# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/6424164a-bee3-47f0-bc14-83f8840c68a1/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 AlN / P6_3mc (186) / materials id 661](https://mdr.nims.go.jp/datasets/aa0584a1-10b5-4420-9aeb-55ba9a346fae) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 18:35:18]-------------------------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: [4 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3mc (186)Number of symmetry operations in supercell: 384------------------------------ primitive cell ------------------------------Lattice vectors: a 3.113697629926322 0.000000000000000 0.000000000000000 b -1.556848814963161 2.696541247219593 0.000000000000000 c 0.000000000000000 0.000000000000000 4.983216740000000Atomic positions (fractional): *1 N 0.66666666666667 0.33333333333333 0.88100140105580 14.007 2 N 0.33333333333333 0.66666666666667 0.38100140105580 14.007 *3 Al 0.66666666666667 0.33333333333333 0.49899859894420 26.982 4 Al 0.33333333333333 0.66666666666667 0.99899859894420 26.982-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.113697629926322 0.000000000000000 0.000000000000000 b -1.556848814963161 2.696541247219593 0.000000000000000 c 0.000000000000000 0.000000000000000 4.983216740000000Atomic positions (fractional): *1 N 0.66666666666667 0.33333333333333 0.88100140105580 14.007 > 1 2 N 0.33333333333333 0.66666666666667 0.38100140105580 14.007 > 2 *3 Al 0.66666666666667 0.33333333333333 0.49899859894420 26.982 > 3 4 Al 0.33333333333333 0.66666666666667 0.99899859894420 26.982 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.454790519705288 0.000000000000000 0.000000000000000 b -6.227395259852644 10.786164988878372 0.000000000000000 c 0.000000000000000 0.000000000000000 9.966433479999999Atomic positions (fractional): *1 N 0.16666666666667 0.08333333333333 0.44050070052790 14.007 > 1 2 N 0.41666666666667 0.08333333333333 0.44050070052790 14.007 > 1 3 N 0.66666666666667 0.08333333333333 0.44050070052790 14.007 > 1 4 N 0.91666666666667 0.08333333333333 0.44050070052790 14.007 > 1 5 N 0.16666666666667 0.33333333333333 0.44050070052790 14.007 > 1 6 N 0.41666666666667 0.33333333333333 0.44050070052790 14.007 > 1 7 N 0.66666666666667 0.33333333333333 0.44050070052790 14.007 > 1 8 N 0.91666666666667 0.33333333333333 0.44050070052790 14.007 > 1 9 N 0.16666666666667 0.58333333333333 0.44050070052790 14.007 > 1 10 N 0.41666666666667 0.58333333333333 0.44050070052790 14.007 > 1 11 N 0.66666666666667 0.58333333333333 0.44050070052790 14.007 > 1 12 N 0.91666666666667 0.58333333333333 0.44050070052790 14.007 > 1 13 N 0.16666666666667 0.83333333333333 0.44050070052790 14.007 > 1 14 N 0.41666666666667 0.83333333333333 0.44050070052790 14.007 > 1 15 N 0.66666666666667 0.83333333333333 0.44050070052790 14.007 > 1 16 N 0.91666666666667 0.83333333333333 0.44050070052790 14.007 > 1 17 N 0.16666666666667 0.08333333333333 0.94050070052790 14.007 > 1 18 N 0.41666666666667 0.08333333333333 0.94050070052790 14.007 > 1 19 N 0.66666666666667 0.08333333333333 0.94050070052790 14.007 > 1 20 N 0.91666666666667 0.08333333333333 0.94050070052790 14.007 > 1 21 N 0.16666666666667 0.33333333333333 0.94050070052790 14.007 > 1 22 N 0.41666666666667 0.33333333333333 0.94050070052790 14.007 > 1 23 N 0.66666666666667 0.33333333333333 0.94050070052790 14.007 > 1 24 N 0.91666666666667 0.33333333333333 0.94050070052790 14.007 > 1 25 N 0.16666666666667 0.58333333333333 0.94050070052790 14.007 > 1 26 N 0.41666666666667 0.58333333333333 0.94050070052790 14.007 > 1 27 N 0.66666666666667 0.58333333333333 0.94050070052790 14.007 > 1 28 N 0.91666666666667 0.58333333333333 0.94050070052790 14.007 > 1 29 N 0.16666666666667 0.83333333333333 0.94050070052790 14.007 > 1 30 N 0.41666666666667 0.83333333333333 0.94050070052790 14.007 > 1 31 N 0.66666666666667 0.83333333333333 0.94050070052790 14.007 > 1 32 N 0.91666666666667 0.83333333333333 0.94050070052790 14.007 > 1 33 N 0.08333333333333 0.16666666666667 0.19050070052790 14.007 > 2 34 N 0.33333333333333 0.16666666666667 0.19050070052790 14.007 > 2 35 N 0.58333333333333 0.16666666666667 0.19050070052790 14.007 > 2 36 N 0.83333333333333 0.16666666666667 0.19050070052790 14.007 > 2 37 N 0.08333333333333 0.41666666666667 0.19050070052790 14.007 > 2 38 N 0.33333333333333 0.41666666666667 0.19050070052790 14.007 > 2 39 N 0.58333333333333 0.41666666666667 0.19050070052790 14.007 > 2 40 N 0.83333333333333 0.41666666666667 0.19050070052790 14.007 > 2 41 N 0.08333333333333 0.66666666666667 0.19050070052790 14.007 > 2 42 N 0.33333333333333 0.66666666666667 0.19050070052790 14.007 > 2 43 N 0.58333333333333 0.66666666666667 0.19050070052790 14.007 > 2 44 N 0.83333333333333 0.66666666666667 0.19050070052790 14.007 > 2 45 N 0.08333333333333 0.91666666666667 0.19050070052790 14.007 > 2 46 N 0.33333333333333 0.91666666666667 0.19050070052790 14.007 > 2 47 N 0.58333333333333 0.91666666666667 0.19050070052790 14.007 > 2 48 N 0.83333333333333 0.91666666666667 0.19050070052790 14.007 > 2 49 N 0.08333333333333 0.16666666666667 0.69050070052790 14.007 > 2 50 N 0.33333333333333 0.16666666666667 0.69050070052790 14.007 > 2 51 N 0.58333333333333 0.16666666666667 0.69050070052790 14.007 > 2 52 N 0.83333333333333 0.16666666666667 0.69050070052790 14.007 > 2 53 N 0.08333333333333 0.41666666666667 0.69050070052790 14.007 > 2 54 N 0.33333333333333 0.41666666666667 0.69050070052790 14.007 > 2 55 N 0.58333333333333 0.41666666666667 0.69050070052790 14.007 > 2 56 N 0.83333333333333 0.41666666666667 0.69050070052790 14.007 > 2 57 N 0.08333333333333 0.66666666666667 0.69050070052790 14.007 > 2 58 N 0.33333333333333 0.66666666666667 0.69050070052790 14.007 > 2 59 N 0.58333333333333 0.66666666666667 0.69050070052790 14.007 > 2 60 N 0.83333333333333 0.66666666666667 0.69050070052790 14.007 > 2 61 N 0.08333333333333 0.91666666666667 0.69050070052790 14.007 > 2 62 N 0.33333333333333 0.91666666666667 0.69050070052790 14.007 > 2 63 N 0.58333333333333 0.91666666666667 0.69050070052790 14.007 > 2 64 N 0.83333333333333 0.91666666666667 0.69050070052790 14.007 > 2 *65 Al 0.16666666666667 0.08333333333333 0.24949929947210 26.982 > 3 66 Al 0.41666666666667 0.08333333333333 0.24949929947210 26.982 > 3 67 Al 0.66666666666667 0.08333333333333 0.24949929947210 26.982 > 3 68 Al 0.91666666666667 0.08333333333333 0.24949929947210 26.982 > 3 69 Al 0.16666666666667 0.33333333333333 0.24949929947210 26.982 > 3 70 Al 0.41666666666667 0.33333333333333 0.24949929947210 26.982 > 3 71 Al 0.66666666666667 0.33333333333333 0.24949929947210 26.982 > 3 72 Al 0.91666666666667 0.33333333333333 0.24949929947210 26.982 > 3 73 Al 0.16666666666667 0.58333333333333 0.24949929947210 26.982 > 3 74 Al 0.41666666666667 0.58333333333333 0.24949929947210 26.982 > 3 75 Al 0.66666666666667 0.58333333333333 0.24949929947210 26.982 > 3 76 Al 0.91666666666667 0.58333333333333 0.24949929947210 26.982 > 3 77 Al 0.16666666666667 0.83333333333333 0.24949929947210 26.982 > 3 78 Al 0.41666666666667 0.83333333333333 0.24949929947210 26.982 > 3 79 Al 0.66666666666667 0.83333333333333 0.24949929947210 26.982 > 3 80 Al 0.91666666666667 0.83333333333333 0.24949929947210 26.982 > 3 81 Al 0.16666666666667 0.08333333333333 0.74949929947210 26.982 > 3 82 Al 0.41666666666667 0.08333333333333 0.74949929947210 26.982 > 3 83 Al 0.66666666666667 0.08333333333333 0.74949929947210 26.982 > 3 84 Al 0.91666666666667 0.08333333333333 0.74949929947210 26.982 > 3 85 Al 0.16666666666667 0.33333333333333 0.74949929947210 26.982 > 3 86 Al 0.41666666666667 0.33333333333333 0.74949929947210 26.982 > 3 87 Al 0.66666666666667 0.33333333333333 0.74949929947210 26.982 > 3 88 Al 0.91666666666667 0.33333333333333 0.74949929947210 26.982 > 3 89 Al 0.16666666666667 0.58333333333333 0.74949929947210 26.982 > 3 90 Al 0.41666666666667 0.58333333333333 0.74949929947210 26.982 > 3 91 Al 0.66666666666667 0.58333333333333 0.74949929947210 26.982 > 3 92 Al 0.91666666666667 0.58333333333333 0.74949929947210 26.982 > 3 93 Al 0.16666666666667 0.83333333333333 0.74949929947210 26.982 > 3 94 Al 0.41666666666667 0.83333333333333 0.74949929947210 26.982 > 3 95 Al 0.66666666666667 0.83333333333333 0.74949929947210 26.982 > 3 96 Al 0.91666666666667 0.83333333333333 0.74949929947210 26.982 > 3 97 Al 0.08333333333333 0.16666666666667 0.49949929947210 26.982 > 4 98 Al 0.33333333333333 0.16666666666667 0.49949929947210 26.982 > 4 99 Al 0.58333333333333 0.16666666666667 0.49949929947210 26.982 > 4 100 Al 0.83333333333333 0.16666666666667 0.49949929947210 26.982 > 4 101 Al 0.08333333333333 0.41666666666667 0.49949929947210 26.982 > 4 102 Al 0.33333333333333 0.41666666666667 0.49949929947210 26.982 > 4 103 Al 0.58333333333333 0.41666666666667 0.49949929947210 26.982 > 4 104 Al 0.83333333333333 0.41666666666667 0.49949929947210 26.982 > 4 105 Al 0.08333333333333 0.66666666666667 0.49949929947210 26.982 > 4 106 Al 0.33333333333333 0.66666666666667 0.49949929947210 26.982 > 4 107 Al 0.58333333333333 0.66666666666667 0.49949929947210 26.982 > 4 108 Al 0.83333333333333 0.66666666666667 0.49949929947210 26.982 > 4 109 Al 0.08333333333333 0.91666666666667 0.49949929947210 26.982 > 4 110 Al 0.33333333333333 0.91666666666667 0.49949929947210 26.982 > 4 111 Al 0.58333333333333 0.91666666666667 0.49949929947210 26.982 > 4 112 Al 0.83333333333333 0.91666666666667 0.49949929947210 26.982 > 4 113 Al 0.08333333333333 0.16666666666667 0.99949929947210 26.982 > 4 114 Al 0.33333333333333 0.16666666666667 0.99949929947210 26.982 > 4 115 Al 0.58333333333333 0.16666666666667 0.99949929947210 26.982 > 4 116 Al 0.83333333333333 0.16666666666667 0.99949929947210 26.982 > 4 117 Al 0.08333333333333 0.41666666666667 0.99949929947210 26.982 > 4 118 Al 0.33333333333333 0.41666666666667 0.99949929947210 26.982 > 4 119 Al 0.58333333333333 0.41666666666667 0.99949929947210 26.982 > 4 120 Al 0.83333333333333 0.41666666666667 0.99949929947210 26.982 > 4 121 Al 0.08333333333333 0.66666666666667 0.99949929947210 26.982 > 4 122 Al 0.33333333333333 0.66666666666667 0.99949929947210 26.982 > 4 123 Al 0.58333333333333 0.66666666666667 0.99949929947210 26.982 > 4 124 Al 0.83333333333333 0.66666666666667 0.99949929947210 26.982 > 4 125 Al 0.08333333333333 0.91666666666667 0.99949929947210 26.982 > 4 126 Al 0.33333333333333 0.91666666666667 0.99949929947210 26.982 > 4 127 Al 0.58333333333333 0.91666666666667 0.99949929947210 26.982 > 4 128 Al 0.83333333333333 0.91666666666667 0.99949929947210 26.982 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5038917 0.0000000 0.0000000 -0.0000000 4.5038917 0.0000000 0.0000000 0.0000000 4.7169688-------------------------- Born effective charges -------------------------- 1 N -2.5157638 -0.0000000 0.0000000 0.0000000 -2.5157638 0.0000000 0.0000000 0.0000000 -2.6773768 2 N -2.5157638 -0.0000000 0.0000000 0.0000000 -2.5157638 0.0000000 0.0000000 0.0000000 -2.6773768 3 Al 2.5157638 0.0000000 0.0000000 -0.0000000 2.5157638 0.0000000 0.0000000 0.0000000 2.6773768 4 Al 2.5157638 0.0000000 0.0000000 -0.0000000 2.5157638 0.0000000 0.0000000 0.0000000 2.6773768----------------------------------------------------------------------------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: 384/384Permutation basis: 2856/2856Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 172Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 11--- Eigsh_solver_block: 1 / 11 ---Block_size: 98Use standard eigh solver.--- Eigsh_solver_block: 2 / 11 ---Block_size: 72Use standard eigh solver.--- Eigsh_solver_block: 3 / 11 ---Block_size: 46Use standard eigh solver.--- Eigsh_solver_block: 4 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 5 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 6 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 7 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 8 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 9 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 10 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 11 / 11 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (224, 220), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (46, 44), data: True|-- (72, 72), data: True|-- (98, 96), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.010Solver_block: 80 / 80 - Time: 0.188Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.199--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384Permutation basis: 2856/2856Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 172Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 11--- Eigsh_solver_block: 1 / 11 ---Block_size: 98Use standard eigh solver.--- Eigsh_solver_block: 2 / 11 ---Block_size: 72Use standard eigh solver.--- Eigsh_solver_block: 3 / 11 ---Block_size: 46Use standard eigh solver.--- Eigsh_solver_block: 4 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 5 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 6 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 7 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 8 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 9 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 10 / 11 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 11 / 11 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (224, 220), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (46, 44), data: True|-- (72, 72), data: True|-- (98, 96), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 18:35:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 18:35:23]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [4 4 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3mc (186)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.113697629926322 0.000000000000000 0.000000000000000 b -1.556848814963161 2.696541247219593 0.000000000000000 c 0.000000000000000 0.000000000000000 4.983216740000000Atomic positions (fractional): 1 N 0.66666666666667 0.33333333333333 0.88100140105580 14.007 2 N 0.33333333333333 0.66666666666667 0.38100140105580 14.007 3 Al 0.66666666666667 0.33333333333333 0.49899859894420 26.982 4 Al 0.33333333333333 0.66666666666667 0.99899859894420 26.982-------------------------------- supercell ---------------------------------Lattice vectors: a 12.454790519705288 0.000000000000000 0.000000000000000 b -6.227395259852644 10.786164988878372 0.000000000000000 c 0.000000000000000 0.000000000000000 9.966433479999999Atomic positions (fractional): 1 N 0.16666666666667 0.08333333333333 0.44050070052790 14.007 > 1 2 N 0.41666666666667 0.08333333333333 0.44050070052790 14.007 > 1 3 N 0.66666666666667 0.08333333333333 0.44050070052790 14.007 > 1 4 N 0.91666666666667 0.08333333333333 0.44050070052790 14.007 > 1 5 N 0.16666666666667 0.33333333333333 0.44050070052790 14.007 > 1 6 N 0.41666666666667 0.33333333333333 0.44050070052790 14.007 > 1 7 N 0.66666666666667 0.33333333333333 0.44050070052790 14.007 > 1 8 N 0.91666666666667 0.33333333333333 0.44050070052790 14.007 > 1 9 N 0.16666666666667 0.58333333333333 0.44050070052790 14.007 > 1 10 N 0.41666666666667 0.58333333333333 0.44050070052790 14.007 > 1 11 N 0.66666666666667 0.58333333333333 0.44050070052790 14.007 > 1 12 N 0.91666666666667 0.58333333333333 0.44050070052790 14.007 > 1 13 N 0.16666666666667 0.83333333333333 0.44050070052790 14.007 > 1 14 N 0.41666666666667 0.83333333333333 0.44050070052790 14.007 > 1 15 N 0.66666666666667 0.83333333333333 0.44050070052790 14.007 > 1 16 N 0.91666666666667 0.83333333333333 0.44050070052790 14.007 > 1 17 N 0.16666666666667 0.08333333333333 0.94050070052790 14.007 > 1 18 N 0.41666666666667 0.08333333333333 0.94050070052790 14.007 > 1 19 N 0.66666666666667 0.08333333333333 0.94050070052790 14.007 > 1 20 N 0.91666666666667 0.08333333333333 0.94050070052790 14.007 > 1 21 N 0.16666666666667 0.33333333333333 0.94050070052790 14.007 > 1 22 N 0.41666666666667 0.33333333333333 0.94050070052790 14.007 > 1 23 N 0.66666666666667 0.33333333333333 0.94050070052790 14.007 > 1 24 N 0.91666666666667 0.33333333333333 0.94050070052790 14.007 > 1 25 N 0.16666666666667 0.58333333333333 0.94050070052790 14.007 > 1 26 N 0.41666666666667 0.58333333333333 0.94050070052790 14.007 > 1 27 N 0.66666666666667 0.58333333333333 0.94050070052790 14.007 > 1 28 N 0.91666666666667 0.58333333333333 0.94050070052790 14.007 > 1 29 N 0.16666666666667 0.83333333333333 0.94050070052790 14.007 > 1 30 N 0.41666666666667 0.83333333333333 0.94050070052790 14.007 > 1 31 N 0.66666666666667 0.83333333333333 0.94050070052790 14.007 > 1 32 N 0.91666666666667 0.83333333333333 0.94050070052790 14.007 > 1 33 N 0.08333333333333 0.16666666666667 0.19050070052790 14.007 > 33 34 N 0.33333333333333 0.16666666666667 0.19050070052790 14.007 > 33 35 N 0.58333333333333 0.16666666666667 0.19050070052790 14.007 > 33 36 N 0.83333333333333 0.16666666666667 0.19050070052790 14.007 > 33 37 N 0.08333333333333 0.41666666666667 0.19050070052790 14.007 > 33 38 N 0.33333333333333 0.41666666666667 0.19050070052790 14.007 > 33 39 N 0.58333333333333 0.41666666666667 0.19050070052790 14.007 > 33 40 N 0.83333333333333 0.41666666666667 0.19050070052790 14.007 > 33 41 N 0.08333333333333 0.66666666666667 0.19050070052790 14.007 > 33 42 N 0.33333333333333 0.66666666666667 0.19050070052790 14.007 > 33 43 N 0.58333333333333 0.66666666666667 0.19050070052790 14.007 > 33 44 N 0.83333333333333 0.66666666666667 0.19050070052790 14.007 > 33 45 N 0.08333333333333 0.91666666666667 0.19050070052790 14.007 > 33 46 N 0.33333333333333 0.91666666666667 0.19050070052790 14.007 > 33 47 N 0.58333333333333 0.91666666666667 0.19050070052790 14.007 > 33 48 N 0.83333333333333 0.91666666666667 0.19050070052790 14.007 > 33 49 N 0.08333333333333 0.16666666666667 0.69050070052790 14.007 > 33 50 N 0.33333333333333 0.16666666666667 0.69050070052790 14.007 > 33 51 N 0.58333333333333 0.16666666666667 0.69050070052790 14.007 > 33 52 N 0.83333333333333 0.16666666666667 0.69050070052790 14.007 > 33 53 N 0.08333333333333 0.41666666666667 0.69050070052790 14.007 > 33 54 N 0.33333333333333 0.41666666666667 0.69050070052790 14.007 > 33 55 N 0.58333333333333 0.41666666666667 0.69050070052790 14.007 > 33 56 N 0.83333333333333 0.41666666666667 0.69050070052790 14.007 > 33 57 N 0.08333333333333 0.66666666666667 0.69050070052790 14.007 > 33 58 N 0.33333333333333 0.66666666666667 0.69050070052790 14.007 > 33 59 N 0.58333333333333 0.66666666666667 0.69050070052790 14.007 > 33 60 N 0.83333333333333 0.66666666666667 0.69050070052790 14.007 > 33 61 N 0.08333333333333 0.91666666666667 0.69050070052790 14.007 > 33 62 N 0.33333333333333 0.91666666666667 0.69050070052790 14.007 > 33 63 N 0.58333333333333 0.91666666666667 0.69050070052790 14.007 > 33 64 N 0.83333333333333 0.91666666666667 0.69050070052790 14.007 > 33 65 Al 0.16666666666667 0.08333333333333 0.24949929947210 26.982 > 65 66 Al 0.41666666666667 0.08333333333333 0.24949929947210 26.982 > 65 67 Al 0.66666666666667 0.08333333333333 0.24949929947210 26.982 > 65 68 Al 0.91666666666667 0.08333333333333 0.24949929947210 26.982 > 65 69 Al 0.16666666666667 0.33333333333333 0.24949929947210 26.982 > 65 70 Al 0.41666666666667 0.33333333333333 0.24949929947210 26.982 > 65 71 Al 0.66666666666667 0.33333333333333 0.24949929947210 26.982 > 65 72 Al 0.91666666666667 0.33333333333333 0.24949929947210 26.982 > 65 73 Al 0.16666666666667 0.58333333333333 0.24949929947210 26.982 > 65 74 Al 0.41666666666667 0.58333333333333 0.24949929947210 26.982 > 65 75 Al 0.66666666666667 0.58333333333333 0.24949929947210 26.982 > 65 76 Al 0.91666666666667 0.58333333333333 0.24949929947210 26.982 > 65 77 Al 0.16666666666667 0.83333333333333 0.24949929947210 26.982 > 65 78 Al 0.41666666666667 0.83333333333333 0.24949929947210 26.982 > 65 79 Al 0.66666666666667 0.83333333333333 0.24949929947210 26.982 > 65 80 Al 0.91666666666667 0.83333333333333 0.24949929947210 26.982 > 65 81 Al 0.16666666666667 0.08333333333333 0.74949929947210 26.982 > 65 82 Al 0.41666666666667 0.08333333333333 0.74949929947210 26.982 > 65 83 Al 0.66666666666667 0.08333333333333 0.74949929947210 26.982 > 65 84 Al 0.91666666666667 0.08333333333333 0.74949929947210 26.982 > 65 85 Al 0.16666666666667 0.33333333333333 0.74949929947210 26.982 > 65 86 Al 0.41666666666667 0.33333333333333 0.74949929947210 26.982 > 65 87 Al 0.66666666666667 0.33333333333333 0.74949929947210 26.982 > 65 88 Al 0.91666666666667 0.33333333333333 0.74949929947210 26.982 > 65 89 Al 0.16666666666667 0.58333333333333 0.74949929947210 26.982 > 65 90 Al 0.41666666666667 0.58333333333333 0.74949929947210 26.982 > 65 91 Al 0.66666666666667 0.58333333333333 0.74949929947210 26.982 > 65 92 Al 0.91666666666667 0.58333333333333 0.74949929947210 26.982 > 65 93 Al 0.16666666666667 0.83333333333333 0.74949929947210 26.982 > 65 94 Al 0.41666666666667 0.83333333333333 0.74949929947210 26.982 > 65 95 Al 0.66666666666667 0.83333333333333 0.74949929947210 26.982 > 65 96 Al 0.91666666666667 0.83333333333333 0.74949929947210 26.982 > 65 97 Al 0.08333333333333 0.16666666666667 0.49949929947210 26.982 > 97 98 Al 0.33333333333333 0.16666666666667 0.49949929947210 26.982 > 97 99 Al 0.58333333333333 0.16666666666667 0.49949929947210 26.982 > 97 100 Al 0.83333333333333 0.16666666666667 0.49949929947210 26.982 > 97 101 Al 0.08333333333333 0.41666666666667 0.49949929947210 26.982 > 97 102 Al 0.33333333333333 0.41666666666667 0.49949929947210 26.982 > 97 103 Al 0.58333333333333 0.41666666666667 0.49949929947210 26.982 > 97 104 Al 0.83333333333333 0.41666666666667 0.49949929947210 26.982 > 97 105 Al 0.08333333333333 0.66666666666667 0.49949929947210 26.982 > 97 106 Al 0.33333333333333 0.66666666666667 0.49949929947210 26.982 > 97 107 Al 0.58333333333333 0.66666666666667 0.49949929947210 26.982 > 97 108 Al 0.83333333333333 0.66666666666667 0.49949929947210 26.982 > 97 109 Al 0.08333333333333 0.91666666666667 0.49949929947210 26.982 > 97 110 Al 0.33333333333333 0.91666666666667 0.49949929947210 26.982 > 97 111 Al 0.58333333333333 0.91666666666667 0.49949929947210 26.982 > 97 112 Al 0.83333333333333 0.91666666666667 0.49949929947210 26.982 > 97 113 Al 0.08333333333333 0.16666666666667 0.99949929947210 26.982 > 97 114 Al 0.33333333333333 0.16666666666667 0.99949929947210 26.982 > 97 115 Al 0.58333333333333 0.16666666666667 0.99949929947210 26.982 > 97 116 Al 0.83333333333333 0.16666666666667 0.99949929947210 26.982 > 97 117 Al 0.08333333333333 0.41666666666667 0.99949929947210 26.982 > 97 118 Al 0.33333333333333 0.41666666666667 0.99949929947210 26.982 > 97 119 Al 0.58333333333333 0.41666666666667 0.99949929947210 26.982 > 97 120 Al 0.83333333333333 0.41666666666667 0.99949929947210 26.982 > 97 121 Al 0.08333333333333 0.66666666666667 0.99949929947210 26.982 > 97 122 Al 0.33333333333333 0.66666666666667 0.99949929947210 26.982 > 97 123 Al 0.58333333333333 0.66666666666667 0.99949929947210 26.982 > 97 124 Al 0.83333333333333 0.66666666666667 0.99949929947210 26.982 > 97 125 Al 0.08333333333333 0.91666666666667 0.99949929947210 26.982 > 97 126 Al 0.33333333333333 0.91666666666667 0.99949929947210 26.982 > 97 127 Al 0.58333333333333 0.91666666666667 0.99949929947210 26.982 > 97 128 Al 0.83333333333333 0.91666666666667 0.99949929947210 26.982 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5038917 0.0000000 0.0000000 -0.0000000 4.5038917 0.0000000 0.0000000 0.0000000 4.7169688-------------------------- Born effective charges -------------------------- 1 N -2.5157638 -0.0000000 0.0000000 0.0000000 -2.5157638 0.0000000 0.0000000 0.0000000 -2.6773768 2 N -2.5157638 -0.0000000 0.0000000 0.0000000 -2.5157638 0.0000000 0.0000000 0.0000000 -2.6773768 3 Al 2.5157638 0.0000000 0.0000000 -0.0000000 2.5157638 0.0000000 0.0000000 0.0000000 2.6773768 4 Al 2.5157638 0.0000000 0.0000000 -0.0000000 2.5157638 0.0000000 0.0000000 0.0000000 2.6773768----------------------------------------------------------------------------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[ 65, 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: 0.00000008 (zzz) 0.00000008 (zzz) 0.00000008 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 18:35:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 18:35:29]-------------------------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): [4 4 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3mc (186)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.113697629926322 0.000000000000000 0.000000000000000 b -1.556848814963161 2.696541247219593 0.000000000000000 c 0.000000000000000 0.000000000000000 4.983216740000000Atomic positions (fractional): 1 N 0.66666666666667 0.33333333333333 0.88100140105580 14.007 2 N 0.33333333333333 0.66666666666667 0.38100140105580 14.007 3 Al 0.66666666666667 0.33333333333333 0.49899859894420 26.982 4 Al 0.33333333333333 0.66666666666667 0.99899859894420 26.982-------------------------------- supercell ---------------------------------Lattice vectors: a 12.454790519705288 0.000000000000000 0.000000000000000 b -6.227395259852644 10.786164988878372 0.000000000000000 c 0.000000000000000 0.000000000000000 9.966433479999999Atomic positions (fractional): 1 N 0.16666666666667 0.08333333333333 0.44050070052790 14.007 > 1 2 N 0.41666666666667 0.08333333333333 0.44050070052790 14.007 > 1 3 N 0.66666666666667 0.08333333333333 0.44050070052790 14.007 > 1 4 N 0.91666666666667 0.08333333333333 0.44050070052790 14.007 > 1 5 N 0.16666666666667 0.33333333333333 0.44050070052790 14.007 > 1 6 N 0.41666666666667 0.33333333333333 0.44050070052790 14.007 > 1 7 N 0.66666666666667 0.33333333333333 0.44050070052790 14.007 > 1 8 N 0.91666666666667 0.33333333333333 0.44050070052790 14.007 > 1 9 N 0.16666666666667 0.58333333333333 0.44050070052790 14.007 > 1 10 N 0.41666666666667 0.58333333333333 0.44050070052790 14.007 > 1 11 N 0.66666666666667 0.58333333333333 0.44050070052790 14.007 > 1 12 N 0.91666666666667 0.58333333333333 0.44050070052790 14.007 > 1 13 N 0.16666666666667 0.83333333333333 0.44050070052790 14.007 > 1 14 N 0.41666666666667 0.83333333333333 0.44050070052790 14.007 > 1 15 N 0.66666666666667 0.83333333333333 0.44050070052790 14.007 > 1 16 N 0.91666666666667 0.83333333333333 0.44050070052790 14.007 > 1 17 N 0.16666666666667 0.08333333333333 0.94050070052790 14.007 > 1 18 N 0.41666666666667 0.08333333333333 0.94050070052790 14.007 > 1 19 N 0.66666666666667 0.08333333333333 0.94050070052790 14.007 > 1 20 N 0.91666666666667 0.08333333333333 0.94050070052790 14.007 > 1 21 N 0.16666666666667 0.33333333333333 0.94050070052790 14.007 > 1 22 N 0.41666666666667 0.33333333333333 0.94050070052790 14.007 > 1 23 N 0.66666666666667 0.33333333333333 0.94050070052790 14.007 > 1 24 N 0.91666666666667 0.33333333333333 0.94050070052790 14.007 > 1 25 N 0.16666666666667 0.58333333333333 0.94050070052790 14.007 > 1 26 N 0.41666666666667 0.58333333333333 0.94050070052790 14.007 > 1 27 N 0.66666666666667 0.58333333333333 0.94050070052790 14.007 > 1 28 N 0.91666666666667 0.58333333333333 0.94050070052790 14.007 > 1 29 N 0.16666666666667 0.83333333333333 0.94050070052790 14.007 > 1 30 N 0.41666666666667 0.83333333333333 0.94050070052790 14.007 > 1 31 N 0.66666666666667 0.83333333333333 0.94050070052790 14.007 > 1 32 N 0.91666666666667 0.83333333333333 0.94050070052790 14.007 > 1 33 N 0.08333333333333 0.16666666666667 0.19050070052790 14.007 > 33 34 N 0.33333333333333 0.16666666666667 0.19050070052790 14.007 > 33 35 N 0.58333333333333 0.16666666666667 0.19050070052790 14.007 > 33 36 N 0.83333333333333 0.16666666666667 0.19050070052790 14.007 > 33 37 N 0.08333333333333 0.41666666666667 0.19050070052790 14.007 > 33 38 N 0.33333333333333 0.41666666666667 0.19050070052790 14.007 > 33 39 N 0.58333333333333 0.41666666666667 0.19050070052790 14.007 > 33 40 N 0.83333333333333 0.41666666666667 0.19050070052790 14.007 > 33 41 N 0.08333333333333 0.66666666666667 0.19050070052790 14.007 > 33 42 N 0.33333333333333 0.66666666666667 0.19050070052790 14.007 > 33 43 N 0.58333333333333 0.66666666666667 0.19050070052790 14.007 > 33 44 N 0.83333333333333 0.66666666666667 0.19050070052790 14.007 > 33 45 N 0.08333333333333 0.91666666666667 0.19050070052790 14.007 > 33 46 N 0.33333333333333 0.91666666666667 0.19050070052790 14.007 > 33 47 N 0.58333333333333 0.91666666666667 0.19050070052790 14.007 > 33 48 N 0.83333333333333 0.91666666666667 0.19050070052790 14.007 > 33 49 N 0.08333333333333 0.16666666666667 0.69050070052790 14.007 > 33 50 N 0.33333333333333 0.16666666666667 0.69050070052790 14.007 > 33 51 N 0.58333333333333 0.16666666666667 0.69050070052790 14.007 > 33 52 N 0.83333333333333 0.16666666666667 0.69050070052790 14.007 > 33 53 N 0.08333333333333 0.41666666666667 0.69050070052790 14.007 > 33 54 N 0.33333333333333 0.41666666666667 0.69050070052790 14.007 > 33 55 N 0.58333333333333 0.41666666666667 0.69050070052790 14.007 > 33 56 N 0.83333333333333 0.41666666666667 0.69050070052790 14.007 > 33 57 N 0.08333333333333 0.66666666666667 0.69050070052790 14.007 > 33 58 N 0.33333333333333 0.66666666666667 0.69050070052790 14.007 > 33 59 N 0.58333333333333 0.66666666666667 0.69050070052790 14.007 > 33 60 N 0.83333333333333 0.66666666666667 0.69050070052790 14.007 > 33 61 N 0.08333333333333 0.91666666666667 0.69050070052790 14.007 > 33 62 N 0.33333333333333 0.91666666666667 0.69050070052790 14.007 > 33 63 N 0.58333333333333 0.91666666666667 0.69050070052790 14.007 > 33 64 N 0.83333333333333 0.91666666666667 0.69050070052790 14.007 > 33 65 Al 0.16666666666667 0.08333333333333 0.24949929947210 26.982 > 65 66 Al 0.41666666666667 0.08333333333333 0.24949929947210 26.982 > 65 67 Al 0.66666666666667 0.08333333333333 0.24949929947210 26.982 > 65 68 Al 0.91666666666667 0.08333333333333 0.24949929947210 26.982 > 65 69 Al 0.16666666666667 0.33333333333333 0.24949929947210 26.982 > 65 70 Al 0.41666666666667 0.33333333333333 0.24949929947210 26.982 > 65 71 Al 0.66666666666667 0.33333333333333 0.24949929947210 26.982 > 65 72 Al 0.91666666666667 0.33333333333333 0.24949929947210 26.982 > 65 73 Al 0.16666666666667 0.58333333333333 0.24949929947210 26.982 > 65 74 Al 0.41666666666667 0.58333333333333 0.24949929947210 26.982 > 65 75 Al 0.66666666666667 0.58333333333333 0.24949929947210 26.982 > 65 76 Al 0.91666666666667 0.58333333333333 0.24949929947210 26.982 > 65 77 Al 0.16666666666667 0.83333333333333 0.24949929947210 26.982 > 65 78 Al 0.41666666666667 0.83333333333333 0.24949929947210 26.982 > 65 79 Al 0.66666666666667 0.83333333333333 0.24949929947210 26.982 > 65 80 Al 0.91666666666667 0.83333333333333 0.24949929947210 26.982 > 65 81 Al 0.16666666666667 0.08333333333333 0.74949929947210 26.982 > 65 82 Al 0.41666666666667 0.08333333333333 0.74949929947210 26.982 > 65 83 Al 0.66666666666667 0.08333333333333 0.74949929947210 26.982 > 65 84 Al 0.91666666666667 0.08333333333333 0.74949929947210 26.982 > 65 85 Al 0.16666666666667 0.33333333333333 0.74949929947210 26.982 > 65 86 Al 0.41666666666667 0.33333333333333 0.74949929947210 26.982 > 65 87 Al 0.66666666666667 0.33333333333333 0.74949929947210 26.982 > 65 88 Al 0.91666666666667 0.33333333333333 0.74949929947210 26.982 > 65 89 Al 0.16666666666667 0.58333333333333 0.74949929947210 26.982 > 65 90 Al 0.41666666666667 0.58333333333333 0.74949929947210 26.982 > 65 91 Al 0.66666666666667 0.58333333333333 0.74949929947210 26.982 > 65 92 Al 0.91666666666667 0.58333333333333 0.74949929947210 26.982 > 65 93 Al 0.16666666666667 0.83333333333333 0.74949929947210 26.982 > 65 94 Al 0.41666666666667 0.83333333333333 0.74949929947210 26.982 > 65 95 Al 0.66666666666667 0.83333333333333 0.74949929947210 26.982 > 65 96 Al 0.91666666666667 0.83333333333333 0.74949929947210 26.982 > 65 97 Al 0.08333333333333 0.16666666666667 0.49949929947210 26.982 > 97 98 Al 0.33333333333333 0.16666666666667 0.49949929947210 26.982 > 97 99 Al 0.58333333333333 0.16666666666667 0.49949929947210 26.982 > 97 100 Al 0.83333333333333 0.16666666666667 0.49949929947210 26.982 > 97 101 Al 0.08333333333333 0.41666666666667 0.49949929947210 26.982 > 97 102 Al 0.33333333333333 0.41666666666667 0.49949929947210 26.982 > 97 103 Al 0.58333333333333 0.41666666666667 0.49949929947210 26.982 > 97 104 Al 0.83333333333333 0.41666666666667 0.49949929947210 26.982 > 97 105 Al 0.08333333333333 0.66666666666667 0.49949929947210 26.982 > 97 106 Al 0.33333333333333 0.66666666666667 0.49949929947210 26.982 > 97 107 Al 0.58333333333333 0.66666666666667 0.49949929947210 26.982 > 97 108 Al 0.83333333333333 0.66666666666667 0.49949929947210 26.982 > 97 109 Al 0.08333333333333 0.91666666666667 0.49949929947210 26.982 > 97 110 Al 0.33333333333333 0.91666666666667 0.49949929947210 26.982 > 97 111 Al 0.58333333333333 0.91666666666667 0.49949929947210 26.982 > 97 112 Al 0.83333333333333 0.91666666666667 0.49949929947210 26.982 > 97 113 Al 0.08333333333333 0.16666666666667 0.99949929947210 26.982 > 97 114 Al 0.33333333333333 0.16666666666667 0.99949929947210 26.982 > 97 115 Al 0.58333333333333 0.16666666666667 0.99949929947210 26.982 > 97 116 Al 0.83333333333333 0.16666666666667 0.99949929947210 26.982 > 97 117 Al 0.08333333333333 0.41666666666667 0.99949929947210 26.982 > 97 118 Al 0.33333333333333 0.41666666666667 0.99949929947210 26.982 > 97 119 Al 0.58333333333333 0.41666666666667 0.99949929947210 26.982 > 97 120 Al 0.83333333333333 0.41666666666667 0.99949929947210 26.982 > 97 121 Al 0.08333333333333 0.66666666666667 0.99949929947210 26.982 > 97 122 Al 0.33333333333333 0.66666666666667 0.99949929947210 26.982 > 97 123 Al 0.58333333333333 0.66666666666667 0.99949929947210 26.982 > 97 124 Al 0.83333333333333 0.66666666666667 0.99949929947210 26.982 > 97 125 Al 0.08333333333333 0.91666666666667 0.99949929947210 26.982 > 97 126 Al 0.33333333333333 0.91666666666667 0.99949929947210 26.982 > 97 127 Al 0.58333333333333 0.91666666666667 0.99949929947210 26.982 > 97 128 Al 0.83333333333333 0.91666666666667 0.99949929947210 26.982 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.5038917 0.0000000 0.0000000 -0.0000000 4.5038917 0.0000000 0.0000000 0.0000000 4.7169688-------------------------- Born effective charges -------------------------- 1 N -2.5157638 -0.0000000 0.0000000 0.0000000 -2.5157638 0.0000000 0.0000000 0.0000000 -2.6773768 2 N -2.5157638 -0.0000000 0.0000000 0.0000000 -2.5157638 0.0000000 0.0000000 0.0000000 -2.6773768 3 Al 2.5157638 0.0000000 0.0000000 -0.0000000 2.5157638 0.0000000 0.0000000 0.0000000 2.6773768 4 Al 2.5157638 0.0000000 0.0000000 -0.0000000 2.5157638 0.0000000 0.0000000 0.0000000 2.6773768----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000008 (zzz) 0.00000008 (zzz) 0.00000008 (zzz)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 ... [ 19 19 10 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.20, Number of G-points: 311, Lambda: 0.27Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/240) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating 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 7.063 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 -0.000 -0.000) 0.000 16.270 ( -0.000 0.000 0.000) 0.000 18.242 ( 0.000 0.000 0.000) 0.000 19.636 ( 0.000 -0.000 -0.000) 0.000 19.636 ( -0.000 0.000 -0.000) 0.000 19.954 ( 0.000 0.000 -0.000) 0.000 19.954 ( 0.000 0.000 0.000) 0.000 21.449 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/240) =======================q-point: ( 0.05 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 51.383 29.666 0.000) 59.332 1.154 ( 50.691 29.266 0.000) 58.532 2.122 ( 93.188 53.802 0.000) 107.605 7.170 ( 9.341 5.393 0.000) 10.786 7.414 ( 30.022 17.333 0.000) 34.667 16.176 ( -8.095 -4.674 0.000) 9.348 18.245 ( 0.331 0.191 0.000) 0.382 19.629 ( -0.465 -0.269 0.000) 0.537 19.720 ( 7.078 4.086 0.000) 8.172 19.970 ( 1.232 0.711 0.000) 1.422 21.437 ( -1.035 -0.597 0.000) 1.195 26.769 ( -6.228 -3.596 0.000) 7.192======================= Grid point 2 (3/240) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.273 ( 48.396 27.942 0.000) 55.883 2.296 ( 50.965 29.424 0.000) 58.849 4.197 ( 90.641 52.332 0.000) 104.663 7.473 ( 17.187 9.923 0.000) 19.846 8.334 ( 49.500 28.579 0.000) 57.157 15.919 ( -14.363 -8.292 0.000) 16.585 18.258 ( 0.852 0.492 0.000) 0.984 19.621 ( -0.182 -0.105 0.000) 0.210 19.922 ( 9.839 5.680 0.000) 11.361 20.000 ( 1.273 0.735 0.000) 1.470 21.411 ( -0.965 -0.557 0.000) 1.115 26.562 ( -11.999 -6.928 0.000) 13.856======================= Grid point 3 (4/240) =======================q-point: ( 0.16 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.322 ( 44.392 25.630 0.000) 51.260 3.440 ( 50.510 29.162 0.000) 58.324 6.194 ( 86.225 49.782 0.000) 99.564 7.923 ( 22.203 12.819 0.000) 25.638 9.554 ( 56.958 32.885 0.000) 65.770 15.550 ( -17.844 -10.302 0.000) 20.604 18.286 ( 1.727 0.997 0.000) 1.995 19.623 ( 0.336 0.194 0.000) 0.388 20.022 ( 0.587 0.339 0.000) 0.678 20.114 ( 6.223 3.593 0.000) 7.186 21.408 ( 1.044 0.603 0.000) 1.205 26.233 ( -17.071 -9.856 0.000) 19.712======================= Grid point 4 (5/240) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.262 ( 38.719 22.355 0.000) 44.709 4.570 ( 49.585 28.628 0.000) 57.255 8.072 ( 80.205 46.306 0.000) 92.613 8.447 ( 23.689 13.677 0.000) 27.354 10.830 ( 54.804 31.641 0.000) 63.283 15.143 ( -17.406 -10.050 0.000) 20.099 18.339 ( 3.024 1.746 0.000) 3.491 19.633 ( 0.532 0.307 0.000) 0.615 20.028 ( 0.065 0.038 0.000) 0.075 20.173 ( -1.072 -0.619 0.000) 1.238 21.459 ( 3.057 1.765 0.000) 3.530 25.797 ( -21.565 -12.451 0.000) 24.901======================= Grid point 5 (6/240) =======================q-point: ( 0.26 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.058 ( 31.771 18.343 0.000) 36.686 5.669 ( 47.815 27.606 0.000) 55.212 8.966 ( 21.860 12.621 0.000) 25.241 9.799 ( 72.908 42.093 0.000) 84.186 11.944 ( 41.665 24.055 0.000) 48.110 14.822 ( -9.093 -5.250 0.000) 10.500 18.425 ( 4.608 2.660 0.000) 5.321 19.643 ( 0.292 0.169 0.000) 0.337 20.030 ( 0.195 0.113 0.000) 0.225 20.083 ( -6.243 -3.604 0.000) 7.208 21.519 ( 1.628 0.940 0.000) 1.880 25.263 ( -25.873 -14.938 0.000) 29.876======================= Grid point 6 (7/240) =======================q-point: ( 0.32 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.689 ( 24.236 13.993 0.000) 27.986 6.715 ( 44.705 25.810 0.000) 51.621 9.414 ( 17.612 10.169 0.000) 20.337 11.351 ( 64.665 37.334 0.000) 74.668 12.574 ( 12.082 6.976 0.000) 13.951 14.844 ( 12.424 7.173 0.000) 14.345 18.546 ( 6.031 3.482 0.000) 6.964 19.645 ( -0.089 -0.051 0.000) 0.103 19.928 ( -6.680 -3.857 0.000) 7.714 20.041 ( 0.790 0.456 0.000) 0.912 21.516 ( -1.932 -1.115 0.000) 2.231 24.630 ( -30.235 -17.456 0.000) 34.913======================= Grid point 7 (8/240) =======================q-point: ( 0.37 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.151 ( 16.809 9.705 0.000) 19.409 7.668 ( 39.375 22.733 0.000) 45.467 9.751 ( 12.171 7.027 0.000) 14.054 12.547 ( -10.043 -5.798 0.000) 11.596 12.710 ( 55.006 31.758 0.000) 63.515 15.277 ( 21.114 12.190 0.000) 24.380 18.691 ( 6.730 3.886 0.000) 7.771 19.641 ( -0.232 -0.134 0.000) 0.268 19.827 ( -1.299 -0.750 0.000) 1.500 20.064 ( 1.231 0.711 0.000) 1.421 21.445 ( -3.664 -2.115 0.000) 4.231 23.903 ( -34.123 -19.701 0.000) 39.402======================= Grid point 8 (9/240) =======================q-point: ( 0.42 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.450 ( 9.837 5.679 0.000) 11.358 8.459 ( 29.813 17.212 0.000) 34.425 9.963 ( 6.769 3.908 0.000) 7.816 12.234 ( -15.015 -8.669 0.000) 17.338 13.846 ( 44.900 25.923 0.000) 51.846 15.609 ( 5.913 3.414 0.000) 6.828 18.843 ( 6.571 3.794 0.000) 7.587 19.637 ( -0.134 -0.078 0.000) 0.155 19.888 ( 6.161 3.557 0.000) 7.115 20.092 ( 1.107 0.639 0.000) 1.278 21.401 ( 1.330 0.768 0.000) 1.536 23.111 ( -35.462 -20.474 0.000) 40.949======================= Grid point 9 (10/240) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.597 ( 3.238 1.870 0.000) 3.739 8.950 ( 12.095 6.983 0.000) 13.966 10.062 ( 2.111 1.219 0.000) 2.437 11.961 ( -7.354 -4.246 0.000) 8.491 14.682 ( 26.280 15.173 0.000) 30.346 15.535 ( -9.539 -5.507 0.000) 11.015 18.962 ( 3.195 1.845 0.000) 3.689 19.635 ( -0.028 -0.016 0.000) 0.033 20.027 ( 4.136 2.388 0.000) 4.776 20.110 ( 0.441 0.254 0.000) 0.509 21.563 ( 12.021 6.940 0.000) 13.881 22.376 ( -26.038 -15.033 0.000) 30.066======================= Grid point 20 (11/240) =======================q-point: ( 0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( 29.450 51.010 0.000) 58.901 2.025 ( 30.416 52.681 0.000) 60.831 3.621 ( 51.724 89.588 0.000) 103.448 7.430 ( 10.485 18.160 0.000) 20.969 7.992 ( 24.687 42.759 0.000) 49.374 16.000 ( -7.495 -12.982 0.000) 14.991 18.253 ( 0.394 0.682 0.000) 0.788 19.672 ( 1.112 1.926 0.000) 2.225 19.789 ( 3.099 5.368 0.000) 6.198 20.023 ( 2.396 4.150 0.000) 4.791 21.417 ( -0.679 -1.175 0.000) 1.357 26.627 ( -6.256 -10.835 0.000) 12.511======================= Grid point 21 (12/240) =======================q-point: ( 0.11 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.035 ( 38.323 44.092 0.000) 58.419 3.073 ( 32.398 50.287 0.000) 59.819 5.437 ( 67.904 71.177 0.000) 98.372 7.842 ( 12.682 25.693 0.000) 28.653 9.018 ( 45.118 41.517 0.000) 61.313 15.687 ( -12.802 -14.976 0.000) 19.702 18.274 ( 1.036 1.191 0.000) 1.578 19.685 ( -2.959 5.691 0.000) 6.414 19.922 ( 7.924 -0.824 0.000) 7.966 20.111 ( 1.776 5.704 0.000) 5.974 21.403 ( 0.064 -0.067 0.000) 0.093 26.352 ( -11.489 -14.542 0.000) 18.533======================= Grid point 22 (13/240) =======================q-point: ( 0.16 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.069 ( 27.785 48.541 0.000) 55.930 4.123 ( 41.692 39.729 0.000) 57.590 7.259 ( 72.452 57.554 0.000) 92.530 8.346 ( 14.687 29.284 0.000) 32.761 10.241 ( 52.022 37.063 0.000) 63.875 15.299 ( -15.064 -14.897 0.000) 21.186 18.315 ( 2.054 1.965 0.000) 2.842 19.695 ( -3.050 6.672 0.000) 7.336 20.012 ( 3.286 0.059 0.000) 3.286 20.166 ( 0.466 0.220 0.000) 0.516 21.428 ( 2.163 1.326 0.000) 2.537 25.961 ( -15.822 -17.923 0.000) 23.908======================= Grid point 23 (14/240) =======================q-point: ( 0.21 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.943 ( 20.856 45.825 0.000) 50.348 5.210 ( 42.705 36.305 0.000) 56.051 8.849 ( 24.101 29.697 0.000) 38.246 9.025 ( 61.446 47.307 0.000) 77.547 11.429 ( 48.051 29.021 0.000) 56.135 14.925 ( -12.196 -11.654 0.000) 16.869 18.385 ( 3.439 2.967 0.000) 4.542 19.710 ( -3.322 7.161 0.000) 7.894 20.037 ( -1.066 0.197 0.000) 1.085 20.126 ( -2.143 -3.400 0.000) 4.019 21.486 ( 2.760 0.655 0.000) 2.837 25.471 ( -19.744 -20.816 0.000) 28.690======================= Grid point 24 (15/240) =======================q-point: ( 0.26 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.660 ( 13.099 42.079 0.000) 44.071 6.266 ( 41.854 33.058 0.000) 53.334 9.366 ( 10.949 27.848 0.000) 29.923 10.599 ( 66.948 39.246 0.000) 77.603 12.323 ( 28.842 13.961 0.000) 32.043 14.745 ( 2.179 -2.041 0.000) 2.986 18.489 ( 4.924 3.993 0.000) 6.340 19.719 ( -3.993 7.271 0.000) 8.296 19.937 ( -4.386 -8.367 0.000) 9.447 20.102 ( -1.818 4.518 0.000) 4.870 21.511 ( 0.523 -1.942 0.000) 2.011 24.888 ( -23.830 -23.199 0.000) 33.258======================= Grid point 25 (16/240) =======================q-point: ( 0.32 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.206 ( 5.369 37.830 0.000) 38.209 7.257 ( 38.872 29.392 0.000) 48.733 9.768 ( 5.439 25.665 0.000) 26.235 12.026 ( 60.774 31.449 0.000) 68.429 12.596 ( -0.267 -4.180 0.000) 4.188 15.005 ( 21.625 8.477 0.000) 23.227 18.625 ( 5.943 4.636 0.000) 7.537 19.714 ( -4.319 5.895 0.000) 7.308 19.796 ( -1.733 -7.138 0.000) 7.345 20.126 ( -2.113 6.861 0.000) 7.179 21.465 ( -2.106 -4.052 0.000) 4.567 24.213 ( -28.161 -24.924 0.000) 37.606======================= Grid point 26 (17/240) =======================q-point: ( 0.37 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.583 ( -1.832 33.571 0.000) 33.621 8.132 ( 32.571 24.529 0.000) 40.775 10.047 ( -0.491 22.944 0.000) 22.949 12.377 ( -12.782 -10.949 0.000) 16.830 13.260 ( 52.642 24.091 0.000) 57.892 15.442 ( 17.381 3.865 0.000) 17.806 18.774 ( 6.248 4.602 0.000) 7.760 19.702 ( -2.175 4.417 0.000) 4.923 19.770 ( 3.801 -1.986 0.000) 4.289 20.160 ( -2.374 7.647 0.000) 8.007 21.390 ( -1.054 -3.170 0.000) 3.341 23.458 ( -31.621 -25.331 0.000) 40.516======================= Grid point 27 (18/240) =======================q-point: ( 0.42 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.803 ( -8.478 29.545 0.000) 30.737 8.792 ( 19.901 16.744 0.000) 26.008 10.203 ( -5.819 20.207 0.000) 21.028 12.052 ( -11.171 -9.677 0.000) 14.779 14.255 ( 40.819 15.595 0.000) 43.696 15.563 ( -0.887 -8.053 0.000) 8.101 18.916 ( 5.100 3.469 0.000) 6.168 19.710 ( -3.981 7.380 0.000) 8.386 19.876 ( 9.613 -3.019 0.000) 10.076 20.191 ( -2.697 7.140 0.000) 7.633 21.432 ( 8.205 2.499 0.000) 8.577 22.684 ( -30.503 -22.324 0.000) 37.800======================= Grid point 28 (19/240) =======================q-point: ( 0.47 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.875 ( -14.874 25.763 0.000) 29.748 9.057 ( -2.281 3.951 0.000) 4.562 10.251 ( -10.211 17.686 0.000) 20.422 11.895 ( 1.368 -2.369 0.000) 2.735 14.782 ( 3.912 -6.775 0.000) 7.824 15.408 ( 3.222 -5.580 0.000) 6.444 18.982 ( -0.109 0.189 0.000) 0.218 19.712 ( -4.445 7.700 0.000) 8.891 19.954 ( 3.785 -6.557 0.000) 7.571 20.204 ( -3.393 5.877 0.000) 6.786 21.630 ( 1.545 -2.677 0.000) 3.091 22.187 ( 0.929 -1.609 0.000) 1.857======================= Grid point 41 (20/240) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.960 ( 28.780 49.849 0.000) 57.560 4.110 ( 31.007 53.705 0.000) 62.013 6.894 ( 44.378 76.866 0.000) 88.757 8.401 ( 17.606 30.495 0.000) 35.213 9.942 ( 30.067 52.077 0.000) 60.133 15.354 ( -10.707 -18.544 0.000) 21.413 18.307 ( 1.312 2.272 0.000) 2.623 19.796 ( 2.630 4.555 0.000) 5.260 19.944 ( 1.956 3.388 0.000) 3.912 20.169 ( -0.006 -0.010 0.000) 0.011 21.416 ( 0.846 1.466 0.000) 1.693 26.003 ( -12.073 -20.912 0.000) 24.147======================= Grid point 42 (21/240) =======================q-point: ( 0.16 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.956 ( 33.737 44.930 0.000) 56.187 5.112 ( 23.268 55.771 0.000) 60.430 8.394 ( 53.561 57.808 0.000) 78.807 9.012 ( 15.530 37.895 0.000) 40.954 10.989 ( 39.061 39.094 0.000) 55.263 14.992 ( -11.264 -15.887 0.000) 19.475 18.365 ( 2.465 3.312 0.000) 4.129 19.858 ( -2.794 9.368 0.000) 9.775 20.034 ( 4.026 1.950 0.000) 4.474 20.111 ( -2.808 -5.688 0.000) 6.344 21.453 ( 1.696 0.939 0.000) 1.939 25.545 ( -15.804 -24.407 0.000) 29.077======================= Grid point 43 (22/240) =======================q-point: ( 0.21 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.957 ( 23.689 48.506 0.000) 53.982 5.970 ( 24.561 48.292 0.000) 54.179 9.503 ( 15.511 36.608 0.000) 39.758 9.954 ( 53.386 47.126 0.000) 71.210 11.939 ( 34.524 22.435 0.000) 41.173 14.718 ( -4.585 -8.740 0.000) 9.869 18.457 ( 3.854 4.470 0.000) 5.902 19.893 ( -4.808 11.079 0.000) 12.077 19.940 ( -5.894 -9.248 0.000) 10.967 20.140 ( 2.808 3.948 0.000) 4.845 21.474 ( 1.007 -2.015 0.000) 2.252 24.998 ( -18.975 -27.213 0.000) 33.176======================= Grid point 44 (23/240) =======================q-point: ( 0.26 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.626 ( 1.891 54.849 0.000) 54.882 6.944 ( 35.511 36.037 0.000) 50.593 10.016 ( 4.184 37.577 0.000) 37.810 11.320 ( 58.375 34.554 0.000) 67.835 12.472 ( 12.592 1.265 0.000) 12.656 14.755 ( 13.553 2.908 0.000) 13.861 18.581 ( 5.040 5.415 0.000) 7.397 19.744 ( -4.632 -10.622 0.000) 11.588 19.913 ( -6.040 11.601 0.000) 13.079 20.219 ( 0.154 7.176 0.000) 7.177 21.441 ( -0.710 -5.145 0.000) 5.194 24.374 ( -22.410 -28.982 0.000) 36.636======================= Grid point 45 (24/240) =======================q-point: ( 0.32 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.101 ( -7.269 51.975 0.000) 52.481 7.851 ( 32.379 31.240 0.000) 44.993 10.385 ( -3.362 36.515 0.000) 36.670 12.438 ( -6.849 -11.374 0.000) 13.277 12.572 ( 55.172 24.408 0.000) 60.330 15.135 ( 21.895 3.790 0.000) 22.220 18.726 ( 5.415 5.648 0.000) 7.824 19.617 ( 1.696 -8.229 0.000) 8.402 19.918 ( -6.783 11.947 0.000) 13.738 20.283 ( -1.954 8.825 0.000) 9.039 21.365 ( -1.046 -5.899 0.000) 5.991 23.678 ( -26.011 -29.248 0.000) 39.141======================= Grid point 46 (25/240) =======================q-point: ( 0.37 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.402 ( -14.963 48.505 0.000) 50.761 8.617 ( 24.484 25.103 0.000) 35.067 10.615 ( -10.089 34.073 0.000) 35.536 12.138 ( -11.727 -13.098 0.000) 17.581 13.643 ( 48.055 15.176 0.000) 50.394 15.408 ( 9.746 -7.530 0.000) 12.316 18.868 ( 5.114 4.967 0.000) 7.129 19.658 ( 9.560 -4.229 0.000) 10.454 19.919 ( -6.974 12.235 0.000) 14.083 20.320 ( -3.572 8.066 0.000) 8.822 21.334 ( 3.835 -2.333 0.000) 4.489 22.941 ( -27.835 -26.832 0.000) 38.662======================= Grid point 47 (26/240) =======================q-point: ( 0.42 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.547 ( -21.682 44.899 0.000) 49.861 9.105 ( 7.516 15.107 0.000) 16.874 10.716 ( -15.165 30.843 0.000) 34.370 11.873 ( -4.904 -8.016 0.000) 9.397 14.437 ( 31.498 2.354 0.000) 31.586 15.317 ( -2.952 -16.091 0.000) 16.360 18.976 ( 2.269 2.657 0.000) 3.494 19.789 ( 8.605 -5.075 0.000) 9.990 19.920 ( -7.364 12.615 0.000) 14.607 20.323 ( -3.907 6.210 0.000) 7.337 21.482 ( 12.142 1.444 0.000) 12.227 22.285 ( -19.692 -17.056 0.000) 26.052======================= Grid point 61 (27/240) =======================q-point: ( 0.16 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.856 ( 27.080 46.903 0.000) 54.159 6.168 ( 29.442 50.994 0.000) 58.883 9.457 ( 27.915 48.350 0.000) 55.829 9.826 ( 27.197 47.107 0.000) 54.395 11.727 ( 20.147 34.896 0.000) 40.294 14.716 ( -6.421 -11.122 0.000) 12.842 18.446 ( 2.875 4.980 0.000) 5.751 19.946 ( -5.873 -10.173 0.000) 11.747 20.036 ( 4.504 7.802 0.000) 9.009 20.095 ( 2.493 4.318 0.000) 4.986 21.453 ( -0.651 -1.128 0.000) 1.302 25.022 ( -16.676 -28.884 0.000) 33.353======================= Grid point 62 (28/240) =======================q-point: ( 0.21 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.772 ( 29.474 42.042 0.000) 51.344 7.063 ( 14.890 54.538 0.000) 56.534 10.236 ( 16.547 37.522 0.000) 41.009 10.859 ( 38.700 45.579 0.000) 59.792 12.265 ( 14.880 10.046 0.000) 17.953 14.621 ( 3.712 -0.348 0.000) 3.728 18.560 ( 4.147 6.106 0.000) 7.381 19.729 ( -6.391 -11.770 0.000) 13.393 20.119 ( -3.855 11.193 0.000) 11.838 20.235 ( 6.003 5.769 0.000) 8.325 21.405 ( -1.460 -5.002 0.000) 5.210 24.426 ( -19.048 -30.992 0.000) 36.378======================= Grid point 63 (29/240) =======================q-point: ( 0.26 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.656 ( 27.979 37.820 0.000) 47.044 7.730 ( 1.287 55.479 0.000) 55.494 10.784 ( 3.821 39.925 0.000) 40.107 11.955 ( 45.695 30.761 0.000) 55.084 12.387 ( 0.407 -9.335 0.000) 9.344 14.834 ( 16.508 4.107 0.000) 17.012 18.701 ( 4.800 6.779 0.000) 8.306 19.534 ( -2.658 -10.291 0.000) 10.629 20.150 ( -5.539 11.822 0.000) 13.056 20.376 ( 1.830 8.929 0.000) 9.115 21.316 ( -1.320 -7.389 0.000) 7.506 23.778 ( -21.374 -31.544 0.000) 38.104======================= Grid point 64 (30/240) =======================q-point: ( 0.32 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.164 ( -11.987 55.240 0.000) 56.525 8.470 ( 25.463 32.080 0.000) 40.958 11.142 ( -7.457 39.253 0.000) 39.955 12.176 ( -8.147 -14.579 0.000) 16.701 12.984 ( 46.555 18.113 0.000) 49.955 15.123 ( 14.783 -5.485 0.000) 15.768 18.845 ( 4.330 6.508 0.000) 7.817 19.475 ( 5.568 -6.105 0.000) 8.263 20.167 ( -6.518 12.731 0.000) 14.302 20.459 ( -2.711 9.041 0.000) 9.439 21.246 ( 1.918 -6.002 0.000) 6.301 23.097 ( -23.333 -29.601 0.000) 37.692======================= Grid point 65 (31/240) =======================q-point: ( 0.37 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.408 ( -21.269 52.997 0.000) 57.106 9.107 ( 15.014 24.944 0.000) 29.114 11.289 ( -14.705 29.392 0.000) 32.865 11.916 ( -8.623 -5.176 0.000) 10.058 13.851 ( 40.347 6.092 0.000) 40.804 15.155 ( 2.520 -17.872 0.000) 18.049 18.967 ( 2.995 5.052 0.000) 5.873 19.576 ( 10.290 -4.398 0.000) 11.191 20.183 ( -7.040 14.078 0.000) 15.741 20.460 ( -5.354 6.231 0.000) 8.215 21.299 ( 9.098 -1.625 0.000) 9.242 22.446 ( -21.484 -22.927 0.000) 31.420======================= Grid point 66 (32/240) =======================q-point: ( 0.42 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.486 ( -28.631 49.590 0.000) 57.261 9.376 ( -7.229 12.521 0.000) 14.458 11.282 ( -11.544 19.995 0.000) 23.088 11.822 ( -5.054 8.753 0.000) 10.107 14.308 ( 9.225 -15.979 0.000) 18.451 15.002 ( 8.429 -14.600 0.000) 16.858 19.021 ( -1.233 2.135 0.000) 2.466 19.655 ( 4.799 -8.311 0.000) 9.597 20.196 ( -8.493 14.711 0.000) 16.987 20.437 ( -3.263 5.653 0.000) 6.527 21.430 ( 4.218 -7.305 0.000) 8.435 22.080 ( 2.045 -3.543 0.000) 4.091======================= Grid point 82 (33/240) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.591 ( 24.022 41.608 0.000) 48.044 8.036 ( 25.479 44.130 0.000) 50.957 10.941 ( 19.705 34.129 0.000) 39.409 11.727 ( 24.933 43.186 0.000) 49.867 12.313 ( -2.766 -4.791 0.000) 5.532 14.707 ( 4.730 8.192 0.000) 9.460 18.693 ( 4.309 7.464 0.000) 8.618 19.507 ( -5.879 -10.183 0.000) 11.759 20.275 ( 2.712 4.697 0.000) 5.424 20.394 ( 5.864 10.158 0.000) 11.729 21.287 ( -3.901 -6.758 0.000) 7.803 23.802 ( -18.862 -32.670 0.000) 37.724======================= Grid point 83 (34/240) =======================q-point: ( 0.26 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.381 ( 23.727 36.690 0.000) 43.693 8.761 ( 6.707 48.336 0.000) 48.799 11.533 ( 7.785 35.871 0.000) 36.706 12.121 ( -4.896 -16.249 0.000) 16.971 12.544 ( 29.713 28.705 0.000) 41.314 14.875 ( 8.535 -0.798 0.000) 8.572 18.843 ( 4.304 7.743 0.000) 8.859 19.365 ( -0.262 -6.459 0.000) 6.465 20.341 ( -1.349 7.381 0.000) 7.503 20.572 ( 1.817 10.952 0.000) 11.102 21.164 ( -1.141 -7.875 0.000) 7.957 23.162 ( -19.667 -31.109 0.000) 36.804======================= Grid point 84 (35/240) =======================q-point: ( 0.32 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.080 ( 17.060 32.517 0.000) 36.721 9.217 ( -7.816 49.140 0.000) 49.758 11.659 ( -13.329 -4.089 0.000) 13.942 12.089 ( 0.686 22.527 0.000) 22.538 13.290 ( 33.467 13.502 0.000) 36.088 14.914 ( 4.619 -15.724 0.000) 16.388 18.977 ( 2.770 6.983 0.000) 7.512 19.383 ( 7.190 -3.421 0.000) 7.962 20.386 ( -2.548 9.268 0.000) 9.612 20.634 ( -6.242 8.868 0.000) 10.844 21.137 ( 6.229 -5.169 0.000) 8.095 22.550 ( -18.870 -25.688 0.000) 31.874======================= Grid point 85 (36/240) =======================q-point: ( 0.37 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.404 ( -20.389 46.467 0.000) 50.743 9.593 ( 2.240 25.668 0.000) 25.766 11.376 ( -4.325 -13.230 0.000) 13.919 12.277 ( -13.448 33.823 0.000) 36.398 13.880 ( 26.328 -3.048 0.000) 26.504 14.746 ( 1.225 -22.765 0.000) 22.798 19.063 ( 0.138 4.826 0.000) 4.828 19.480 ( 7.301 -5.415 0.000) 9.090 20.447 ( -2.999 12.481 0.000) 12.837 20.568 ( -7.970 5.056 0.000) 9.438 21.240 ( 9.394 -5.322 0.000) 10.797 22.087 ( -10.197 -13.020 0.000) 16.538======================= Grid point 102 (37/240) =======================q-point: ( 0.26 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.078 ( 19.796 34.287 0.000) 39.591 9.572 ( 19.604 33.956 0.000) 39.209 11.740 ( -11.874 -20.566 0.000) 23.748 12.188 ( 17.027 29.491 0.000) 34.054 13.079 ( 14.746 25.542 0.000) 29.493 14.779 ( -5.318 -9.211 0.000) 10.636 18.994 ( 4.201 7.276 0.000) 8.401 19.297 ( -0.237 -0.410 0.000) 0.474 20.450 ( 2.522 4.368 0.000) 5.043 20.769 ( 4.452 7.710 0.000) 8.903 21.028 ( -2.895 -5.013 0.000) 5.789 22.584 ( -15.845 -27.445 0.000) 31.690======================= Grid point 103 (38/240) =======================q-point: ( 0.32 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1086Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.690 ( 13.608 30.344 0.000) 33.255 10.071 ( -1.215 36.307 0.000) 36.327 11.322 ( -10.955 -22.226 0.000) 24.780 12.686 ( 5.740 29.990 0.000) 30.534 13.521 ( 16.327 10.366 0.000) 19.340 14.530 ( -4.251 -22.745 0.000) 23.139 19.110 ( 1.282 6.365 0.000) 6.493 19.333 ( 4.638 -1.930 0.000) 5.024 20.536 ( 1.837 6.796 0.000) 7.040 20.791 ( -9.331 6.579 0.000) 11.417 21.032 ( 8.372 -6.115 0.000) 10.367 22.126 ( -11.186 -16.945 0.000) 20.304======================= Grid point 104 (39/240) =======================q-point: ( 0.37 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.000 ( -11.897 20.606 0.000) 23.794 10.243 ( -18.292 31.682 0.000) 36.583 11.068 ( 9.294 -16.097 0.000) 18.588 12.895 ( -15.024 26.023 0.000) 30.048 13.760 ( 4.129 -7.152 0.000) 8.258 14.321 ( 11.209 -19.414 0.000) 22.417 19.153 ( -2.491 4.315 0.000) 4.982 19.371 ( 3.145 -5.447 0.000) 6.289 20.634 ( -2.813 4.872 0.000) 5.626 20.688 ( -5.130 8.886 0.000) 10.261 21.085 ( 5.649 -9.784 0.000) 11.297 21.936 ( 2.001 -3.466 0.000) 4.002======================= Grid point 123 (40/240) =======================q-point: ( 0.32 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 10.250 ( 14.785 25.609 0.000) 29.570 10.573 ( 7.967 13.798 0.000) 15.933 10.864 ( -13.363 -23.145 0.000) 26.726 13.166 ( 9.539 16.523 0.000) 19.079 13.704 ( 5.242 9.079 0.000) 10.483 14.081 ( -11.911 -20.630 0.000) 23.822 19.214 ( 2.252 3.900 0.000) 4.504 19.297 ( -1.092 -1.891 0.000) 2.183 20.677 ( 4.529 7.844 0.000) 9.057 20.845 ( -2.551 -4.419 0.000) 5.103 20.918 ( -1.033 -1.789 0.000) 2.065 21.909 ( -3.103 -5.374 0.000) 6.206======================= Grid point 379 (41/240) =======================q-point: ( 0.00 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( 0.000 0.000 57.730) 57.730 1.171 ( -0.000 -0.000 57.730) 57.730 2.186 ( 0.000 0.000 108.398) 108.398 6.988 ( 0.000 0.000 -7.460) 7.460 6.988 ( -0.000 -0.000 -7.460) 7.460 15.899 ( -0.000 -0.000 -35.271) 35.271 19.640 ( 0.000 -0.000 0.460) 0.460 19.640 ( 0.000 0.000 0.460) 0.460 19.944 ( -0.000 0.000 -1.030) 1.030 19.944 ( 0.000 0.000 -1.030) 1.030 21.703 ( 0.000 -0.000 23.613) 23.613 26.030 ( 0.000 0.000 -6.909) 6.909======================= Grid point 380 (42/240) =======================q-point: ( 0.05 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( 35.833 20.688 41.404) 58.535 1.780 ( 25.589 14.774 60.179) 67.042 2.860 ( 68.633 39.625 64.165) 101.969 7.097 ( 9.513 5.492 -7.255) 13.164 7.330 ( 29.568 17.071 -7.816) 35.025 15.813 ( -7.494 -4.327 -34.647) 35.711 19.135 ( -35.605 -20.557 42.618) 59.217 19.634 ( -0.459 -0.265 0.468) 0.707 19.724 ( 6.543 3.777 0.582) 7.577 19.959 ( 1.220 0.704 -1.045) 1.754 21.690 ( -1.043 -0.602 23.619) 23.650 26.341 ( 9.900 5.716 -25.553) 27.994======================= Grid point 381 (43/240) =======================q-point: ( 0.11 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.529 ( 40.842 23.580 33.241) 57.698 2.567 ( 43.310 25.005 27.316) 56.984 4.651 ( 83.729 48.341 38.905) 104.216 7.405 ( 17.406 10.049 -6.797) 21.217 8.243 ( 49.234 28.425 -8.641) 57.503 15.575 ( -13.172 -7.605 -32.793) 36.148 18.657 ( -10.906 -6.297 31.163) 33.611 19.626 ( -0.152 -0.087 0.512) 0.541 19.915 ( 9.398 5.426 -0.524) 10.865 19.989 ( 1.253 0.723 -1.088) 1.810 21.662 ( -1.225 -0.707 23.437) 23.479 26.352 ( -6.725 -3.883 -18.232) 19.817======================= Grid point 382 (44/240) =======================q-point: ( 0.16 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.528 ( 46.304 26.734 14.427) 55.380 3.539 ( 42.129 24.323 20.690) 52.863 6.537 ( 82.846 47.831 30.735) 100.479 7.860 ( 22.374 12.917 -6.352) 26.604 9.453 ( 56.295 32.502 -9.724) 65.727 15.242 ( -15.796 -9.120 -29.426) 34.621 18.518 ( -2.829 -1.633 20.465) 20.724 19.629 ( 0.387 0.223 0.603) 0.750 20.011 ( 0.579 0.334 -1.122) 1.306 20.104 ( 6.498 3.752 -0.945) 7.563 21.645 ( -0.119 -0.069 22.248) 22.248 26.101 ( -14.762 -8.523 -12.426) 21.094======================= Grid point 383 (45/240) =======================q-point: ( 0.21 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.441 ( 37.533 21.670 17.311) 46.669 4.581 ( 46.749 26.990 4.583) 54.175 8.359 ( 78.417 45.274 26.348) 94.304 8.387 ( 23.810 13.746 -6.026) 28.146 10.701 ( 52.650 30.398 -12.707) 62.109 14.899 ( -13.543 -7.819 -23.270) 28.036 18.497 ( 0.687 0.397 14.655) 14.676 19.641 ( 0.583 0.337 0.713) 0.981 20.017 ( 0.081 0.047 -1.111) 1.115 20.180 ( 0.040 0.023 0.252) 0.257 21.656 ( 0.835 0.482 19.014) 19.038 25.704 ( -20.276 -11.706 -9.012) 25.087======================= Grid point 384 (46/240) =======================q-point: ( 0.26 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.217 ( 31.087 17.948 15.407) 39.063 5.621 ( 45.329 26.171 -2.341) 52.394 8.908 ( 21.957 12.677 -5.783) 26.005 10.057 ( 71.952 41.541 23.909) 86.455 11.730 ( 35.981 20.774 -20.951) 46.531 14.705 ( -1.414 -0.816 -11.196) 11.314 18.541 ( 3.082 1.780 10.988) 11.550 19.651 ( 0.329 0.190 0.806) 0.891 20.019 ( 0.230 0.133 -1.050) 1.083 20.115 ( -5.294 -3.057 2.371) 6.557 21.663 ( -0.744 -0.430 14.313) 14.338 25.192 ( -25.100 -14.491 -6.896) 29.792======================= Grid point 385 (47/240) =======================q-point: ( 0.32 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.836 ( 23.833 13.760 14.279) 31.004 6.614 ( 42.456 24.512 -8.140) 49.695 9.358 ( 17.699 10.218 -5.578) 21.184 11.587 ( 62.895 36.312 21.307) 75.686 12.222 ( 8.023 4.632 -31.838) 33.159 14.918 ( 20.020 11.559 5.383) 23.736 18.632 ( 4.970 2.870 8.351) 10.133 19.654 ( -0.050 -0.029 0.886) 0.888 19.972 ( -6.535 -3.773 3.723) 8.415 20.031 ( 0.808 0.466 -0.987) 1.358 21.610 ( -4.011 -2.316 9.549) 10.613 24.574 ( -29.781 -17.194 -5.603) 34.842======================= Grid point 386 (48/240) =======================q-point: ( 0.37 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.291 ( 16.579 9.572 13.617) 23.493 7.520 ( 37.558 21.684 -13.004) 45.276 9.697 ( 12.249 7.072 -5.396) 15.138 12.102 ( -10.697 -6.176 -38.651) 40.577 12.970 ( 54.642 31.548 22.588) 67.017 15.466 ( 24.318 14.040 15.201) 31.930 18.759 ( 6.179 3.567 6.651) 9.754 19.651 ( -0.179 -0.103 0.989) 1.010 19.864 ( -2.104 -1.215 3.291) 4.091 20.054 ( 1.211 0.699 -0.992) 1.715 21.496 ( -5.433 -3.137 5.270) 8.193 23.854 ( -33.864 -19.552 -4.845) 39.402======================= Grid point 387 (49/240) =======================q-point: ( 0.42 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.587 ( 9.718 5.611 13.251) 17.364 8.278 ( 28.746 16.597 -16.483) 37.061 9.911 ( 6.830 3.944 -5.238) 9.468 11.786 ( -15.043 -8.685 -40.032) 43.638 14.098 ( 44.562 25.728 22.934) 56.336 15.855 ( 8.009 4.624 20.746) 22.714 18.904 ( 6.362 3.673 5.919) 9.434 19.648 ( -0.088 -0.051 1.102) 1.107 19.904 ( 5.314 3.068 1.502) 6.318 20.081 ( 1.071 0.619 -1.059) 1.628 21.415 ( -0.136 -0.079 1.555) 1.563 23.066 ( -35.311 -20.387 -4.402) 41.010======================= Grid point 388 (50/240) =======================q-point: ( 0.47 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.732 ( 3.201 1.848 13.085) 13.597 8.755 ( 11.850 6.842 -18.057) 22.656 10.010 ( 2.136 1.233 -5.138) 5.699 11.511 ( -7.476 -4.317 -40.408) 41.320 14.917 ( 24.866 14.356 21.689) 35.984 15.826 ( -7.517 -4.340 24.943) 26.411 19.020 ( 3.108 1.794 5.602) 6.653 19.647 ( -0.010 -0.006 1.176) 1.176 20.032 ( 4.000 2.310 0.625) 4.661 20.099 ( 0.424 0.245 -1.120) 1.223 21.551 ( 11.406 6.585 -1.098) 13.216 22.334 ( -26.052 -15.041 -4.187) 30.373======================= Grid point 399 (51/240) =======================q-point: ( 0.05 0.05 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( 21.380 37.031 40.619) 58.977 2.348 ( 26.494 45.889 29.611) 60.700 4.129 ( 46.811 81.079 42.996) 103.023 7.346 ( 10.532 18.242 -7.920) 22.504 7.917 ( 24.635 42.669 -7.406) 49.824 15.651 ( -6.893 -11.940 -33.399) 36.132 18.732 ( -8.813 -15.264 34.932) 39.127 19.679 ( 1.050 1.819 0.751) 2.231 19.782 ( 2.826 4.895 -0.511) 5.676 20.013 ( 2.434 4.216 -0.995) 4.968 21.670 ( -0.767 -1.328 23.534) 23.584 26.380 ( -2.198 -3.807 -20.321) 20.791======================= Grid point 400 (52/240) =======================q-point: ( 0.11 0.05 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.147 ( 34.158 38.813 18.718) 54.987 3.306 ( 30.957 47.047 21.980) 60.456 5.820 ( 64.264 68.106 33.698) 99.518 7.767 ( 13.544 25.419 -7.242) 29.699 8.933 ( 44.055 41.709 -8.365) 61.241 15.365 ( -11.556 -13.493 -30.820) 35.573 18.544 ( -3.491 -4.440 23.215) 23.892 19.690 ( -2.997 5.601 0.458) 6.369 19.908 ( 7.824 -1.151 -1.120) 7.987 20.103 ( 1.860 6.051 -0.842) 6.386 21.647 ( -0.502 -0.748 22.855) 22.873 26.200 ( -9.273 -11.835 -14.007) 20.549======================= Grid point 401 (53/240) =======================q-point: ( 0.16 0.05 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.135 ( 37.646 36.824 7.383) 53.177 4.271 ( 28.833 46.384 17.593) 57.379 7.571 ( 69.918 56.202 28.230) 94.043 8.282 ( 15.299 29.444 -6.219) 33.759 10.133 ( 50.460 36.407 -10.614) 63.122 15.024 ( -12.644 -12.644 -26.252) 31.764 18.493 ( -0.220 -0.643 16.299) 16.313 19.699 ( -2.895 6.453 0.432) 7.086 19.996 ( 3.469 -0.362 -1.395) 3.756 20.171 ( 0.917 1.469 -0.018) 1.732 21.644 ( 0.616 -0.148 20.564) 20.574 25.857 ( -14.567 -16.509 -10.018) 24.189======================= Grid point 402 (54/240) =======================q-point: ( 0.21 0.05 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.066 ( 25.981 39.636 9.206) 48.279 5.216 ( 35.402 38.620 6.003) 52.734 8.808 ( 15.671 28.904 -5.405) 33.320 9.282 ( 68.556 47.911 24.830) 87.247 11.266 ( 44.343 26.591 -16.113) 54.157 14.740 ( -7.063 -7.732 -17.557) 20.443 18.513 ( 2.035 1.362 12.091) 12.337 19.715 ( -3.102 6.902 0.522) 7.585 20.023 ( -0.293 0.263 -1.252) 1.313 20.152 ( -1.986 -2.465 1.753) 3.618 21.653 ( 0.628 -1.074 16.421) 16.468 25.394 ( -18.995 -19.949 -7.510) 28.551======================= Grid point 403 (55/240) =======================q-point: ( 0.26 0.05 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.789 ( 14.565 39.342 11.942) 43.618 6.196 ( 38.565 32.499 -4.137) 50.601 9.310 ( 10.926 27.999 -5.609) 30.574 10.852 ( 65.927 39.278 23.474) 80.251 12.035 ( 22.379 9.887 -27.424) 36.751 14.729 ( 10.662 3.606 -2.193) 11.467 18.584 ( 3.933 2.751 9.067) 10.259 19.725 ( -3.755 6.973 0.644) 7.946 19.962 ( -3.252 -6.886 1.555) 7.773 20.110 ( -2.528 3.706 0.870) 4.570 21.626 ( -1.530 -3.469 11.642) 12.243 24.828 ( -23.402 -22.648 -5.943) 33.105======================= Grid point 404 (56/240) =======================q-point: ( 0.32 0.05 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.332 ( 6.270 35.959 12.046) 38.438 7.133 ( 36.534 28.423 -10.281) 47.416 9.713 ( 5.471 25.695 -5.492) 26.839 12.125 ( 13.655 5.114 -22.061) 26.445 12.338 ( 43.693 21.126 8.260) 49.230 15.152 ( 26.363 11.523 11.428) 30.958 18.695 ( 5.390 3.558 6.787) 9.369 19.721 ( -3.993 5.601 0.766) 6.922 19.834 ( -2.037 -7.107 3.158) 8.039 20.124 ( -2.416 6.980 -0.146) 7.387 21.534 ( -3.892 -5.321 7.160) 9.733 24.162 ( -27.936 -24.575 -5.011) 37.543======================= Grid point 405 (57/240) =======================q-point: ( 0.37 0.05 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.707 ( -1.078 32.067 11.919) 34.227 7.965 ( 31.018 23.729 -14.776) 41.756 9.992 ( -0.413 22.775 -5.479) 23.428 11.933 ( -13.016 -10.588 -39.372) 42.798 13.519 ( 52.155 24.281 23.338) 62.084 15.664 ( 19.735 5.549 18.416) 27.558 18.830 ( 6.228 3.551 5.369) 8.957 19.712 ( -1.835 3.992 0.927) 4.491 19.792 ( 2.640 -2.277 2.056) 4.048 20.156 ( -2.542 7.927 -0.344) 8.332 21.421 ( -2.581 -4.178 3.233) 5.880 23.413 ( -31.509 -25.097 -4.472) 40.530======================= Grid point 406 (58/240) =======================q-point: ( 0.42 0.05 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.926 ( -7.765 28.216 11.823) 31.563 8.602 ( 19.275 16.436 -17.386) 30.724 10.147 ( -5.636 19.688 -5.648) 21.243 11.608 ( -11.520 -9.122 -39.654) 42.289 14.505 ( 39.905 15.556 22.895) 48.565 15.835 ( 0.876 -6.638 23.215) 24.161 18.963 ( 5.432 2.237 4.569) 7.442 19.726 ( -3.837 7.748 1.586) 8.791 19.874 ( 9.027 -3.806 -0.147) 9.798 20.188 ( -2.763 7.530 -0.191) 8.023 21.431 ( 7.058 1.880 0.017) 7.304 22.643 ( -30.462 -22.144 -4.141) 37.887======================= Grid point 407 (59/240) =======================q-point: ( 0.47 0.05 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.997 ( -14.146 24.502 11.790) 30.651 8.861 ( -2.324 4.025 -18.058) 18.646 10.194 ( -9.794 16.963 -5.852) 20.443 11.450 ( 0.936 -1.621 -39.727) 39.771 15.008 ( 3.656 -6.333 21.227) 22.451 15.717 ( 3.084 -5.342 26.390) 27.101 19.026 ( 0.589 -1.020 4.209) 4.370 19.731 ( -4.773 8.267 1.901) 9.734 19.944 ( 4.147 -7.182 -0.902) 8.343 20.203 ( -3.554 6.156 0.013) 7.109 21.616 ( 1.488 -2.577 -1.295) 3.246 22.146 ( 0.846 -1.465 -4.134) 4.467======================= Grid point 420 (60/240) =======================q-point: ( 0.11 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.988 ( 26.629 46.123 7.628) 53.801 4.292 ( 29.930 51.841 17.515) 62.371 7.226 ( 43.048 74.562 29.757) 91.094 8.330 ( 17.954 31.098 -6.815) 36.550 9.847 ( 29.358 50.850 -9.455) 59.473 15.070 ( -9.238 -16.001 -27.151) 32.842 18.491 ( -0.601 -1.041 16.794) 16.837 19.799 ( 2.562 4.437 0.301) 5.132 19.922 ( 1.720 2.979 -1.690) 3.833 20.176 ( 0.669 1.159 0.093) 1.342 21.637 ( -0.116 -0.202 21.041) 21.042 25.895 ( -11.027 -19.098 -10.329) 24.352======================= Grid point 421 (61/240) =======================q-point: ( 0.16 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.913 ( 31.201 42.140 -0.416) 52.436 5.271 ( 23.870 53.893 15.137) 60.855 8.665 ( 47.325 53.271 21.737) 74.498 8.977 ( 20.751 42.243 -0.626) 47.069 10.853 ( 36.791 36.684 -13.513) 53.683 14.775 ( -8.117 -11.968 -20.571) 25.145 18.499 ( 1.191 1.306 12.494) 12.618 19.856 ( -2.904 9.025 -0.085) 9.481 20.001 ( 3.867 0.376 -2.022) 4.380 20.152 ( -1.677 -2.872 2.264) 4.024 21.634 ( 0.103 -1.120 17.591) 17.627 25.466 ( -15.103 -23.269 -7.711) 28.792======================= Grid point 422 (62/240) =======================q-point: ( 0.21 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.840 ( 30.540 39.115 -6.654) 50.070 6.134 ( 16.418 53.342 13.645) 57.455 9.468 ( 11.540 37.474 -4.522) 39.470 10.209 ( 56.217 46.921 24.451) 77.200 11.709 ( 29.469 18.005 -22.395) 41.160 14.629 ( 1.867 -2.729 -8.495) 9.116 18.554 ( 2.882 2.921 9.298) 10.163 19.880 ( -4.503 7.056 -0.622) 8.393 19.972 ( -4.407 -3.759 1.760) 6.054 20.150 ( 1.857 3.025 1.044) 3.700 21.606 ( -0.798 -3.879 13.184) 13.766 24.937 ( -18.572 -26.460 -5.984) 32.876======================= Grid point 423 (63/240) =======================q-point: ( 0.26 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.643 ( 14.113 43.688 -3.218) 46.023 6.914 ( 22.384 43.178 3.911) 48.792 9.965 ( 3.701 37.926 -5.241) 38.465 11.576 ( 56.820 34.754 23.422) 70.603 12.113 ( 9.065 -1.464 -32.585) 33.854 14.845 ( 19.930 7.822 6.697) 22.433 18.650 ( 4.308 3.991 6.605) 8.838 19.768 ( -4.447 -9.505 1.706) 10.631 19.931 ( -5.836 10.629 1.794) 12.258 20.220 ( 0.040 7.005 0.070) 7.005 21.526 ( -2.419 -6.661 8.737) 11.250 24.324 ( -22.221 -28.480 -4.936) 36.459======================= Grid point 424 (64/240) =======================q-point: ( 0.32 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.167 ( -3.214 47.130 4.616) 47.464 7.723 ( 27.900 32.527 -9.000) 43.789 10.329 ( -3.602 36.190 -5.779) 36.825 12.006 ( -7.541 -10.618 -37.598) 39.789 12.843 ( 54.422 24.565 24.061) 64.375 15.333 ( 24.820 6.167 16.000) 30.167 18.771 ( 5.084 4.226 4.410) 7.947 19.636 ( 0.917 -8.862 1.539) 9.042 19.937 ( -6.556 11.958 1.898) 13.769 20.282 ( -1.966 8.866 -0.080) 9.082 21.410 ( -2.542 -7.064 4.736) 8.876 23.635 ( -25.942 -28.897 -4.339) 39.075======================= Grid point 425 (65/240) =======================q-point: ( 0.37 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.480 ( -12.655 45.163 6.782) 47.390 8.445 ( 22.518 25.568 -14.619) 37.074 10.547 ( -10.091 32.282 -7.231) 34.587 11.712 ( -12.112 -11.014 -37.422) 40.846 13.909 ( 47.361 15.657 24.228) 55.455 15.664 ( 11.604 -5.745 21.683) 25.255 18.897 ( 5.181 3.399 2.810) 6.804 19.653 ( 8.784 -5.308 -0.536) 10.277 19.943 ( -6.856 12.511 2.328) 14.455 20.321 ( -3.537 8.277 0.079) 9.001 21.347 ( 2.603 -3.091 1.404) 4.278 22.901 ( -27.816 -26.539 -3.968) 38.650======================= Grid point 426 (66/240) =======================q-point: ( 0.42 0.11 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.629 ( -19.889 41.959 7.412) 47.022 8.917 ( 6.801 15.898 -16.569) 23.949 10.625 ( -13.877 26.552 -10.214) 31.653 11.464 ( -6.530 -3.719 -35.060) 35.856 14.686 ( 29.817 2.393 23.069) 37.775 15.618 ( -1.353 -14.533 25.868) 29.701 18.994 ( 2.800 1.071 1.746) 3.469 19.767 ( 8.703 -6.059 -1.971) 10.786 19.948 ( -7.445 13.096 2.734) 15.310 20.326 ( -3.924 6.401 0.310) 7.514 21.473 ( 11.547 1.333 -0.767) 11.649 22.247 ( -19.795 -16.805 -3.722) 26.232======================= Grid point 440 (67/240) =======================q-point: ( 0.16 0.16 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.757 ( 25.296 43.815 -6.930) 51.065 6.300 ( 28.923 50.095 12.846) 59.255 9.545 ( 22.197 38.447 1.326) 44.414 9.974 ( 33.025 57.201 20.022) 69.018 11.518 ( 17.162 29.725 -20.495) 39.977 14.602 ( -2.502 -4.333 -10.818) 11.919 18.544 ( 1.931 3.344 9.348) 10.114 19.942 ( -3.990 -6.911 -0.610) 8.004 20.035 ( 4.449 7.707 -0.135) 8.900 20.125 ( 1.141 1.976 2.436) 3.338 21.592 ( -1.929 -3.341 13.778) 14.308 24.961 ( -16.223 -28.099 -5.937) 32.984======================= Grid point 441 (68/240) =======================q-point: ( 0.21 0.16 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.607 ( 26.748 39.438 -13.214) 49.451 7.189 ( 16.320 52.839 11.835) 56.554 10.223 ( 13.425 38.747 -2.832) 41.104 11.111 ( 41.035 45.519 24.398) 65.963 11.939 ( 10.834 5.059 -30.609) 32.862 14.663 ( 9.319 6.435 2.760) 11.656 18.628 ( 3.294 4.583 6.507) 8.613 19.755 ( -6.096 -11.196 1.960) 12.898 20.128 ( -3.513 11.100 0.839) 11.673 20.236 ( 5.702 5.433 0.181) 7.878 21.501 ( -2.846 -6.786 9.749) 12.214 24.378 ( -18.810 -30.459 -4.771) 36.115======================= Grid point 442 (69/240) =======================q-point: ( 0.26 0.16 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.408 ( 23.242 36.294 -18.707) 46.983 7.884 ( 5.645 52.638 11.492) 54.172 10.743 ( 1.856 40.553 -4.741) 40.871 11.974 ( -0.351 -8.979 -34.761) 35.904 12.236 ( 45.637 29.917 23.953) 59.595 15.005 ( 20.019 7.707 13.601) 25.400 18.740 ( 4.132 5.242 3.835) 7.698 19.558 ( -3.210 -10.895 1.952) 11.524 20.164 ( -5.203 11.829 1.392) 12.998 20.374 ( 1.884 8.872 -0.136) 9.071 21.374 ( -2.678 -8.676 5.963) 10.863 23.737 ( -21.293 -31.159 -4.095) 37.961======================= Grid point 443 (70/240) =======================q-point: ( 0.32 0.16 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.043 ( 6.148 39.376 -16.350) 43.077 8.456 ( 7.842 43.968 4.923) 44.932 11.054 ( -9.416 34.229 -10.476) 37.014 11.788 ( -7.468 -8.696 -32.623) 34.578 13.265 ( 46.332 18.710 25.692) 56.185 15.367 ( 16.796 -3.164 20.236) 26.488 18.860 ( 3.991 4.913 1.545) 6.516 19.474 ( 4.486 -7.404 -0.154) 8.658 20.187 ( -6.129 12.756 2.006) 14.293 20.460 ( -2.557 9.218 0.103) 9.566 21.272 ( 0.701 -6.815 2.706) 7.366 23.060 ( -23.318 -29.265 -3.688) 37.601======================= Grid point 444 (71/240) =======================q-point: ( 0.37 0.16 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.376 ( -13.414 43.653 -7.097) 46.216 8.986 ( 8.664 31.182 -6.330) 32.976 11.060 ( -13.144 9.104 -26.753) 31.167 11.657 ( -11.141 15.429 -17.394) 25.782 14.128 ( 39.274 6.749 25.356) 47.232 15.446 ( 3.936 -16.109 24.989) 29.991 18.964 ( 3.050 3.439 -0.238) 4.603 19.547 ( 9.788 -5.611 -2.656) 11.590 20.210 ( -6.659 14.138 2.659) 15.852 20.465 ( -5.348 6.467 0.480) 8.405 21.302 ( 8.252 -1.902 0.306) 8.473 22.412 ( -21.497 -22.566 -3.344) 31.345======================= Grid point 445 (72/240) =======================q-point: ( 0.42 0.16 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.472 ( -23.878 41.359 -4.404) 47.959 9.238 ( -10.459 18.116 -9.017) 22.779 10.955 ( -1.782 3.087 -34.009) 34.195 11.651 ( -14.954 25.901 -11.089) 31.897 14.569 ( 8.469 -14.669 24.142) 29.491 15.325 ( 8.202 -14.206 27.710) 32.201 19.011 ( -0.478 0.829 -1.003) 1.387 19.617 ( 5.254 -9.100 -3.594) 11.105 20.227 ( -8.492 14.708 3.088) 17.262 20.442 ( -3.310 5.733 0.507) 6.640 21.424 ( 4.061 -7.033 -0.595) 8.143 22.048 ( 1.854 -3.211 -3.160) 4.872======================= Grid point 461 (73/240) =======================q-point: ( 0.21 0.21 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.371 ( 22.252 38.542 -19.039) 48.406 8.139 ( 25.077 43.435 9.915) 51.126 10.945 ( 19.876 34.427 -1.337) 39.775 11.910 ( -4.188 -7.253 -36.483) 37.432 11.984 ( 25.290 43.804 24.825) 56.345 14.864 ( 7.559 13.093 12.402) 19.554 18.731 ( 3.430 5.941 3.664) 7.778 19.532 ( -6.231 -10.793 2.086) 12.636 20.286 ( 2.750 4.763 1.131) 5.614 20.391 ( 5.871 10.169 -0.304) 11.746 21.350 ( -4.778 -8.277 6.527) 11.573 23.762 ( -18.672 -32.340 -3.966) 37.553======================= Grid point 462 (74/240) =======================q-point: ( 0.26 0.21 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.097 ( 20.872 34.408 -24.638) 47.187 8.865 ( 9.072 46.231 9.267) 48.016 11.478 ( -4.107 27.698 -12.312) 30.588 11.747 ( 4.654 -6.805 -27.449) 28.661 12.817 ( 31.031 28.862 25.933) 49.684 15.110 ( 10.538 2.232 19.292) 22.096 18.853 ( 3.609 6.183 0.909) 7.217 19.369 ( -1.250 -7.863 0.260) 7.966 20.355 ( -1.105 7.368 1.409) 7.583 20.571 ( 2.040 10.987 -0.149) 11.176 21.201 ( -2.103 -8.663 3.833) 9.704 23.127 ( -19.580 -30.811 -3.457) 36.669======================= Grid point 463 (75/240) =======================q-point: ( 0.32 0.21 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.716 ( 12.918 31.443 -28.842) 44.580 9.365 ( -2.184 45.793 9.652) 46.850 11.252 ( -14.328 -13.018 -37.088) 41.837 12.043 ( -0.743 33.064 -4.030) 33.316 13.582 ( 33.916 14.033 26.999) 45.565 15.203 ( 5.868 -13.478 24.464) 28.540 18.962 ( 2.385 5.433 -1.435) 6.105 19.354 ( 6.237 -4.891 -2.702) 8.374 20.404 ( -2.152 9.061 1.773) 9.480 20.641 ( -5.875 9.193 0.580) 10.925 21.152 ( 5.246 -5.463 1.546) 7.730 22.520 ( -18.814 -25.326 -3.030) 31.695======================= Grid point 464 (76/240) =======================q-point: ( 0.37 0.21 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.087 ( -5.474 29.230 -28.281) 41.039 9.695 ( -9.820 39.680 9.100) 41.878 10.917 ( -5.266 -15.026 -40.375) 43.401 12.253 ( -14.375 35.748 -3.217) 38.664 14.175 ( 25.087 -1.713 26.937) 36.849 15.069 ( 1.990 -21.435 27.848) 35.198 19.032 ( 0.339 3.508 -3.003) 4.630 19.430 ( 7.198 -6.392 -4.712) 10.718 20.471 ( -2.188 11.962 2.199) 12.358 20.579 ( -8.436 5.531 1.060) 10.143 21.242 ( 8.899 -5.157 0.172) 10.286 22.061 ( -10.237 -12.619 -2.595) 16.455======================= Grid point 481 (77/240) =======================q-point: ( 0.26 0.26 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.745 ( 18.275 31.654 -29.604) 47.036 9.644 ( 19.031 32.963 6.457) 38.606 11.316 ( -11.552 -20.009 -37.238) 43.823 12.211 ( 17.195 29.783 -0.087) 34.391 13.356 ( 15.098 26.150 26.499) 40.174 15.069 ( -3.857 -6.681 24.446) 25.634 18.974 ( 3.410 5.906 -1.872) 7.072 19.270 ( -1.193 -2.066 -2.562) 3.500 20.464 ( 2.538 4.396 1.381) 5.261 20.768 ( 4.485 7.769 -0.163) 8.972 21.056 ( -3.076 -5.328 2.767) 6.746 22.555 ( -15.673 -27.147 -2.899) 31.480======================= Grid point 482 (78/240) =======================q-point: ( 0.32 0.26 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.303 ( 11.076 28.841 -33.707) 45.723 10.147 ( 3.436 32.063 4.143) 32.511 10.904 ( -12.954 -19.780 -34.725) 42.011 12.692 ( 3.594 30.260 -1.324) 30.502 13.825 ( 18.168 11.334 28.339) 35.520 14.860 ( -3.779 -20.756 28.320) 35.315 19.067 ( 0.909 5.131 -4.060) 6.606 19.279 ( 4.100 -3.013 -5.108) 7.210 20.550 ( 1.872 6.594 1.273) 6.972 20.801 ( -8.471 6.581 0.904) 10.765 21.046 ( 7.452 -5.858 1.452) 9.589 22.104 ( -11.058 -16.557 -2.290) 20.041======================= Grid point 483 (79/240) =======================q-point: ( 0.37 0.26 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.572 ( -12.132 21.013 -35.310) 42.843 10.394 ( -15.999 27.710 11.034) 33.846 10.600 ( 8.926 -15.461 -41.284) 44.979 12.877 ( -14.734 25.519 -2.741) 29.594 14.093 ( 2.840 -4.919 29.798) 30.334 14.663 ( 10.706 -18.543 29.756) 36.659 19.100 ( -2.018 3.495 -4.999) 6.424 19.306 ( 3.391 -5.874 -6.026) 9.073 20.640 ( -2.785 4.824 0.487) 5.591 20.712 ( -4.886 8.463 2.181) 10.012 21.094 ( 5.316 -9.207 0.853) 10.666 21.917 ( 1.852 -3.208 -1.918) 4.172======================= Grid point 502 (80/240) =======================q-point: ( 0.32 0.32 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.831 ( 13.768 23.846 -37.282) 46.348 10.375 ( -8.573 -14.848 -37.402) 41.145 10.704 ( 3.373 5.843 6.446) 9.331 13.145 ( 7.942 13.756 -3.181) 16.199 14.049 ( 7.032 12.180 31.041) 34.079 14.444 ( -11.312 -19.593 31.291) 38.613 19.152 ( 1.881 3.257 -5.825) 6.934 19.229 ( -1.224 -2.120 -6.353) 6.808 20.686 ( 4.303 7.453 0.698) 8.635 20.847 ( -2.470 -4.278 -0.000) 4.940 20.948 ( -0.866 -1.499 2.890) 3.369 21.892 ( -2.992 -5.182 -1.664) 6.211======================= Grid point 758 (81/240) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 0.000 0.000 54.994) 54.994 2.305 ( 0.000 0.000 54.994) 54.994 4.340 ( -0.000 0.000 106.056) 106.056 6.763 ( 0.000 0.000 -15.048) 15.048 6.763 ( 0.000 0.000 -15.048) 15.048 14.941 ( -0.000 -0.000 -58.255) 58.255 19.655 ( -0.000 -0.000 0.979) 0.979 19.655 ( -0.000 0.000 0.979) 0.979 19.914 ( -0.000 -0.000 -1.898) 1.898 19.914 ( 0.000 0.000 -1.898) 1.898 22.309 ( 0.000 -0.000 34.838) 34.838 25.823 ( -0.000 0.000 -13.667) 13.667======================= Grid point 759 (82/240) =======================q-point: ( 0.05 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( 23.444 13.535 49.450) 56.375 2.885 ( 36.914 21.312 50.092) 65.773 4.547 ( 25.253 14.580 96.082) 100.410 6.877 ( 9.995 5.770 -14.678) 18.672 7.102 ( 29.197 16.857 -14.926) 36.870 14.870 ( -6.105 -3.525 -57.362) 57.793 19.611 ( -15.747 -9.091 10.053) 20.777 19.649 ( -0.410 -0.237 1.031) 1.135 19.754 ( 2.303 1.330 2.693) 3.784 19.929 ( 1.160 0.670 -1.960) 2.374 22.297 ( -1.049 -0.606 34.852) 34.873 25.906 ( 4.622 2.669 -19.712) 20.422======================= Grid point 760 (83/240) =======================q-point: ( 0.11 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.268 ( 35.011 20.214 40.206) 57.016 3.549 ( 24.550 14.174 59.344) 65.767 5.649 ( 67.136 38.761 60.624) 98.413 7.198 ( 18.043 10.417 -13.824) 25.003 8.001 ( 48.285 27.877 -15.415) 57.846 14.681 ( -10.195 -5.886 -54.481) 55.738 19.224 ( -14.555 -8.403 22.665) 28.216 19.642 ( -0.055 -0.032 1.161) 1.163 19.906 ( 8.256 4.767 -0.300) 9.538 19.957 ( 1.185 0.684 -2.082) 2.492 22.266 ( -1.650 -0.953 34.698) 34.750 25.934 ( -2.923 -1.687 -22.170) 22.426======================= Grid point 761 (84/240) =======================q-point: ( 0.16 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.097 ( 37.450 21.622 33.374) 54.625 4.155 ( 30.160 17.413 46.527) 58.117 7.304 ( 76.509 44.173 44.215) 98.792 7.667 ( 22.900 13.221 -12.936) 29.437 9.177 ( 53.897 31.118 -17.645) 64.688 14.440 ( -10.284 -5.937 -48.696) 50.123 18.979 ( -7.597 -4.386 22.939) 24.559 19.648 ( 0.507 0.293 1.312) 1.436 19.977 ( 0.567 0.327 -2.143) 2.241 20.079 ( 6.326 3.652 -1.571) 7.472 22.225 ( -1.947 -1.124 33.675) 33.750 25.774 ( -10.956 -6.326 -19.334) 23.105======================= Grid point 762 (85/240) =======================q-point: ( 0.21 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.896 ( 34.892 20.145 28.402) 49.294 4.918 ( 34.820 20.103 29.073) 49.616 8.204 ( 24.192 13.967 -12.240) 30.498 9.023 ( 75.177 43.403 37.837) 94.694 10.329 ( 45.960 26.535 -24.134) 58.301 14.273 ( -2.881 -1.664 -37.489) 37.637 18.862 ( -3.071 -1.773 20.113) 20.423 19.662 ( 0.696 0.402 1.450) 1.658 19.984 ( 0.142 0.082 -2.092) 2.098 20.168 ( 1.384 0.799 -1.595) 2.258 22.172 ( -3.023 -1.745 30.817) 31.014 25.452 ( -17.446 -10.073 -15.715) 25.550======================= Grid point 763 (86/240) =======================q-point: ( 0.26 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.646 ( 29.448 17.002 26.403) 43.050 5.700 ( 35.964 20.764 12.643) 43.409 8.733 ( 22.255 12.849 -11.722) 28.245 10.662 ( 69.176 39.939 33.490) 86.613 11.137 ( 24.227 13.988 -36.344) 45.863 14.401 ( 15.977 9.224 -18.416) 26.067 18.830 ( 0.032 0.018 16.801) 16.801 19.675 ( 0.424 0.245 1.573) 1.648 19.989 ( 0.322 0.186 -1.969) 2.003 20.143 ( -3.390 -1.957 -0.188) 3.919 22.076 ( -5.823 -3.362 25.878) 26.737 24.993 ( -23.186 -13.386 -12.761) 29.659======================= Grid point 764 (87/240) =======================q-point: ( 0.32 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.236 ( 22.840 13.187 24.744) 36.164 6.499 ( 34.667 20.015 -0.570) 40.034 9.189 ( 17.953 10.365 -11.312) 23.616 11.335 ( -1.089 -0.629 -48.709) 48.725 12.201 ( 63.317 36.556 32.451) 79.991 14.981 ( 33.003 19.054 -0.334) 38.110 18.860 ( 2.593 1.497 13.676) 13.999 19.681 ( 0.065 0.038 1.716) 1.717 20.002 ( 0.844 0.487 -1.879) 2.117 20.036 ( -5.461 -3.153 1.721) 6.536 21.904 ( -9.358 -5.403 19.512) 22.304 24.409 ( -28.585 -16.504 -10.710) 34.701======================= Grid point 765 (88/240) =======================q-point: ( 0.37 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.674 ( 15.998 9.237 23.733) 30.075 7.248 ( 31.389 18.122 -11.475) 38.018 9.533 ( 12.475 7.202 -10.959) 18.100 11.149 ( -13.244 -7.646 -53.463) 55.608 13.545 ( 55.343 31.952 32.806) 71.833 15.745 ( 31.596 18.242 10.348) 37.923 18.945 ( 4.871 2.812 11.368) 12.683 19.680 ( -0.032 -0.018 1.910) 1.910 19.932 ( -2.870 -1.657 2.682) 4.263 20.025 ( 1.151 0.664 -1.912) 2.328 21.670 ( -10.639 -6.142 12.385) 17.444 23.711 ( -33.139 -19.133 -9.393) 39.402======================= Grid point 766 (89/240) =======================q-point: ( 0.42 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.959 ( 9.409 5.432 23.147) 25.570 7.890 ( 24.830 14.336 -19.599) 34.729 9.752 ( 7.011 4.048 -10.654) 13.381 10.811 ( -15.349 -8.862 -53.899) 56.738 14.673 ( 44.072 25.445 32.341) 60.297 16.280 ( 13.849 7.996 18.647) 24.565 19.071 ( 5.918 3.417 10.398) 12.442 19.681 ( 0.037 0.021 2.108) 2.108 19.942 ( 3.989 2.303 1.997) 5.020 20.050 ( 0.976 0.563 -2.035) 2.326 21.476 ( -4.906 -2.832 4.953) 7.524 22.936 ( -34.839 -20.114 -8.517) 41.121======================= Grid point 767 (90/240) =======================q-point: ( 0.47 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.100 ( 3.102 1.791 22.871) 23.149 8.310 ( 10.679 6.166 -23.898) 26.892 9.854 ( 2.208 1.275 -10.459) 10.765 10.530 ( -7.688 -4.439 -53.753) 54.481 15.466 ( 23.067 13.318 30.880) 40.780 16.362 ( -3.690 -2.130 25.375) 25.730 19.179 ( 2.880 1.663 10.040) 10.576 19.682 ( 0.037 0.021 2.228) 2.229 20.058 ( 4.008 2.314 1.915) 5.009 20.066 ( 0.380 0.219 -2.140) 2.184 21.526 ( 9.213 5.319 -1.215) 10.707 22.211 ( -26.049 -15.039 -7.933) 31.107======================= Grid point 778 (91/240) =======================q-point: ( 0.05 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.093 ( 20.662 35.788 42.152) 59.030 3.385 ( 14.344 24.845 58.506) 65.161 5.255 ( 33.778 58.506 69.239) 96.736 7.122 ( 10.645 18.438 -14.342) 25.670 7.694 ( 24.506 42.446 -14.804) 51.200 14.740 ( -5.441 -9.425 -55.478) 56.536 19.309 ( -9.605 -16.637 20.654) 28.207 19.704 ( 0.721 1.249 1.768) 2.282 19.775 ( 2.299 3.982 -0.125) 4.600 19.983 ( 2.431 4.211 -2.027) 5.269 22.275 ( -0.906 -1.568 34.784) 34.831 25.943 ( -0.428 -0.742 -22.253) 22.270======================= Grid point 779 (92/240) =======================q-point: ( 0.11 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.864 ( 22.668 33.623 41.385) 57.940 3.924 ( 25.704 29.771 45.470) 60.121 6.657 ( 57.208 61.357 48.379) 96.840 7.560 ( 14.889 25.702 -13.095) 32.462 8.687 ( 41.967 41.151 -16.063) 60.931 14.524 ( -8.243 -9.668 -51.210) 52.763 19.038 ( -7.028 -9.170 23.183) 25.903 19.705 ( -3.035 5.319 1.087) 6.220 19.885 ( 7.127 -1.516 -1.067) 7.364 20.074 ( 2.077 6.035 -2.105) 6.720 22.239 ( -1.405 -1.794 34.201) 34.277 25.844 ( -6.262 -8.049 -20.439) 22.842======================= Grid point 780 (93/240) =======================q-point: ( 0.16 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.542 ( 28.123 25.030 33.898) 50.661 4.765 ( 25.921 42.320 30.626) 58.316 8.064 ( 21.567 29.313 -8.581) 37.390 8.310 ( 60.278 54.406 36.453) 89.006 9.821 ( 46.095 33.630 -20.366) 60.585 14.312 ( -5.888 -6.465 -42.986) 43.866 18.887 ( -3.389 -4.445 21.061) 21.791 19.714 ( -2.514 5.950 1.073) 6.548 19.963 ( 3.230 -0.486 -1.835) 3.747 20.152 ( 1.636 2.490 -1.898) 3.533 22.191 ( -1.936 -2.541 32.225) 32.383 25.581 ( -12.045 -13.589 -16.895) 24.803======================= Grid point 781 (94/240) =======================q-point: ( 0.21 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.290 ( 31.095 24.078 18.620) 43.513 5.580 ( 21.153 42.326 26.201) 54.088 8.634 ( 15.031 29.458 -11.822) 35.120 9.919 ( 66.773 47.194 36.317) 89.470 10.793 ( 34.620 19.896 -30.545) 50.273 14.273 ( 6.239 2.398 -27.731) 28.526 18.825 ( -0.576 -1.746 17.829) 17.924 19.732 ( -2.616 6.375 1.212) 6.997 19.990 ( 0.142 0.404 -2.029) 2.074 20.165 ( -0.885 -0.938 -0.797) 1.516 22.114 ( -3.536 -4.470 28.222) 28.792 25.179 ( -17.222 -17.856 -13.651) 28.315======================= Grid point 782 (95/240) =======================q-point: ( 0.26 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.027 ( 27.517 23.070 9.891) 37.246 6.307 ( 18.473 39.127 18.876) 47.207 9.140 ( 11.018 28.316 -11.419) 32.459 11.257 ( 15.138 6.957 -35.991) 39.660 11.490 ( 60.064 35.472 25.649) 74.323 14.633 ( 26.398 14.200 -7.819) 30.978 18.828 ( 1.815 -0.104 14.431) 14.545 19.745 ( -3.258 6.409 1.382) 7.321 19.968 ( -1.330 -3.534 -1.065) 3.923 20.128 ( -3.068 2.042 0.256) 3.694 21.974 ( -6.406 -7.143 22.475) 24.437 24.654 ( -22.303 -21.225 -11.267) 32.785======================= Grid point 783 (96/240) =======================q-point: ( 0.32 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.625 ( 14.845 24.940 13.226) 31.895 6.995 ( 22.466 31.352 2.444) 38.647 9.545 ( 5.597 25.575 -11.285) 28.509 11.255 ( -7.269 -6.963 -51.674) 52.645 12.879 ( 59.624 32.350 33.337) 75.584 15.344 ( 35.275 17.354 5.902) 39.753 18.882 ( 4.146 0.777 11.334) 12.093 19.744 ( -3.295 4.589 1.408) 5.822 19.888 ( -1.655 -5.606 1.494) 6.033 20.121 ( -3.134 6.983 -0.288) 7.659 21.763 ( -8.840 -8.883 15.692) 20.082 24.014 ( -27.319 -23.636 -9.710) 37.406======================= Grid point 784 (97/240) =======================q-point: ( 0.37 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.021 ( 3.614 24.987 17.168) 30.532 7.658 ( 22.833 24.291 -11.705) 35.332 9.822 ( -0.108 21.538 -11.706) 24.514 10.977 ( -14.238 -9.204 -52.644) 55.307 14.105 ( 51.606 25.091 33.095) 66.242 16.025 ( 25.925 9.851 14.895) 31.480 18.979 ( 6.295 0.638 9.154) 11.128 19.736 ( -0.355 1.838 1.325) 2.294 19.840 ( 0.092 -1.035 2.282) 2.507 20.148 ( -2.934 8.679 -0.497) 9.175 21.534 ( -7.321 -7.379 8.426) 13.381 23.280 ( -31.159 -24.440 -8.711) 40.548======================= Grid point 785 (98/240) =======================q-point: ( 0.42 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.245 ( -4.413 22.665 18.481) 29.576 8.198 ( 15.105 17.419 -19.593) 30.256 9.962 ( -4.651 15.450 -13.899) 21.296 10.661 ( -12.914 -4.658 -50.209) 52.052 15.079 ( 38.306 15.739 32.194) 52.455 16.327 ( 5.546 -3.053 22.784) 23.647 19.090 ( 6.403 -1.290 7.840) 10.204 19.772 ( -2.390 7.949 2.827) 8.769 19.872 ( 6.743 -4.522 -0.047) 8.119 20.186 ( -2.732 8.604 0.067) 9.027 21.442 ( 3.211 -0.323 1.411) 3.522 22.520 ( -30.273 -21.610 -7.974) 38.040======================= Grid point 786 (99/240) =======================q-point: ( 0.47 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.318 ( -11.160 19.329 18.780) 29.169 8.429 ( -3.668 6.353 -22.010) 23.200 9.988 ( -5.985 10.366 -17.172) 20.931 10.519 ( -2.965 5.136 -46.905) 47.278 15.553 ( 3.112 -5.391 30.808) 31.431 16.285 ( 2.742 -4.750 27.062) 27.612 19.143 ( 2.583 -4.474 7.195) 8.857 19.790 ( -5.750 9.959 3.923) 12.150 19.921 ( 4.973 -8.613 -1.378) 10.040 20.209 ( -3.841 6.653 0.719) 7.715 21.583 ( 1.344 -2.328 -1.853) 3.265 22.024 ( 0.616 -1.067 -7.838) 7.934======================= Grid point 799 (100/240) =======================q-point: ( 0.11 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.427 ( 18.125 31.393 36.705) 51.588 4.774 ( 27.479 47.595 29.402) 62.329 7.920 ( 35.279 61.104 28.350) 76.040 8.178 ( 24.043 41.644 0.959) 48.096 9.562 ( 27.190 47.094 -18.960) 57.590 14.332 ( -5.198 -9.003 -44.701) 45.894 18.893 ( -3.208 -5.556 21.214) 22.163 19.808 ( 2.362 4.091 0.673) 4.771 19.890 ( 1.462 2.532 -1.384) 3.235 20.156 ( 1.313 2.274 -2.173) 3.408 22.194 ( -1.669 -2.891 32.651) 32.821 25.613 ( -8.949 -15.500 -17.194) 24.818======================= Grid point 800 (101/240) =======================q-point: ( 0.16 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.092 ( 23.792 30.875 20.501) 44.041 5.691 ( 23.117 50.361 25.801) 61.126 8.717 ( 16.573 36.579 -10.667) 41.551 9.426 ( 49.777 58.874 37.392) 85.686 10.449 ( 30.634 29.640 -26.659) 50.276 14.224 ( 0.438 -1.373 -32.832) 32.864 18.819 ( -1.147 -2.418 18.114) 18.310 19.857 ( -2.769 8.059 0.204) 8.524 19.965 ( 3.897 0.354 -1.659) 4.251 20.166 ( -0.475 -0.704 -1.028) 1.333 22.119 ( -2.886 -4.981 29.411) 29.969 25.246 ( -13.471 -20.578 -13.900) 28.252======================= Grid point 801 (102/240) =======================q-point: ( 0.21 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.810 ( 26.108 28.539 6.362) 39.199 6.511 ( 14.821 51.327 23.301) 58.284 9.312 ( 10.045 38.777 -10.929) 41.521 10.839 ( 54.625 46.541 34.840) 79.773 11.079 ( 20.095 9.330 -38.071) 44.049 14.392 ( 15.726 10.240 -14.874) 23.946 18.802 ( 0.755 -0.552 14.574) 14.604 19.871 ( -3.617 4.260 -0.394) 5.602 19.985 ( -2.182 1.151 -0.422) 2.503 20.168 ( 0.761 2.174 0.152) 2.308 21.991 ( -4.844 -8.122 24.428) 26.195 24.762 ( -17.550 -24.533 -11.326) 32.220======================= Grid point 802 (103/240) =======================q-point: ( 0.26 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.511 ( 24.696 25.943 -4.579) 36.109 7.190 ( 7.337 49.808 20.402) 54.322 9.800 ( 2.917 38.079 -11.326) 39.834 11.247 ( 1.374 -5.007 -48.546) 48.823 12.209 ( 56.876 35.857 34.873) 75.741 14.937 ( 30.765 16.379 1.209) 34.874 18.830 ( 2.558 0.436 10.865) 11.170 19.785 ( -3.707 -7.445 -0.336) 8.324 19.975 ( -4.840 9.559 2.228) 10.943 20.221 ( -0.231 6.673 -0.116) 6.678 21.798 ( -6.897 -10.736 18.186) 22.216 24.177 ( -21.707 -27.145 -9.612) 36.061======================= Grid point 803 (104/240) =======================q-point: ( 0.32 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.122 ( 17.242 24.982 -9.076) 31.682 7.748 ( 4.644 44.991 13.635) 47.240 10.138 ( -4.398 32.700 -14.095) 35.880 11.099 ( -9.246 -7.191 -48.941) 50.323 13.453 ( 53.732 26.386 34.537) 69.109 15.631 ( 31.512 11.500 11.478) 35.454 18.893 ( 4.233 0.486 7.468) 8.598 19.658 ( 0.018 -9.616 0.168) 9.618 19.992 ( -5.877 12.081 3.351) 13.847 20.280 ( -1.963 9.030 -0.144) 9.242 21.568 ( -6.991 -10.647 11.288) 17.019 23.505 ( -25.722 -27.936 -8.547) 38.924======================= Grid point 804 (105/240) =======================q-point: ( 0.37 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.550 ( 3.236 26.542 -4.456) 27.107 8.240 ( 6.162 36.376 0.888) 36.905 10.258 ( -10.194 15.639 -25.695) 31.761 10.885 ( -13.030 6.489 -37.515) 40.240 14.515 ( 45.968 16.863 33.973) 59.595 16.112 ( 16.942 -1.100 20.034) 26.260 18.976 ( 5.342 -0.719 4.859) 7.257 19.635 ( 7.416 -7.611 -1.343) 10.711 20.011 ( -6.499 13.223 4.285) 15.344 20.324 ( -3.362 8.869 0.318) 9.490 21.402 ( -1.410 -5.743 4.397) 7.369 22.783 ( -27.698 -25.712 -7.787) 38.586======================= Grid point 805 (106/240) =======================q-point: ( 0.42 0.11 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.753 ( -9.324 26.181 0.641) 27.799 8.608 ( -1.657 26.251 -7.909) 27.467 10.150 ( -6.611 -0.707 -40.623) 41.163 10.811 ( -14.692 23.764 -22.915) 36.134 15.269 ( 27.343 3.080 32.657) 42.704 16.178 ( 1.635 -11.340 26.807) 29.152 19.043 ( 4.135 -3.020 3.127) 6.000 19.717 ( 9.004 -8.290 -2.912) 12.581 20.028 ( -7.433 14.067 5.117) 16.713 20.337 ( -3.904 6.755 0.878) 7.851 21.456 ( 9.556 0.746 -0.765) 9.616 22.137 ( -20.023 -16.095 -7.159) 26.669======================= Grid point 819 (107/240) =======================q-point: ( 0.16 0.16 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.726 ( 19.378 33.563 6.812) 39.349 6.661 ( 27.548 47.715 22.403) 59.477 9.441 ( 21.017 36.403 -9.793) 43.160 10.587 ( 34.538 59.822 36.859) 78.295 10.929 ( 10.547 18.268 -37.381) 42.923 14.308 ( 6.428 11.134 -17.844) 21.993 18.793 ( -0.169 -0.293 14.605) 14.609 19.917 ( -2.460 -4.261 -1.871) 5.264 20.032 ( 4.305 7.457 -0.096) 8.611 20.161 ( 0.808 1.399 0.637) 1.737 21.991 ( -4.767 -8.257 25.131) 26.879 24.788 ( -15.069 -26.100 -11.249) 32.169======================= Grid point 820 (108/240) =======================q-point: ( 0.21 0.16 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.386 ( 21.483 30.191 -5.682) 37.488 7.515 ( 16.431 49.993 19.991) 56.293 10.098 ( 11.093 40.561 -9.554) 43.123 11.136 ( 5.143 -2.255 -46.916) 47.250 11.750 ( 41.669 45.808 36.555) 71.910 14.675 ( 19.079 18.365 -2.498) 26.599 18.805 ( 1.203 0.824 10.653) 10.752 19.775 ( -5.235 -9.705 -0.545) 11.040 20.146 ( -1.962 11.110 0.827) 11.313 20.243 ( 4.607 4.958 0.380) 6.779 21.799 ( -6.384 -11.431 19.641) 23.605 24.236 ( -18.175 -29.044 -9.358) 35.517======================= Grid point 821 (109/240) =======================q-point: ( 0.26 0.16 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.027 ( 20.975 26.773 -16.290) 37.711 8.185 ( 4.965 50.443 17.963) 53.775 10.552 ( -3.938 34.856 -16.944) 38.956 11.122 ( 0.961 -4.256 -43.494) 43.712 12.875 ( 45.767 32.465 36.366) 66.866 15.247 ( 26.885 14.759 8.590) 31.850 18.847 ( 2.406 1.266 6.531) 7.074 19.586 ( -3.754 -11.472 0.186) 12.072 20.204 ( -4.165 11.990 2.414) 12.921 20.372 ( 1.957 8.735 -0.128) 8.953 21.567 ( -6.550 -12.554 13.409) 19.502 23.614 ( -21.048 -30.114 -8.183) 37.641======================= Grid point 822 (110/240) =======================q-point: ( 0.32 0.16 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.597 ( 16.453 23.890 -23.570) 37.376 8.681 ( -2.838 48.537 15.141) 50.923 10.548 ( -14.040 0.454 -41.546) 43.856 11.218 ( -4.870 27.440 -18.981) 33.718 13.909 ( 45.149 20.378 36.019) 61.246 15.772 ( 22.329 2.502 17.433) 28.439 18.905 ( 3.097 0.779 2.850) 4.280 19.463 ( 2.479 -9.927 -1.203) 10.302 20.245 ( -5.128 12.736 3.599) 14.193 20.464 ( -2.098 9.639 0.259) 9.868 21.366 ( -3.116 -9.613 7.020) 12.305 22.949 ( -23.226 -28.333 -7.398) 37.375======================= Grid point 823 (111/240) =======================q-point: ( 0.37 0.16 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.014 ( 5.566 21.346 -25.413) 33.652 9.053 ( -7.063 44.815 11.098) 46.706 10.244 ( -12.653 -10.780 -48.468) 51.239 11.382 ( -14.414 37.194 -11.940) 41.638 14.760 ( 37.173 8.154 35.138) 51.797 15.984 ( 7.911 -11.718 25.446) 29.110 18.960 ( 3.181 -0.673 0.038) 3.252 19.479 ( 8.727 -8.390 -3.970) 12.740 20.284 ( -5.587 13.947 4.507) 15.686 20.480 ( -5.345 6.998 1.013) 8.864 21.318 ( 5.430 -3.094 1.522) 6.432 22.312 ( -21.447 -21.537 -6.631) 31.109======================= Grid point 824 (112/240) =======================q-point: ( 0.42 0.16 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.170 ( -9.246 16.015 -24.363) 30.587 9.247 ( -21.684 37.557 10.856) 44.705 10.042 ( 4.081 -7.069 -52.333) 52.966 11.442 ( -21.187 36.697 -10.792) 43.727 15.177 ( 7.178 -12.433 34.029) 36.933 15.930 ( 7.505 -13.000 29.448) 33.053 18.987 ( 1.423 -2.465 -1.149) 3.070 19.525 ( 6.354 -11.006 -5.172) 13.721 20.313 ( -8.335 14.437 5.245) 17.476 20.456 ( -3.302 5.719 0.897) 6.664 21.409 ( 3.658 -6.336 -0.761) 7.356 21.954 ( 1.318 -2.283 -6.153) 6.694======================= Grid point 840 (113/240) =======================q-point: ( 0.21 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.977 ( 17.373 30.091 -16.832) 38.608 8.412 ( 23.675 41.007 16.476) 50.135 10.853 ( 20.360 35.264 -7.749) 41.450 11.005 ( -5.665 -9.812 -50.569) 51.823 12.633 ( 25.703 44.518 37.055) 63.368 15.080 ( 12.794 22.160 7.304) 26.610 18.833 ( 1.167 2.021 6.253) 6.674 19.562 ( -6.520 -11.292 0.187) 13.041 20.319 ( 2.964 5.133 1.997) 6.255 20.384 ( 5.878 10.181 -0.360) 11.762 21.558 ( -7.358 -12.744 14.290) 20.512 23.642 ( -18.151 -31.438 -7.986) 37.170======================= Grid point 841 (114/240) =======================q-point: ( 0.26 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.550 ( 17.236 26.649 -26.481) 41.334 9.095 ( 9.487 41.157 11.918) 43.886 10.735 ( -12.647 -9.984 -47.283) 49.953 11.486 ( 11.593 35.106 -8.591) 37.956 13.481 ( 31.471 29.661 37.451) 57.208 15.487 ( 15.448 9.165 15.760) 23.896 18.880 ( 1.791 2.142 1.848) 3.348 19.366 ( -3.038 -10.422 -0.886) 10.892 20.397 ( -0.533 7.342 2.677) 7.833 20.567 ( 2.557 10.975 -0.223) 11.271 21.327 ( -5.002 -11.441 9.002) 15.394 23.022 ( -19.312 -29.979 -7.060) 36.353======================= Grid point 842 (115/240) =======================q-point: ( 0.32 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.059 ( 13.174 23.510 -33.574) 43.052 9.543 ( -0.171 35.316 2.463) 35.402 10.402 ( -16.017 -7.103 -38.678) 42.462 11.921 ( -2.771 38.205 -8.346) 39.204 14.255 ( 33.172 15.393 37.328) 52.256 15.720 ( 9.956 -7.822 23.986) 27.123 18.927 ( 1.420 1.491 -1.855) 2.772 19.284 ( 4.109 -8.160 -4.048) 9.993 20.453 ( -1.439 8.176 2.937) 8.806 20.656 ( -4.694 9.799 0.825) 10.897 21.206 ( 2.108 -6.668 4.108) 8.110 22.428 ( -18.590 -24.290 -6.193) 31.208======================= Grid point 843 (116/240) =======================q-point: ( 0.37 0.21 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.403 ( 0.978 18.809 -36.708) 41.258 9.803 ( 3.831 12.860 -26.938) 30.095 10.094 ( -22.494 13.882 -9.970) 28.250 12.137 ( -15.389 37.650 -8.334) 41.518 14.838 ( 22.876 0.207 36.370) 42.966 15.683 ( 3.802 -18.083 30.129) 35.344 18.955 ( 0.854 0.222 -4.232) 4.323 19.310 ( 6.958 -8.682 -6.712) 12.994 20.521 ( -0.466 9.270 2.372) 9.580 20.613 ( -9.144 7.410 2.382) 12.008 21.250 ( 7.250 -4.847 0.761) 8.754 21.983 ( -10.272 -11.436 -5.206) 16.230======================= Grid point 860 (117/240) =======================q-point: ( 0.26 0.26 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.059 ( 14.606 25.299 -35.102) 45.668 9.709 ( 10.682 18.502 -9.531) 23.393 10.538 ( -3.463 -5.998 -28.001) 28.845 12.140 ( 17.191 29.775 -6.808) 35.049 14.035 ( 15.609 27.036 38.058) 49.224 15.580 ( -0.077 -0.133 23.434) 23.435 18.927 ( 1.393 2.413 -2.559) 3.783 19.204 ( -3.288 -5.696 -3.834) 7.613 20.503 ( 2.368 4.101 2.448) 5.331 20.761 ( 4.460 7.726 -0.485) 8.934 21.143 ( -3.853 -6.673 6.106) 9.832 22.466 ( -15.165 -26.266 -6.008) 30.919======================= Grid point 861 (118/240) =======================q-point: ( 0.32 0.26 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.514 ( 9.976 23.044 -41.387) 48.409 9.756 ( -3.855 -11.158 -46.835) 48.300 10.586 ( -4.670 22.973 9.986) 25.481 12.603 ( 2.005 30.042 -7.418) 31.009 14.525 ( 18.464 12.760 38.135) 44.250 15.481 ( -1.532 -15.904 30.278) 34.236 18.962 ( 0.032 2.101 -5.871) 6.236 19.149 ( 2.795 -5.543 -7.157) 9.475 20.579 ( 1.561 5.560 1.459) 5.956 20.819 ( -5.779 5.883 0.519) 8.263 21.095 ( 4.468 -4.979 3.682) 7.636 22.033 ( -10.618 -15.365 -4.733) 19.267======================= Grid point 862 (119/240) =======================q-point: ( 0.37 0.26 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.747 ( -9.217 15.965 -43.739) 47.465 9.617 ( 8.203 -14.208 -53.092) 55.569 10.674 ( -15.275 26.457 16.788) 34.858 12.770 ( -14.454 25.035 -7.937) 29.978 14.801 ( 1.513 -2.620 37.672) 37.793 15.331 ( 9.377 -16.242 33.489) 38.383 18.972 ( -0.886 1.534 -7.201) 7.416 19.154 ( 3.981 -6.896 -8.493) 11.642 20.646 ( -2.566 4.444 -0.026) 5.132 20.762 ( -3.828 6.630 2.316) 7.999 21.123 ( 4.142 -7.174 2.262) 8.587 21.859 ( 1.413 -2.448 -3.890) 4.809======================= Grid point 881 (120/240) =======================q-point: ( 0.32 0.32 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.947 ( 11.579 20.055 -47.170) 52.548 9.433 ( -10.425 -18.057 -51.492) 55.553 10.948 ( 6.081 10.533 16.074) 20.157 13.029 ( 6.940 12.020 -8.209) 16.125 14.777 ( 7.610 13.180 38.122) 41.048 15.144 ( -9.625 -16.672 35.210) 40.129 19.003 ( 1.051 1.820 -8.379) 8.638 19.068 ( -1.594 -2.760 -8.931) 9.483 20.694 ( 3.613 6.257 -0.110) 7.226 20.837 ( -2.383 -4.127 -1.131) 4.898 21.033 ( -0.457 -0.791 5.526) 5.601 21.841 ( -2.639 -4.570 -3.412) 6.284======================= Grid point 1137 (121/240) =======================q-point: ( 0.00 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.367 ( 0.000 0.000 50.610) 50.610 3.367 ( 0.000 0.000 50.610) 50.610 6.383 ( 0.000 0.000 -22.787) 22.787 6.383 ( 0.000 0.000 -22.787) 22.787 6.433 ( 0.000 0.000 102.241) 102.241 13.619 ( 0.000 -0.000 -72.482) 72.482 19.680 ( 0.000 -0.000 1.558) 1.558 19.680 ( -0.000 0.000 1.558) 1.558 19.870 ( 0.000 0.000 -2.475) 2.475 19.870 ( 0.000 -0.000 -2.475) 2.475 23.042 ( -0.000 0.000 37.161) 37.161 25.484 ( 0.000 0.000 -20.112) 20.112======================= Grid point 1138 (122/240) =======================q-point: ( 0.05 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.574 ( 17.647 10.188 48.114) 52.251 3.852 ( 36.867 21.285 46.510) 63.051 6.507 ( 10.717 6.188 -22.298) 25.502 6.518 ( 10.113 5.839 96.364) 97.069 6.732 ( 29.625 17.104 -20.010) 39.631 13.568 ( -4.300 -2.483 -71.401) 71.574 19.676 ( -0.262 -0.151 1.693) 1.720 19.707 ( -0.685 -0.396 2.356) 2.485 19.807 ( -1.890 -1.091 1.573) 2.691 19.882 ( 1.004 0.580 -2.616) 2.861 23.030 ( -1.073 -0.619 37.135) 37.155 25.495 ( 0.445 0.257 -21.992) 21.998======================= Grid point 1139 (123/240) =======================q-point: ( 0.11 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.113 ( 28.914 16.693 42.850) 54.321 4.684 ( 31.430 18.146 52.010) 63.421 6.848 ( 19.061 11.005 -21.110) 30.497 7.056 ( 40.460 23.360 76.779) 89.876 7.628 ( 47.413 27.374 -20.676) 58.522 13.445 ( -5.923 -3.419 -67.644) 67.989 19.560 ( -8.505 -4.910 11.769) 15.328 19.673 ( 0.113 0.065 1.945) 1.949 19.900 ( 6.543 3.777 -0.509) 7.572 19.907 ( 1.055 0.609 -2.854) 3.103 22.995 ( -2.005 -1.158 36.932) 37.005 25.473 ( -2.901 -1.675 -23.892) 24.125======================= Grid point 1140 (124/240) =======================q-point: ( 0.16 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.823 ( 33.027 19.068 37.832) 53.718 5.241 ( 20.516 11.845 57.917) 62.575 7.339 ( 23.820 13.752 -19.768) 33.872 8.282 ( 64.213 37.073 51.205) 90.109 8.755 ( 50.055 28.899 -22.702) 62.097 13.345 ( -1.678 -0.969 -59.392) 59.424 19.384 ( -6.859 -3.960 17.031) 18.783 19.682 ( 0.625 0.361 2.112) 2.232 19.926 ( 0.578 0.334 -2.933) 3.008 20.038 ( 5.130 2.962 -2.592) 6.466 22.937 ( -3.313 -1.913 36.116) 36.318 25.347 ( -8.459 -4.884 -22.950) 24.942======================= Grid point 1141 (125/240) =======================q-point: ( 0.21 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.562 ( 31.904 18.420 34.094) 50.195 5.694 ( 20.430 11.796 49.023) 54.404 7.894 ( 24.888 14.369 -18.637) 34.252 9.684 ( 42.792 24.706 -20.228) 53.392 9.883 ( 62.691 36.195 27.237) 77.344 13.449 ( 12.923 7.461 -43.593) 46.077 19.255 ( -4.525 -2.613 18.335) 19.066 19.699 ( 0.781 0.451 2.179) 2.358 19.935 ( 0.265 0.153 -2.817) 2.833 20.113 ( 1.325 0.765 -3.988) 4.271 22.835 ( -5.997 -3.463 34.075) 34.772 25.088 ( -14.603 -8.431 -20.304) 26.393======================= Grid point 1142 (126/240) =======================q-point: ( 0.26 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.171 ( 21.754 12.559 33.963) 42.243 6.237 ( 27.579 15.923 31.565) 44.838 8.436 ( 22.771 13.147 -17.798) 31.751 10.239 ( 10.959 6.327 -48.846) 50.458 11.415 ( 67.978 39.247 37.261) 86.890 13.981 ( 33.814 19.523 -23.359) 45.499 19.179 ( -2.251 -1.300 17.334) 17.528 19.714 ( 0.533 0.307 2.249) 2.332 19.942 ( 0.443 0.256 -2.645) 2.694 20.099 ( -2.336 -1.349 -4.143) 4.944 22.653 ( -10.367 -5.985 30.495) 32.760 24.688 ( -20.875 -12.052 -17.474) 29.771======================= Grid point 1143 (127/240) =======================q-point: ( 0.32 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.665 ( 21.896 12.642 17.950) 31.007 6.793 ( 21.663 12.507 29.923) 39.002 8.903 ( 18.365 10.603 -17.178) 27.290 10.270 ( -6.141 -3.546 -55.677) 56.126 12.894 ( 62.746 36.226 35.001) 80.464 14.884 ( 43.704 25.232 -9.429) 51.338 19.156 ( 0.281 0.162 15.279) 15.283 19.722 ( 0.244 0.141 2.420) 2.436 19.956 ( 0.854 0.493 -2.582) 2.764 20.023 ( -3.994 -2.306 -3.135) 5.577 22.364 ( -15.143 -8.743 25.414) 30.849 24.148 ( -26.956 -15.563 -15.167) 34.625======================= Grid point 1144 (128/240) =======================q-point: ( 0.37 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.148 ( 20.708 11.956 3.061) 24.107 7.210 ( 15.272 8.817 28.871) 33.831 9.256 ( 12.836 7.411 -16.670) 22.306 10.037 ( -13.338 -7.701 -55.918) 58.000 14.222 ( 54.650 31.552 33.543) 71.465 15.841 ( 38.947 22.486 -1.014) 44.984 19.197 ( 3.406 1.967 13.261) 13.832 19.727 ( 0.184 0.106 2.677) 2.686 19.946 ( -2.087 -1.205 -1.603) 2.894 19.979 ( 1.043 0.602 -2.676) 2.934 21.988 ( -17.547 -10.131 18.760) 27.612 23.481 ( -31.992 -18.471 -13.421) 39.304======================= Grid point 1145 (129/240) =======================q-point: ( 0.42 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.483 ( 8.998 5.195 28.215) 30.067 7.583 ( 17.323 10.001 -9.182) 22.010 9.482 ( 7.298 4.214 -16.238) 18.294 9.715 ( -14.197 -8.197 -53.636) 56.085 15.329 ( 42.726 24.668 31.791) 58.691 16.541 ( 21.273 12.282 6.847) 25.500 19.304 ( 5.667 3.272 12.403) 14.023 19.731 ( 0.203 0.117 2.916) 2.926 19.964 ( 4.211 2.431 -0.366) 4.876 20.001 ( 0.843 0.487 -2.842) 3.004 21.626 ( -12.785 -7.381 10.082) 17.877 22.729 ( -33.852 -19.544 -11.900) 40.860======================= Grid point 1146 (130/240) =======================q-point: ( 0.47 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.617 ( 2.965 1.712 27.883) 28.093 7.884 ( 7.942 4.585 -16.601) 18.965 9.456 ( -7.109 -4.104 -51.374) 52.025 9.589 ( 2.324 1.342 -15.963) 16.187 16.082 ( 21.187 12.232 28.998) 37.939 16.772 ( 1.002 0.579 14.691) 14.737 19.412 ( 2.908 1.679 12.826) 13.258 19.735 ( 0.097 0.056 3.051) 3.053 20.014 ( 0.322 0.186 -2.962) 2.986 20.097 ( 5.049 2.915 1.375) 5.991 21.514 ( 4.276 2.469 0.316) 4.948 22.026 ( -25.410 -14.671 -10.119) 31.037======================= Grid point 1157 (131/240) =======================q-point: ( 0.05 0.05 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.970 ( 16.730 28.977 44.111) 55.365 4.463 ( 19.894 34.458 48.939) 63.073 6.718 ( 11.439 19.813 4.675) 23.350 6.887 ( 17.308 29.978 59.792) 69.089 7.324 ( 24.356 42.186 -22.131) 53.504 13.481 ( -3.429 -5.939 -68.991) 69.331 19.587 ( -4.350 -7.535 8.517) 12.175 19.750 ( -0.199 -0.344 2.624) 2.654 19.778 ( 1.730 2.996 0.405) 3.483 19.933 ( 2.278 3.946 -2.890) 5.396 23.006 ( -1.030 -1.785 37.020) 37.078 25.486 ( -1.035 -1.793 -23.623) 23.714======================= Grid point 1158 (132/240) =======================q-point: ( 0.11 0.05 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.636 ( 22.828 35.521 39.066) 57.524 5.039 ( 18.591 17.248 57.132) 62.507 7.199 ( 17.277 25.126 -18.359) 35.593 7.790 ( 42.461 49.678 59.183) 88.167 8.291 ( 40.114 38.907 -22.906) 60.395 13.367 ( -3.176 -3.908 -63.077) 63.278 19.426 ( -5.100 -7.500 15.352) 17.831 19.734 ( -2.873 4.694 1.778) 5.784 19.865 ( 5.370 -1.264 -1.006) 5.608 20.019 ( 2.384 4.973 -3.336) 6.446 22.959 ( -2.095 -2.601 36.507) 36.659 25.402 ( -4.827 -6.112 -23.471) 24.729======================= Grid point 1159 (133/240) =======================q-point: ( 0.16 0.05 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.354 ( 20.428 29.548 39.539) 53.420 5.523 ( 20.663 21.877 48.426) 57.014 7.763 ( 17.447 29.194 -18.752) 38.837 9.148 ( 55.017 48.592 34.543) 81.125 9.338 ( 42.938 30.449 -18.431) 55.772 13.356 ( 4.719 3.093 -51.150) 51.460 19.285 ( -3.877 -5.545 17.901) 19.137 19.743 ( -2.009 5.268 1.807) 5.920 19.923 ( 2.168 0.095 -2.172) 3.071 20.094 ( 1.958 1.943 -3.970) 4.834 22.877 ( -3.844 -4.358 35.052) 35.530 25.196 ( -9.812 -10.903 -21.255) 25.825======================= Grid point 1160 (134/240) =======================q-point: ( 0.21 0.05 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.874 ( 20.500 13.342 38.315) 45.457 6.185 ( 18.463 37.789 33.460) 53.744 8.335 ( 15.312 30.264 -17.868) 38.336 10.037 ( 22.682 12.111 -42.377) 49.568 10.702 ( 63.332 45.205 38.971) 87.024 13.666 ( 22.954 15.089 -32.158) 42.293 19.187 ( -2.132 -4.035 17.515) 18.100 19.763 ( -2.062 5.732 1.922) 6.388 19.943 ( -0.070 0.454 -2.689) 2.728 20.116 ( -0.215 -0.017 -4.021) 4.026 22.732 ( -6.980 -7.340 32.195) 33.751 24.856 ( -15.212 -15.450 -18.387) 28.429======================= Grid point 1161 (135/240) =======================q-point: ( 0.26 0.05 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.350 ( 21.971 10.481 24.659) 34.650 6.819 ( 12.146 38.091 29.321) 49.580 8.851 ( 11.144 28.613 -17.398) 35.293 10.283 ( 2.296 -1.318 -52.982) 53.048 12.189 ( 62.889 39.357 36.252) 82.572 14.406 ( 39.752 23.375 -14.882) 48.458 19.134 ( 0.012 -3.128 15.492) 15.805 19.779 ( -2.611 5.217 1.863) 6.124 19.928 ( -0.804 -1.978 -2.766) 3.494 20.102 ( -2.499 2.833 -2.914) 4.771 22.490 ( -11.211 -10.819 27.842) 31.904 24.381 ( -20.863 -19.401 -15.862) 32.608======================= Grid point 1162 (136/240) =======================q-point: ( 0.32 0.05 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.813 ( 21.650 8.083 11.524) 25.824 7.333 ( 5.774 36.267 25.636) 44.787 9.255 ( 5.761 24.025 -17.994) 30.564 10.172 ( -9.353 -5.197 -54.486) 55.526 13.572 ( 58.450 32.751 34.524) 75.372 15.358 ( 43.198 22.734 -4.589) 49.030 19.129 ( 2.940 -2.768 12.844) 13.464 19.769 ( -1.644 0.084 0.588) 1.748 19.891 ( -1.723 0.102 -0.556) 1.814 20.102 ( -3.299 7.353 -1.892) 8.279 22.149 ( -14.795 -13.193 22.008) 29.619 23.776 ( -26.367 -22.333 -13.952) 37.264======================= Grid point 1163 (137/240) =======================q-point: ( 0.37 0.05 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.223 ( 18.426 5.435 3.118) 19.462 7.729 ( 0.880 33.880 19.542) 39.122 9.486 ( -0.204 10.672 -24.747) 26.951 9.942 ( -13.684 3.406 -45.827) 47.947 14.781 ( 50.255 25.342 33.095) 65.292 16.209 ( 32.929 14.776 3.101) 36.225 19.181 ( 6.518 -3.376 10.543) 12.846 19.749 ( 3.097 -4.510 -0.649) 5.509 19.881 ( -3.061 5.820 2.211) 6.937 20.132 ( -3.047 9.788 -1.293) 10.333 21.765 ( -14.385 -12.202 14.423) 23.745 23.067 ( -30.429 -23.430 -12.443) 40.370======================= Grid point 1164 (138/240) =======================q-point: ( 0.42 0.05 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.514 ( 10.403 2.958 2.786) 11.169 8.029 ( -2.755 30.144 9.488) 31.722 9.411 ( -5.251 -10.302 -43.642) 45.148 9.869 ( -11.770 22.496 -24.195) 35.072 15.726 ( 36.016 15.555 30.867) 49.919 16.678 ( 11.942 1.737 11.455) 16.639 19.264 ( 7.926 -6.102 9.202) 13.592 19.808 ( 7.480 -3.022 -0.745) 8.102 19.892 ( -3.401 7.064 3.250) 8.487 20.190 ( -1.958 10.270 0.009) 10.455 21.502 ( -3.971 -4.690 4.865) 7.838 22.329 ( -29.503 -20.628 -10.863) 37.602======================= Grid point 1165 (139/240) =======================q-point: ( 0.47 0.05 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.617 ( 0.398 -0.689 4.825) 4.890 8.170 ( -13.302 23.040 3.760) 26.868 9.287 ( 4.402 -7.625 -47.033) 47.850 9.888 ( -13.513 23.405 -19.729) 33.461 16.166 ( 2.526 -4.375 28.719) 29.160 16.731 ( 2.290 -3.967 16.652) 17.271 19.305 ( 5.342 -9.252 8.776) 13.825 19.881 ( 5.708 -9.886 -2.929) 11.786 19.889 ( -7.091 12.282 5.967) 15.386 20.233 ( -3.980 6.894 1.465) 8.095 21.548 ( 1.175 -2.035 -1.435) 2.753 21.844 ( 0.345 -0.597 -9.638) 9.663======================= Grid point 1178 (140/240) =======================q-point: ( 0.11 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.371 ( 10.327 17.887 54.024) 57.838 5.425 ( 24.855 43.050 34.473) 60.494 7.780 ( 18.999 32.908 -18.190) 42.128 8.917 ( 36.892 63.899 48.240) 88.155 9.085 ( 23.492 40.690 -28.615) 55.013 13.334 ( 1.120 1.940 -53.665) 53.712 19.289 ( -3.644 -6.311 17.578) 19.029 19.825 ( 2.064 3.575 0.951) 4.236 19.868 ( 1.245 2.156 -0.808) 2.618 20.089 ( 1.262 2.185 -4.462) 5.126 22.888 ( -2.841 -4.920 35.336) 35.790 25.223 ( -7.137 -12.362 -21.457) 25.771======================= Grid point 1179 (141/240) =======================q-point: ( 0.16 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.739 ( 13.510 16.855 42.310) 47.505 6.270 ( 22.164 45.785 31.125) 59.635 8.432 ( 16.076 37.913 -17.260) 44.651 9.786 ( 22.058 20.270 -38.427) 48.724 10.234 ( 47.973 56.047 41.256) 84.527 13.506 ( 12.344 13.277 -37.900) 42.013 19.182 ( -2.547 -4.805 17.370) 18.201 19.864 ( -2.161 6.032 0.384) 6.418 19.934 ( 2.755 1.128 -1.467) 3.318 20.113 ( 0.597 0.550 -4.117) 4.196 22.758 ( -5.293 -8.137 33.003) 34.401 24.918 ( -11.671 -17.578 -18.633) 28.149======================= Grid point 1180 (142/240) =======================q-point: ( 0.21 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.151 ( 16.516 15.133 27.648) 35.584 7.036 ( 14.143 47.315 28.222) 56.879 9.033 ( 9.333 39.850 -16.870) 44.269 10.169 ( 10.469 1.985 -49.254) 50.394 11.601 ( 53.797 46.414 37.965) 80.559 14.039 ( 29.123 22.909 -20.230) 42.216 19.108 ( -1.191 -3.967 15.286) 15.837 19.852 ( -2.821 -1.348 -1.927) 3.672 19.972 ( -1.561 6.212 -0.379) 6.416 20.146 ( 1.062 3.551 -2.305) 4.364 22.542 ( -8.587 -12.143 29.315) 32.872 24.487 ( -16.249 -22.119 -15.995) 31.767======================= Grid point 1181 (143/240) =======================q-point: ( 0.26 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.582 ( 17.904 12.983 12.962) 25.634 7.661 ( 5.496 46.587 25.397) 53.344 9.495 ( 1.056 34.329 -20.136) 39.812 10.231 ( -0.806 -1.492 -49.999) 50.028 12.934 ( 55.221 36.654 35.987) 75.418 14.871 ( 39.653 23.731 -7.965) 46.893 19.065 ( 0.658 -3.748 12.118) 12.702 19.751 ( -2.815 -8.084 -3.171) 9.129 20.015 ( -3.418 10.844 1.868) 11.522 20.207 ( -0.334 7.263 -1.398) 7.404 22.233 ( -11.864 -15.345 24.243) 31.047 23.940 ( -20.933 -25.358 -13.990) 35.734======================= Grid point 1182 (144/240) =======================q-point: ( 0.32 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.999 ( 17.373 10.687 0.153) 20.398 8.134 ( -1.687 44.122 21.881) 49.279 9.661 ( -7.890 8.733 -36.423) 38.277 10.234 ( -6.758 20.175 -32.160) 38.561 14.160 ( 52.219 27.311 34.646) 68.360 15.751 ( 38.232 17.050 0.169) 41.862 19.059 ( 3.176 -4.180 8.777) 10.227 19.632 ( 0.261 -10.189 -2.896) 10.595 20.062 ( -4.708 12.846 3.505) 14.123 20.272 ( -1.840 9.707 -0.833) 9.915 21.862 ( -13.077 -15.637 17.637) 26.955 23.293 ( -25.229 -26.571 -12.514) 38.718======================= Grid point 1183 (145/240) =======================q-point: ( 0.37 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.360 ( 13.754 8.151 -8.799) 18.249 8.477 ( -6.362 40.915 16.941) 44.739 9.471 ( -12.051 -7.185 -44.925) 47.065 10.359 ( -12.337 34.340 -19.554) 41.398 15.201 ( 43.939 17.523 33.048) 57.705 16.403 ( 23.807 4.755 8.235) 25.635 19.087 ( 5.547 -5.703 6.153) 10.057 19.591 ( 6.780 -9.580 -3.285) 12.188 20.106 ( -5.554 14.084 5.013) 15.948 20.331 ( -2.790 10.030 0.156) 10.412 21.536 ( -8.271 -10.539 9.216) 16.261 22.592 ( -27.175 -24.436 -11.139) 38.206======================= Grid point 1184 (146/240) =======================q-point: ( 0.42 0.11 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.589 ( 5.107 4.182 -12.364) 14.015 8.724 ( -12.048 39.722 14.501) 43.969 9.202 ( -6.872 -10.015 -46.674) 48.228 10.448 ( -17.652 35.341 -16.847) 42.946 15.919 ( 24.874 3.726 30.631) 39.634 16.618 ( 5.362 -7.275 16.188) 18.540 19.120 ( 5.778 -7.885 4.680) 10.838 19.648 ( 9.433 -10.469 -4.239) 14.716 20.146 ( -6.814 14.701 6.399) 17.421 20.363 ( -3.548 7.321 1.614) 8.294 21.452 ( 5.360 -1.098 0.589) 5.503 21.968 ( -19.780 -14.939 -9.462) 26.532======================= Grid point 1198 (147/240) =======================q-point: ( 0.16 0.16 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.085 ( 10.787 18.683 28.866) 36.037 7.166 ( 25.601 44.342 26.975) 57.873 9.185 ( 21.786 37.735 -15.513) 46.252 10.059 ( 4.581 7.935 -48.169) 49.033 11.359 ( 33.815 58.570 38.817) 77.978 13.900 ( 15.700 27.192 -22.678) 38.732 19.099 ( -2.179 -3.774 15.237) 15.848 19.866 ( -2.748 -4.760 -3.382) 6.454 20.032 ( 4.144 7.177 0.162) 8.289 20.147 ( 1.970 3.412 -1.894) 4.372 22.554 ( -7.384 -12.789 29.815) 33.271 24.514 ( -13.629 -23.605 -15.944) 31.578======================= Grid point 1199 (148/240) =======================q-point: ( 0.21 0.16 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.463 ( 13.219 16.672 14.219) 25.590 7.957 ( 15.498 45.231 22.887) 53.008 9.826 ( 4.230 38.070 -20.035) 43.228 10.151 ( 8.366 -1.033 -46.776) 47.529 12.503 ( 40.817 45.875 37.215) 71.802 14.545 ( 27.147 28.434 -10.511) 40.693 19.035 ( -1.162 -3.506 11.818) 12.382 19.729 ( -4.657 -9.171 -3.899) 11.000 20.160 ( 0.079 11.031 0.611) 11.048 20.244 ( 3.684 5.941 -0.462) 7.006 22.261 ( -10.152 -16.471 25.441) 31.962 24.003 ( -17.289 -27.158 -13.805) 35.030======================= Grid point 1200 (149/240) =======================q-point: ( 0.26 0.16 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.850 ( 14.462 14.415 0.284) 20.421 8.555 ( 4.519 42.001 16.086) 45.203 9.883 ( -10.538 2.654 -43.434) 44.773 10.522 ( 6.335 34.706 -18.965) 40.054 13.616 ( 44.581 33.308 36.155) 66.363 15.315 ( 33.178 21.457 -2.005) 39.562 18.993 ( 0.318 -3.612 7.808) 8.609 19.553 ( -3.492 -11.419 -3.454) 12.430 20.253 ( -2.450 12.388 2.287) 12.834 20.367 ( 1.846 8.984 -0.380) 9.180 21.905 ( -11.479 -17.708 19.776) 28.921 23.408 ( -20.585 -28.655 -12.292) 37.363======================= Grid point 1201 (150/240) =======================q-point: ( 0.32 0.16 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.223 ( 13.826 12.194 -11.566) 21.763 8.919 ( -2.538 28.388 -1.452) 28.539 9.701 ( -14.911 7.882 -29.076) 33.614 10.900 ( -5.894 41.030 -15.490) 44.251 14.635 ( 43.467 21.360 35.013) 59.763 16.009 ( 28.786 9.015 5.639) 30.687 18.975 ( 2.030 -4.279 4.138) 6.289 19.417 ( 1.413 -11.497 -3.522) 12.107 20.322 ( -3.715 12.660 3.799) 13.730 20.468 ( -1.381 10.257 0.109) 10.350 21.563 ( -9.093 -14.347 12.620) 21.160 22.764 ( -22.843 -26.961 -11.039) 37.021======================= Grid point 1202 (151/240) =======================q-point: ( 0.37 0.16 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.531 ( 9.166 9.316 -19.630) 23.583 9.016 ( -1.412 0.446 -36.402) 36.432 9.590 ( -21.315 32.843 5.838) 39.586 11.121 ( -15.531 41.721 -14.532) 46.829 15.460 ( 34.754 8.864 33.149) 48.839 16.391 ( 13.607 -5.782 14.223) 20.516 18.974 ( 3.432 -5.594 1.533) 6.740 19.390 ( 7.773 -10.878 -4.946) 14.255 20.380 ( -3.985 12.882 4.732) 14.291 20.506 ( -4.892 7.941 1.545) 9.454 21.374 ( -0.055 -5.957 4.439) 7.429 22.149 ( -20.925 -19.932 -9.502) 30.420======================= Grid point 1203 (152/240) =======================q-point: ( 0.42 0.16 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.665 ( -2.009 3.479 -22.356) 22.714 8.983 ( 5.117 -8.863 -51.015) 52.031 9.581 ( -24.984 43.273 20.474) 54.000 11.193 ( -22.790 39.473 -14.278) 47.763 15.851 ( 6.198 -10.735 31.461) 33.815 16.429 ( 6.481 -11.226 19.263) 23.218 18.977 ( 3.721 -6.444 0.492) 7.458 19.415 ( 7.413 -12.840 -5.851) 15.939 20.426 ( -7.697 13.331 5.631) 16.391 20.482 ( -3.095 5.360 1.804) 6.447 21.399 ( 3.067 -5.311 -0.080) 6.134 21.807 ( 0.631 -1.094 -8.225) 8.322======================= Grid point 1219 (153/240) =======================q-point: ( 0.21 0.21 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.797 ( 10.119 17.527 0.547) 20.246 8.730 ( 18.377 31.831 11.098) 38.394 10.003 ( -2.279 -3.948 -44.436) 44.669 10.643 ( 20.876 36.159 -13.031) 43.739 13.388 ( 25.759 44.616 36.790) 63.306 15.126 ( 17.528 30.360 -2.909) 35.177 18.973 ( -1.596 -2.764 7.499) 8.150 19.527 ( -6.336 -10.975 -3.626) 13.181 20.357 ( 3.582 6.203 1.514) 7.321 20.378 ( 5.830 10.098 -0.141) 11.661 21.914 ( -10.689 -18.513 20.580) 29.674 23.441 ( -17.402 -30.142 -12.146) 36.863======================= Grid point 1220 (154/240) =======================q-point: ( 0.26 0.21 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.142 ( 11.432 15.442 -12.138) 22.726 9.103 ( 0.656 8.803 -23.102) 24.731 10.021 ( -2.101 18.917 -10.442) 21.710 11.274 ( 9.793 38.317 -12.814) 41.572 14.235 ( 30.910 30.114 36.271) 56.373 15.691 ( 20.767 16.582 4.164) 26.899 18.929 ( -0.439 -2.840 3.060) 4.198 19.324 ( -3.888 -11.634 -3.469) 12.748 20.454 ( 0.271 7.629 2.804) 8.133 20.562 ( 2.993 10.714 -0.313) 11.129 21.567 ( -9.268 -16.165 14.764) 23.774 22.843 ( -18.800 -28.728 -10.850) 36.007======================= Grid point 1221 (155/240) =======================q-point: ( 0.32 0.21 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.474 ( 10.492 13.552 -22.585) 28.352 9.015 ( -5.575 -10.384 -46.488) 47.959 10.232 ( -9.225 37.713 14.584) 41.474 11.707 ( -3.867 39.959 -12.913) 42.171 14.996 ( 31.599 15.833 35.075) 49.794 16.092 ( 15.736 -0.563 12.270) 19.962 18.899 ( 0.392 -3.256 -0.553) 3.326 19.196 ( 2.210 -10.755 -4.715) 11.949 20.516 ( -1.103 6.829 3.226) 7.633 20.669 ( -2.696 9.835 0.359) 10.204 21.328 ( -3.158 -9.318 8.204) 12.811 22.271 ( -17.969 -22.650 -9.379) 30.395======================= Grid point 1222 (156/240) =======================q-point: ( 0.37 0.21 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.722 ( 3.243 10.136 -28.905) 30.802 8.828 ( -0.104 -13.186 -50.569) 52.260 10.383 ( -18.769 40.638 20.441) 49.210 11.922 ( -16.029 38.706 -12.996) 43.863 15.550 ( 20.873 0.681 33.004) 39.057 16.196 ( 6.513 -13.334 19.876) 24.804 18.881 ( 1.542 -3.682 -2.693) 4.815 19.175 ( 6.524 -10.764 -6.586) 14.206 20.560 ( -0.818 5.500 1.820) 5.850 20.667 ( -6.855 8.437 2.499) 11.155 21.281 ( 3.867 -4.532 2.642) 6.518 21.854 ( -9.956 -9.558 -7.484) 15.700======================= Grid point 1239 (157/240) =======================q-point: ( 0.26 0.26 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.450 ( 9.231 15.989 -23.397) 29.804 9.012 ( -7.117 -12.328 -48.092) 50.154 10.515 ( 14.826 25.680 15.151) 33.299 11.948 ( 17.178 29.753 -12.139) 36.437 14.791 ( 15.441 26.744 35.779) 47.263 15.939 ( 4.705 8.149 11.524) 14.878 18.884 ( -1.036 -1.794 -1.384) 2.491 19.121 ( -4.894 -8.476 -4.379) 10.723 20.559 ( 1.970 3.412 2.955) 4.925 20.747 ( 4.146 7.181 -1.048) 8.358 21.306 ( -5.644 -9.775 10.181) 15.201 22.313 ( -14.300 -24.768 -9.297) 30.073======================= Grid point 1240 (158/240) =======================q-point: ( 0.32 0.26 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1805Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.752 ( 7.685 14.905 -32.344) 36.433 8.740 ( -6.577 -16.113 -50.026) 52.966 10.914 ( -0.626 29.493 19.680) 35.461 12.403 ( 1.413 29.922 -12.386) 32.415 15.265 ( 17.245 12.170 34.141) 40.138 15.993 ( 2.404 -9.119 19.542) 21.699 18.853 ( -0.820 -1.411 -4.515) 4.801 19.011 ( 1.292 -7.867 -6.344) 10.188 20.607 ( 0.537 3.424 1.448) 3.756 20.813 ( -2.694 3.740 -1.240) 4.773 21.200 ( 0.459 -3.977 6.761) 7.857 21.913 ( -9.688 -13.314 -7.177) 17.962======================= Grid point 1241 (159/240) =======================q-point: ( 0.37 0.26 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.921 ( -5.695 9.865 -36.358) 38.100 8.572 ( 7.004 -12.131 -49.024) 50.986 11.054 ( -14.957 25.905 20.583) 36.311 12.563 ( -14.397 24.937 -12.603) 31.432 15.518 ( 1.494 -2.588 32.334) 32.472 15.922 ( 7.534 -13.049 24.095) 28.418 18.837 ( 0.407 -0.705 -5.640) 5.698 18.990 ( 4.462 -7.728 -7.448) 11.623 20.641 ( -1.910 3.307 -0.288) 3.830 20.784 ( -1.637 2.835 -0.415) 3.300 21.195 ( 1.964 -3.401 5.081) 6.422 21.761 ( 0.763 -1.322 -5.754) 5.953======================= Grid point 1260 (160/240) =======================q-point: ( 0.32 0.32 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 950Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.048 ( 8.395 14.541 -40.178) 43.546 8.423 ( -8.785 -15.216 -47.022) 50.198 11.319 ( 6.321 10.949 20.293) 23.909 12.820 ( 6.627 11.477 -12.654) 18.324 15.491 ( 6.364 11.023 31.617) 34.083 15.773 ( -6.867 -11.895 26.075) 29.471 18.844 ( 0.205 0.356 -6.861) 6.873 18.898 ( -2.015 -3.489 -7.435) 8.456 20.681 ( 2.493 4.318 -1.080) 5.102 20.798 ( -2.353 -4.075 -2.743) 5.447 21.164 ( -0.152 -0.264 7.421) 7.427 21.755 ( -2.039 -3.532 -5.188) 6.599======================= Grid point 1516 (161/240) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.327 ( 0.000 -0.000 44.836) 44.836 4.327 ( -0.000 0.000 44.836) 44.836 5.848 ( 0.000 0.000 -30.540) 30.540 5.848 ( 0.000 -0.000 -30.540) 30.540 8.434 ( -0.000 -0.000 97.054) 97.054 12.059 ( 0.000 0.000 -82.578) 82.578 19.717 ( 0.000 -0.000 2.123) 2.123 19.717 ( 0.000 0.000 2.123) 2.123 19.817 ( 0.000 0.000 -2.688) 2.688 19.817 ( 0.000 0.000 -2.688) 2.688 23.773 ( 0.000 0.000 35.247) 35.247 25.019 ( 0.000 -0.000 -26.057) 26.057======================= Grid point 1517 (162/240) =======================q-point: ( 0.05 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.497 ( 14.638 8.451 43.495) 46.664 4.746 ( 33.912 19.579 42.315) 57.653 5.982 ( 11.645 6.723 -29.926) 32.809 6.205 ( 30.119 17.389 -29.680) 45.721 8.471 ( 4.344 2.508 94.975) 95.107 12.032 ( -2.088 -1.206 -81.292) 81.327 19.717 ( 0.011 0.006 2.340) 2.340 19.748 ( 1.760 1.016 1.936) 2.807 19.813 ( 0.357 0.206 -0.777) 0.880 19.826 ( 0.729 0.421 -2.907) 3.027 23.760 ( -1.185 -0.684 35.171) 35.198 25.009 ( -1.031 -0.595 -26.541) 26.568======================= Grid point 1518 (163/240) =======================q-point: ( 0.11 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.953 ( 24.967 14.414 40.322) 49.568 5.636 ( 39.879 23.024 43.337) 63.234 6.351 ( 20.459 11.812 -28.382) 36.927 7.094 ( 45.790 26.437 -29.247) 60.424 8.721 ( 20.517 11.846 84.030) 87.306 11.995 ( -0.134 -0.077 -76.392) 76.392 19.720 ( 0.345 0.199 2.699) 2.728 19.733 ( -2.394 -1.382 6.198) 6.786 19.845 ( 0.856 0.494 -3.254) 3.401 19.879 ( 4.424 2.554 -1.678) 5.377 23.720 ( -2.424 -1.399 34.848) 34.960 24.965 ( -3.152 -1.820 -27.042) 27.286======================= Grid point 1519 (164/240) =======================q-point: ( 0.16 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.579 ( 29.607 17.094 36.815) 50.241 6.372 ( 24.170 13.955 53.214) 60.089 6.873 ( 25.183 14.539 -26.532) 39.364 8.129 ( 42.887 24.761 -33.995) 60.067 9.480 ( 46.554 26.878 61.831) 81.932 12.091 ( 10.535 6.082 -64.839) 65.970 19.665 ( -3.442 -1.987 11.347) 12.023 19.732 ( 0.683 0.394 2.851) 2.958 19.862 ( 0.621 0.358 -3.353) 3.429 19.969 ( 3.041 1.756 -4.516) 5.721 23.645 ( -4.455 -2.572 33.974) 34.361 24.854 ( -6.911 -3.990 -26.271) 27.456======================= Grid point 1520 (165/240) =======================q-point: ( 0.21 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.251 ( 29.413 16.982 33.897) 47.985 6.771 ( 13.027 7.521 56.282) 58.257 7.457 ( 25.956 14.986 -24.899) 38.965 8.897 ( 23.473 13.552 -45.939) 53.339 10.726 ( 61.453 35.480 44.625) 83.825 12.551 ( 31.219 18.024 -45.494) 58.045 19.584 ( -3.642 -2.103 14.349) 14.952 19.749 ( 0.764 0.441 2.798) 2.934 19.874 ( 0.445 0.257 -3.190) 3.231 20.005 ( 0.107 0.062 -6.899) 6.900 23.506 ( -8.208 -4.739 32.203) 33.569 24.641 ( -12.232 -7.062 -24.221) 28.039======================= Grid point 1521 (166/240) =======================q-point: ( 0.26 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.880 ( 25.912 14.960 31.814) 43.673 7.017 ( 9.551 5.514 48.896) 50.124 8.019 ( 23.530 13.585 -23.692) 36.049 9.189 ( 3.874 2.237 -54.842) 55.024 12.157 ( 64.115 37.017 36.170) 82.397 13.464 ( 47.766 27.578 -28.166) 61.931 19.507 ( -3.043 -1.757 15.100) 15.504 19.765 ( 0.608 0.351 2.764) 2.851 19.885 ( 0.554 0.320 -3.009) 3.076 19.977 ( -2.352 -1.358 -8.020) 8.467 23.261 ( -13.677 -7.896 29.455) 33.422 24.295 ( -18.573 -10.723 -21.670) 30.488======================= Grid point 1522 (167/240) =======================q-point: ( 0.32 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.218 ( 8.471 4.891 36.486) 37.774 7.406 ( 20.573 11.878 30.422) 38.599 8.501 ( 18.931 10.930 -22.844) 31.618 9.147 ( -6.214 -3.588 -55.307) 55.770 13.571 ( 60.566 34.968 31.889) 76.863 14.604 ( 51.426 29.691 -18.340) 62.149 19.456 ( -1.306 -0.754 14.254) 14.333 19.776 ( 0.456 0.264 2.917) 2.964 19.900 ( 0.796 0.459 -3.016) 3.153 19.913 ( -2.994 -1.729 -7.747) 8.483 22.886 ( -19.555 -11.290 25.798) 34.283 23.803 ( -25.036 -14.454 -19.214) 34.712======================= Grid point 1523 (168/240) =======================q-point: ( 0.37 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.403 ( 7.971 4.602 22.496) 24.306 7.802 ( 14.548 8.400 29.479) 33.930 8.865 ( 13.313 7.686 -22.192) 26.996 8.953 ( -10.231 -5.907 -50.967) 52.318 14.856 ( 52.756 30.459 28.977) 67.458 15.707 ( 44.887 25.916 -12.096) 53.224 19.461 ( 2.019 1.166 12.709) 12.921 19.786 ( 0.432 0.249 3.193) 3.231 19.864 ( -0.671 -0.387 -6.433) 6.480 19.919 ( 0.883 0.510 -3.190) 3.349 22.394 ( -23.478 -13.555 20.993) 34.288 23.176 ( -30.273 -17.478 -16.894) 38.824======================= Grid point 1524 (169/240) =======================q-point: ( 0.42 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.576 ( 7.200 4.157 9.294) 12.470 8.062 ( 8.549 4.936 28.831) 30.474 8.715 ( -10.232 -5.908 -44.762) 46.295 9.101 ( 7.670 4.429 -21.659) 23.400 15.910 ( 39.761 22.956 25.456) 52.497 16.553 ( 28.496 16.452 -5.456) 33.354 19.552 ( 5.807 3.353 11.879) 13.641 19.796 ( 0.376 0.217 3.435) 3.462 19.912 ( 5.445 3.144 -4.955) 8.005 19.938 ( 0.695 0.401 -3.388) 3.482 21.873 ( -21.231 -12.258 14.027) 28.244 22.466 ( -31.756 -18.334 -14.172) 39.312======================= Grid point 1525 (170/240) =======================q-point: ( 0.47 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.707 ( 3.659 2.113 0.161) 4.228 8.189 ( 2.807 1.621 28.477) 28.661 8.531 ( -4.985 -2.878 -39.444) 39.861 9.214 ( 2.473 1.428 -21.330) 21.520 16.584 ( 17.863 10.313 20.271) 28.920 16.944 ( 6.594 3.807 2.561) 8.033 19.681 ( 4.129 2.384 13.546) 14.361 19.802 ( 0.156 0.090 3.562) 3.567 19.949 ( 0.264 0.152 -3.508) 3.521 20.079 ( 6.648 3.838 -3.906) 8.614 21.550 ( -4.390 -2.534 3.437) 6.124 21.823 ( -22.170 -12.800 -9.614) 27.346======================= Grid point 1536 (171/240) =======================q-point: ( 0.05 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.831 ( 14.319 24.802 41.131) 50.119 5.371 ( 22.945 39.742 41.912) 62.149 6.253 ( 11.719 20.298 -28.627) 36.998 6.808 ( 24.213 41.938 -29.214) 56.555 8.615 ( 8.303 14.381 88.405) 89.951 11.999 ( -0.782 -1.354 -78.210) 78.225 19.707 ( -0.619 -1.072 4.391) 4.562 19.789 ( 1.067 1.848 0.491) 2.189 19.794 ( -0.298 -0.516 1.516) 1.629 19.869 ( 1.928 3.340 -3.334) 5.098 23.733 ( -1.209 -2.094 34.970) 35.053 24.981 ( -1.445 -2.502 -26.987) 27.141======================= Grid point 1537 (172/240) =======================q-point: ( 0.11 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.413 ( 20.395 31.605 37.678) 53.240 6.111 ( 24.373 22.857 48.712) 59.071 6.737 ( 17.191 26.997 -26.391) 41.483 7.728 ( 35.850 36.075 -31.527) 59.838 9.130 ( 28.277 31.177 70.589) 82.185 12.024 ( 4.012 4.207 -70.034) 70.275 19.668 ( -1.488 -3.422 9.219) 9.946 19.775 ( -2.002 3.267 2.365) 4.503 19.841 ( 2.597 0.003 -1.479) 2.989 19.940 ( 2.423 2.807 -4.489) 5.822 23.675 ( -2.723 -3.353 34.356) 34.627 24.900 ( -4.088 -5.076 -26.659) 27.444======================= Grid point 1538 (173/240) =======================q-point: ( 0.16 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.088 ( 20.303 33.878 34.844) 52.669 6.603 ( 16.422 9.908 54.846) 58.102 7.325 ( 17.924 31.025 -24.400) 43.349 8.594 ( 30.046 21.055 -40.364) 54.547 10.159 ( 48.681 41.863 50.683) 81.799 12.294 ( 18.712 15.584 -54.062) 59.294 19.595 ( -2.290 -4.495 13.004) 13.949 19.786 ( -1.327 4.310 2.532) 5.172 19.875 ( 0.696 1.035 -2.644) 2.923 19.992 ( 1.552 0.618 -6.132) 6.355 23.565 ( -5.297 -5.799 32.994) 33.916 24.732 ( -8.105 -8.850 -25.017) 27.746======================= Grid point 1539 (174/240) =======================q-point: ( 0.21 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.692 ( 15.951 20.855 38.055) 46.233 6.955 ( 13.247 17.951 45.458) 50.637 7.920 ( 15.466 31.648 -23.184) 42.170 9.086 ( 12.839 5.758 -51.273) 53.169 11.494 ( 58.371 42.142 39.292) 82.018 12.993 ( 38.381 26.853 -34.909) 58.419 19.509 ( -2.129 -5.101 14.284) 15.317 19.807 ( -1.463 4.249 2.208) 5.007 19.882 ( -0.653 0.351 -3.367) 3.448 20.009 ( -0.394 1.424 -6.410) 6.578 23.369 ( -9.457 -9.485 30.696) 33.491 24.445 ( -13.308 -13.259 -22.591) 29.381======================= Grid point 1540 (175/240) =======================q-point: ( 0.26 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.010 ( 12.383 1.777 39.511) 41.444 7.435 ( 10.318 33.050 31.491) 46.802 8.441 ( 10.943 27.972 -23.384) 38.066 9.198 ( -0.715 0.271 -53.808) 53.813 12.896 ( 60.041 37.951 33.658) 78.600 14.035 ( 49.236 30.130 -22.078) 61.801 19.430 ( -0.794 -5.676 13.632) 14.788 19.797 ( -1.105 -2.936 -2.120) 3.786 19.878 ( -1.817 4.508 -0.417) 4.878 20.019 ( -2.229 5.565 -4.893) 7.738 23.053 ( -14.735 -13.571 27.504) 34.026 24.020 ( -19.222 -17.532 -20.100) 32.876======================= Grid point 1541 (176/240) =======================q-point: ( 0.32 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.210 ( 11.783 -1.528 28.371) 30.759 7.882 ( 4.727 31.475 27.187) 41.859 8.783 ( 3.746 11.001 -31.214) 33.307 9.164 ( -6.476 12.763 -41.898) 44.275 14.230 ( 56.436 32.025 30.430) 71.671 15.162 ( 49.103 26.950 -14.770) 57.927 19.381 ( 2.134 -6.245 11.856) 13.569 19.733 ( 0.931 -8.221 -4.638) 9.485 19.904 ( -3.189 8.847 2.205) 9.659 20.044 ( -3.135 8.924 -3.635) 10.133 22.612 ( -19.570 -16.631 23.368) 34.722 23.457 ( -24.969 -20.823 -17.819) 37.075======================= Grid point 1542 (177/240) =======================q-point: ( 0.37 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.385 ( 11.508 -3.055 15.842) 19.817 8.201 ( -0.349 26.218 21.782) 34.088 8.747 ( -6.546 -5.291 -39.161) 40.056 9.294 ( -5.753 28.347 -24.496) 37.904 15.396 ( 47.795 24.509 27.536) 60.359 16.150 ( 39.012 19.053 -8.792) 44.298 19.388 ( 6.590 -7.224 9.879) 13.900 19.695 ( 5.428 -9.185 -4.677) 11.649 19.940 ( -4.152 11.460 3.623) 12.717 20.090 ( -3.031 11.345 -2.940) 12.106 22.094 ( -21.135 -16.738 17.700) 32.251 22.786 ( -28.901 -22.019 -15.473) 39.491======================= Grid point 1543 (178/240) =======================q-point: ( 0.42 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.532 ( 10.071 -5.014 5.579) 12.557 8.377 ( -1.466 12.340 1.217) 12.486 8.581 ( -11.270 6.161 -16.719) 21.083 9.440 ( -9.535 26.911 -21.651) 35.832 16.276 ( 32.081 14.143 23.216) 42.050 16.780 ( 19.069 6.705 -1.154) 20.247 19.449 ( 9.548 -9.848 8.982) 16.395 19.745 ( 10.132 -9.183 -5.019) 14.566 19.989 ( -4.821 13.845 5.578) 15.686 20.171 ( -1.293 12.630 -2.228) 12.890 21.643 ( -13.321 -10.470 9.029) 19.199 22.095 ( -27.046 -18.803 -12.155) 35.111======================= Grid point 1544 (179/240) =======================q-point: ( 0.47 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.600 ( 4.958 -8.587 1.408) 10.015 8.403 ( 4.624 -8.009 -38.329) 39.428 8.528 ( -16.166 28.000 24.544) 40.592 9.490 ( -14.031 24.303 -21.156) 35.143 16.655 ( 2.030 -3.516 19.193) 19.618 16.944 ( 1.920 -3.325 4.672) 6.047 19.487 ( 7.516 -13.019 9.190) 17.619 19.797 ( 6.598 -11.428 -5.467) 14.283 20.025 ( -7.769 13.456 7.345) 17.186 20.243 ( -4.788 8.293 -1.324) 9.667 21.531 ( 0.980 -1.698 -0.066) 1.962 21.664 ( 0.314 -0.545 -7.584) 7.610======================= Grid point 1557 (180/240) =======================q-point: ( 0.11 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.122 ( 22.582 39.114 34.158) 56.627 6.480 ( 8.758 15.170 54.061) 56.828 7.353 ( 19.955 34.562 -23.812) 46.473 8.412 ( 18.437 31.933 -38.413) 53.246 9.945 ( 29.648 51.352 53.788) 80.057 12.214 ( 9.661 16.734 -57.263) 60.435 19.591 ( -2.537 -4.394 12.666) 13.644 19.844 ( 1.783 3.088 0.944) 3.689 19.854 ( 0.934 1.618 -0.707) 1.998 19.980 ( 0.770 1.333 -6.392) 6.574 23.581 ( -3.780 -6.547 33.221) 34.071 24.755 ( -5.792 -10.033 -25.199) 27.734======================= Grid point 1558 (181/240) =======================q-point: ( 0.16 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.693 ( 5.768 12.980 49.121) 51.133 6.917 ( 22.116 35.915 33.786) 54.042 8.034 ( 16.174 40.012 -22.001) 48.442 8.910 ( 14.779 11.152 -47.948) 51.398 11.074 ( 43.062 50.913 41.956) 78.783 12.723 ( 24.810 28.582 -39.909) 55.002 19.498 ( -2.752 -5.393 13.896) 15.158 19.854 ( -1.615 -0.594 -2.496) 3.032 19.913 ( 0.860 4.952 0.030) 5.026 20.014 ( 1.775 2.578 -5.089) 5.975 23.408 ( -7.050 -10.514 31.262) 33.728 24.501 ( -10.037 -14.916 -22.899) 29.113======================= Grid point 1559 (182/240) =======================q-point: ( 0.21 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.877 ( 7.272 4.434 42.988) 43.824 7.607 ( 13.621 40.493 27.232) 50.664 8.630 ( 7.069 38.422 -23.450) 45.565 9.156 ( 8.237 3.920 -49.375) 50.211 12.342 ( 50.791 44.279 35.435) 76.131 13.579 ( 39.229 32.739 -25.643) 57.169 19.397 ( -2.346 -6.342 13.151) 14.788 19.779 ( -2.822 -6.144 -5.556) 8.751 19.981 ( -0.794 8.840 1.348) 8.977 20.085 ( 1.221 6.044 -3.358) 7.021 23.129 ( -11.269 -15.126 28.492) 34.170 24.122 ( -14.829 -19.735 -20.434) 32.046======================= Grid point 1560 (183/240) =======================q-point: ( 0.26 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.037 ( 8.407 1.358 31.707) 32.831 8.137 ( 5.225 34.053 16.983) 38.410 8.925 ( -3.441 15.853 -33.145) 36.902 9.400 ( 3.182 28.463 -30.645) 41.945 13.619 ( 53.132 35.872 31.815) 71.568 14.619 ( 45.930 29.336 -17.009) 57.091 19.302 ( -0.784 -7.254 11.161) 13.334 19.657 ( -2.177 -9.295 -6.141) 11.351 20.056 ( -2.147 11.470 2.359) 11.905 20.165 ( -0.498 8.960 -2.604) 9.344 22.734 ( -15.631 -18.880 24.927) 34.959 23.617 ( -19.822 -23.438 -18.220) 35.696======================= Grid point 1561 (184/240) =======================q-point: ( 0.32 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.190 ( 9.169 -0.518 19.251) 21.329 8.404 ( -0.495 10.564 -12.358) 16.265 8.980 ( -9.548 24.656 -9.210) 27.998 9.730 ( -5.039 39.034 -22.388) 45.279 14.807 ( 50.169 26.911 29.230) 63.997 15.639 ( 43.455 21.613 -11.094) 49.785 19.237 ( 2.225 -8.144 8.791) 12.188 19.543 ( 0.927 -10.735 -5.789) 12.232 20.130 ( -3.374 13.290 3.305) 14.104 20.243 ( -1.827 11.121 -2.008) 11.448 22.250 ( -18.408 -19.949 20.230) 33.853 23.005 ( -24.146 -24.938 -16.154) 38.287======================= Grid point 1562 (185/240) =======================q-point: ( 0.37 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.334 ( 9.074 -1.937 7.762) 12.097 8.369 ( -2.055 -8.292 -35.635) 36.644 9.097 ( -15.251 39.161 16.640) 45.200 9.967 ( -12.415 39.574 -20.440) 46.238 15.802 ( 40.821 16.821 26.065) 51.271 16.438 ( 30.446 10.170 -4.573) 32.424 19.221 ( 5.854 -9.507 7.080) 13.220 19.499 ( 6.629 -10.798 -5.777) 13.925 20.203 ( -3.963 14.360 4.432) 15.542 20.322 ( -2.174 11.863 -1.209) 12.121 21.767 ( -16.000 -15.926 13.399) 26.252 22.342 ( -25.564 -22.657 -13.630) 36.778======================= Grid point 1563 (186/240) =======================q-point: ( 0.42 0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.441 ( 6.228 -4.121 0.209) 7.471 8.257 ( 1.488 -10.273 -38.693) 40.061 9.188 ( -20.489 40.475 22.842) 50.792 10.083 ( -18.457 37.839 -19.813) 46.530 16.449 ( 21.265 3.261 21.369) 30.323 16.815 ( 10.225 -2.906 3.423) 11.168 19.235 ( 7.464 -11.503 6.819) 15.315 19.539 ( 9.553 -11.982 -6.668) 16.712 20.272 ( -5.125 14.261 5.794) 16.224 20.389 ( -2.900 9.191 0.435) 9.647 21.491 ( -2.032 -4.918 3.572) 6.409 21.772 ( -17.376 -13.013 -9.575) 23.726======================= Grid point 1577 (187/240) =======================q-point: ( 0.16 0.16 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.839 ( 3.421 5.926 44.489) 45.012 7.700 ( 22.337 38.689 24.517) 50.960 8.827 ( 22.766 39.432 -19.821) 49.659 9.049 ( 2.691 4.661 -50.363) 50.650 12.116 ( 31.918 55.283 36.266) 73.418 13.399 ( 23.118 40.041 -27.315) 53.702 19.386 ( -3.506 -6.072 13.070) 14.832 19.774 ( -3.741 -6.479 -6.072) 9.635 20.040 ( 4.056 7.025 0.642) 8.137 20.100 ( 3.334 5.774 -2.387) 7.082 23.149 ( -9.298 -16.104 28.811) 34.291 24.149 ( -12.189 -21.113 -20.480) 31.839======================= Grid point 1578 (188/240) =======================q-point: ( 0.21 0.16 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.952 ( 4.600 3.638 33.636) 34.143 8.312 ( 9.312 25.463 2.819) 27.258 9.130 ( 0.571 15.765 -29.968) 33.867 9.570 ( 16.908 39.026 -20.180) 47.076 13.210 ( 39.301 44.492 32.756) 67.802 14.253 ( 32.897 35.907 -18.554) 52.113 19.265 ( -3.032 -7.029 10.892) 13.312 19.622 ( -4.475 -9.449 -6.628) 12.379 20.175 ( 1.572 10.521 0.945) 10.680 20.225 ( 3.275 7.833 -1.272) 8.585 22.782 ( -12.941 -20.256 25.712) 35.198 23.681 ( -16.209 -25.124 -18.283) 35.046======================= Grid point 1579 (189/240) =======================q-point: ( 0.26 0.16 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.068 ( 5.977 1.905 21.376) 22.278 8.464 ( -2.276 -1.054 -33.049) 33.144 9.414 ( -0.931 38.152 6.704) 38.747 10.154 ( 4.597 42.928 -19.016) 47.175 14.290 ( 43.069 32.772 30.397) 62.072 15.168 ( 37.788 26.744 -12.506) 47.954 19.153 ( -1.399 -7.786 8.098) 11.320 19.454 ( -2.992 -11.236 -6.216) 13.184 20.294 ( -0.675 12.284 1.881) 12.446 20.354 ( 1.440 10.037 -0.984) 10.188 22.330 ( -15.517 -21.992 21.785) 34.627 23.120 ( -19.722 -26.957 -16.382) 37.202======================= Grid point 1580 (190/240) =======================q-point: ( 0.32 0.16 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.191 ( 7.015 0.735 9.181) 11.577 8.332 ( -4.520 -10.438 -41.473) 43.005 9.743 ( -9.729 45.348 18.793) 50.043 10.560 ( -6.878 44.326 -18.530) 48.533 15.275 ( 41.301 20.878 28.044) 54.112 15.995 ( 34.204 14.570 -6.851) 37.804 19.072 ( 1.305 -8.520 5.586) 10.272 19.322 ( 1.210 -11.796 -5.781) 13.192 20.390 ( -2.223 12.437 2.935) 12.971 20.463 ( -0.870 11.094 -0.700) 11.151 21.859 ( -15.070 -19.230 16.371) 29.409 22.508 ( -21.729 -25.203 -14.335) 36.233======================= Grid point 1581 (191/240) =======================q-point: ( 0.37 0.16 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.311 ( 6.417 -0.377 -0.918) 6.493 8.156 ( -2.228 -11.941 -40.087) 41.887 9.952 ( -18.198 45.767 21.939) 53.917 10.792 ( -16.298 43.680 -18.289) 50.080 16.046 ( 31.341 8.019 24.425) 40.536 16.540 ( 20.050 0.243 0.586) 20.060 19.031 ( 4.130 -9.572 4.281) 11.270 19.276 ( 6.830 -11.936 -6.407) 15.171 20.465 ( -2.544 11.344 3.609) 12.173 20.531 ( -3.328 9.380 0.576) 9.970 21.505 ( -7.768 -10.339 8.535) 15.495 21.938 ( -19.053 -17.709 -11.323) 28.370======================= Grid point 1582 (192/240) =======================q-point: ( 0.42 0.16 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.371 ( 1.766 -3.059 -5.242) 6.321 8.069 ( 5.037 -8.723 -38.438) 39.736 10.022 ( -25.043 43.376 22.648) 54.969 10.867 ( -23.670 40.998 -18.211) 50.722 16.388 ( 5.559 -9.629 21.069) 23.823 16.686 ( 5.614 -9.724 6.183) 12.818 19.020 ( 5.768 -9.990 4.057) 12.229 19.285 ( 7.736 -13.399 -7.176) 17.055 20.523 ( -6.243 10.814 3.550) 12.981 20.526 ( -3.126 5.414 2.316) 6.667 21.416 ( 2.101 -3.639 2.113) 4.704 21.638 ( 0.277 -0.480 -8.248) 8.266======================= Grid point 1598 (193/240) =======================q-point: ( 0.21 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.027 ( 2.370 4.105 22.161) 22.663 8.477 ( -2.280 -3.949 -37.594) 37.870 9.629 ( 18.257 31.622 9.011) 37.610 10.337 ( 21.393 37.054 -17.293) 46.149 14.072 ( 25.144 43.551 30.811) 58.976 14.965 ( 21.116 36.573 -13.015) 44.191 19.128 ( -3.951 -6.843 7.831) 11.125 19.425 ( -6.042 -10.465 -6.324) 13.638 20.377 ( 4.426 7.666 0.519) 8.867 20.378 ( 5.622 9.738 0.107) 11.245 22.353 ( -13.414 -23.233 22.329) 34.904 23.154 ( -16.469 -28.525 -16.411) 36.800======================= Grid point 1599 (194/240) =======================q-point: ( 0.26 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.115 ( 4.058 3.024 10.067) 11.267 8.316 ( -5.959 -11.113 -43.873) 45.649 10.207 ( 7.047 39.621 18.441) 44.267 10.974 ( 9.044 39.642 -16.942) 44.048 14.897 ( 29.773 29.289 29.002) 50.846 15.653 ( 24.962 22.570 -7.883) 34.564 19.005 ( -2.275 -7.163 4.627) 8.826 19.230 ( -3.810 -11.331 -5.585) 13.194 20.503 ( 1.298 8.420 2.018) 8.755 20.553 ( 2.951 10.149 -0.613) 10.587 21.902 ( -13.321 -21.042 17.971) 30.711 22.587 ( -17.857 -27.049 -14.584) 35.542======================= Grid point 1600 (195/240) =======================q-point: ( 0.32 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.222 ( 5.193 2.519 -1.326) 5.922 8.098 ( -5.186 -12.868 -41.379) 43.643 10.613 ( -6.373 42.082 20.949) 47.438 11.405 ( -4.621 41.009 -17.028) 44.644 15.620 ( 29.344 14.599 26.382) 42.074 16.199 ( 21.401 6.230 -1.565) 22.344 18.915 ( -0.065 -7.326 2.228) 7.657 19.094 ( 1.084 -11.223 -5.426) 12.513 20.579 ( -0.907 6.374 2.979) 7.093 20.664 ( -1.021 8.792 -0.915) 8.898 21.534 ( -9.025 -13.224 12.090) 20.062 22.054 ( -16.501 -20.355 -12.102) 28.863======================= Grid point 1601 (196/240) =======================q-point: ( 0.37 0.21 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.321 ( 3.181 1.470 -9.436) 10.065 7.925 ( 0.183 -11.346 -37.578) 39.254 10.813 ( -17.733 40.872 21.839) 49.618 11.619 ( -16.560 39.516 -17.140) 46.147 16.115 ( 18.390 -0.619 22.450) 29.028 16.456 ( 10.281 -8.162 5.855) 14.373 18.864 ( 2.524 -7.143 1.235) 7.676 19.046 ( 5.581 -11.134 -6.282) 13.949 20.604 ( -1.443 3.505 2.634) 4.616 20.692 ( -3.630 6.177 -0.259) 7.170 21.366 ( -1.172 -4.307 5.926) 7.419 21.689 ( -8.661 -7.251 -8.783) 14.308======================= Grid point 1618 (197/240) =======================q-point: ( 0.26 0.26 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.190 ( 2.691 4.662 -1.394) 5.561 8.079 ( -7.267 -12.587 -41.891) 44.340 10.890 ( 16.967 29.388 20.388) 39.588 11.660 ( 17.210 29.809 -16.440) 38.145 15.428 ( 14.381 24.909 26.977) 39.434 16.032 ( 9.038 15.654 -2.255) 18.216 18.882 ( -3.106 -5.380 1.324) 6.352 19.028 ( -5.151 -8.922 -4.832) 11.379 20.619 ( 1.945 3.369 2.963) 4.890 20.718 ( 3.455 5.985 -1.798) 7.141 21.546 ( -8.311 -14.396 13.412) 21.359 22.095 ( -12.961 -22.449 -12.311) 28.697======================= Grid point 1619 (198/240) =======================q-point: ( 0.32 0.26 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1806Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.294 ( 3.699 4.963 -11.714) 13.249 7.847 ( -4.829 -12.474 -37.019) 39.362 11.330 ( 0.308 30.074 21.171) 36.780 12.111 ( 1.064 29.963 -16.570) 34.256 15.851 ( 15.007 9.397 23.515) 29.436 16.240 ( 7.133 -1.765 4.872) 8.817 18.797 ( -1.124 -4.464 -0.810) 4.674 18.899 ( 0.087 -8.312 -4.826) 9.612 20.644 ( -0.607 1.091 2.422) 2.725 20.770 ( -1.379 1.367 -2.913) 3.501 21.362 ( -2.888 -4.634 9.117) 10.627 21.749 ( -8.059 -10.445 -9.119) 16.038======================= Grid point 1620 (199/240) =======================q-point: ( 0.37 0.26 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.368 ( -1.825 3.162 -17.021) 17.408 7.726 ( 5.005 -8.669 -33.574) 35.034 11.480 ( -14.746 25.541 21.456) 36.472 12.268 ( -14.462 25.049 -16.705) 33.401 16.054 ( 2.432 -4.212 20.263) 20.839 16.267 ( 5.552 -9.616 9.904) 14.879 18.764 ( 1.668 -2.890 -1.368) 3.607 18.862 ( 4.181 -7.242 -5.233) 9.864 20.645 ( -0.806 1.397 0.997) 1.896 20.747 ( 0.039 -0.068 -2.915) 2.916 21.323 ( 0.279 -0.483 7.329) 7.350 21.630 ( 0.120 -0.208 -7.196) 7.200======================= Grid point 1639 (200/240) =======================q-point: ( 0.32 0.32 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 960Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.415 ( 4.028 6.976 -21.121) 22.605 7.624 ( -5.609 -9.715 -30.701) 32.686 11.741 ( 6.398 11.082 21.295) 24.844 12.524 ( 6.509 11.273 -16.655) 21.138 16.005 ( 3.833 6.638 18.954) 20.445 16.157 ( -3.290 -5.699 11.718) 13.440 18.745 ( -0.537 -0.930 -2.806) 3.004 18.781 ( -2.021 -3.501 -4.161) 5.801 20.663 ( 0.909 1.574 -0.309) 1.843 20.734 ( -1.995 -3.456 -3.317) 5.189 21.323 ( -0.203 -0.351 8.188) 8.198 21.634 ( -1.299 -2.249 -6.779) 7.260======================= Grid point 1895 (201/240) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.160 ( 0.000 0.000 -38.015) 38.015 5.160 ( 0.000 0.000 -38.015) 38.015 5.160 ( 0.000 -0.000 38.015) 38.015 5.160 ( 0.000 0.000 38.015) 38.015 10.319 ( -0.000 -0.000 -90.546) 90.546 10.319 ( 0.000 0.000 90.546) 90.546 19.764 ( -0.000 0.000 -2.543) 2.543 19.764 ( 0.000 0.000 -2.543) 2.543 19.764 ( -0.000 -0.000 2.543) 2.543 19.764 ( 0.000 0.000 2.543) 2.543 24.443 ( 0.000 0.000 -31.246) 31.246 24.443 ( 0.000 0.000 31.246) 31.246======================= Grid point 1897 (202/240) =======================q-point: ( 0.05 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.308 ( 12.857 7.423 -37.176) 40.030 5.308 ( 12.857 7.423 37.176) 40.030 5.539 ( 31.600 18.244 -36.529) 51.631 5.539 ( 31.600 18.244 36.529) 51.631 10.320 ( 0.653 0.377 -88.990) 88.994 10.320 ( 0.653 0.377 88.990) 88.994 19.769 ( 0.370 0.214 -2.795) 2.827 19.769 ( 0.370 0.214 2.795) 2.827 19.786 ( 1.715 0.990 -1.739) 2.635 19.786 ( 1.715 0.990 1.739) 2.635 24.428 ( -1.299 -0.750 -31.258) 31.294 24.428 ( -1.299 -0.750 31.258) 31.294======================= Grid point 1899 (203/240) =======================q-point: ( 0.11 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.713 ( 22.333 12.894 -35.069) 43.530 5.713 ( 22.333 12.894 35.069) 43.530 6.435 ( 43.964 25.383 -36.334) 62.429 6.435 ( 43.964 25.383 36.334) 62.429 10.399 ( 7.992 4.614 -82.197) 82.714 10.399 ( 7.992 4.614 82.197) 82.714 19.780 ( 0.607 0.350 -3.191) 3.267 19.780 ( 0.607 0.350 3.191) 3.267 19.828 ( 1.718 0.992 -3.493) 4.017 19.828 ( 1.718 0.992 3.493) 4.017 24.382 ( -2.901 -1.675 -31.054) 31.234 24.382 ( -2.901 -1.675 31.054) 31.234======================= Grid point 1901 (204/240) =======================q-point: ( 0.16 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.279 ( 27.066 15.627 -32.554) 45.128 6.279 ( 27.066 15.627 32.554) 45.128 7.348 ( 33.796 19.512 -43.818) 58.676 7.348 ( 33.796 19.512 43.818) 58.676 10.771 ( 26.949 15.559 -65.925) 72.900 10.771 ( 26.949 15.559 65.925) 72.900 19.795 ( 0.670 0.387 -3.316) 3.405 19.795 ( 0.670 0.387 3.316) 3.405 19.851 ( 0.139 0.080 -7.370) 7.371 19.851 ( 0.139 0.080 7.370) 7.371 24.289 ( -5.636 -3.254 -30.145) 30.840 24.289 ( -5.636 -3.254 30.145) 30.840======================= Grid point 1903 (205/240) =======================q-point: ( 0.21 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.900 ( 27.446 15.846 -30.340) 43.874 6.900 ( 27.446 15.846 30.340) 43.874 7.888 ( 14.684 8.478 -53.904) 56.508 7.888 ( 14.684 8.478 53.904) 56.508 11.634 ( 48.311 27.892 -45.649) 72.081 11.634 ( 48.311 27.892 45.649) 72.081 19.809 ( 0.635 0.367 -3.171) 3.255 19.809 ( 0.635 0.367 3.171) 3.255 19.832 ( -1.754 -1.013 -10.405) 10.600 19.832 ( -1.754 -1.013 10.405) 10.600 24.114 ( -10.180 -5.878 -28.325) 30.667 24.114 ( -10.180 -5.878 28.325) 30.667======================= Grid point 1905 (206/240) =======================q-point: ( 0.26 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.491 ( 24.565 14.183 -28.718) 40.365 7.491 ( 24.565 14.183 28.718) 40.365 8.075 ( 3.355 1.937 -55.217) 55.353 8.075 ( 3.355 1.937 55.217) 55.353 12.852 ( 57.593 33.252 -32.767) 74.137 12.852 ( 57.593 33.252 32.767) 74.137 19.778 ( -2.823 -1.630 -11.783) 12.225 19.778 ( -2.823 -1.630 11.783) 12.226 19.823 ( 0.616 0.356 -3.039) 3.121 19.823 ( 0.616 0.356 3.039) 3.121 23.818 ( -16.261 -9.388 -25.846) 31.946 23.818 ( -16.261 -9.388 25.846) 31.946======================= Grid point 1907 (207/240) =======================q-point: ( 0.32 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.992 ( 19.661 11.351 -27.612) 35.747 7.992 ( 19.661 11.351 27.612) 35.747 8.089 ( -1.397 -0.807 -49.143) 49.169 8.089 ( -1.397 -0.807 49.143) 49.169 14.156 ( 56.880 32.840 -26.052) 70.658 14.156 ( 56.880 32.840 26.052) 70.658 19.717 ( -2.258 -1.304 -11.574) 11.864 19.717 ( -2.258 -1.304 11.574) 11.864 19.838 ( 0.656 0.379 -3.130) 3.220 19.838 ( 0.656 0.379 3.130) 3.220 23.379 ( -22.688 -13.099 -23.014) 34.871 23.379 ( -22.688 -13.099 23.014) 34.871======================= Grid point 1909 (208/240) =======================q-point: ( 0.37 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.034 ( -3.083 -1.780 -39.597) 39.757 8.034 ( -3.083 -1.780 39.597) 39.757 8.371 ( 13.888 8.018 -26.815) 31.244 8.371 ( 13.888 8.018 26.815) 31.244 15.367 ( 49.482 28.568 -21.535) 61.060 15.367 ( 49.482 28.568 21.535) 61.060 19.694 ( 0.694 0.401 -10.311) 10.342 19.694 ( 0.694 0.401 10.311) 10.342 19.853 ( 0.674 0.389 -3.373) 3.462 19.853 ( 0.674 0.389 3.373) 3.462 22.807 ( -27.601 -15.935 -19.723) 37.480 22.807 ( -27.601 -15.935 19.723) 37.480======================= Grid point 1911 (209/240) =======================q-point: ( 0.42 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.964 ( -2.831 -1.635 -29.088) 29.272 7.964 ( -2.831 -1.635 29.088) 29.272 8.618 ( 8.098 4.675 -26.212) 27.829 8.618 ( 8.098 4.675 26.212) 27.829 16.332 ( 34.866 20.130 -16.264) 43.421 16.332 ( 34.866 20.130 16.264) 43.421 19.767 ( 5.982 3.454 -9.271) 11.562 19.767 ( 5.982 3.454 9.271) 11.562 19.867 ( 0.540 0.312 -3.598) 3.652 19.867 ( 0.540 0.312 3.598) 3.652 22.169 ( -27.727 -16.008 -15.115) 35.405 22.169 ( -27.727 -16.008 15.115) 35.405======================= Grid point 1913 (210/240) =======================q-point: ( 0.47 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.917 ( -1.136 -0.656 -20.904) 20.945 7.917 ( -1.136 -0.656 20.904) 20.945 8.739 ( 2.639 1.524 -25.857) 26.036 8.739 ( 2.639 1.524 25.857) 26.036 16.879 ( 12.630 7.292 -9.012) 17.144 16.879 ( 12.630 7.292 9.012) 17.144 19.876 ( 0.210 0.121 -3.717) 3.725 19.876 ( 0.210 0.121 3.717) 3.725 19.931 ( 6.227 3.595 -10.608) 12.815 19.931 ( 6.227 3.595 10.608) 12.815 21.654 ( -14.585 -8.421 -6.953) 18.220 21.654 ( -14.585 -8.421 6.953) 18.220======================= Grid point 1935 (211/240) =======================q-point: ( 0.05 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.603 ( 12.727 22.043 -35.429) 43.624 5.603 ( 12.727 22.043 35.429) 43.624 6.155 ( 23.983 41.540 -35.658) 59.768 6.155 ( 23.983 41.540 35.658) 59.768 10.359 ( 2.828 4.898 -84.818) 85.007 10.359 ( 2.828 4.898 84.818) 85.007 19.779 ( 0.495 0.857 -2.451) 2.643 19.779 ( 0.495 0.857 2.451) 2.643 19.815 ( 0.975 1.689 -1.247) 2.315 19.815 ( 0.975 1.689 1.247) 2.315 24.398 ( -1.413 -2.448 -31.153) 31.281 24.398 ( -1.413 -2.448 31.153) 31.281======================= Grid point 1937 (212/240) =======================q-point: ( 0.11 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.126 ( 18.608 28.572 -32.942) 47.411 6.126 ( 18.608 28.572 32.942) 47.411 7.012 ( 31.078 30.839 -39.784) 59.158 7.012 ( 31.078 30.839 39.784) 59.158 10.582 ( 14.182 15.616 -73.025) 76.011 10.582 ( 14.182 15.616 73.025) 76.011 19.798 ( 0.200 1.317 -3.349) 3.604 19.798 ( 0.200 1.317 3.349) 3.604 19.842 ( 0.940 0.401 -4.829) 4.936 19.842 ( 0.940 0.401 4.829) 4.936 24.327 ( -3.404 -4.188 -30.542) 31.015 24.327 ( -3.404 -4.188 30.542) 31.015======================= Grid point 1939 (213/240) =======================q-point: ( 0.16 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.748 ( 19.174 31.458 -30.392) 47.760 6.748 ( 19.174 31.458 30.392) 47.760 7.686 ( 21.045 14.241 -49.514) 55.654 7.686 ( 21.045 14.241 49.514) 55.654 11.209 ( 34.380 29.461 -53.596) 70.160 11.209 ( 34.380 29.461 53.596) 70.160 19.797 ( -0.701 -1.329 -6.028) 6.212 19.797 ( -0.701 -1.328 6.028) 6.212 19.861 ( 0.162 2.087 -5.425) 5.815 19.861 ( 0.162 2.087 5.425) 5.815 24.190 ( -6.658 -7.221 -29.081) 30.695 24.190 ( -6.658 -7.221 29.081) 30.695======================= Grid point 1941 (214/240) =======================q-point: ( 0.21 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.350 ( 16.559 27.890 -27.722) 42.668 7.350 ( 16.559 27.890 27.722) 42.668 8.024 ( 8.767 7.241 -52.326) 53.548 8.024 ( 8.767 7.241 52.326) 53.548 12.266 ( 50.216 35.975 -37.455) 72.241 12.266 ( 50.216 35.975 37.455) 72.241 19.748 ( -1.280 -4.983 -8.860) 10.246 19.748 ( -1.280 -4.983 8.860) 10.246 19.890 ( -1.033 5.253 -4.430) 6.949 19.890 ( -1.033 5.253 4.430) 6.949 23.949 ( -11.455 -11.338 -26.862) 31.326 23.949 ( -11.455 -11.338 26.862) 31.326======================= Grid point 1943 (215/240) =======================q-point: ( 0.26 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.787 ( 11.421 8.677 -28.371) 31.791 7.787 ( 11.421 8.677 28.371) 31.791 8.225 ( 2.403 20.576 -35.397) 41.013 8.225 ( 2.403 20.576 35.397) 41.013 13.524 ( 55.702 34.902 -28.614) 71.691 13.524 ( 55.702 34.902 28.614) 71.691 19.667 ( -0.742 -7.337 -9.647) 12.143 19.667 ( -0.742 -7.337 9.647) 12.143 19.926 ( -2.231 7.789 -3.978) 9.026 19.926 ( -2.231 7.789 3.978) 9.026 23.574 ( -17.268 -15.668 -24.221) 33.620 23.574 ( -17.268 -15.668 24.221) 33.620======================= Grid point 1945 (216/240) =======================q-point: ( 0.32 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.906 ( 5.050 -7.724 -37.308) 38.433 7.906 ( 5.050 -7.724 37.308) 38.433 8.526 ( -0.147 32.763 -24.444) 40.877 8.526 ( -0.147 32.763 24.444) 40.877 14.775 ( 53.391 30.065 -23.546) 65.642 14.775 ( 53.391 30.065 23.546) 65.642 19.593 ( 1.659 -8.729 -9.009) 12.653 19.593 ( 1.659 -8.729 9.009) 12.653 19.967 ( -3.193 10.095 -3.784) 11.244 19.967 ( -3.193 10.095 3.784) 11.244 23.063 ( -22.834 -19.033 -21.268) 36.551 23.063 ( -22.834 -19.033 21.268) 36.551======================= Grid point 1947 (217/240) =======================q-point: ( 0.37 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.878 ( 2.778 -9.905 -32.279) 33.879 7.878 ( 2.778 -9.905 32.279) 33.879 8.804 ( -4.748 31.570 -24.545) 40.270 8.804 ( -4.748 31.570 24.545) 40.270 15.868 ( 44.004 22.369 -19.086) 52.925 15.868 ( 44.004 22.369 19.086) 52.925 19.568 ( 6.254 -9.465 -7.825) 13.782 19.568 ( 6.254 -9.465 7.825) 13.782 20.019 ( -3.536 12.433 -3.953) 13.517 20.019 ( -3.536 12.433 3.953) 13.517 22.452 ( -25.975 -19.938 -17.551) 37.152 22.452 ( -25.975 -19.938 17.551) 37.152======================= Grid point 1949 (218/240) =======================q-point: ( 0.42 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.829 ( 3.088 -9.428 -24.236) 26.188 7.829 ( 3.088 -9.428 24.236) 26.188 8.974 ( -9.839 28.628 -24.535) 38.966 8.974 ( -9.839 28.628 24.535) 38.966 16.639 ( 26.146 11.070 -12.741) 31.120 16.639 ( 26.146 11.070 12.741) 31.120 19.617 ( 10.342 -10.700 -7.554) 16.688 19.617 ( 10.342 -10.700 7.554) 16.688 20.097 ( -2.671 14.426 -4.878) 15.461 20.097 ( -2.671 14.426 4.878) 15.461 21.853 ( -21.674 -15.515 -11.616) 29.075 21.853 ( -21.674 -15.515 11.616) 29.075======================= Grid point 1951 (219/240) =======================q-point: ( 0.47 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.808 ( 4.791 -8.299 -20.153) 22.316 7.808 ( 4.791 -8.299 20.153) 22.316 9.031 ( -14.830 25.687 -24.485) 38.461 9.031 ( -14.830 25.687 24.485) 38.461 16.920 ( 1.804 -3.124 -7.130) 7.991 16.920 ( 1.804 -3.124 7.130) 7.991 19.662 ( 7.712 -13.358 -7.919) 17.338 19.662 ( 7.712 -13.358 7.919) 17.338 20.166 ( -6.671 11.555 -6.045) 14.648 20.166 ( -6.671 11.555 6.045) 14.648 21.557 ( 0.653 -1.130 -3.020) 3.290 21.557 ( 0.653 -1.130 3.020) 3.290======================= Grid point 1977 (220/240) =======================q-point: ( 0.11 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.768 ( 20.395 35.325 -29.219) 50.176 6.768 ( 20.395 35.325 29.219) 50.176 7.550 ( 13.304 23.042 -46.777) 53.815 7.550 ( 13.304 23.042 46.777) 53.815 11.061 ( 19.783 34.265 -57.038) 69.418 11.061 ( 19.783 34.265 57.038) 69.418 19.799 ( -1.089 -1.886 -7.405) 7.719 19.799 ( -1.089 -1.886 7.405) 7.719 19.868 ( 1.625 2.814 -2.302) 3.982 19.868 ( 1.625 2.814 2.302) 3.982 24.209 ( -4.720 -8.175 -29.285) 30.768 24.209 ( -4.720 -8.175 29.285) 30.768======================= Grid point 1979 (221/240) =======================q-point: ( 0.16 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.416 ( 13.547 32.235 -19.289) 39.934 7.416 ( 13.547 32.235 19.289) 39.934 7.930 ( 13.147 14.138 -42.681) 46.844 7.930 ( 13.147 14.138 42.681) 46.844 11.909 ( 35.391 41.602 -41.168) 68.396 11.909 ( 35.391 41.602 41.168) 68.396 19.734 ( -2.515 -4.850 -9.302) 10.788 19.734 ( -2.515 -4.850 9.302) 10.788 19.938 ( 1.612 5.417 -2.327) 6.112 19.938 ( 1.612 5.417 2.327) 6.112 23.998 ( -8.546 -12.639 -27.284) 31.260 23.998 ( -8.546 -12.639 27.284) 31.260======================= Grid point 1981 (222/240) =======================q-point: ( 0.21 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.745 ( 4.075 6.948 -34.106) 35.044 7.745 ( 4.075 6.948 34.106) 35.044 8.380 ( 11.482 33.695 -20.898) 41.278 8.380 ( 11.482 33.695 20.898) 41.278 13.011 ( 46.188 39.772 -30.963) 68.366 13.011 ( 46.188 39.772 30.963) 68.366 19.627 ( -2.835 -7.338 -9.623) 12.429 19.627 ( -2.835 -7.338 9.623) 12.429 20.023 ( 0.425 8.154 -2.706) 8.601 20.023 ( 0.425 8.154 2.706) 8.601 23.667 ( -13.235 -17.491 -24.850) 33.145 23.667 ( -13.235 -17.491 24.850) 33.145======================= Grid point 1983 (223/240) =======================q-point: ( 0.26 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.791 ( 1.769 -4.436 -40.271) 40.554 7.791 ( 1.769 -4.436 40.271) 40.554 8.884 ( 2.941 41.927 -21.748) 47.323 8.884 ( 2.941 41.927 21.748) 47.323 14.194 ( 50.206 33.401 -25.139) 65.332 14.194 ( 50.206 33.401 25.139) 65.332 19.505 ( -1.638 -9.208 -8.950) 12.945 19.505 ( -1.638 -9.208 8.950) 12.945 20.109 ( -1.109 10.678 -2.843) 11.105 20.109 ( -1.109 10.678 2.843) 11.105 23.210 ( -18.159 -21.396 -22.200) 35.783 23.210 ( -18.159 -21.396 22.200) 35.783======================= Grid point 1985 (224/240) =======================q-point: ( 0.32 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.751 ( 1.284 -8.173 -35.241) 36.199 7.751 ( 1.284 -8.173 35.241) 36.199 9.277 ( -5.706 43.067 -22.542) 48.943 9.277 ( -5.706 43.067 22.542) 48.943 15.315 ( 47.323 24.969 -21.015) 57.485 15.315 ( 47.323 24.969 21.015) 57.485 19.405 ( 1.530 -10.336 -7.811) 13.046 19.405 ( 1.530 -10.336 7.811) 13.046 20.193 ( -2.325 12.597 -2.896) 13.133 20.193 ( -2.325 12.597 2.896) 13.133 22.649 ( -22.023 -22.893 -19.120) 37.077 22.649 ( -22.023 -22.893 19.120) 37.077======================= Grid point 1987 (225/240) =======================q-point: ( 0.37 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.690 ( 1.965 -9.183 -27.323) 28.892 7.690 ( 1.965 -9.183 27.323) 28.892 9.531 ( -13.129 41.868 -22.748) 49.424 9.531 ( -13.129 41.868 22.748) 49.424 16.228 ( 36.249 14.333 -16.104) 42.175 16.228 ( 36.249 14.333 16.104) 42.175 19.366 ( 6.300 -11.069 -7.213) 14.637 19.366 ( 6.300 -11.069 7.213) 14.637 20.279 ( -2.553 13.553 -3.050) 14.124 20.279 ( -2.553 13.553 3.050) 14.124 22.054 ( -22.008 -20.014 -14.720) 33.190 22.054 ( -22.008 -20.014 14.720) 33.190======================= Grid point 1989 (226/240) =======================q-point: ( 0.42 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.649 ( 3.672 -8.713 -20.784) 22.834 7.649 ( 3.672 -8.713 20.784) 22.834 9.654 ( -19.296 39.605 -22.770) 49.592 9.654 ( -19.296 39.605 22.770) 49.592 16.757 ( 15.988 0.932 -9.145) 18.442 16.757 ( 15.988 0.932 9.145) 18.442 19.388 ( 8.898 -12.683 -8.002) 17.438 19.388 ( 8.898 -12.683 8.002) 17.438 20.364 ( -3.253 12.213 -3.061) 13.004 20.364 ( -3.253 12.213 3.061) 13.004 21.600 ( -11.009 -9.602 -7.244) 16.306 21.600 ( -11.009 -9.602 7.244) 16.306======================= Grid point 2017 (227/240) =======================q-point: ( 0.16 0.16 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.749 ( 2.327 4.030 -37.425) 37.713 7.749 ( 2.327 4.030 37.425) 37.713 8.456 ( 21.240 36.789 -9.548) 43.540 8.456 ( 21.240 36.789 9.548) 43.540 12.803 ( 28.446 49.270 -32.047) 65.297 12.803 ( 28.446 49.270 32.047) 65.297 19.616 ( -4.084 -7.074 -9.714) 12.691 19.616 ( -4.084 -7.074 9.714) 12.691 20.060 ( 3.962 6.862 -1.467) 8.058 20.060 ( 3.962 6.862 1.467) 8.058 23.692 ( -10.798 -18.703 -25.027) 33.057 23.692 ( -10.798 -18.703 25.027) 33.057======================= Grid point 2019 (228/240) =======================q-point: ( 0.21 0.16 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.747 ( -0.901 -3.561 -42.894) 43.051 7.747 ( -0.901 -3.561 42.894) 43.051 9.168 ( 14.738 42.714 -18.770) 48.929 9.168 ( 14.738 42.714 18.770) 48.929 13.804 ( 36.793 41.207 -26.131) 61.111 13.804 ( 36.793 41.207 26.131) 61.111 19.465 ( -4.094 -9.023 -8.972) 13.366 19.465 ( -4.094 -9.023 8.972) 13.366 20.198 ( 2.639 9.483 -1.333) 9.933 20.198 ( 2.639 9.483 1.333) 9.933 23.270 ( -14.841 -22.945 -22.609) 35.467 23.270 ( -14.841 -22.945 22.609) 35.467======================= Grid point 2021 (229/240) =======================q-point: ( 0.26 0.16 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.677 ( -1.074 -6.772 -37.798) 38.414 7.677 ( -1.074 -6.772 37.798) 38.414 9.753 ( 3.240 45.405 -20.483) 49.917 9.753 ( 3.240 45.405 20.483) 49.917 14.820 ( 40.934 30.560 -22.089) 55.655 14.820 ( 40.934 30.560 22.089) 55.655 19.313 ( -2.419 -10.307 -7.655) 13.064 19.313 ( -2.419 -10.307 7.655) 13.064 20.328 ( 0.642 11.370 -1.518) 11.489 20.328 ( 0.642 11.370 1.518) 11.489 22.754 ( -18.159 -24.898 -19.986) 36.730 22.754 ( -18.159 -24.898 19.986) 36.730======================= Grid point 2023 (230/240) =======================q-point: ( 0.32 0.16 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.591 ( -0.201 -8.123 -29.871) 30.956 7.591 ( -0.201 -8.123 29.871) 30.956 10.160 ( -7.887 46.165 -21.066) 51.354 10.160 ( -7.887 46.165 21.066) 51.354 15.742 ( 38.298 18.599 -18.193) 46.300 15.742 ( 38.298 18.599 18.193) 46.300 19.195 ( 1.137 -10.979 -6.489) 12.804 19.195 ( 1.137 -10.979 6.489) 12.804 20.438 ( -1.152 11.898 -1.834) 12.093 20.438 ( -1.152 11.898 1.834) 12.093 22.195 ( -19.311 -22.808 -16.574) 34.173 22.195 ( -19.311 -22.808 16.574) 34.173======================= Grid point 2025 (231/240) =======================q-point: ( 0.37 0.16 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.521 ( 1.615 -8.053 -21.775) 23.272 7.521 ( 1.615 -8.053 21.775) 23.272 10.392 ( -17.104 45.136 -21.304) 52.760 10.392 ( -17.104 45.136 21.304) 52.760 16.419 ( 26.290 5.094 -12.501) 29.554 16.419 ( 26.290 5.094 12.501) 29.554 19.142 ( 5.465 -11.614 -6.524) 14.399 19.142 ( 5.465 -11.614 6.524) 14.399 20.520 ( -2.150 10.386 -1.753) 10.750 20.520 ( -2.150 10.386 1.753) 10.750 21.707 ( -14.771 -14.580 -11.240) 23.602 21.707 ( -14.771 -14.580 11.240) 23.602======================= Grid point 2027 (232/240) =======================q-point: ( 0.42 0.16 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.495 ( 4.021 -6.965 -17.803) 19.535 7.495 ( 4.021 -6.965 17.803) 19.536 10.467 ( -24.429 42.312 -21.368) 53.326 10.467 ( -24.429 42.312 21.368) 53.326 16.675 ( 5.304 -9.187 -7.380) 12.923 16.675 ( 5.304 -9.187 7.380) 12.923 19.136 ( 7.163 -12.407 -7.149) 16.011 19.136 ( 7.163 -12.407 7.149) 16.011 20.557 ( -4.277 7.408 -0.199) 8.556 20.557 ( -4.277 7.408 0.199) 8.556 21.494 ( 0.852 -1.476 -5.693) 5.943 21.494 ( 0.852 -1.476 5.693) 5.943======================= Grid point 2059 (233/240) =======================q-point: ( 0.21 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.653 ( -3.259 -5.645 -38.775) 39.319 7.653 ( -3.259 -5.645 38.775) 39.319 9.963 ( 21.674 37.541 -19.380) 47.484 9.963 ( 21.674 37.541 19.380) 47.484 14.608 ( 23.628 40.924 -22.420) 52.304 14.608 ( 23.628 40.924 22.420) 52.304 19.283 ( -5.403 -9.358 -7.544) 13.178 19.283 ( -5.403 -9.358 7.544) 13.178 20.380 ( 5.156 8.931 -0.052) 10.313 20.380 ( 5.156 8.931 0.052) 10.313 22.785 ( -15.237 -26.391 -20.261) 36.595 22.785 ( -15.237 -26.391 20.261) 36.595======================= Grid point 2061 (234/240) =======================q-point: ( 0.26 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.539 ( -2.536 -7.034 -31.360) 32.239 7.539 ( -2.536 -7.034 31.360) 32.239 10.602 ( 8.440 40.496 -19.724) 45.828 10.602 ( 8.440 40.496 19.724) 45.828 15.381 ( 27.877 26.802 -19.032) 43.101 15.381 ( 27.877 26.802 19.032) 43.101 19.112 ( -3.328 -9.956 -5.859) 12.022 19.112 ( -3.328 -9.956 5.859) 12.022 20.535 ( 2.308 9.350 -1.198) 9.704 20.535 ( 2.308 9.350 1.198) 9.704 22.263 ( -16.159 -24.652 -17.459) 34.259 22.263 ( -16.159 -24.652 17.459) 34.259======================= Grid point 2063 (235/240) =======================q-point: ( 0.32 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.440 ( -0.811 -7.153 -22.735) 23.847 7.440 ( -0.811 -7.153 22.735) 23.847 11.030 ( -5.346 41.830 -20.099) 46.715 11.030 ( -5.346 41.830 20.099) 46.715 16.035 ( 25.997 11.392 -14.638) 31.936 16.035 ( 25.997 11.392 14.638) 31.936 18.987 ( 0.297 -9.982 -4.798) 11.080 18.987 ( 0.297 -9.982 4.798) 11.080 20.632 ( -0.623 7.292 -2.212) 7.646 20.632 ( -0.623 7.292 2.212) 7.646 21.795 ( -13.637 -17.202 -13.401) 25.719 21.795 ( -13.637 -17.202 13.401) 25.719======================= Grid point 2065 (236/240) =======================q-point: ( 0.37 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.381 ( 1.736 -6.201 -15.557) 16.837 7.381 ( 1.736 -6.201 15.557) 16.837 11.240 ( -17.102 40.268 -20.345) 48.249 11.240 ( -17.102 40.268 20.345) 48.249 16.429 ( 14.654 -3.687 -8.595) 17.384 16.429 ( 14.654 -3.687 8.595) 17.384 18.929 ( 4.034 -9.706 -4.984) 11.633 18.929 ( 4.034 -9.706 4.984) 11.633 20.660 ( -1.919 3.742 -2.590) 4.939 20.660 ( -1.919 3.742 2.590) 4.939 21.513 ( -5.777 -5.178 -8.393) 11.429 21.513 ( -5.777 -5.178 8.393) 11.429======================= Grid point 2099 (237/240) =======================q-point: ( 0.26 0.26 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.411 ( -3.389 -5.870 -23.132) 24.104 7.411 ( -3.389 -5.870 23.132) 24.104 11.296 ( 17.225 29.835 -19.539) 39.605 11.296 ( 17.225 29.835 19.539) 39.605 15.854 ( 12.274 21.260 -15.241) 28.895 15.854 ( 12.274 21.260 15.241) 28.895 18.937 ( -4.466 -7.736 -3.955) 9.769 18.937 ( -4.466 -7.736 3.955) 9.769 20.674 ( 2.572 4.455 -2.529) 5.733 20.674 ( 2.572 4.455 2.529) 5.733 21.827 ( -10.961 -18.985 -14.074) 26.051 21.827 ( -10.961 -18.985 14.074) 26.051======================= Grid point 2101 (238/240) =======================q-point: ( 0.32 0.26 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 1083Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.319 ( -1.010 -4.994 -14.368) 15.245 7.319 ( -1.010 -4.994 14.368) 15.245 11.744 ( 0.744 30.063 -19.744) 35.975 11.744 ( 0.744 30.063 19.744) 35.975 16.189 ( 11.567 4.633 -9.853) 15.885 16.189 ( 11.567 4.633 9.853) 15.885 18.820 ( -0.729 -6.838 -2.827) 7.435 18.820 ( -0.729 -6.838 2.827) 7.435 20.704 ( -1.143 0.198 -3.359) 3.553 20.704 ( -1.143 0.198 3.359) 3.553 21.555 ( -5.714 -7.189 -9.910) 13.511 21.555 ( -5.714 -7.189 9.910) 13.511======================= Grid point 2103 (239/240) =======================q-point: ( 0.37 0.26 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.285 ( 1.973 -3.417 -9.232) 10.040 7.285 ( 1.973 -3.417 9.232) 10.040 11.898 ( -14.585 25.262 -19.890) 35.306 11.898 ( -14.585 25.262 19.890) 35.306 16.313 ( 3.841 -6.652 -5.338) 9.354 16.313 ( 3.841 -6.652 5.338) 9.354 18.781 ( 3.023 -5.235 -2.740) 6.637 18.781 ( 3.023 -5.235 2.741) 6.637 20.685 ( 0.155 -0.268 -2.855) 2.872 20.685 ( 0.155 -0.268 2.855) 2.872 21.478 ( -0.183 0.317 -7.870) 7.878 21.478 ( -0.183 0.317 7.870) 7.878======================= Grid point 2141 (240/240) =======================q-point: ( 0.32 0.32 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.251 ( -1.041 -1.802 -5.449) 5.833 7.251 ( -1.041 -1.802 5.449) 5.833 12.157 ( 6.449 11.169 -19.787) 23.619 12.157 ( 6.449 11.169 19.787) 23.619 16.236 ( 0.456 0.789 -3.843) 3.949 16.236 ( 0.456 0.789 3.843) 3.949 18.729 ( -1.359 -2.355 -1.047) 2.913 18.729 ( -1.359 -2.355 1.047) 2.913 20.679 ( -0.839 -1.453 -1.920) 2.550 20.679 ( -0.839 -1.453 1.920) 2.550 21.486 ( -0.621 -1.076 -7.885) 7.983 21.486 ( -0.621 -1.076 7.885) 7.983=================== 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 3/43320 10.0 107177.327 107177.327 44728.174 -0.000 0.000 0.000 3/43320 20.0 54379.476 54379.476 33574.535 -0.000 0.000 0.000 3/43320 30.0 26604.008 26604.008 20669.507 -0.000 0.000 0.000 3/43320 40.0 16644.226 16644.226 13846.812 -0.000 0.000 0.000 3/43320 50.0 11155.111 11155.111 9637.436 -0.000 0.000 0.000 3/43320 60.0 7843.596 7843.596 6914.309 -0.000 0.000 0.000 3/43320 70.0 5717.629 5717.629 5091.083 -0.000 -0.000 0.000 3/43320 80.0 4292.318 4292.318 3839.267 -0.000 -0.000 0.000 3/43320 90.0 3304.094 3304.094 2959.244 -0.000 -0.000 0.000 3/43320 100.0 2599.724 2599.724 2326.806 -0.000 -0.000 0.000 3/43320 110.0 2086.226 2086.226 1863.488 -0.000 -0.000 0.000 3/43320 120.0 1704.729 1704.729 1518.409 -0.000 -0.000 0.000 3/43320 130.0 1416.489 1416.489 1257.583 -0.000 -0.000 0.000 3/43320 140.0 1195.265 1195.265 1057.706 0.000 -0.000 0.000 3/43320 150.0 1022.926 1022.926 902.476 0.000 -0.000 0.000 3/43320 160.0 886.749 886.749 780.317 0.000 -0.000 0.000 3/43320 170.0 777.687 777.687 682.926 0.000 -0.000 0.000 3/43320 180.0 689.225 689.225 604.290 0.000 -0.000 0.000 3/43320 190.0 616.612 616.612 540.019 0.000 -0.000 0.000 3/43320 200.0 556.341 556.341 486.876 0.000 -0.000 0.000 3/43320 210.0 505.791 505.791 442.453 0.000 -0.000 0.000 3/43320 220.0 462.982 462.982 404.938 0.000 -0.000 0.000 3/43320 230.0 426.401 426.401 372.956 0.000 0.000 0.000 3/43320 240.0 394.881 394.881 345.449 0.000 0.000 0.000 3/43320 250.0 367.510 367.510 321.598 0.000 0.000 0.000 3/43320 260.0 343.571 343.571 300.761 0.000 0.000 0.000 3/43320 270.0 322.492 322.492 282.428 0.000 0.000 0.000 3/43320 280.0 303.816 303.816 266.195 0.000 0.000 0.000 3/43320 290.0 287.174 287.174 251.735 0.000 0.000 0.000 3/43320 300.0 272.264 272.264 238.783 0.000 0.000 0.000 3/43320 310.0 258.840 258.840 227.122 0.000 0.000 0.000 3/43320 320.0 246.697 246.697 216.574 0.000 0.000 0.000 3/43320 330.0 235.665 235.665 206.989 0.000 0.000 0.000 3/43320 340.0 225.602 225.602 198.244 0.000 0.000 0.000 3/43320 350.0 216.388 216.388 190.234 0.000 0.000 0.000 3/43320 360.0 207.922 207.922 182.872 0.000 0.000 0.000 3/43320 370.0 200.117 200.117 176.083 0.000 0.000 0.000 3/43320 380.0 192.900 192.900 169.802 0.000 0.000 0.000 3/43320 390.0 186.207 186.207 163.975 0.000 0.000 0.000 3/43320 400.0 179.982 179.982 158.554 0.000 0.000 0.000 3/43320 410.0 174.180 174.180 153.497 0.000 0.000 0.000 3/43320 420.0 168.757 168.757 148.769 0.000 0.000 0.000 3/43320 430.0 163.677 163.677 144.339 0.000 0.000 0.000 3/43320 440.0 158.909 158.909 140.178 0.000 0.000 0.000 3/43320 450.0 154.425 154.425 136.264 0.000 0.000 0.000 3/43320 460.0 150.200 150.200 132.573 0.000 0.000 0.000 3/43320 470.0 146.211 146.211 129.087 0.000 0.000 0.000 3/43320 480.0 142.439 142.439 125.790 0.000 0.000 0.000 3/43320 490.0 138.867 138.867 122.666 0.000 0.000 0.000 3/43320 500.0 135.478 135.478 119.701 0.000 0.000 0.000 3/43320 510.0 132.260 132.260 116.884 0.000 0.000 0.000 3/43320 520.0 129.198 129.198 114.203 0.000 0.000 0.000 3/43320 530.0 126.282 126.282 111.648 0.000 0.000 0.000 3/43320 540.0 123.501 123.501 109.211 0.000 0.000 0.000 3/43320 550.0 120.846 120.846 106.884 0.000 0.000 0.000 3/43320 560.0 118.308 118.308 104.658 0.000 0.000 0.000 3/43320 570.0 115.880 115.880 102.527 0.000 0.000 0.000 3/43320 580.0 113.554 113.554 100.486 0.000 0.000 0.000 3/43320 590.0 111.324 111.324 98.528 0.000 0.000 0.000 3/43320 600.0 109.184 109.184 96.649 0.000 0.000 0.000 3/43320 610.0 107.128 107.128 94.843 0.000 0.000 0.000 3/43320 620.0 105.152 105.152 93.106 0.000 0.000 0.000 3/43320 630.0 103.250 103.250 91.435 0.000 0.000 0.000 3/43320 640.0 101.420 101.420 89.825 0.000 0.000 0.000 3/43320 650.0 99.655 99.655 88.273 0.000 0.000 0.000 3/43320 660.0 97.954 97.954 86.777 0.000 0.000 0.000 3/43320 670.0 96.312 96.312 85.332 0.000 0.000 0.000 3/43320 680.0 94.726 94.726 83.936 0.000 0.000 0.000 3/43320 690.0 93.194 93.194 82.587 0.000 0.000 0.000 3/43320 700.0 91.713 91.713 81.283 0.000 0.000 0.000 3/43320 710.0 90.280 90.280 80.020 0.000 0.000 0.000 3/43320 720.0 88.893 88.893 78.798 0.000 0.000 0.000 3/43320 730.0 87.549 87.549 77.614 0.000 0.000 0.000 3/43320 740.0 86.246 86.246 76.466 0.000 0.000 0.000 3/43320 750.0 84.984 84.984 75.353 0.000 0.000 0.000 3/43320 760.0 83.759 83.759 74.272 0.000 0.000 0.000 3/43320 770.0 82.570 82.570 73.224 0.000 0.000 0.000 3/43320 780.0 81.415 81.415 72.206 0.000 0.000 0.000 3/43320 790.0 80.294 80.294 71.216 0.000 0.000 0.000 3/43320 800.0 79.204 79.204 70.254 0.000 0.000 0.000 3/43320 810.0 78.144 78.144 69.319 0.000 0.000 0.000 3/43320 820.0 77.113 77.113 68.408 0.000 0.000 0.000 3/43320 830.0 76.110 76.110 67.523 0.000 0.000 0.000 3/43320 840.0 75.133 75.133 66.660 0.000 0.000 0.000 3/43320 850.0 74.182 74.182 65.820 0.000 0.000 0.000 3/43320 860.0 73.255 73.255 65.002 0.000 0.000 0.000 3/43320 870.0 72.352 72.352 64.204 0.000 0.000 0.000 3/43320 880.0 71.471 71.471 63.426 0.000 0.000 0.000 3/43320 890.0 70.613 70.613 62.667 0.000 0.000 0.000 3/43320 900.0 69.775 69.775 61.926 0.000 0.000 0.000 3/43320 910.0 68.957 68.957 61.204 0.000 0.000 0.000 3/43320 920.0 68.159 68.159 60.498 0.000 0.000 0.000 3/43320 930.0 67.380 67.380 59.809 0.000 0.000 0.000 3/43320 940.0 66.618 66.618 59.136 0.000 0.000 0.000 3/43320 950.0 65.874 65.874 58.478 0.000 0.000 0.000 3/43320 960.0 65.147 65.147 57.835 0.000 0.000 0.000 3/43320 970.0 64.437 64.437 57.206 0.000 0.000 0.000 3/43320 980.0 63.742 63.742 56.592 0.000 0.000 0.000 3/43320 990.0 63.062 63.062 55.990 0.000 0.000 0.000 3/43320 1000.0 62.397 62.397 55.402 0.000 0.000 0.000 3/43320Thermal conductivity related properties were written into "kappa-m191910.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 18:37:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|