027 2.215 ( 8.155 8.155 -2.038) 11.711 3.822 ( -4.654 -4.654 -1.763) 6.814 4.144 ( -5.120 -5.120 -0.124) 7.241 4.381 ( -5.619 -5.619 -20.038) 21.556 5.012 ( 0.313 0.313 -6.081) 6.097 5.770 ( 0.947 0.947 12.423) 12.495 5.915 ( 5.130 5.130 9.768) 12.167 12.798 ( -14.279 -14.279 -10.927) 22.961 14.029 ( 1.690 1.690 17.638) 17.799 14.337 ( 7.255 7.255 -0.175) 10.262 25.300 ( 1.199 1.199 -1.022) 1.980 25.580 ( -1.536 -1.536 0.304) 2.193 26.134 ( 0.594 0.594 -0.320) 0.899 26.634 ( -0.910 -0.910 0.204) 1.304 26.643 ( -1.376 -1.376 0.165) 1.953 52.632 ( -0.078 -0.078 0.028) 0.114 52.914 ( -6.464 -6.464 6.422) 11.172 62.237 ( -0.269 -0.269 -0.189) 0.425 62.413 ( -0.062 -0.062 3.006) 3.007======================= Grid point 219 (99/165) =======================q-point: (-0.13 -0.12 0.53)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 447Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( 6.588 6.588 -5.889) 11.022 2.140 ( 5.804 5.804 -1.975) 8.442 2.429 ( 2.927 2.927 2.651) 4.916 3.687 ( -2.261 -2.261 -1.671) 3.608 3.972 ( -3.406 -3.406 0.866) 4.894 4.164 ( -4.689 -4.689 -23.763) 24.671 5.020 ( 0.179 0.179 -6.909) 6.914 5.795 ( 0.385 0.385 13.534) 13.544 6.115 ( 4.272 4.272 11.667) 13.138 12.311 ( -9.670 -9.670 -20.319) 24.493 14.080 ( 0.857 0.857 17.614) 17.655 14.574 ( 4.517 4.517 -0.059) 6.388 25.337 ( 0.629 0.629 -0.799) 1.196 25.528 ( -0.986 -0.986 0.151) 1.403 26.158 ( 0.516 0.516 0.319) 0.796 26.596 ( -0.927 -0.927 -0.093) 1.314 26.603 ( -0.631 -0.631 0.125) 0.901 52.634 ( 0.132 0.132 -0.364) 0.409 52.741 ( -2.470 -2.470 2.042) 4.047 62.228 ( -0.197 -0.197 -0.255) 0.377 62.365 ( -1.748 -1.748 1.275) 2.781======================= Grid point 222 (100/165) =======================q-point: (-0.13 -0.12 -0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 249Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 0.000 0.000 -4.335) 4.335 2.255 ( 0.000 0.000 -1.431) 1.431 2.475 ( 0.000 0.000 4.447) 4.447 3.644 ( 0.000 0.000 -1.333) 1.333 3.902 ( 0.000 0.000 1.264) 1.264 4.066 ( 0.000 0.000 -25.528) 25.528 5.024 ( 0.000 0.000 -7.284) 7.284 5.802 ( 0.000 0.000 13.774) 13.774 6.203 ( 0.000 0.000 12.097) 12.097 12.112 ( 0.000 0.000 -23.523) 23.523 14.096 ( 0.000 0.000 17.732) 17.732 14.665 ( 0.000 0.000 0.007) 0.007 25.349 ( 0.000 0.000 -0.709) 0.709 25.509 ( 0.000 0.000 0.103) 0.103 26.169 ( 0.000 0.000 0.519) 0.519 26.578 ( 0.000 0.000 -0.179) 0.179 26.590 ( 0.000 0.000 0.068) 0.068 52.637 ( 0.000 0.000 -0.559) 0.559 52.698 ( 0.000 0.000 0.701) 0.701 62.223 ( 0.000 0.000 -0.176) 0.176 62.325 ( 0.000 0.000 0.363) 0.363======================= Grid point 232 (101/165) =======================q-point: (-0.24 -0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( -0.000 -3.223 -13.381) 13.764 1.038 ( -0.000 -13.761 -12.480) 18.577 1.769 ( -0.000 -4.677 -22.166) 22.654 4.324 ( 0.000 -1.249 2.869) 3.129 4.383 ( 0.000 -6.392 4.453) 7.790 4.669 ( -0.000 2.180 -5.809) 6.205 4.682 ( -0.000 1.128 -6.153) 6.256 5.421 ( 0.000 -2.568 11.108) 11.401 6.420 ( -0.000 11.997 -12.596) 17.395 13.339 ( 0.000 5.662 27.345) 27.925 13.461 ( 0.000 -6.417 26.438) 27.205 13.772 ( -0.000 -4.483 -0.787) 4.551 25.239 ( -0.000 -0.638 -2.649) 2.725 25.677 ( 0.000 0.689 0.881) 1.119 26.165 ( -0.000 0.655 -2.077) 2.178 26.689 ( 0.000 1.301 -0.053) 1.303 26.712 ( -0.000 -0.859 0.254) 0.896 52.544 ( 0.000 12.099 0.306) 12.102 52.904 ( -0.000 -21.803 6.363) 22.712 62.136 ( -0.000 -1.213 0.154) 1.223 62.307 ( -0.000 1.124 -0.798) 1.379======================= Grid point 233 (102/165) =======================q-point: ( 0.26 -0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( 0.000 10.259 0.374) 10.266 1.274 ( 0.000 15.287 4.566) 15.954 2.260 ( 0.000 13.872 3.854) 14.397 4.172 ( 0.000 -3.660 6.531) 7.487 4.368 ( -0.000 -3.095 1.916) 3.640 4.607 ( 0.000 5.532 -0.655) 5.570 4.715 ( -0.000 -4.053 1.297) 4.256 5.247 ( -0.000 -3.313 0.174) 3.318 6.231 ( -0.000 7.441 -7.202) 10.355 12.940 ( -0.000 -25.585 -3.002) 25.760 13.736 ( -0.000 -15.964 4.218) 16.512 14.144 ( 0.000 4.978 0.139) 4.980 25.287 ( 0.000 2.450 0.206) 2.458 25.638 ( -0.000 -1.027 -0.322) 1.076 26.132 ( 0.000 1.675 0.165) 1.683 26.573 ( -0.000 -1.373 0.009) 1.373 26.755 ( -0.000 -0.390 -0.307) 0.496 51.539 ( -0.000 -11.919 -0.165) 11.920 54.398 ( -0.000 -4.336 -8.137) 9.221 62.217 ( 0.000 0.707 -0.036) 0.708 62.285 ( -0.000 -0.118 -0.440) 0.456======================= Grid point 234 (103/165) =======================q-point: ( 0.26 -0.14 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( 12.082 7.206 -0.956) 14.101 1.600 ( 1.946 15.711 0.972) 15.861 2.443 ( 0.326 4.288 2.758) 5.108 4.093 ( -3.481 -1.122 6.142) 7.148 4.220 ( -7.644 -3.387 1.377) 8.473 4.467 ( -16.509 5.743 0.626) 17.490 4.691 ( 3.819 -5.017 3.948) 7.440 5.452 ( 17.832 -0.377 -3.138) 18.109 6.373 ( -2.604 9.494 -7.840) 12.585 12.334 ( -9.443 -24.100 4.648) 26.298 13.491 ( 12.557 -22.079 4.668) 25.825 14.245 ( 4.434 0.645 0.016) 4.481 25.333 ( 0.058 2.064 -0.096) 2.067 25.611 ( -1.148 -0.389 -0.209) 1.230 26.168 ( 0.104 1.851 -0.204) 1.865 26.563 ( 0.312 -0.028 0.002) 0.313 26.732 ( -1.498 -0.462 -0.168) 1.576 51.535 ( 11.876 -0.622 -0.108) 11.893 54.064 ( -16.697 -10.475 -4.112) 20.135 62.234 ( 0.610 0.368 0.192) 0.738 62.301 ( 1.649 -1.092 -0.483) 2.036======================= Grid point 237 (104/165) =======================q-point: ( 0.26 -0.14 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 11.155 4.310 -2.772) 12.276 1.939 ( 4.027 12.648 0.173) 13.275 2.439 ( -0.303 -4.428 1.146) 4.584 3.966 ( -10.068 0.963 5.611) 11.566 4.034 ( -4.169 -1.165 0.418) 4.349 4.300 ( -14.478 8.778 4.522) 17.525 4.676 ( 5.357 -5.774 3.347) 8.558 5.756 ( 14.473 -2.577 -4.802) 15.465 6.486 ( -5.825 10.218 -7.725) 14.072 11.761 ( -5.801 -16.784 12.350) 21.630 13.353 ( 20.036 -24.819 2.153) 31.970 14.329 ( 7.022 -3.842 -0.086) 8.005 25.365 ( -0.266 1.426 -0.299) 1.481 25.584 ( -1.578 0.458 -0.128) 1.648 26.202 ( -0.199 1.539 -0.406) 1.604 26.583 ( 0.343 1.379 0.022) 1.421 26.684 ( -2.354 -0.443 -0.042) 2.396 51.951 ( 19.069 11.201 -0.026) 22.115 53.418 ( -21.756 -15.984 -1.534) 27.040 62.256 ( 0.443 0.611 0.424) 0.865 62.289 ( 0.266 -1.682 -0.428) 1.756======================= Grid point 238 (105/165) =======================q-point: ( 0.26 -0.14 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( 0.445 -0.445 -5.022) 5.062 2.183 ( -2.703 2.703 5.104) 6.377 2.315 ( 5.920 -5.920 -3.464) 9.061 3.857 ( -5.978 5.978 5.195) 9.922 3.984 ( -2.144 2.144 0.478) 3.070 4.246 ( -11.739 11.739 6.075) 17.678 4.672 ( 5.875 -5.875 3.107) 8.870 5.876 ( 8.062 -8.062 -5.344) 12.591 6.531 ( -8.752 8.752 -7.464) 14.453 11.531 ( 5.134 -5.134 15.100) 16.754 13.306 ( 24.065 -24.065 1.017) 34.048 14.361 ( 6.782 -6.782 -0.126) 9.592 25.377 ( -0.792 0.792 -0.383) 1.183 25.572 ( -1.244 1.244 -0.102) 1.762 26.216 ( -0.861 0.861 -0.455) 1.299 26.622 ( -1.015 1.015 0.013) 1.436 26.634 ( -0.914 0.914 0.038) 1.294 52.623 ( 0.045 -0.045 -0.210) 0.219 52.675 ( 0.595 -0.595 -0.442) 0.951 62.267 ( 0.676 -0.676 0.405) 1.038 62.271 ( -0.389 0.389 -0.223) 0.594======================= Grid point 241 (106/165) =======================q-point: (-0.24 -0.14 0.54)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 5.930 6.715 -5.045) 10.282 1.998 ( 2.150 13.750 -2.646) 14.167 2.389 ( 6.223 -1.653 -0.740) 6.481 3.814 ( -0.480 -7.089 -1.852) 7.343 4.048 ( -3.801 -6.112 0.707) 7.232 4.718 ( -3.605 -3.511 -23.864) 24.388 5.125 ( -0.544 3.153 -5.728) 6.561 5.486 ( 0.411 0.415 17.719) 17.728 5.811 ( 3.130 3.553 9.170) 10.321 12.833 ( -9.778 -2.763 -16.560) 19.428 13.662 ( 1.174 -0.618 21.433) 21.474 14.459 ( 4.503 7.152 -0.139) 8.453 25.338 ( 0.769 0.776 -0.698) 1.297 25.551 ( -0.872 -1.556 0.183) 1.793 26.150 ( 0.375 0.156 -0.230) 0.467 26.595 ( -1.552 0.335 0.066) 1.590 26.639 ( 0.074 -2.430 0.121) 2.434 52.361 ( -12.540 19.026 0.696) 22.797 53.008 ( 10.131 -21.009 2.640) 23.473 62.241 ( 0.198 -0.435 -0.394) 0.620 62.350 ( -1.345 0.318 1.752) 2.231======================= Grid point 244 (107/165) =======================q-point: (-0.24 -0.14 0.64)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 2.075 4.067 -2.618) 5.263 2.241 ( 2.184 6.400 -1.487) 6.924 2.401 ( -1.034 -1.554 2.414) 3.051 3.708 ( 1.076 -4.070 -1.162) 4.367 3.908 ( -0.854 -3.049 0.869) 3.284 4.600 ( -0.761 -2.845 -26.105) 26.271 5.161 ( -1.497 2.529 -8.605) 9.093 5.498 ( 1.681 -1.332 19.521) 19.639 5.929 ( 0.984 2.824 11.942) 12.311 12.640 ( -4.042 -1.806 -27.574) 27.927 13.666 ( -2.056 2.049 22.943) 23.126 14.621 ( 0.084 4.379 0.007) 4.380 25.358 ( 0.196 0.316 -0.454) 0.587 25.516 ( -0.025 -0.945 0.084) 0.949 26.159 ( 0.325 0.019 0.363) 0.487 26.583 ( -0.076 0.098 -0.084) 0.150 26.600 ( -0.012 -1.452 0.032) 1.452 52.544 ( -0.295 11.839 -0.078) 11.843 52.784 ( -0.475 -11.539 0.517) 11.560 62.233 ( 0.193 -0.687 -0.163) 0.732 62.322 ( -0.813 -0.195 0.353) 0.908======================= Grid point 253 (108/165) =======================q-point: (-0.35 -0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -0.000 -1.897 -10.436) 10.607 1.494 ( -0.000 -9.125 -10.766) 14.113 2.214 ( -0.000 -6.648 -12.327) 14.006 4.300 ( 0.000 -2.440 3.406) 4.190 4.405 ( 0.000 -5.573 5.631) 7.922 4.697 ( 0.000 3.487 -1.960) 4.000 4.771 ( -0.000 2.359 -6.538) 6.951 5.281 ( 0.000 -3.770 9.301) 10.036 6.402 ( -0.000 15.965 -14.770) 21.750 12.692 ( 0.000 4.532 27.717) 28.085 13.173 ( 0.000 -16.507 26.665) 31.361 13.902 ( -0.000 -7.054 -0.699) 7.089 25.301 ( -0.000 -0.523 -2.486) 2.540 25.647 ( 0.000 0.919 0.510) 1.051 26.189 ( -0.000 0.838 -1.933) 2.107 26.655 ( 0.000 2.163 -0.029) 2.164 26.721 ( -0.000 -0.578 0.301) 0.652 52.221 ( 0.000 19.345 0.318) 19.347 53.198 ( -0.000 -21.356 6.590) 22.349 62.164 ( -0.000 -1.729 0.033) 1.729 62.303 ( -0.000 1.005 -0.959) 1.389======================= Grid point 254 (109/165) =======================q-point: ( 0.15 -0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( 0.000 16.691 0.000) 16.691 0.909 ( 0.000 13.246 0.000) 13.246 1.854 ( 0.000 23.240 0.000) 23.240 4.199 ( -0.000 -5.783 -0.000) 5.783 4.406 ( -0.000 -2.732 -0.000) 2.732 4.517 ( 0.000 4.253 0.000) 4.253 4.770 ( -0.000 -2.559 -0.000) 2.559 5.326 ( -0.000 -5.192 -0.000) 5.192 6.164 ( 0.000 6.452 0.000) 6.452 13.477 ( -0.000 -24.246 -0.000) 24.246 13.984 ( -0.000 -11.681 -0.000) 11.681 14.016 ( 0.000 7.618 0.000) 7.618 25.234 ( 0.000 2.578 0.000) 2.578 25.666 ( -0.000 -1.415 -0.000) 1.415 26.097 ( 0.000 1.485 0.000) 1.485 26.609 ( -0.000 -2.183 -0.000) 2.183 26.766 ( -0.000 -0.335 -0.000) 0.335 51.853 ( -0.000 -19.133 -0.000) 19.133 54.553 ( -0.000 -1.247 -0.000) 1.247 62.198 ( 0.000 1.270 0.000) 1.270 62.297 ( -0.000 -0.303 -0.000) 0.303======================= Grid point 255 (110/165) =======================q-point: ( 0.15 -0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( 2.508 17.084 0.000) 17.267 1.297 ( 14.045 9.616 -0.000) 17.022 2.239 ( 1.763 13.714 0.000) 13.827 4.075 ( -3.377 -3.820 0.000) 5.099 4.279 ( -6.056 -3.622 0.000) 7.057 4.351 ( -19.548 4.947 0.000) 20.164 4.743 ( 3.620 -3.940 -0.000) 5.351 5.503 ( 18.777 -1.689 -0.000) 18.853 6.281 ( -1.910 7.600 0.000) 7.836 12.801 ( -14.430 -26.387 -0.000) 30.075 13.847 ( 12.996 -17.061 -0.000) 21.447 14.188 ( 4.486 5.019 -0.000) 6.732 25.287 ( 0.240 2.488 0.000) 2.500 25.628 ( -1.256 -1.045 0.000) 1.634 26.133 ( 0.295 1.805 0.000) 1.829 26.578 ( 0.466 -1.487 -0.000) 1.559 26.742 ( -1.627 -0.389 0.000) 1.673 51.670 ( 12.722 -12.748 -0.000) 18.010 54.249 ( -22.161 -3.236 0.000) 22.396 62.227 ( 0.490 0.095 -0.000) 0.500 62.334 ( 4.137 -1.386 -0.000) 4.363======================= Grid point 256 (111/165) =======================q-point: (-0.35 -0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 445Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( 5.276 -5.276 -11.008) 13.299 1.312 ( 7.690 -7.690 -11.693) 15.968 2.149 ( 1.166 -1.166 -15.637) 15.724 4.192 ( -2.796 2.796 2.353) 4.601 4.423 ( 7.857 -7.857 6.015) 12.636 4.660 ( -6.577 6.577 -2.853) 9.729 4.891 ( 3.407 -3.407 -8.536) 9.802 5.216 ( 1.364 -1.364 11.323) 11.486 6.572 ( -9.487 9.487 -14.026) 19.410 12.845 ( 2.478 -2.478 33.407) 33.590 12.891 ( 4.454 -4.454 27.677) 28.384 13.831 ( 4.388 -4.388 -0.775) 6.253 25.296 ( 0.332 -0.332 -2.783) 2.823 25.656 ( -0.641 0.641 0.576) 1.074 26.199 ( -0.507 0.507 -2.024) 2.147 26.692 ( -0.554 0.554 0.009) 0.784 26.699 ( -0.276 0.276 0.173) 0.427 52.651 ( -0.396 0.396 0.188) 0.591 52.731 ( 2.359 -2.359 4.517) 5.616 62.151 ( 1.599 -1.599 0.263) 2.277 62.315 ( -0.767 0.767 -0.945) 1.438======================= Grid point 258 (112/165) =======================q-point: ( 0.15 -0.15 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( 2.856 15.867 0.000) 16.122 1.750 ( 15.527 5.931 -0.000) 16.621 2.442 ( 1.994 3.397 0.000) 3.938 3.903 ( -9.057 -1.738 0.000) 9.222 4.084 ( -5.343 -3.343 0.000) 6.302 4.101 ( -16.787 6.961 0.000) 18.173 4.743 ( 4.520 -4.397 -0.000) 6.306 5.835 ( 15.854 -0.722 -0.000) 15.870 6.381 ( -3.673 8.107 0.000) 8.901 12.035 ( -12.572 -22.131 -0.000) 25.452 13.791 ( 18.375 -20.339 -0.000) 27.410 14.362 ( 7.142 0.615 -0.000) 7.169 25.334 ( -0.020 1.939 0.000) 1.939 25.583 ( -1.796 -0.280 0.000) 1.817 26.174 ( 0.188 1.692 0.000) 1.702 26.570 ( 0.388 -0.144 -0.000) 0.414 26.693 ( -2.507 -0.393 0.000) 2.538 51.848 ( 19.153 -1.089 -0.000) 19.184 53.669 ( -25.623 -7.256 0.000) 26.631 62.236 ( -0.057 0.623 0.000) 0.626 62.345 ( 1.622 -3.266 -0.000) 3.647======================= Grid point 259 (113/165) =======================q-point: ( 0.15 -0.15 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( -1.108 10.378 0.000) 10.437 2.080 ( 9.092 1.660 -0.000) 9.243 2.468 ( 3.166 -4.593 -0.000) 5.579 3.702 ( -9.692 2.437 0.000) 9.994 3.971 ( -2.361 -0.528 0.000) 2.419 3.979 ( -12.397 9.464 0.000) 15.596 4.744 ( 4.624 -4.607 -0.000) 6.527 6.044 ( 8.884 -3.254 -0.000) 9.461 6.446 ( -4.946 6.831 0.000) 8.433 11.549 ( -2.108 -11.330 -0.000) 11.525 13.767 ( 21.176 -21.795 -0.000) 30.388 14.470 ( 6.930 -3.953 -0.000) 7.978 25.359 ( -0.561 1.240 0.000) 1.361 25.554 ( -1.525 0.695 0.000) 1.676 26.200 ( -0.366 1.120 0.000) 1.178 26.589 ( 0.237 1.373 0.000) 1.393 26.636 ( -2.366 -0.320 0.000) 2.387 52.338 ( 19.398 11.472 -0.000) 22.536 53.000 ( -20.865 -14.189 0.000) 25.232 62.246 ( -0.698 0.950 0.000) 1.178 62.303 ( 0.519 -2.176 -0.000) 2.237======================= Grid point 264 (114/165) =======================q-point: ( 0.65 -0.15 -0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 410Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( 0.000 6.400 -0.000) 6.400 2.036 ( 0.000 14.467 -0.000) 14.467 2.460 ( 0.000 -4.715 -0.000) 4.715 3.837 ( 0.000 -7.953 -0.000) 7.953 3.996 ( 0.000 -6.643 0.000) 6.643 5.067 ( 0.000 1.334 0.000) 1.334 5.164 ( 0.000 0.227 -0.000) 0.227 5.187 ( 0.000 0.947 -0.000) 0.947 5.741 ( 0.000 2.481 -0.000) 2.481 12.947 ( 0.000 10.242 0.000) 10.242 13.411 ( 0.000 -10.497 -0.000) 10.497 14.505 ( 0.000 7.101 -0.000) 7.101 25.352 ( -0.000 0.641 -0.000) 0.641 25.540 ( 0.000 -1.556 -0.000) 1.556 26.156 ( 0.000 -0.004 -0.000) 0.004 26.579 ( 0.000 0.334 -0.000) 0.334 26.639 ( 0.000 -2.343 -0.000) 2.343 52.230 ( 0.000 19.301 -0.000) 19.301 53.084 ( 0.000 -19.213 -0.000) 19.213 62.252 ( 0.000 -0.984 -0.000) 0.984 62.313 ( 0.000 0.748 -0.000) 0.748======================= Grid point 266 (115/165) =======================q-point: ( 0.65 -0.15 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 447Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( -4.110 4.110 1.818) 6.090 2.249 ( -4.411 4.411 3.682) 7.244 2.344 ( -0.066 0.066 -2.221) 2.223 3.751 ( 3.199 -3.199 1.139) 4.665 3.931 ( 3.363 -3.363 -0.929) 4.846 5.079 ( 0.967 -0.967 -23.135) 23.176 5.121 ( 2.627 -2.627 23.426) 23.718 5.240 ( -3.079 3.079 -1.678) 4.666 5.775 ( -1.337 1.337 1.818) 2.623 13.154 ( -1.094 1.094 -29.305) 29.346 13.194 ( 0.690 -0.690 23.010) 23.030 14.577 ( -4.374 4.374 0.086) 6.186 25.359 ( -0.382 0.382 0.195) 0.574 25.524 ( 0.897 -0.897 -0.028) 1.268 26.156 ( 0.052 -0.052 0.341) 0.349 26.597 ( 0.571 -0.571 -0.189) 0.829 26.601 ( 0.755 -0.755 0.102) 1.072 52.656 ( -0.448 0.448 0.772) 0.999 52.664 ( 0.137 -0.137 -1.600) 1.612 62.238 ( 0.402 -0.402 0.213) 0.607 62.322 ( 0.271 -0.271 -0.790) 0.878======================= Grid point 275 (116/165) =======================q-point: (-0.46 -0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( -0.000 1.184 -7.146) 7.243 1.772 ( -0.000 0.640 -9.259) 9.282 2.473 ( -0.000 -5.853 -1.893) 6.152 4.289 ( 0.000 -3.205 3.567) 4.795 4.384 ( 0.000 -2.964 5.914) 6.615 4.613 ( 0.000 0.138 5.193) 5.194 4.825 ( -0.000 4.002 -5.327) 6.663 5.220 ( 0.000 -1.739 3.426) 3.842 6.382 ( -0.000 15.433 -15.782) 22.073 12.206 ( 0.000 -3.985 20.566) 20.949 13.084 ( 0.000 -23.414 24.206) 33.677 14.053 ( -0.000 -6.815 -0.459) 6.830 25.346 ( -0.000 0.221 -1.779) 1.793 25.625 ( 0.000 0.740 0.078) 0.744 26.202 ( -0.000 1.222 -1.399) 1.858 26.611 ( 0.000 2.233 -0.010) 2.233 26.726 ( -0.000 -0.418 0.117) 0.434 51.830 ( 0.000 18.960 0.179) 18.961 53.506 ( -0.000 -19.342 2.209) 19.468 62.196 ( -0.000 -1.397 -0.069) 1.398 62.301 ( -0.000 0.803 -0.571) 0.985======================= Grid point 278 (117/165) =======================q-point: (-0.46 -0.16 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 9.039 -0.071 -8.589) 12.469 1.714 ( 2.612 -9.220 -9.408) 13.429 2.383 ( -1.695 -0.740 -6.672) 6.923 4.130 ( -5.486 -0.395 2.089) 5.884 4.438 ( 8.108 -5.151 6.194) 11.429 4.535 ( -8.794 4.625 3.059) 10.396 4.981 ( 3.685 4.112 2.956) 6.264 5.173 ( 1.950 -5.348 -3.582) 6.725 6.613 ( -6.745 13.565 -14.652) 21.076 12.225 ( 6.336 -1.392 30.111) 30.802 12.659 ( 3.825 -20.599 25.186) 32.762 13.959 ( 4.330 -6.927 -0.590) 8.190 25.349 ( 0.062 0.003 -2.252) 2.253 25.634 ( -0.691 0.880 0.163) 1.131 26.220 ( -0.373 0.926 -1.632) 1.913 26.659 ( 0.302 2.170 0.025) 2.191 26.703 ( -1.304 -0.478 0.135) 1.395 52.338 ( 12.143 19.532 0.651) 23.008 52.986 ( -12.727 -19.564 2.224) 23.445 62.181 ( 1.539 -1.831 0.182) 2.399 62.315 ( -0.474 0.956 -0.747) 1.302======================= Grid point 296 (118/165) =======================q-point: ( 0.42 -0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( -0.000 4.784 -3.831) 6.129 1.805 ( 0.000 10.300 -5.144) 11.514 2.529 ( 0.000 -2.580 3.939) 4.709 4.268 ( 0.000 0.324 8.106) 8.113 4.289 ( 0.000 -3.408 3.168) 4.652 4.570 ( 0.000 -5.224 4.505) 6.898 4.809 ( 0.000 5.766 -2.997) 6.499 5.201 ( 0.000 -0.048 0.406) 0.409 6.400 ( -0.000 12.493 -14.110) 18.846 12.116 ( -0.000 -16.149 9.365) 18.668 13.147 ( 0.000 -24.964 18.774) 31.235 14.167 ( -0.000 -3.860 -0.182) 3.864 25.357 ( -0.000 1.250 -0.870) 1.523 25.617 ( -0.000 0.239 -0.197) 0.310 26.194 ( 0.000 1.650 -0.749) 1.812 26.575 ( 0.000 1.424 -0.002) 1.424 26.734 ( -0.000 -0.447 -0.114) 0.461 51.524 ( 0.000 11.355 -0.029) 11.355 53.868 ( -0.000 -16.703 -2.927) 16.957 62.218 ( -0.000 -0.653 -0.085) 0.658 62.292 ( 0.000 0.661 -0.084) 0.666======================= Grid point 299 (119/165) =======================q-point: (-0.58 -0.18 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 9.400 2.706 -5.382) 11.165 1.966 ( 2.282 2.075 -8.191) 8.753 2.442 ( -2.408 -2.401 2.333) 4.124 4.118 ( -6.198 -2.039 1.849) 6.782 4.302 ( -4.352 3.331 7.216) 9.062 4.493 ( 3.821 -5.430 3.945) 7.723 4.809 ( -8.077 5.961 3.497) 10.630 5.342 ( 11.131 -2.240 -4.980) 12.398 6.617 ( -4.644 13.447 -13.398) 19.542 11.851 ( 0.799 -10.975 20.446) 23.219 12.713 ( 9.536 -26.995 18.340) 34.001 14.105 ( 4.329 -6.679 -0.332) 7.966 25.376 ( -0.100 0.773 -1.345) 1.555 25.617 ( -0.828 0.731 -0.107) 1.110 26.223 ( -0.241 1.411 -1.025) 1.761 26.614 ( 0.259 2.235 0.015) 2.250 26.711 ( -1.353 -0.481 0.012) 1.436 51.945 ( 11.694 18.878 0.131) 22.207 53.365 ( -12.711 -20.694 -0.519) 24.292 62.212 ( 1.327 -1.500 0.002) 2.003 62.304 ( -0.499 1.069 -0.219) 1.200======================= Grid point 300 (120/165) =======================q-point: (-0.58 -0.18 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 447Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( 3.671 -3.671 -6.582) 8.384 1.961 ( 7.349 -7.349 -6.401) 12.206 2.395 ( -3.994 3.994 -0.687) 5.691 4.029 ( -1.974 1.974 1.334) 3.094 4.275 ( -7.577 7.577 5.301) 11.955 4.490 ( 7.360 -7.360 5.164) 11.620 4.786 ( -8.049 8.049 6.537) 13.126 5.437 ( 7.503 -7.503 -7.344) 12.904 6.708 ( -10.189 10.189 -12.808) 19.279 11.748 ( 4.851 -4.851 27.930) 28.760 12.534 ( 20.799 -20.799 14.519) 32.803 14.081 ( 6.874 -6.874 -0.388) 9.729 25.383 ( -0.370 0.370 -1.516) 1.604 25.616 ( -1.027 1.027 -0.075) 1.454 26.235 ( -0.816 0.816 -1.101) 1.595 26.661 ( -0.954 0.954 -0.009) 1.350 26.671 ( -0.814 0.814 0.107) 1.156 52.634 ( -0.445 0.445 0.857) 1.064 52.649 ( 0.183 -0.183 -0.424) 0.497 62.210 ( 1.690 -1.690 0.138) 2.394 62.311 ( -0.939 0.939 -0.243) 1.350======================= Grid point 316 (121/165) =======================q-point: ( 0.31 -0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 0.000 8.250 -1.079) 8.321 1.581 ( 0.000 16.104 0.512) 16.113 2.440 ( 0.000 4.665 3.257) 5.690 4.127 ( 0.000 -0.923 6.084) 6.154 4.305 ( -0.000 -3.315 1.939) 3.840 4.617 ( -0.000 -5.781 2.239) 6.199 4.725 ( 0.000 6.433 -1.046) 6.518 5.210 ( -0.000 -0.778 -0.534) 0.943 6.399 ( -0.000 9.970 -7.992) 12.778 12.440 ( -0.000 -25.296 0.980) 25.315 13.353 ( -0.000 -23.344 8.870) 24.972 14.201 ( 0.000 0.678 0.013) 0.678 25.332 ( 0.000 2.172 -0.158) 2.177 25.623 ( -0.000 -0.448 -0.230) 0.504 26.167 ( 0.000 1.934 -0.185) 1.942 26.560 ( 0.000 0.028 0.002) 0.028 26.747 ( -0.000 -0.502 -0.191) 0.537 51.415 ( -0.000 -0.398 -0.112) 0.413 54.235 ( -0.000 -12.350 -4.724) 13.223 62.225 ( 0.000 0.080 -0.045) 0.092 62.285 ( -0.000 0.147 -0.118) 0.188======================= Grid point 317 (122/165) =======================q-point: (-0.19 -0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( -0.000 0.000 -14.719) 14.719 0.875 ( -0.000 0.000 -14.719) 14.719 1.728 ( -0.000 0.000 -23.879) 23.879 4.312 ( 0.000 -0.000 2.899) 2.899 4.312 ( 0.000 -0.000 2.899) 2.899 4.693 ( -0.000 0.000 -6.220) 6.220 4.693 ( -0.000 0.000 -6.220) 6.220 5.393 ( 0.000 -0.000 11.346) 11.346 6.546 ( -0.000 0.000 -11.255) 11.255 13.395 ( 0.000 -0.000 28.698) 28.698 13.395 ( 0.000 -0.000 28.698) 28.698 13.726 ( -0.000 0.000 -0.861) 0.861 25.232 ( -0.000 0.000 -2.807) 2.807 25.684 ( 0.000 -0.000 0.937) 0.937 26.172 ( -0.000 0.000 -1.959) 1.959 26.702 ( -0.000 0.000 -0.056) 0.056 26.702 ( -0.000 0.000 -0.056) 0.056 52.666 ( 0.000 -0.000 0.286) 0.286 52.666 ( 0.000 -0.000 0.286) 0.286 62.124 ( 0.000 -0.000 0.184) 0.184 62.320 ( -0.000 0.000 -0.663) 0.663======================= Grid point 319 (123/165) =======================q-point: ( 0.31 -0.19 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( 10.449 5.559 -2.158) 12.031 1.899 ( 1.116 14.561 -2.671) 14.846 2.447 ( -0.383 -3.353 3.041) 4.542 4.100 ( -3.574 1.560 4.492) 5.948 4.156 ( -7.421 -2.754 2.544) 8.315 4.539 ( -0.137 -2.710 0.510) 2.761 4.637 ( -11.153 3.829 3.460) 12.290 5.444 ( 16.745 -0.672 -2.939) 17.014 6.582 ( -3.636 11.858 -8.138) 14.835 11.892 ( -6.823 -20.966 8.617) 23.672 13.000 ( 14.957 -27.973 8.331) 32.797 14.214 ( 4.371 -3.751 -0.095) 5.760 25.369 ( -0.122 1.644 -0.452) 1.709 25.610 ( -1.010 0.246 -0.152) 1.050 26.205 ( -0.079 1.825 -0.415) 1.874 26.577 ( 0.248 1.406 0.007) 1.428 26.722 ( -1.430 -0.529 -0.082) 1.527 51.642 ( 11.683 11.218 -0.031) 16.197 53.781 ( -14.122 -18.170 -2.208) 23.118 62.234 ( 1.298 -0.596 0.060) 1.430 62.291 ( -0.222 0.238 -0.123) 0.348======================= Grid point 320 (124/165) =======================q-point: ( 0.31 -0.19 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 9.756 1.961 -3.762) 10.639 2.145 ( 2.769 5.478 -3.914) 7.280 2.319 ( -3.114 -4.670 3.079) 6.402 3.983 ( -5.956 0.364 2.390) 6.428 4.061 ( -6.060 4.481 3.159) 8.172 4.487 ( -11.179 9.480 3.236) 15.010 4.557 ( 4.120 -5.690 3.511) 7.854 5.678 ( 12.047 -5.464 -4.324) 13.917 6.698 ( -7.927 11.171 -7.693) 15.710 11.484 ( -0.225 -11.475 14.873) 18.787 12.833 ( 23.600 -27.825 5.597) 36.912 14.223 ( 6.910 -6.659 -0.161) 9.597 25.389 ( -0.502 1.032 -0.622) 1.305 25.598 ( -1.303 0.935 -0.108) 1.607 26.230 ( -0.568 1.276 -0.503) 1.485 26.620 ( 0.345 2.245 0.019) 2.272 26.675 ( -2.243 -0.465 0.008) 2.291 52.254 ( 19.217 18.934 -0.068) 26.978 53.048 ( -20.126 -20.986 -0.652) 29.084 62.241 ( 1.493 -1.580 0.060) 2.174 62.291 ( -1.005 1.134 0.010) 1.515======================= Grid point 325 (125/165) =======================q-point: (-0.19 -0.19 0.59)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( 5.358 5.358 -4.363) 8.744 2.186 ( 5.164 5.164 -2.889) 7.854 2.384 ( 1.321 1.321 2.159) 2.856 3.721 ( -2.577 -2.577 -1.826) 4.077 3.952 ( -3.658 -3.658 1.155) 5.301 4.644 ( -3.473 -3.473 -25.878) 26.340 5.166 ( 0.985 0.985 -7.583) 7.710 5.483 ( -0.061 -0.061 19.075) 19.076 5.886 ( 3.422 3.422 11.135) 12.141 12.740 ( -5.800 -5.800 -24.038) 25.399 13.674 ( 0.854 0.854 24.795) 24.824 14.575 ( 4.451 4.451 -0.073) 6.295 25.351 ( 0.534 0.534 -0.623) 0.979 25.526 ( -0.937 -0.937 0.119) 1.330 26.154 ( 0.260 0.260 0.060) 0.373 26.598 ( -0.838 -0.838 -0.112) 1.191 26.600 ( -0.589 -0.589 0.169) 0.850 52.643 ( 0.308 0.308 -0.583) 0.728 52.700 ( -1.144 -1.144 2.107) 2.657 62.233 ( -0.255 -0.255 -0.281) 0.457 62.341 ( -0.971 -0.971 1.158) 1.796======================= Grid point 326 (126/165) =======================q-point: (-0.19 -0.19 -0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 244Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 0.000 0.000 -3.003) 3.003 2.289 ( 0.000 0.000 -2.152) 2.152 2.398 ( 0.000 0.000 3.614) 3.614 3.669 ( 0.000 0.000 -1.158) 1.158 3.878 ( 0.000 0.000 1.109) 1.109 4.571 ( 0.000 0.000 -26.832) 26.832 5.186 ( 0.000 0.000 -9.069) 9.069 5.482 ( 0.000 0.000 19.689) 19.689 5.959 ( 0.000 0.000 12.467) 12.467 12.618 ( 0.000 0.000 -28.813) 28.813 13.689 ( 0.000 0.000 24.725) 24.725 14.665 ( 0.000 0.000 0.005) 0.005 25.361 ( 0.000 0.000 -0.512) 0.512 25.507 ( 0.000 0.000 0.073) 0.073 26.160 ( 0.000 0.000 0.378) 0.378 26.581 ( 0.000 0.000 -0.206) 0.206 26.588 ( 0.000 0.000 0.128) 0.128 52.650 ( 0.000 0.000 -0.770) 0.770 52.683 ( 0.000 0.000 0.870) 0.870 62.225 ( 0.000 0.000 -0.110) 0.110 62.319 ( 0.000 0.000 0.229) 0.229======================= Grid point 337 (127/165) =======================q-point: ( 0.20 -0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 0.000 11.064 0.000) 11.064 1.226 ( 0.000 17.654 0.000) 17.654 2.222 ( 0.000 14.323 0.000) 14.323 4.107 ( -0.000 -3.548 -0.000) 3.548 4.348 ( -0.000 -3.120 -0.000) 3.120 4.614 ( 0.000 5.679 0.000) 5.679 4.699 ( -0.000 -4.597 -0.000) 4.597 5.249 ( -0.000 -2.714 -0.000) 2.714 6.301 ( 0.000 7.878 0.000) 7.878 12.969 ( -0.000 -27.393 -0.000) 27.393 13.692 ( -0.000 -18.485 -0.000) 18.485 14.143 ( 0.000 5.043 0.000) 5.043 25.285 ( 0.000 2.630 0.000) 2.630 25.641 ( -0.000 -1.080 -0.000) 1.080 26.130 ( 0.000 1.878 0.000) 1.878 26.573 ( -0.000 -1.369 -0.000) 1.369 26.758 ( -0.000 -0.462 -0.000) 0.462 51.541 ( -0.000 -11.937 -0.000) 11.937 54.480 ( -0.000 -6.672 -0.000) 6.672 62.218 ( 0.000 0.708 0.000) 0.708 62.290 ( -0.000 -0.356 -0.000) 0.356======================= Grid point 338 (128/165) =======================q-point: (-0.30 -0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( -0.000 -1.220 -12.740) 12.798 1.273 ( -0.000 -11.392 -12.117) 16.631 2.140 ( -0.000 -1.593 -16.819) 16.894 4.263 ( 0.000 -1.309 3.481) 3.719 4.299 ( 0.000 -4.601 4.385) 6.356 4.774 ( -0.000 3.961 -4.551) 6.033 4.807 ( -0.000 1.327 -6.962) 7.087 5.204 ( 0.000 -3.795 10.883) 11.526 6.669 ( -0.000 10.423 -13.412) 16.986 12.765 ( 0.000 2.798 32.380) 32.500 12.900 ( 0.000 -10.510 32.038) 33.718 13.787 ( -0.000 -4.388 -0.820) 4.464 25.292 ( -0.000 -0.327 -2.944) 2.962 25.663 ( 0.000 0.595 0.624) 0.862 26.204 ( -0.000 0.597 -2.018) 2.104 26.690 ( 0.000 1.306 -0.033) 1.306 26.709 ( -0.000 -0.537 0.109) 0.547 52.538 ( 0.000 12.124 0.311) 12.128 52.822 ( -0.000 -15.498 2.810) 15.750 62.134 ( -0.000 -1.269 0.099) 1.273 62.324 ( -0.000 0.955 -0.896) 1.310======================= Grid point 340 (129/165) =======================q-point: ( 0.20 -0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 12.025 7.857 -0.000) 14.364 1.589 ( 1.444 17.555 0.000) 17.614 2.415 ( 0.842 4.376 0.000) 4.457 4.030 ( -3.917 -0.693 0.000) 3.978 4.207 ( -6.588 -3.725 0.000) 7.568 4.464 ( -19.496 6.563 0.000) 20.571 4.651 ( 4.621 -5.425 -0.000) 7.127 5.484 ( 19.113 -0.513 -0.000) 19.120 6.449 ( -2.762 9.776 0.000) 10.159 12.286 ( -12.184 -26.003 -0.000) 28.716 13.445 ( 15.838 -24.153 -0.000) 28.883 14.245 ( 4.430 0.708 -0.000) 4.487 25.334 ( -0.004 2.247 0.000) 2.247 25.613 ( -1.168 -0.422 0.000) 1.242 26.170 ( 0.123 1.978 0.000) 1.982 26.563 ( 0.311 -0.031 -0.000) 0.312 26.733 ( -1.520 -0.509 0.000) 1.603 51.536 ( 11.872 -0.671 -0.000) 11.891 54.105 ( -17.285 -11.615 0.000) 20.825 62.233 ( 0.445 0.374 -0.000) 0.581 62.306 ( 1.920 -1.318 -0.000) 2.328======================= Grid point 341 (130/165) =======================q-point: ( 0.20 -0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 460Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( 13.553 4.308 -0.000) 14.221 1.931 ( 0.137 14.627 0.000) 14.628 2.428 ( 1.147 -4.599 -0.000) 4.740 3.903 ( -10.158 1.695 0.000) 10.299 4.032 ( -3.890 -1.762 0.000) 4.270 4.261 ( -16.361 9.266 0.000) 18.803 4.644 ( 5.556 -5.699 -0.000) 7.960 5.802 ( 15.235 -2.834 -0.000) 15.496 6.561 ( -6.101 10.293 0.000) 11.966 11.639 ( -7.033 -18.178 -0.000) 19.492 13.331 ( 22.816 -26.588 -0.000) 35.035 14.330 ( 7.015 -3.797 -0.000) 7.977 25.368 ( -0.365 1.604 0.000) 1.645 25.585 ( -1.593 0.445 0.000) 1.653 26.206 ( -0.204 1.595 0.000) 1.608 26.583 ( 0.335 1.377 0.000) 1.417 26.684 ( -2.379 -0.474 0.000) 2.425 51.951 ( 19.077 11.209 -0.000) 22.126 53.433 ( -22.162 -16.515 0.000) 27.638 62.252 ( 0.334 0.646 0.000) 0.728 62.293 ( 0.337 -1.841 -0.000) 1.872======================= Grid point 344 (131/165) =======================q-point: ( 0.20 -0.20 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( 3.679 -3.679 -0.000) 5.203 2.091 ( -6.720 6.720 0.000) 9.503 2.350 ( 6.030 -6.030 -0.000) 8.528 3.797 ( -7.022 7.022 0.000) 9.931 3.981 ( -1.609 1.609 0.000) 2.275 4.193 ( -12.375 12.375 0.000) 17.501 4.643 ( 5.765 -5.765 -0.000) 8.153 5.928 ( 8.525 -8.525 -0.000) 12.056 6.603 ( -8.904 8.904 0.000) 12.593 11.384 ( 5.462 -5.462 -0.000) 7.724 13.294 ( 26.133 -26.133 -0.000) 36.958 14.362 ( 6.760 -6.760 -0.000) 9.559 25.380 ( -0.933 0.933 0.000) 1.320 25.573 ( -1.246 1.246 0.000) 1.763 26.220 ( -0.885 0.885 0.000) 1.252 26.622 ( -1.029 1.029 0.000) 1.455 26.634 ( -0.906 0.906 0.000) 1.281 52.626 ( 0.040 -0.040 -0.000) 0.057 52.680 ( 0.609 -0.609 -0.000) 0.862 62.262 ( 0.074 -0.074 -0.000) 0.105 62.274 ( 0.201 -0.201 -0.000) 0.284======================= Grid point 348 (132/165) =======================q-point: ( 0.70 -0.20 -0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 410Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 0.000 4.414 -0.000) 4.414 2.258 ( 0.000 7.965 -0.000) 7.965 2.376 ( 0.000 -3.589 -0.000) 3.589 3.720 ( 0.000 -4.027 -0.000) 4.027 3.899 ( 0.000 -3.313 0.000) 3.313 5.069 ( 0.000 -0.549 0.000) 0.549 5.092 ( -0.000 -3.033 -0.000) 3.033 5.270 ( 0.000 3.117 -0.000) 3.117 5.789 ( 0.000 2.099 -0.000) 2.099 13.112 ( 0.000 6.210 0.000) 6.210 13.240 ( 0.000 -6.503 -0.000) 6.503 14.621 ( 0.000 4.381 -0.000) 4.381 25.362 ( -0.000 0.374 -0.000) 0.374 25.515 ( 0.000 -0.934 -0.000) 0.934 26.156 ( 0.000 0.003 -0.000) 0.003 26.583 ( 0.000 0.165 -0.000) 0.165 26.600 ( 0.000 -1.492 -0.000) 1.492 52.545 ( 0.000 11.966 -0.000) 11.966 52.779 ( 0.000 -11.321 -0.000) 11.321 62.234 ( 0.000 -0.743 -0.000) 0.743 62.318 ( 0.000 -0.074 -0.000) 0.074======================= Grid point 361 (133/165) =======================q-point: (-0.41 -0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -0.000 0.474 -9.513) 9.525 1.692 ( -0.000 -8.707 -9.932) 13.208 2.400 ( -0.000 -1.132 -7.255) 7.343 4.233 ( 0.000 -2.505 3.600) 4.386 4.305 ( 0.000 -4.790 4.759) 6.752 4.663 ( 0.000 4.739 5.691) 7.405 4.895 ( -0.000 3.049 -6.327) 7.023 5.168 ( -0.000 -3.704 2.135) 4.275 6.681 ( -0.000 14.557 -14.259) 20.377 12.154 ( 0.000 -1.603 28.113) 28.159 12.629 ( 0.000 -22.112 29.717) 37.040 13.915 ( -0.000 -6.918 -0.615) 6.945 25.348 ( -0.000 0.022 -2.392) 2.392 25.641 ( 0.000 0.804 0.190) 0.826 26.224 ( -0.000 1.016 -1.652) 1.939 26.656 ( 0.000 2.165 -0.010) 2.165 26.717 ( -0.000 -0.501 0.136) 0.520 52.215 ( 0.000 19.319 0.249) 19.321 53.115 ( -0.000 -19.770 2.561) 19.935 62.164 ( -0.000 -1.790 -0.027) 1.790 62.320 ( -0.000 1.101 -0.807) 1.365======================= Grid point 362 (134/165) =======================q-point: (-0.41 -0.21 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 3.639 -3.639 -10.073) 11.311 1.523 ( 6.402 -6.402 -10.358) 13.757 2.395 ( -1.131 1.131 -10.308) 10.431 4.143 ( -1.840 1.840 2.755) 3.790 4.315 ( 6.329 -6.329 5.209) 10.356 4.669 ( -7.853 7.853 2.920) 11.484 5.047 ( 0.206 -0.206 5.227) 5.235 5.050 ( 4.444 -4.444 -7.954) 10.138 6.834 ( -8.397 8.397 -13.225) 17.774 12.193 ( 2.929 -2.929 34.243) 34.492 12.343 ( 10.017 -10.017 29.211) 32.464 13.845 ( 4.318 -4.318 -0.678) 6.144 25.348 ( 0.039 -0.039 -2.651) 2.651 25.648 ( -0.569 0.569 0.240) 0.840 26.234 ( -0.526 0.526 -1.710) 1.865 26.692 ( -0.577 0.577 -0.000) 0.816 26.697 ( -0.373 0.373 0.095) 0.536 52.649 ( -0.253 0.253 0.076) 0.366 52.672 ( 0.497 -0.497 1.999) 2.119 62.147 ( 1.421 -1.421 0.096) 2.012 62.333 ( -0.736 0.736 -0.839) 1.337======================= Grid point 381 (135/165) =======================q-point: (-0.53 -0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( -0.000 3.354 -5.800) 6.700 1.945 ( -0.000 2.417 -8.885) 9.208 2.465 ( 0.000 -2.083 2.521) 3.270 4.224 ( 0.000 -3.197 3.127) 4.472 4.277 ( 0.000 -0.378 5.324) 5.337 4.488 ( 0.000 -2.102 6.859) 7.173 4.916 ( -0.000 5.145 -4.139) 6.603 5.198 ( -0.000 -0.524 -0.343) 0.626 6.664 ( -0.000 14.152 -13.333) 19.444 11.843 ( 0.000 -11.850 17.046) 20.760 12.619 ( 0.000 -28.398 23.514) 36.869 14.061 ( -0.000 -6.656 -0.342) 6.665 25.377 ( -0.000 0.821 -1.441) 1.659 25.626 ( 0.000 0.641 -0.105) 0.649 26.225 ( -0.000 1.502 -1.044) 1.829 26.611 ( 0.000 2.232 -0.001) 2.232 26.725 ( -0.000 -0.500 0.002) 0.500 51.827 ( 0.000 18.860 0.087) 18.860 53.494 ( -0.000 -20.968 -0.527) 20.975 62.198 ( -0.000 -1.416 -0.086) 1.418 62.309 ( 0.000 1.091 -0.304) 1.133======================= Grid point 382 (136/165) =======================q-point: (-0.53 -0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 8.034 1.501 -6.932) 10.717 1.879 ( 1.535 -9.436 -7.780) 12.326 2.466 ( -2.726 4.011 -2.356) 5.392 4.089 ( -4.138 -0.842 2.195) 4.759 4.334 ( 6.649 -3.837 4.660) 8.980 4.439 ( -6.594 3.748 6.254) 9.831 4.927 ( -6.220 5.716 1.425) 8.567 5.279 ( 8.109 -4.188 -5.663) 10.741 6.871 ( -6.036 12.010 -12.014) 18.028 11.679 ( 2.349 -6.756 26.203) 27.162 12.204 ( 12.209 -24.235 21.914) 34.880 13.969 ( 4.292 -6.831 -0.436) 8.079 25.388 ( -0.167 0.441 -1.796) 1.857 25.633 ( -0.658 0.811 -0.048) 1.046 26.247 ( -0.415 1.040 -1.166) 1.616 26.658 ( 0.267 2.168 0.017) 2.185 26.702 ( -1.312 -0.468 0.054) 1.394 52.330 ( 11.779 19.344 0.251) 22.649 52.963 ( -12.374 -19.512 0.374) 23.108 62.179 ( 1.313 -1.820 0.027) 2.244 62.327 ( -0.612 1.162 -0.465) 1.393======================= Grid point 402 (137/165) =======================q-point: ( 0.36 -0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 0.000 6.372 -2.279) 6.767 1.888 ( 0.000 14.967 -3.395) 15.347 2.451 ( 0.000 -2.961 3.649) 4.700 4.137 ( 0.000 1.933 5.130) 5.482 4.240 ( -0.000 -3.359 1.901) 3.859 4.497 ( -0.000 -6.417 2.842) 7.018 4.853 ( 0.000 6.639 -1.594) 6.828 5.207 ( -0.000 0.214 -0.562) 0.601 6.618 ( -0.000 12.377 -8.290) 14.896 11.973 ( -0.000 -22.342 5.381) 22.981 12.837 ( -0.000 -29.187 12.459) 31.735 14.170 ( -0.000 -3.720 -0.099) 3.721 25.370 ( 0.000 1.717 -0.505) 1.789 25.620 ( -0.000 0.159 -0.162) 0.227 26.205 ( 0.000 1.923 -0.419) 1.968 26.575 ( 0.000 1.425 -0.000) 1.425 26.736 ( -0.000 -0.560 -0.098) 0.569 51.524 ( 0.000 11.254 -0.039) 11.254 53.924 ( -0.000 -19.165 -2.483) 19.325 62.220 ( -0.000 -0.641 -0.057) 0.643 62.293 ( 0.000 0.731 -0.021) 0.731======================= Grid point 403 (138/165) =======================q-point: ( 0.36 -0.24 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( 9.089 4.014 -3.161) 10.427 2.115 ( 0.730 3.923 -7.477) 8.475 2.369 ( -1.731 -0.749 5.114) 5.451 4.088 ( -5.230 -2.340 1.274) 5.870 4.180 ( -4.371 4.657 4.921) 8.063 4.430 ( 4.880 -6.423 2.423) 8.423 4.769 ( -14.103 7.707 1.029) 16.104 5.420 ( 13.998 -1.968 -2.930) 14.437 6.823 ( -4.643 12.585 -7.811) 15.523 11.529 ( -3.821 -16.046 12.446) 20.663 12.426 ( 16.973 -30.142 11.039) 36.311 14.110 ( 4.313 -6.582 -0.178) 7.872 25.396 ( -0.237 1.167 -0.763) 1.414 25.620 ( -0.830 0.683 -0.114) 1.081 26.238 ( -0.274 1.550 -0.539) 1.664 26.614 ( 0.240 2.233 0.009) 2.246 26.711 ( -1.373 -0.546 -0.016) 1.478 51.944 ( 11.694 18.806 0.017) 22.145 53.382 ( -12.848 -21.979 -0.896) 25.475 62.212 ( 1.224 -1.510 -0.015) 1.944 62.307 ( -0.613 1.232 -0.080) 1.378======================= Grid point 406 (139/165) =======================q-point: (-0.64 -0.24 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( 3.481 -3.481 -4.391) 6.597 2.058 ( 6.900 -6.900 -3.638) 10.415 2.388 ( -6.373 6.373 1.032) 9.071 4.000 ( -1.666 1.666 1.583) 2.838 4.182 ( -7.132 7.132 3.767) 10.767 4.417 ( 6.891 -6.891 2.556) 10.075 4.704 ( -11.019 11.019 2.422) 15.771 5.545 ( 8.185 -8.185 -3.881) 12.208 6.904 ( -9.575 9.575 -7.360) 15.412 11.319 ( 5.391 -5.391 16.184) 17.890 12.301 ( 25.918 -25.918 9.119) 37.771 14.087 ( 6.825 -6.825 -0.208) 9.654 25.406 ( -0.645 0.645 -0.860) 1.253 25.618 ( -1.008 1.008 -0.096) 1.429 26.251 ( -0.886 0.886 -0.565) 1.374 26.662 ( -0.960 0.960 -0.018) 1.358 26.669 ( -0.816 0.816 0.056) 1.156 52.627 ( -0.259 0.259 0.010) 0.366 52.656 ( 0.343 -0.343 -0.287) 0.564 62.209 ( 1.658 -1.658 0.033) 2.346 62.314 ( -1.158 1.158 -0.093) 1.640======================= Grid point 421 (140/165) =======================q-point: (-0.25 -0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -0.000 0.000 -13.593) 13.593 1.145 ( -0.000 0.000 -13.593) 13.593 2.128 ( -0.000 0.000 -18.150) 18.150 4.250 ( 0.000 -0.000 3.517) 3.517 4.250 ( 0.000 -0.000 3.517) 3.517 4.821 ( -0.000 0.000 -7.099) 7.099 4.821 ( -0.000 0.000 -7.099) 7.099 5.160 ( 0.000 -0.000 12.972) 12.972 6.775 ( -0.000 0.000 -12.569) 12.569 12.794 ( 0.000 -0.000 33.971) 33.971 12.794 ( 0.000 -0.000 33.971) 33.971 13.743 ( -0.000 0.000 -0.866) 0.866 25.289 ( -0.000 0.000 -3.104) 3.104 25.669 ( 0.000 -0.000 0.671) 0.671 26.210 ( -0.000 0.000 -1.984) 1.984 26.703 ( -0.000 0.000 -0.034) 0.034 26.703 ( -0.000 0.000 -0.034) 0.034 52.660 ( 0.000 -0.000 0.300) 0.300 52.660 ( 0.000 -0.000 0.300) 0.300 62.121 ( 0.000 -0.000 0.130) 0.130 62.334 ( -0.000 0.000 -0.785) 0.785======================= Grid point 422 (141/165) =======================q-point: ( 0.25 -0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( 0.000 8.894 0.000) 8.894 1.575 ( 0.000 18.072 0.000) 18.072 2.407 ( 0.000 4.720 0.000) 4.720 4.066 ( -0.000 -0.519 -0.000) 0.519 4.286 ( -0.000 -3.300 -0.000) 3.300 4.594 ( -0.000 -6.061 -0.000) 6.061 4.735 ( 0.000 6.654 0.000) 6.654 5.217 ( -0.000 -0.752 -0.000) 0.752 6.477 ( 0.000 10.280 0.000) 10.280 12.431 ( -0.000 -27.402 -0.000) 27.402 13.264 ( -0.000 -25.434 -0.000) 25.434 14.201 ( 0.000 0.738 0.000) 0.738 25.334 ( 0.000 2.350 0.000) 2.350 25.625 ( -0.000 -0.489 -0.000) 0.489 26.169 ( 0.000 2.076 0.000) 2.076 26.560 ( 0.000 0.030 0.000) 0.030 26.748 ( -0.000 -0.553 -0.000) 0.553 51.416 ( -0.000 -0.430 -0.000) 0.430 54.282 ( -0.000 -13.726 -0.000) 13.726 62.225 ( 0.000 0.087 0.000) 0.087 62.286 ( 0.000 0.021 0.000) 0.021======================= Grid point 423 (142/165) =======================q-point: ( 0.25 -0.25 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( 10.416 6.098 -0.000) 12.070 1.926 ( 0.264 16.832 0.000) 16.834 2.415 ( 0.323 -4.123 -0.000) 4.136 4.049 ( -4.111 2.664 0.000) 4.898 4.136 ( -6.708 -3.441 0.000) 7.539 4.535 ( 5.352 -6.375 -0.000) 8.323 4.604 ( -18.282 7.726 0.000) 19.847 5.473 ( 17.844 -0.756 -0.000) 17.860 6.661 ( -3.799 11.863 0.000) 12.457 11.806 ( -9.155 -22.929 -0.000) 24.689 12.918 ( 18.181 -29.567 -0.000) 34.709 14.215 ( 4.367 -3.702 -0.000) 5.726 25.373 ( -0.173 1.812 0.000) 1.820 25.612 ( -1.020 0.223 0.000) 1.044 26.209 ( -0.083 1.903 0.000) 1.905 26.577 ( 0.242 1.405 0.000) 1.425 26.723 ( -1.445 -0.569 0.000) 1.553 51.642 ( 11.678 11.190 -0.000) 16.174 53.803 ( -14.397 -18.979 0.000) 23.822 62.234 ( 1.160 -0.507 -0.000) 1.266 62.292 ( -0.098 0.106 0.000) 0.145======================= Grid point 426 (143/165) =======================q-point: ( 0.25 -0.25 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( 11.055 2.422 -0.000) 11.317 2.188 ( -3.464 11.578 0.000) 12.085 2.281 ( 1.341 -9.878 -0.000) 9.968 3.950 ( -7.766 2.048 0.000) 8.032 4.036 ( -4.162 3.171 0.000) 5.232 4.458 ( -14.797 10.936 0.000) 18.400 4.524 ( 6.296 -6.581 -0.000) 9.107 5.720 ( 12.602 -5.695 -0.000) 13.829 6.773 ( -8.030 11.072 0.000) 13.677 11.339 ( -0.800 -12.474 -0.000) 12.500 12.778 ( 26.091 -29.551 -0.000) 39.421 14.224 ( 6.898 -6.629 -0.000) 9.567 25.395 ( -0.595 1.173 0.000) 1.315 25.599 ( -1.307 0.928 0.000) 1.603 26.234 ( -0.589 1.313 0.000) 1.439 26.620 ( 0.343 2.250 0.000) 2.276 26.675 ( -2.259 -0.484 0.000) 2.310 52.255 ( 19.301 18.974 -0.000) 27.065 53.055 ( -20.291 -21.343 0.000) 29.449 62.240 ( 1.449 -1.518 -0.000) 2.099 62.291 ( -1.042 1.100 0.000) 1.515======================= Grid point 432 (144/165) =======================q-point: (-0.25 -0.25 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 -2.866) 2.866 2.337 ( 0.000 0.000 2.866) 2.866 3.681 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 -0.000) 0.000 5.062 ( 0.000 0.000 -24.334) 24.334 5.062 ( 0.000 0.000 24.334) 24.334 5.300 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 13.174 ( 0.000 0.000 -28.892) 28.892 13.174 ( 0.000 0.000 28.892) 28.892 14.665 ( 0.000 0.000 0.000) 0.000 25.366 ( 0.000 0.000 0.000) 0.000 25.506 ( 0.000 0.000 0.000) 0.000 26.156 ( 0.000 0.000 0.000) 0.000 26.585 ( 0.000 0.000 -0.183) 0.183 26.585 ( 0.000 0.000 0.183) 0.183 52.666 ( 0.000 0.000 -0.886) 0.886 52.666 ( 0.000 0.000 0.886) 0.886 62.227 ( 0.000 0.000 0.000) 0.000 62.317 ( 0.000 0.000 0.000) 0.000======================= Grid point 444 (145/165) =======================q-point: (-0.36 -0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -0.000 0.120 -11.112) 11.113 1.492 ( -0.000 -9.679 -10.772) 14.481 2.408 ( -0.000 1.034 -11.396) 11.443 4.194 ( 0.000 -1.374 3.668) 3.917 4.218 ( 0.000 -3.605 4.080) 5.445 4.784 ( 0.000 7.265 5.298) 8.992 4.941 ( -0.000 1.672 -6.957) 7.155 5.073 ( -0.000 -6.027 0.945) 6.101 6.919 ( -0.000 9.073 -12.588) 15.517 12.136 ( 0.000 -0.398 32.960) 32.963 12.270 ( 0.000 -13.622 33.338) 36.013 13.802 ( -0.000 -4.315 -0.708) 4.372 25.348 ( -0.000 -0.036 -2.789) 2.790 25.654 ( 0.000 0.522 0.270) 0.588 26.240 ( -0.000 0.590 -1.714) 1.813 26.690 ( 0.000 1.306 -0.008) 1.306 26.707 ( -0.000 -0.381 0.053) 0.385 52.532 ( 0.000 12.130 0.268) 12.133 52.785 ( -0.000 -12.824 1.193) 12.879 62.133 ( -0.000 -1.321 0.030) 1.321 62.340 ( -0.000 0.850 -0.832) 1.190======================= Grid point 465 (146/165) =======================q-point: (-0.48 -0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 452Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( -0.000 2.107 -7.368) 7.663 1.867 ( -0.000 -9.066 -8.331) 12.312 2.494 ( -0.000 4.218 -2.745) 5.032 4.167 ( 0.000 -2.552 3.137) 4.044 4.226 ( 0.000 -4.218 3.490) 5.474 4.518 ( 0.000 4.614 8.219) 9.425 5.005 ( -0.000 3.920 -5.178) 6.494 5.174 ( -0.000 -2.014 -1.692) 2.630 6.931 ( -0.000 12.717 -11.652) 17.247 11.656 ( 0.000 -7.428 23.429) 24.578 12.082 ( 0.000 -25.540 26.666) 36.924 13.925 ( -0.000 -6.817 -0.450) 6.832 25.389 ( -0.000 0.461 -1.891) 1.946 25.639 ( 0.000 0.729 -0.038) 0.730 26.251 ( -0.000 1.123 -1.184) 1.632 26.656 ( 0.000 2.162 0.003) 2.162 26.715 ( -0.000 -0.487 0.048) 0.490 52.211 ( 0.000 19.273 0.162) 19.273 53.089 ( -0.000 -19.641 0.463) 19.647 62.165 ( -0.000 -1.837 -0.058) 1.838 62.333 ( 0.000 1.253 -0.531) 1.360======================= Grid point 468 (147/165) =======================q-point: (-0.48 -0.28 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 445Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( 2.656 -2.656 -7.957) 8.799 1.698 ( 5.501 -5.501 -7.904) 11.090 2.545 ( -3.239 3.239 -5.698) 7.310 4.091 ( -1.143 1.143 2.678) 3.128 4.228 ( 5.458 -5.458 3.842) 8.622 4.556 ( -6.155 6.155 7.489) 11.483 5.021 ( -3.742 3.742 -1.250) 5.437 5.187 ( 4.894 -4.894 -6.290) 9.353 7.063 ( -7.219 7.219 -10.550) 14.681 11.583 ( 3.248 -3.248 28.848) 29.212 11.816 ( 14.470 -14.470 25.228) 32.484 13.857 ( 4.272 -4.272 -0.491) 6.062 25.394 ( -0.192 0.192 -2.082) 2.099 25.646 ( -0.527 0.527 -0.008) 0.745 26.262 ( -0.548 0.548 -1.216) 1.442 26.692 ( -0.575 0.575 -0.005) 0.813 26.695 ( -0.425 0.425 0.060) 0.604 52.648 ( -0.196 0.196 0.711) 0.764 52.648 ( -0.069 0.069 -0.006) 0.098 62.147 ( 1.355 -1.355 0.004) 1.917 62.346 ( -0.783 0.783 -0.605) 1.262======================= Grid point 485 (148/165) =======================q-point: ( 0.41 -0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( -0.000 4.668 -3.280) 5.705 2.109 ( -0.000 3.923 -8.282) 9.164 2.385 ( 0.000 0.216 5.624) 5.628 4.175 ( -0.000 -3.174 1.866) 3.682 4.189 ( 0.000 2.532 3.553) 4.363 4.383 ( 0.000 -4.366 3.818) 5.800 4.978 ( 0.000 6.080 -2.283) 6.495 5.211 ( -0.000 0.094 -0.709) 0.715 6.870 ( 0.000 13.068 -7.847) 15.243 11.583 ( -0.000 -17.510 9.743) 20.038 12.242 ( -0.000 -31.144 14.827) 34.493 14.066 ( -0.000 -6.557 -0.183) 6.559 25.399 ( -0.000 1.211 -0.808) 1.456 25.628 ( 0.000 0.585 -0.117) 0.597 26.240 ( 0.000 1.646 -0.552) 1.737 26.611 ( 0.000 2.229 0.002) 2.229 26.725 ( -0.000 -0.572 -0.025) 0.573 51.826 ( 0.000 18.781 0.029) 18.781 53.512 ( -0.000 -22.419 -0.985) 22.440 62.199 ( -0.000 -1.426 -0.059) 1.427 62.313 ( 0.000 1.288 -0.112) 1.293======================= Grid point 488 (149/165) =======================q-point: (-0.59 -0.29 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 7.783 2.489 -3.966) 9.083 2.001 ( 0.501 -10.765 -4.799) 11.796 2.484 ( -3.334 8.412 0.052) 9.049 4.051 ( -3.597 -1.188 1.606) 4.114 4.262 ( 4.199 -0.710 2.806) 5.100 4.335 ( -3.285 0.881 3.941) 5.206 4.918 ( -10.838 7.436 -0.099) 13.144 5.366 ( 9.915 -3.596 -3.214) 11.026 7.055 ( -5.530 10.699 -6.953) 13.907 11.273 ( -0.460 -10.119 15.444) 18.469 11.863 ( 18.063 -26.735 13.060) 34.808 13.975 ( 4.271 -6.774 -0.230) 8.012 25.415 ( -0.303 0.719 -0.999) 1.268 25.634 ( -0.647 0.778 -0.089) 1.016 26.264 ( -0.446 1.101 -0.601) 1.332 26.658 ( 0.257 2.168 0.010) 2.183 26.701 ( -1.325 -0.481 0.016) 1.410 52.327 ( 11.781 19.279 0.050) 22.594 52.963 ( -12.321 -19.950 -0.176) 23.448 62.179 ( 1.224 -1.820 -0.014) 2.194 62.333 ( -0.724 1.335 -0.212) 1.533======================= Grid point 505 (150/165) =======================q-point: ( 0.30 -0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( 0.000 6.911 0.000) 6.911 1.923 ( 0.000 17.495 0.000) 17.495 2.412 ( -0.000 -3.922 -0.000) 3.922 4.087 ( 0.000 2.510 0.000) 2.510 4.221 ( -0.000 -3.335 -0.000) 3.335 4.469 ( -0.000 -6.682 -0.000) 6.682 4.868 ( 0.000 6.954 0.000) 6.954 5.213 ( 0.000 0.182 0.000) 0.182 6.699 ( 0.000 12.357 0.000) 12.357 11.921 ( -0.000 -24.566 -0.000) 24.566 12.713 ( -0.000 -30.655 -0.000) 30.655 14.171 ( -0.000 -3.671 -0.000) 3.671 25.375 ( 0.000 1.879 0.000) 1.879 25.622 ( 0.000 0.132 0.000) 0.132 26.209 ( 0.000 2.010 0.000) 2.010 26.575 ( 0.000 1.425 0.000) 1.425 26.737 ( -0.000 -0.604 -0.000) 0.604 51.525 ( 0.000 11.216 0.000) 11.216 53.950 ( -0.000 -20.100 -0.000) 20.100 62.220 ( -0.000 -0.636 -0.000) 0.636 62.293 ( 0.000 0.732 0.000) 0.732======================= Grid point 508 (151/165) =======================q-point: ( 0.30 -0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( 9.073 4.461 -0.000) 10.110 2.234 ( -1.372 14.533 0.000) 14.598 2.271 ( 0.032 -10.091 -0.000) 10.091 4.074 ( -5.246 -2.632 0.000) 5.869 4.132 ( -4.355 5.370 0.000) 6.914 4.407 ( 5.327 -6.645 -0.000) 8.517 4.760 ( -15.883 8.240 0.000) 17.893 5.448 ( 14.859 -1.908 -0.000) 14.981 6.900 ( -4.698 12.269 0.000) 13.138 11.407 ( -5.567 -17.783 -0.000) 18.634 12.318 ( 19.798 -31.296 -0.000) 37.032 14.111 ( 4.309 -6.549 -0.000) 7.840 25.404 ( -0.281 1.304 0.000) 1.334 25.621 ( -0.833 0.669 0.000) 1.069 26.243 ( -0.287 1.593 0.000) 1.618 26.614 ( 0.234 2.232 0.000) 2.244 26.711 ( -1.383 -0.572 0.000) 1.496 51.944 ( 11.717 18.789 0.000) 22.143 53.391 ( -12.947 -22.499 -0.000) 25.959 62.213 ( 1.184 -1.502 -0.000) 1.912 62.308 ( -0.639 1.277 0.000) 1.428======================= Grid point 509 (152/165) =======================q-point: ( 0.30 -0.30 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 3.706 -3.706 -0.000) 5.242 2.094 ( 6.779 -6.779 -0.000) 9.587 2.375 ( -7.492 7.492 0.000) 10.595 3.981 ( -1.894 1.894 0.000) 2.678 4.145 ( -6.803 6.803 0.000) 9.622 4.393 ( 6.742 -6.742 -0.000) 9.534 4.683 ( -12.016 12.016 0.000) 16.993 5.582 ( 8.416 -8.416 -0.000) 11.901 6.976 ( -9.374 9.374 0.000) 13.257 11.161 ( 5.601 -5.601 -0.000) 7.922 12.211 ( 27.753 -27.753 -0.000) 39.248 14.089 ( 6.808 -6.808 -0.000) 9.629 25.414 ( -0.737 0.737 0.000) 1.042 25.619 ( -1.005 1.005 0.000) 1.421 26.256 ( -0.910 0.910 0.000) 1.286 26.662 ( -0.961 0.961 0.000) 1.359 26.669 ( -0.817 0.817 0.000) 1.156 52.628 ( -0.180 0.180 0.000) 0.255 52.659 ( 0.403 -0.403 -0.000) 0.570 62.208 ( 1.641 -1.641 -0.000) 2.321 62.315 ( -1.226 1.226 0.000) 1.734======================= Grid point 529 (153/165) =======================q-point: (-0.31 -0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -0.000 0.000 -11.681) 11.681 1.387 ( -0.000 0.000 -11.681) 11.681 2.420 ( -0.000 0.000 -12.675) 12.675 4.181 ( 0.000 -0.000 3.706) 3.706 4.181 ( 0.000 -0.000 3.706) 3.706 4.912 ( 0.000 -0.000 12.730) 12.730 4.958 ( -0.000 0.000 -7.173) 7.173 4.958 ( -0.000 0.000 -7.173) 7.173 7.011 ( -0.000 0.000 -11.852) 11.852 12.133 ( 0.000 -0.000 34.627) 34.627 12.133 ( 0.000 -0.000 34.627) 34.627 13.758 ( -0.000 0.000 -0.739) 0.739 25.347 ( -0.000 0.000 -2.928) 2.928 25.659 ( 0.000 -0.000 0.302) 0.302 26.246 ( -0.000 0.000 -1.708) 1.708 26.703 ( -0.000 0.000 -0.007) 0.007 26.703 ( -0.000 0.000 -0.007) 0.007 52.655 ( 0.000 -0.000 0.268) 0.268 52.655 ( 0.000 -0.000 0.268) 0.268 62.119 ( 0.000 -0.000 0.056) 0.056 62.349 ( -0.000 0.000 -0.795) 0.795======================= Grid point 550 (154/165) =======================q-point: (-0.43 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( -0.000 1.009 -8.401) 8.461 1.676 ( -0.000 -8.715 -8.308) 12.040 2.578 ( -0.000 3.548 -6.672) 7.557 4.128 ( 0.000 -1.435 3.194) 3.501 4.147 ( 0.000 -3.265 3.292) 4.637 4.626 ( 0.000 5.513 8.992) 10.548 5.065 ( -0.000 2.143 -5.907) 6.284 5.123 ( -0.000 -2.925 -4.109) 5.044 7.135 ( -0.000 7.711 -9.913) 12.559 11.550 ( 0.000 -3.484 27.639) 27.858 11.672 ( 0.000 -15.434 28.496) 32.408 13.814 ( -0.000 -4.267 -0.508) 4.297 25.396 ( -0.000 0.197 -2.180) 2.189 25.652 ( 0.000 0.478 0.007) 0.478 26.268 ( -0.000 0.599 -1.224) 1.363 26.690 ( 0.000 1.303 0.008) 1.303 26.707 ( -0.000 -0.321 0.030) 0.323 52.528 ( 0.000 12.119 0.193) 12.121 52.771 ( -0.000 -12.005 0.399) 12.011 62.132 ( -0.000 -1.361 -0.018) 1.362 62.354 ( -0.000 0.858 -0.639) 1.070======================= Grid point 570 (155/165) =======================q-point: (-0.54 -0.34 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( -0.000 3.076 -4.068) 5.100 1.999 ( -0.000 -10.615 -5.213) 11.825 2.517 ( 0.000 9.250 -0.112) 9.251 4.119 ( 0.000 -2.586 1.871) 3.192 4.175 ( -0.000 -3.872 1.877) 4.303 4.386 ( 0.000 4.361 5.125) 6.729 5.085 ( 0.000 4.720 -2.986) 5.586 5.207 ( -0.000 -0.525 -1.432) 1.525 7.110 ( 0.000 11.112 -6.766) 13.010 11.297 ( 0.000 -11.755 13.481) 17.886 11.664 ( -0.000 -27.119 16.152) 31.564 13.932 ( -0.000 -6.758 -0.236) 6.762 25.418 ( -0.000 0.742 -1.045) 1.281 25.641 ( 0.000 0.691 -0.087) 0.697 26.268 ( 0.000 1.178 -0.613) 1.328 26.656 ( 0.000 2.157 0.005) 2.157 26.714 ( -0.000 -0.503 0.011) 0.503 52.209 ( 0.000 19.229 0.077) 19.229 53.088 ( -0.000 -20.116 -0.181) 20.117 62.166 ( -0.000 -1.866 -0.045) 1.866 62.340 ( 0.000 1.408 -0.253) 1.431======================= Grid point 571 (156/165) =======================q-point: (-0.54 -0.34 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( 2.251 -2.251 -4.504) 5.515 1.816 ( 4.966 -4.966 -4.341) 8.256 2.619 ( -4.910 4.910 -2.315) 7.319 4.047 ( -0.832 0.832 1.784) 2.137 4.172 ( 5.127 -5.127 2.037) 7.532 4.431 ( -5.001 5.001 4.916) 8.613 5.054 ( -6.465 6.465 -1.685) 9.296 5.282 ( 4.923 -4.923 -3.536) 7.809 7.223 ( -6.202 6.202 -5.983) 10.617 11.140 ( 3.465 -3.465 16.747) 17.450 11.425 ( 17.323 -17.323 14.926) 28.687 13.864 ( 4.248 -4.248 -0.256) 6.013 25.425 ( -0.335 0.335 -1.146) 1.240 25.647 ( -0.509 0.509 -0.074) 0.723 26.280 ( -0.565 0.565 -0.626) 1.016 26.692 ( -0.563 0.563 -0.004) 0.796 26.694 ( -0.452 0.452 0.032) 0.640 52.640 ( -0.328 0.328 0.164) 0.492 52.649 ( 0.085 -0.085 -0.026) 0.123 62.147 ( 1.337 -1.337 -0.019) 1.891 62.355 ( -0.860 0.860 -0.314) 1.256======================= Grid point 590 (157/165) =======================q-point: ( 0.35 -0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 0.000 5.109 0.000) 5.109 2.246 ( 0.000 15.483 0.000) 15.483 2.272 ( -0.000 -9.963 -0.000) 9.963 4.154 ( 0.000 3.636 0.000) 3.636 4.157 ( -0.000 -3.165 -0.000) 3.165 4.346 ( -0.000 -5.165 -0.000) 5.165 5.000 ( 0.000 6.450 0.000) 6.450 5.218 ( 0.000 0.267 0.000) 0.267 6.947 ( 0.000 12.663 0.000) 12.663 11.488 ( -0.000 -19.589 -0.000) 19.589 12.095 ( -0.000 -32.009 -0.000) 32.009 14.068 ( -0.000 -6.523 -0.000) 6.523 25.407 ( 0.000 1.345 0.000) 1.345 25.629 ( 0.000 0.568 0.000) 0.568 26.246 ( 0.000 1.690 0.000) 1.690 26.611 ( 0.000 2.227 0.000) 2.227 26.725 ( -0.000 -0.601 -0.000) 0.601 51.826 ( 0.000 18.751 0.000) 18.751 53.522 ( -0.000 -23.005 -0.000) 23.005 62.200 ( -0.000 -1.429 -0.000) 1.429 62.314 ( 0.000 1.357 0.000) 1.357======================= Grid point 591 (158/165) =======================q-point: ( 0.35 -0.35 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 7.810 2.831 -0.000) 8.307 2.049 ( 0.029 -11.882 -0.000) 11.882 2.481 ( -3.514 10.628 0.000) 11.194 4.035 ( -3.579 -1.290 0.000) 3.804 4.234 ( 2.367 1.468 -0.000) 2.785 4.298 ( -1.132 -1.173 0.000) 1.631 4.920 ( -12.224 8.090 0.000) 14.658 5.397 ( 10.394 -3.400 -0.000) 10.936 7.122 ( -5.367 10.185 0.000) 11.512 11.122 ( -1.403 -11.240 -0.000) 11.327 11.735 ( 20.123 -27.662 -0.000) 34.207 13.977 ( 4.265 -6.756 -0.000) 7.990 25.424 ( -0.347 0.814 0.000) 0.885 25.635 ( -0.645 0.769 0.000) 1.004 26.270 ( -0.459 1.121 0.000) 1.211 26.658 ( 0.255 2.167 0.000) 2.182 26.701 ( -1.330 -0.489 0.000) 1.417 52.327 ( 11.828 19.267 0.000) 22.608 52.966 ( -12.335 -20.190 -0.000) 23.660 62.179 ( 1.199 -1.820 -0.000) 2.180 62.335 ( -0.766 1.402 0.000) 1.598======================= Grid point 631 (159/165) =======================q-point: (-0.38 -0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.583 ( -0.000 0.000 -8.764) 8.764 1.583 ( -0.000 0.000 -8.764) 8.764 2.614 ( -0.000 0.000 -7.876) 7.876 4.114 ( 0.000 -0.000 3.226) 3.226 4.114 ( 0.000 -0.000 3.226) 3.226 4.690 ( 0.000 -0.000 10.308) 10.308 5.086 ( -0.000 0.000 -6.169) 6.169 5.086 ( -0.000 0.000 -6.169) 6.169 7.213 ( -0.000 0.000 -9.165) 9.165 11.517 ( 0.000 -0.000 29.107) 29.107 11.517 ( 0.000 -0.000 29.107) 29.107 13.771 ( -0.000 0.000 -0.526) 0.526 25.397 ( -0.000 0.000 -2.280) 2.280 25.657 ( 0.000 -0.000 0.024) 0.024 26.274 ( -0.000 0.000 -1.226) 1.226 26.703 ( 0.000 -0.000 0.010) 0.010 26.703 ( 0.000 -0.000 0.010) 0.010 52.650 ( 0.000 -0.000 0.199) 0.199 52.650 ( 0.000 -0.000 0.199) 0.199 62.118 ( 0.000 -0.000 0.001) 0.001 62.363 ( -0.000 0.000 -0.659) 0.659======================= Grid point 654 (160/165) =======================q-point: (-0.49 -0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.698 ( -0.000 1.532 -4.584) 4.833 1.800 ( -0.000 -8.377 -4.620) 9.566 2.668 ( 0.000 5.621 -2.938) 6.343 4.078 ( 0.000 -1.482 1.906) 2.414 4.097 ( -0.000 -3.266 1.896) 3.776 4.484 ( 0.000 4.593 5.413) 7.099 5.157 ( -0.000 2.606 -3.519) 4.379 5.193 ( -0.000 -0.821 -2.821) 2.938 7.285 ( -0.000 6.468 -5.541) 8.517 11.126 ( 0.000 -5.824 16.011) 17.037 11.232 ( 0.000 -16.145 16.749) 23.264 13.821 ( -0.000 -4.241 -0.263) 4.249 25.428 ( -0.000 0.345 -1.196) 1.244 25.653 ( 0.000 0.456 -0.069) 0.462 26.286 ( -0.000 0.608 -0.632) 0.877 26.690 ( 0.000 1.300 0.009) 1.300 26.706 ( -0.000 -0.306 0.015) 0.306 52.525 ( 0.000 12.104 0.100) 12.105 52.767 ( -0.000 -11.960 0.078) 11.961 62.133 ( -0.000 -1.387 -0.024) 1.387 62.364 ( 0.000 0.919 -0.348) 0.983======================= Grid point 674 (161/165) =======================q-point: ( 0.40 -0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 0.000 3.401 0.000) 3.401 2.051 ( -0.000 -11.876 -0.000) 11.876 2.515 ( 0.000 11.784 0.000) 11.784 4.100 ( -0.000 -2.600 -0.000) 2.600 4.156 ( -0.000 -3.760 -0.000) 3.760 4.336 ( 0.000 4.284 0.000) 4.284 5.114 ( 0.000 5.058 0.000) 5.058 5.221 ( 0.000 0.033 0.000) 0.033 7.176 ( 0.000 10.458 0.000) 10.458 11.166 ( -0.000 -13.378 -0.000) 13.378 11.505 ( -0.000 -27.529 -0.000) 27.529 13.934 ( -0.000 -6.739 -0.000) 6.739 25.428 ( 0.000 0.839 0.000) 0.839 25.642 ( 0.000 0.680 0.000) 0.680 26.274 ( 0.000 1.194 0.000) 1.194 26.655 ( 0.000 2.154 0.000) 2.154 26.714 ( -0.000 -0.512 -0.000) 0.512 52.208 ( 0.000 19.212 0.000) 19.212 53.090 ( -0.000 -20.382 -0.000) 20.382 62.167 ( -0.000 -1.876 -0.000) 1.876 62.343 ( 0.000 1.474 0.000) 1.474======================= Grid point 677 (162/165) =======================q-point: ( 0.40 0.60 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 2.173 -2.173 -0.000) 3.072 1.858 ( 4.790 -4.790 -0.000) 6.774 2.640 ( -5.578 5.578 0.000) 7.888 4.029 ( -0.788 0.788 0.000) 1.114 4.152 ( 5.063 -5.063 -0.000) 7.160 4.383 ( -4.658 4.658 0.000) 6.588 5.072 ( -7.350 7.350 0.000) 10.394 5.316 ( 4.869 -4.869 -0.000) 6.886 7.281 ( -5.781 5.781 0.000) 8.176 10.977 ( 3.551 -3.551 -0.000) 5.021 11.279 ( 18.302 -18.302 -0.000) 25.883 13.866 ( 4.241 -4.241 -0.000) 5.998 25.436 ( -0.384 0.384 0.000) 0.543 25.648 ( -0.504 0.504 0.000) 0.712 26.286 ( -0.572 0.572 0.000) 0.809 26.692 ( -0.557 0.557 0.000) 0.787 26.694 ( -0.460 0.460 0.000) 0.650 52.639 ( -0.320 0.320 0.000) 0.453 52.649 ( 0.146 -0.146 -0.000) 0.206 62.147 ( 1.334 -1.334 -0.000) 1.886 62.358 ( -0.896 0.896 0.000) 1.267======================= Grid point 738 (163/165) =======================q-point: (-0.44 -0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( -0.000 0.000 -4.765) 4.765 1.713 ( -0.000 0.000 -4.765) 4.765 2.724 ( -0.000 0.000 -3.743) 3.743 4.063 ( 0.000 -0.000 1.926) 1.926 4.063 ( 0.000 -0.000 1.926) 1.926 4.534 ( 0.000 -0.000 5.811) 5.811 5.183 ( -0.000 0.000 -3.718) 3.718 5.183 ( -0.000 0.000 -3.718) 3.718 7.349 ( -0.000 0.000 -4.978) 4.978 11.070 ( 0.000 -0.000 16.906) 16.906 11.070 ( 0.000 -0.000 16.906) 16.906 13.778 ( -0.000 0.000 -0.271) 0.271 25.431 ( -0.000 0.000 -1.248) 1.248 25.657 ( -0.000 0.000 -0.062) 0.062 26.292 ( -0.000 0.000 -0.634) 0.634 26.703 ( 0.000 -0.000 0.011) 0.011 26.703 ( 0.000 -0.000 0.011) 0.011 52.647 ( 0.000 -0.000 0.105) 0.105 52.647 ( 0.000 -0.000 0.105) 0.105 62.118 ( -0.000 0.000 -0.015) 0.015 62.373 ( -0.000 0.000 -0.376) 0.376======================= Grid point 763 (164/165) =======================q-point: ( 0.45 0.55 -0.55)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( 0.000 1.707 0.000) 1.707 1.845 ( -0.000 -8.338 -0.000) 8.338 2.695 ( 0.000 6.469 0.000) 6.469 4.060 ( -0.000 -1.500 -0.000) 1.500 4.078 ( -0.000 -3.302 -0.000) 3.302 4.432 ( 0.000 4.334 0.000) 4.334 5.192 ( 0.000 2.809 0.000) 2.809 5.220 ( -0.000 -0.084 -0.000) 0.084 7.338 ( 0.000 5.923 0.000) 5.923 10.970 ( -0.000 -6.717 -0.000) 6.717 11.068 ( -0.000 -16.279 -0.000) 16.279 13.823 ( -0.000 -4.234 -0.000) 4.234 25.440 ( 0.000 0.395 0.000) 0.395 25.653 ( 0.000 0.451 0.000) 0.451 26.292 ( 0.000 0.612 0.000) 0.612 26.690 ( 0.000 1.299 0.000) 1.299 26.706 ( -0.000 -0.304 -0.000) 0.304 52.524 ( 0.000 12.098 0.000) 12.098 52.767 ( -0.000 -12.024 -0.000) 12.024 62.133 ( -0.000 -1.396 -0.000) 1.396 62.367 ( 0.000 0.951 0.000) 0.951======================= Grid point 846 (165/165) =======================q-point: ( 0.50 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.39e-05 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 0.000 0.000 0.000) 0.000 1.759 ( 0.000 0.000 0.000) 0.000 2.759 ( -0.000 -0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.477 ( -0.000 -0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 7.397 ( -0.000 -0.000 0.000) 0.000 10.905 ( 0.000 -0.000 0.000) 0.000 10.905 ( -0.000 -0.000 0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 25.443 ( -0.000 -0.000 0.000) 0.000 25.658 ( 0.000 0.000 0.000) 0.000 26.298 ( -0.000 -0.000 0.000) 0.000 26.703 ( 0.000 0.000 0.000) 0.000 26.703 ( 0.000 0.000 0.000) 0.000 52.646 ( 0.000 0.000 0.000) 0.000 52.646 ( 0.000 0.000 0.000) 0.000 62.119 ( 0.000 0.000 0.000) 0.000 62.377 ( 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 3/33600 10.0 1616.824 1616.824 1376.612 -0.000 0.000 0.000 3/33600 20.0 569.517 569.517 515.869 -0.000 0.000 0.000 3/33600 30.0 272.994 272.994 227.819 0.000 0.000 0.000 3/33600 40.0 138.228 138.228 110.670 0.000 0.000 0.000 3/33600 50.0 81.182 81.182 63.586 0.000 0.000 0.000 3/33600 60.0 54.332 54.332 42.134 0.000 0.000 0.000 3/33600 70.0 39.787 39.787 30.736 0.000 0.000 0.000 3/33600 80.0 30.925 30.925 23.852 0.000 0.000 0.000 3/33600 90.0 25.034 25.034 19.284 0.000 0.000 0.000 3/33600 100.0 20.869 20.869 16.050 0.000 0.000 0.000 3/33600 110.0 17.792 17.792 13.658 0.000 0.000 0.000 3/33600 120.0 15.443 15.443 11.830 0.000 0.000 0.000 3/33600 130.0 13.603 13.603 10.400 0.000 0.000 0.000 3/33600 140.0 12.132 12.132 9.257 0.000 0.000 0.000 3/33600 150.0 10.935 10.935 8.329 0.000 0.000 0.000 3/33600 160.0 9.945 9.945 7.564 0.000 0.000 0.000 3/33600 170.0 9.116 9.116 6.924 0.000 0.000 0.000 3/33600 180.0 8.416 8.416 6.384 0.000 0.000 0.000 3/33600 190.0 7.821 7.821 5.923 0.000 0.000 0.000 3/33600 200.0 7.313 7.313 5.527 0.000 0.000 0.000 3/33600 210.0 6.883 6.883 5.186 0.000 0.000 0.000 3/33600 220.0 6.523 6.523 4.892 0.000 0.000 0.000 3/33600 230.0 6.229 6.229 4.640 0.000 0.000 0.000 3/33600 240.0 5.998 5.998 4.425 0.000 0.000 0.000 3/33600 250.0 5.831 5.831 4.245 0.000 0.000 0.000 3/33600 260.0 5.729 5.729 4.098 0.000 0.000 0.000 3/33600 270.0 5.694 5.694 3.983 0.000 0.000 0.000 3/33600 280.0 5.727 5.727 3.899 0.000 0.000 0.000 3/33600 290.0 5.830 5.830 3.845 0.000 0.000 0.000 3/33600 300.0 6.005 6.005 3.822 0.000 0.000 0.000 3/33600 310.0 6.252 6.252 3.827 0.000 0.000 0.000 3/33600 320.0 6.573 6.573 3.862 0.000 0.000 0.000 3/33600 330.0 6.967 6.967 3.924 0.000 0.000 0.000 3/33600 340.0 7.433 7.433 4.014 0.000 0.000 0.000 3/33600 350.0 7.969 7.969 4.131 0.000 0.000 0.000 3/33600 360.0 8.573 8.573 4.272 0.000 0.000 0.000 3/33600 370.0 9.243 9.243 4.438 0.000 0.000 0.000 3/33600 380.0 9.975 9.975 4.626 0.000 0.000 0.000 3/33600 390.0 10.765 10.765 4.836 0.000 0.000 0.000 3/33600 400.0 11.609 11.609 5.065 0.000 0.000 0.000 3/33600 410.0 12.503 12.503 5.312 0.000 0.000 0.000 3/33600 420.0 13.442 13.442 5.575 0.000 0.000 0.000 3/33600 430.0 14.421 14.421 5.854 0.000 0.000 0.000 3/33600 440.0 15.436 15.436 6.145 0.000 0.000 0.000 3/33600 450.0 16.482 16.482 6.448 0.000 0.000 0.000 3/33600 460.0 17.554 17.554 6.760 0.000 0.000 0.000 3/33600 470.0 18.647 18.647 7.081 0.000 0.000 0.000 3/33600 480.0 19.758 19.758 7.409 0.000 0.000 0.000 3/33600 490.0 20.882 20.882 7.742 0.000 0.000 0.000 3/33600 500.0 22.014 22.014 8.079 0.000 0.000 0.000 3/33600 510.0 23.151 23.151 8.418 0.000 0.000 0.000 3/33600 520.0 24.290 24.290 8.759 0.000 0.000 0.000 3/33600 530.0 25.426 25.426 9.100 0.000 0.000 0.000 3/33600 540.0 26.558 26.558 9.440 0.000 0.000 0.000 3/33600 550.0 27.682 27.682 9.779 0.000 0.000 0.000 3/33600 560.0 28.794 28.794 10.115 0.000 0.000 0.000 3/33600 570.0 29.894 29.894 10.447 0.000 0.000 0.000 3/33600 580.0 30.979 30.979 10.776 0.000 0.000 0.000 3/33600 590.0 32.047 32.047 11.099 0.000 0.000 0.000 3/33600 600.0 33.096 33.096 11.418 0.000 0.000 0.000 3/33600 610.0 34.125 34.125 11.730 0.000 0.000 0.000 3/33600 620.0 35.132 35.132 12.036 0.000 0.000 0.000 3/33600 630.0 36.116 36.116 12.335 0.000 0.000 0.000 3/33600 640.0 37.076 37.076 12.628 0.000 0.000 0.000 3/33600 650.0 38.012 38.012 12.912 0.000 0.000 0.000 3/33600 660.0 38.923 38.923 13.190 0.000 0.000 0.000 3/33600 670.0 39.809 39.809 13.459 0.000 0.000 0.000 3/33600 680.0 40.668 40.668 13.721 0.000 0.000 0.000 3/33600 690.0 41.500 41.500 13.974 0.000 0.000 0.000 3/33600 700.0 42.307 42.307 14.220 0.000 0.000 0.000 3/33600 710.0 43.086 43.086 14.457 0.000 0.000 0.000 3/33600 720.0 43.839 43.839 14.686 0.000 0.000 0.000 3/33600 730.0 44.566 44.566 14.907 0.000 0.000 0.000 3/33600 740.0 45.266 45.266 15.120 0.000 0.000 0.000 3/33600 750.0 45.940 45.940 15.325 0.000 0.000 0.000 3/33600 760.0 46.588 46.588 15.522 0.000 0.000 0.000 3/33600 770.0 47.210 47.210 15.711 0.000 0.000 0.000 3/33600 780.0 47.807 47.807 15.893 0.000 0.000 0.000 3/33600 790.0 48.379 48.379 16.066 0.000 0.000 0.000 3/33600 800.0 48.927 48.927 16.232 0.000 0.000 0.000 3/33600 810.0 49.451 49.451 16.391 0.000 0.000 0.000 3/33600 820.0 49.952 49.952 16.542 0.000 0.000 0.000 3/33600 830.0 50.429 50.429 16.686 0.000 0.000 0.000 3/33600 840.0 50.885 50.885 16.824 0.000 0.000 0.000 3/33600 850.0 51.318 51.318 16.954 0.000 0.000 0.000 3/33600 860.0 51.729 51.729 17.078 0.000 0.000 0.000 3/33600 870.0 52.120 52.120 17.196 0.000 0.000 0.000 3/33600 880.0 52.491 52.491 17.307 0.000 0.000 0.000 3/33600 890.0 52.842 52.842 17.412 0.000 0.000 0.000 3/33600 900.0 53.173 53.173 17.511 0.000 0.000 0.000 3/33600 910.0 53.486 53.486 17.604 0.000 0.000 0.000 3/33600 920.0 53.781 53.781 17.691 0.000 0.000 0.000 3/33600 930.0 54.058 54.058 17.773 0.000 0.000 0.000 3/33600 940.0 54.318 54.318 17.850 0.000 0.000 0.000 3/33600 950.0 54.561 54.561 17.922 0.000 0.000 0.000 3/33600 960.0 54.789 54.789 17.988 0.000 0.000 0.000 3/33600 970.0 55.001 55.001 18.050 0.000 0.000 0.000 3/33600 980.0 55.198 55.198 18.107 0.000 0.000 0.000 3/33600 990.0 55.380 55.380 18.160 0.000 0.000 0.000 3/33600 1000.0 55.548 55.548 18.208 0.000 0.000 0.000 3/33600Thermal conductivity related properties were written into "kappa-m21080.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:57:52]------------------------- _ 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