# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/10b94bc4-1099-4404-b5e1-3300053ea7f8/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 LiAgF2 / P6_3/mmc (194) / materials id 752927](https://mdr.nims.go.jp/datasets/e0379c20-113a-47d2-9f88-16c35b707d7c) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 22:59:34]-------------------------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 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)Number of symmetry operations in supercell: 384------------------------------ primitive cell ------------------------------Lattice vectors: a 2.936387478685992 0.000000000000000 0.000000000000000 b -1.468193739342996 2.542986151896606 0.000000000000000 c 0.000000000000000 0.000000000000000 11.491906040000000Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 *3 Ag 0.33333333333333 0.66666666666667 0.75000000000000 107.868 4 Ag 0.66666666666667 0.33333333333333 0.25000000000000 107.868 *5 F 0.66666666666667 0.33333333333333 0.90476745879492 18.998 6 F 0.33333333333333 0.66666666666667 0.40476745879492 18.998 7 F 0.33333333333333 0.66666666666667 0.09523254120508 18.998 8 F 0.66666666666667 0.33333333333333 0.59523254120508 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 2.936387478685992 0.000000000000000 0.000000000000000 b -1.468193739342996 2.542986151896606 0.000000000000000 c 0.000000000000000 0.000000000000000 11.491906040000000Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 *3 Ag 0.33333333333333 0.66666666666667 0.75000000000000 107.868 > 3 4 Ag 0.66666666666667 0.33333333333333 0.25000000000000 107.868 > 4 *5 F 0.66666666666667 0.33333333333333 0.90476745879492 18.998 > 5 6 F 0.33333333333333 0.66666666666667 0.40476745879492 18.998 > 6 7 F 0.33333333333333 0.66666666666667 0.09523254120508 18.998 > 7 8 F 0.66666666666667 0.33333333333333 0.59523254120508 18.998 > 8-------------------------------- super cell --------------------------------Lattice vectors: a 11.745549914743968 0.000000000000000 0.000000000000000 b -5.872774957371984 10.171944607586424 0.000000000000000 c 0.000000000000000 0.000000000000000 11.491906040000000Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 6 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 7 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 1 8 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 9 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.25000000000000 0.50000000000000 0.00000000000000 6.941 > 1 11 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 12 Li 0.75000000000000 0.50000000000000 0.00000000000000 6.941 > 1 13 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 14 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 15 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 1 16 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 17 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 18 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 2 19 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 2 20 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 2 21 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 2 22 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 2 23 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 2 24 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 2 25 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 2 26 Li 0.25000000000000 0.50000000000000 0.50000000000000 6.941 > 2 27 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 28 Li 0.75000000000000 0.50000000000000 0.50000000000000 6.941 > 2 29 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 2 30 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 2 31 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 2 32 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 2 *33 Ag 0.08333333333333 0.16666666666667 0.75000000000000 107.868 > 3 34 Ag 0.33333333333333 0.16666666666667 0.75000000000000 107.868 > 3 35 Ag 0.58333333333333 0.16666666666667 0.75000000000000 107.868 > 3 36 Ag 0.83333333333333 0.16666666666667 0.75000000000000 107.868 > 3 37 Ag 0.08333333333333 0.41666666666667 0.75000000000000 107.868 > 3 38 Ag 0.33333333333333 0.41666666666667 0.75000000000000 107.868 > 3 39 Ag 0.58333333333333 0.41666666666667 0.75000000000000 107.868 > 3 40 Ag 0.83333333333333 0.41666666666667 0.75000000000000 107.868 > 3 41 Ag 0.08333333333333 0.66666666666667 0.75000000000000 107.868 > 3 42 Ag 0.33333333333333 0.66666666666667 0.75000000000000 107.868 > 3 43 Ag 0.58333333333333 0.66666666666667 0.75000000000000 107.868 > 3 44 Ag 0.83333333333333 0.66666666666667 0.75000000000000 107.868 > 3 45 Ag 0.08333333333333 0.91666666666667 0.75000000000000 107.868 > 3 46 Ag 0.33333333333333 0.91666666666667 0.75000000000000 107.868 > 3 47 Ag 0.58333333333333 0.91666666666667 0.75000000000000 107.868 > 3 48 Ag 0.83333333333333 0.91666666666667 0.75000000000000 107.868 > 3 49 Ag 0.16666666666667 0.08333333333333 0.25000000000000 107.868 > 4 50 Ag 0.41666666666667 0.08333333333333 0.25000000000000 107.868 > 4 51 Ag 0.66666666666667 0.08333333333333 0.25000000000000 107.868 > 4 52 Ag 0.91666666666667 0.08333333333333 0.25000000000000 107.868 > 4 53 Ag 0.16666666666667 0.33333333333333 0.25000000000000 107.868 > 4 54 Ag 0.41666666666667 0.33333333333333 0.25000000000000 107.868 > 4 55 Ag 0.66666666666667 0.33333333333333 0.25000000000000 107.868 > 4 56 Ag 0.91666666666667 0.33333333333333 0.25000000000000 107.868 > 4 57 Ag 0.16666666666667 0.58333333333333 0.25000000000000 107.868 > 4 58 Ag 0.41666666666667 0.58333333333333 0.25000000000000 107.868 > 4 59 Ag 0.66666666666667 0.58333333333333 0.25000000000000 107.868 > 4 60 Ag 0.91666666666667 0.58333333333333 0.25000000000000 107.868 > 4 61 Ag 0.16666666666667 0.83333333333333 0.25000000000000 107.868 > 4 62 Ag 0.41666666666667 0.83333333333333 0.25000000000000 107.868 > 4 63 Ag 0.66666666666667 0.83333333333333 0.25000000000000 107.868 > 4 64 Ag 0.91666666666667 0.83333333333333 0.25000000000000 107.868 > 4 *65 F 0.16666666666667 0.08333333333333 0.90476745879492 18.998 > 5 66 F 0.41666666666667 0.08333333333333 0.90476745879492 18.998 > 5 67 F 0.66666666666667 0.08333333333333 0.90476745879492 18.998 > 5 68 F 0.91666666666667 0.08333333333333 0.90476745879492 18.998 > 5 69 F 0.16666666666667 0.33333333333333 0.90476745879492 18.998 > 5 70 F 0.41666666666667 0.33333333333333 0.90476745879492 18.998 > 5 71 F 0.66666666666667 0.33333333333333 0.90476745879492 18.998 > 5 72 F 0.91666666666667 0.33333333333333 0.90476745879492 18.998 > 5 73 F 0.16666666666667 0.58333333333333 0.90476745879492 18.998 > 5 74 F 0.41666666666667 0.58333333333333 0.90476745879492 18.998 > 5 75 F 0.66666666666667 0.58333333333333 0.90476745879492 18.998 > 5 76 F 0.91666666666667 0.58333333333333 0.90476745879492 18.998 > 5 77 F 0.16666666666667 0.83333333333333 0.90476745879492 18.998 > 5 78 F 0.41666666666667 0.83333333333333 0.90476745879492 18.998 > 5 79 F 0.66666666666667 0.83333333333333 0.90476745879492 18.998 > 5 80 F 0.91666666666667 0.83333333333333 0.90476745879492 18.998 > 5 81 F 0.08333333333333 0.16666666666667 0.40476745879492 18.998 > 6 82 F 0.33333333333333 0.16666666666667 0.40476745879492 18.998 > 6 83 F 0.58333333333333 0.16666666666667 0.40476745879492 18.998 > 6 84 F 0.83333333333333 0.16666666666667 0.40476745879492 18.998 > 6 85 F 0.08333333333333 0.41666666666667 0.40476745879492 18.998 > 6 86 F 0.33333333333333 0.41666666666667 0.40476745879492 18.998 > 6 87 F 0.58333333333333 0.41666666666667 0.40476745879492 18.998 > 6 88 F 0.83333333333333 0.41666666666667 0.40476745879492 18.998 > 6 89 F 0.08333333333333 0.66666666666667 0.40476745879492 18.998 > 6 90 F 0.33333333333333 0.66666666666667 0.40476745879492 18.998 > 6 91 F 0.58333333333333 0.66666666666667 0.40476745879492 18.998 > 6 92 F 0.83333333333333 0.66666666666667 0.40476745879492 18.998 > 6 93 F 0.08333333333333 0.91666666666667 0.40476745879492 18.998 > 6 94 F 0.33333333333333 0.91666666666667 0.40476745879492 18.998 > 6 95 F 0.58333333333333 0.91666666666667 0.40476745879492 18.998 > 6 96 F 0.83333333333333 0.91666666666667 0.40476745879492 18.998 > 6 97 F 0.08333333333333 0.16666666666667 0.09523254120508 18.998 > 7 98 F 0.33333333333333 0.16666666666667 0.09523254120508 18.998 > 7 99 F 0.58333333333333 0.16666666666667 0.09523254120508 18.998 > 7 100 F 0.83333333333333 0.16666666666667 0.09523254120508 18.998 > 7 101 F 0.08333333333333 0.41666666666667 0.09523254120508 18.998 > 7 102 F 0.33333333333333 0.41666666666667 0.09523254120508 18.998 > 7 103 F 0.58333333333333 0.41666666666667 0.09523254120508 18.998 > 7 104 F 0.83333333333333 0.41666666666667 0.09523254120508 18.998 > 7 105 F 0.08333333333333 0.66666666666667 0.09523254120508 18.998 > 7 106 F 0.33333333333333 0.66666666666667 0.09523254120508 18.998 > 7 107 F 0.58333333333333 0.66666666666667 0.09523254120508 18.998 > 7 108 F 0.83333333333333 0.66666666666667 0.09523254120508 18.998 > 7 109 F 0.08333333333333 0.91666666666667 0.09523254120508 18.998 > 7 110 F 0.33333333333333 0.91666666666667 0.09523254120508 18.998 > 7 111 F 0.58333333333333 0.91666666666667 0.09523254120508 18.998 > 7 112 F 0.83333333333333 0.91666666666667 0.09523254120508 18.998 > 7 113 F 0.16666666666667 0.08333333333333 0.59523254120508 18.998 > 8 114 F 0.41666666666667 0.08333333333333 0.59523254120508 18.998 > 8 115 F 0.66666666666667 0.08333333333333 0.59523254120508 18.998 > 8 116 F 0.91666666666667 0.08333333333333 0.59523254120508 18.998 > 8 117 F 0.16666666666667 0.33333333333333 0.59523254120508 18.998 > 8 118 F 0.41666666666667 0.33333333333333 0.59523254120508 18.998 > 8 119 F 0.66666666666667 0.33333333333333 0.59523254120508 18.998 > 8 120 F 0.91666666666667 0.33333333333333 0.59523254120508 18.998 > 8 121 F 0.16666666666667 0.58333333333333 0.59523254120508 18.998 > 8 122 F 0.41666666666667 0.58333333333333 0.59523254120508 18.998 > 8 123 F 0.66666666666667 0.58333333333333 0.59523254120508 18.998 > 8 124 F 0.91666666666667 0.58333333333333 0.59523254120508 18.998 > 8 125 F 0.16666666666667 0.83333333333333 0.59523254120508 18.998 > 8 126 F 0.41666666666667 0.83333333333333 0.59523254120508 18.998 > 8 127 F 0.66666666666667 0.83333333333333 0.59523254120508 18.998 > 8 128 F 0.91666666666667 0.83333333333333 0.59523254120508 18.998 > 8----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7161892 -0.0000000 0.0000000 -0.0000000 3.7161892 0.0000000 0.0000000 0.0000000 3.3000209-------------------------- Born effective charges -------------------------- 1 Li 1.0843194 -0.0000000 0.0000000 -0.0000000 1.0843194 0.0000000 0.0000000 0.0000000 1.4378098 2 Li 1.0843194 -0.0000000 0.0000000 -0.0000000 1.0843194 0.0000000 0.0000000 0.0000000 1.4378098 3 Ag 1.1700861 -0.0000000 0.0000000 -0.0000000 1.1700861 0.0000000 0.0000000 0.0000000 1.3970928 4 Ag 1.1700861 -0.0000000 0.0000000 -0.0000000 1.1700861 0.0000000 0.0000000 0.0000000 1.3970928 5 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513 6 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513 7 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513 8 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513----------------------------------------------------------------------------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: 5136/5136Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 259Number of blocks in projector: 199Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 123Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 76Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 60Use standard eigh solver.Tree of FC basis block matrices:- (259, 253), data: False|-- (60, 57), data: True|-- (76, 76), data: True|-- (123, 120), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.008Solver_block: 80 / 80 - Time: 0.176Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.186--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384Permutation basis: 5136/5136Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 259Number of blocks in projector: 199Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 123Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 76Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 60Use standard eigh solver.Tree of FC basis block matrices:- (259, 253), data: False|-- (60, 57), data: True|-- (76, 76), data: True|-- (123, 120), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 22:59:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 22:59:38]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [4 4 1]Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.936387478685992 0.000000000000000 0.000000000000000 b -1.468193739342996 2.542986151896606 0.000000000000000 c 0.000000000000000 0.000000000000000 11.491906040000000Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 Ag 0.33333333333333 0.66666666666667 0.75000000000000 107.868 4 Ag 0.66666666666667 0.33333333333333 0.25000000000000 107.868 5 F 0.66666666666667 0.33333333333333 0.90476745879492 18.998 6 F 0.33333333333333 0.66666666666667 0.40476745879492 18.998 7 F 0.33333333333333 0.66666666666667 0.09523254120508 18.998 8 F 0.66666666666667 0.33333333333333 0.59523254120508 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 11.745549914743968 0.000000000000000 0.000000000000000 b -5.872774957371984 10.171944607586424 0.000000000000000 c 0.000000000000000 0.000000000000000 11.491906040000000Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 6 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 7 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 1 8 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 9 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.25000000000000 0.50000000000000 0.00000000000000 6.941 > 1 11 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 12 Li 0.75000000000000 0.50000000000000 0.00000000000000 6.941 > 1 13 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 14 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 15 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 1 16 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 17 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 17 18 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 17 19 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 17 20 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 17 21 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 17 22 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 17 23 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 17 24 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 17 25 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 17 26 Li 0.25000000000000 0.50000000000000 0.50000000000000 6.941 > 17 27 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 17 28 Li 0.75000000000000 0.50000000000000 0.50000000000000 6.941 > 17 29 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 17 30 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 17 31 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 17 32 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 17 33 Ag 0.08333333333333 0.16666666666667 0.75000000000000 107.868 > 33 34 Ag 0.33333333333333 0.16666666666667 0.75000000000000 107.868 > 33 35 Ag 0.58333333333333 0.16666666666667 0.75000000000000 107.868 > 33 36 Ag 0.83333333333333 0.16666666666667 0.75000000000000 107.868 > 33 37 Ag 0.08333333333333 0.41666666666667 0.75000000000000 107.868 > 33 38 Ag 0.33333333333333 0.41666666666667 0.75000000000000 107.868 > 33 39 Ag 0.58333333333333 0.41666666666667 0.75000000000000 107.868 > 33 40 Ag 0.83333333333333 0.41666666666667 0.75000000000000 107.868 > 33 41 Ag 0.08333333333333 0.66666666666667 0.75000000000000 107.868 > 33 42 Ag 0.33333333333333 0.66666666666667 0.75000000000000 107.868 > 33 43 Ag 0.58333333333333 0.66666666666667 0.75000000000000 107.868 > 33 44 Ag 0.83333333333333 0.66666666666667 0.75000000000000 107.868 > 33 45 Ag 0.08333333333333 0.91666666666667 0.75000000000000 107.868 > 33 46 Ag 0.33333333333333 0.91666666666667 0.75000000000000 107.868 > 33 47 Ag 0.58333333333333 0.91666666666667 0.75000000000000 107.868 > 33 48 Ag 0.83333333333333 0.91666666666667 0.75000000000000 107.868 > 33 49 Ag 0.16666666666667 0.08333333333333 0.25000000000000 107.868 > 49 50 Ag 0.41666666666667 0.08333333333333 0.25000000000000 107.868 > 49 51 Ag 0.66666666666667 0.08333333333333 0.25000000000000 107.868 > 49 52 Ag 0.91666666666667 0.08333333333333 0.25000000000000 107.868 > 49 53 Ag 0.16666666666667 0.33333333333333 0.25000000000000 107.868 > 49 54 Ag 0.41666666666667 0.33333333333333 0.25000000000000 107.868 > 49 55 Ag 0.66666666666667 0.33333333333333 0.25000000000000 107.868 > 49 56 Ag 0.91666666666667 0.33333333333333 0.25000000000000 107.868 > 49 57 Ag 0.16666666666667 0.58333333333333 0.25000000000000 107.868 > 49 58 Ag 0.41666666666667 0.58333333333333 0.25000000000000 107.868 > 49 59 Ag 0.66666666666667 0.58333333333333 0.25000000000000 107.868 > 49 60 Ag 0.91666666666667 0.58333333333333 0.25000000000000 107.868 > 49 61 Ag 0.16666666666667 0.83333333333333 0.25000000000000 107.868 > 49 62 Ag 0.41666666666667 0.83333333333333 0.25000000000000 107.868 > 49 63 Ag 0.66666666666667 0.83333333333333 0.25000000000000 107.868 > 49 64 Ag 0.91666666666667 0.83333333333333 0.25000000000000 107.868 > 49 65 F 0.16666666666667 0.08333333333333 0.90476745879492 18.998 > 65 66 F 0.41666666666667 0.08333333333333 0.90476745879492 18.998 > 65 67 F 0.66666666666667 0.08333333333333 0.90476745879492 18.998 > 65 68 F 0.91666666666667 0.08333333333333 0.90476745879492 18.998 > 65 69 F 0.16666666666667 0.33333333333333 0.90476745879492 18.998 > 65 70 F 0.41666666666667 0.33333333333333 0.90476745879492 18.998 > 65 71 F 0.66666666666667 0.33333333333333 0.90476745879492 18.998 > 65 72 F 0.91666666666667 0.33333333333333 0.90476745879492 18.998 > 65 73 F 0.16666666666667 0.58333333333333 0.90476745879492 18.998 > 65 74 F 0.41666666666667 0.58333333333333 0.90476745879492 18.998 > 65 75 F 0.66666666666667 0.58333333333333 0.90476745879492 18.998 > 65 76 F 0.91666666666667 0.58333333333333 0.90476745879492 18.998 > 65 77 F 0.16666666666667 0.83333333333333 0.90476745879492 18.998 > 65 78 F 0.41666666666667 0.83333333333333 0.90476745879492 18.998 > 65 79 F 0.66666666666667 0.83333333333333 0.90476745879492 18.998 > 65 80 F 0.91666666666667 0.83333333333333 0.90476745879492 18.998 > 65 81 F 0.08333333333333 0.16666666666667 0.40476745879492 18.998 > 81 82 F 0.33333333333333 0.16666666666667 0.40476745879492 18.998 > 81 83 F 0.58333333333333 0.16666666666667 0.40476745879492 18.998 > 81 84 F 0.83333333333333 0.16666666666667 0.40476745879492 18.998 > 81 85 F 0.08333333333333 0.41666666666667 0.40476745879492 18.998 > 81 86 F 0.33333333333333 0.41666666666667 0.40476745879492 18.998 > 81 87 F 0.58333333333333 0.41666666666667 0.40476745879492 18.998 > 81 88 F 0.83333333333333 0.41666666666667 0.40476745879492 18.998 > 81 89 F 0.08333333333333 0.66666666666667 0.40476745879492 18.998 > 81 90 F 0.33333333333333 0.66666666666667 0.40476745879492 18.998 > 81 91 F 0.58333333333333 0.66666666666667 0.40476745879492 18.998 > 81 92 F 0.83333333333333 0.66666666666667 0.40476745879492 18.998 > 81 93 F 0.08333333333333 0.91666666666667 0.40476745879492 18.998 > 81 94 F 0.33333333333333 0.91666666666667 0.40476745879492 18.998 > 81 95 F 0.58333333333333 0.91666666666667 0.40476745879492 18.998 > 81 96 F 0.83333333333333 0.91666666666667 0.40476745879492 18.998 > 81 97 F 0.08333333333333 0.16666666666667 0.09523254120508 18.998 > 97 98 F 0.33333333333333 0.16666666666667 0.09523254120508 18.998 > 97 99 F 0.58333333333333 0.16666666666667 0.09523254120508 18.998 > 97 100 F 0.83333333333333 0.16666666666667 0.09523254120508 18.998 > 97 101 F 0.08333333333333 0.41666666666667 0.09523254120508 18.998 > 97 102 F 0.33333333333333 0.41666666666667 0.09523254120508 18.998 > 97 103 F 0.58333333333333 0.41666666666667 0.09523254120508 18.998 > 97 104 F 0.83333333333333 0.41666666666667 0.09523254120508 18.998 > 97 105 F 0.08333333333333 0.66666666666667 0.09523254120508 18.998 > 97 106 F 0.33333333333333 0.66666666666667 0.09523254120508 18.998 > 97 107 F 0.58333333333333 0.66666666666667 0.09523254120508 18.998 > 97 108 F 0.83333333333333 0.66666666666667 0.09523254120508 18.998 > 97 109 F 0.08333333333333 0.91666666666667 0.09523254120508 18.998 > 97 110 F 0.33333333333333 0.91666666666667 0.09523254120508 18.998 > 97 111 F 0.58333333333333 0.91666666666667 0.09523254120508 18.998 > 97 112 F 0.83333333333333 0.91666666666667 0.09523254120508 18.998 > 97 113 F 0.16666666666667 0.08333333333333 0.59523254120508 18.998 > 113 114 F 0.41666666666667 0.08333333333333 0.59523254120508 18.998 > 113 115 F 0.66666666666667 0.08333333333333 0.59523254120508 18.998 > 113 116 F 0.91666666666667 0.08333333333333 0.59523254120508 18.998 > 113 117 F 0.16666666666667 0.33333333333333 0.59523254120508 18.998 > 113 118 F 0.41666666666667 0.33333333333333 0.59523254120508 18.998 > 113 119 F 0.66666666666667 0.33333333333333 0.59523254120508 18.998 > 113 120 F 0.91666666666667 0.33333333333333 0.59523254120508 18.998 > 113 121 F 0.16666666666667 0.58333333333333 0.59523254120508 18.998 > 113 122 F 0.41666666666667 0.58333333333333 0.59523254120508 18.998 > 113 123 F 0.66666666666667 0.58333333333333 0.59523254120508 18.998 > 113 124 F 0.91666666666667 0.58333333333333 0.59523254120508 18.998 > 113 125 F 0.16666666666667 0.83333333333333 0.59523254120508 18.998 > 113 126 F 0.41666666666667 0.83333333333333 0.59523254120508 18.998 > 113 127 F 0.66666666666667 0.83333333333333 0.59523254120508 18.998 > 113 128 F 0.91666666666667 0.83333333333333 0.59523254120508 18.998 > 113----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7161892 -0.0000000 0.0000000 -0.0000000 3.7161892 0.0000000 0.0000000 0.0000000 3.3000209-------------------------- Born effective charges -------------------------- 1 Li 1.0843194 -0.0000000 0.0000000 -0.0000000 1.0843194 0.0000000 0.0000000 0.0000000 1.4378098 2 Li 1.0843194 -0.0000000 0.0000000 -0.0000000 1.0843194 0.0000000 0.0000000 0.0000000 1.4378098 3 Ag 1.1700861 -0.0000000 0.0000000 -0.0000000 1.1700861 0.0000000 0.0000000 0.0000000 1.3970928 4 Ag 1.1700861 -0.0000000 0.0000000 -0.0000000 1.1700861 0.0000000 0.0000000 0.0000000 1.3970928 5 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513 6 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513 7 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513 8 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 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: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 22:59:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 22:59:46]-------------------------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 1]Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.936387478685992 0.000000000000000 0.000000000000000 b -1.468193739342996 2.542986151896606 0.000000000000000 c 0.000000000000000 0.000000000000000 11.491906040000000Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 Ag 0.33333333333333 0.66666666666667 0.75000000000000 107.868 4 Ag 0.66666666666667 0.33333333333333 0.25000000000000 107.868 5 F 0.66666666666667 0.33333333333333 0.90476745879492 18.998 6 F 0.33333333333333 0.66666666666667 0.40476745879492 18.998 7 F 0.33333333333333 0.66666666666667 0.09523254120508 18.998 8 F 0.66666666666667 0.33333333333333 0.59523254120508 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 11.745549914743968 0.000000000000000 0.000000000000000 b -5.872774957371984 10.171944607586424 0.000000000000000 c 0.000000000000000 0.000000000000000 11.491906040000000Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 6 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 7 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 1 8 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 9 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.25000000000000 0.50000000000000 0.00000000000000 6.941 > 1 11 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 12 Li 0.75000000000000 0.50000000000000 0.00000000000000 6.941 > 1 13 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 14 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 15 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 1 16 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 17 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 17 18 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 17 19 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 17 20 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 17 21 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 17 22 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 17 23 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 17 24 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 17 25 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 17 26 Li 0.25000000000000 0.50000000000000 0.50000000000000 6.941 > 17 27 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 17 28 Li 0.75000000000000 0.50000000000000 0.50000000000000 6.941 > 17 29 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 17 30 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 17 31 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 17 32 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 17 33 Ag 0.08333333333333 0.16666666666667 0.75000000000000 107.868 > 33 34 Ag 0.33333333333333 0.16666666666667 0.75000000000000 107.868 > 33 35 Ag 0.58333333333333 0.16666666666667 0.75000000000000 107.868 > 33 36 Ag 0.83333333333333 0.16666666666667 0.75000000000000 107.868 > 33 37 Ag 0.08333333333333 0.41666666666667 0.75000000000000 107.868 > 33 38 Ag 0.33333333333333 0.41666666666667 0.75000000000000 107.868 > 33 39 Ag 0.58333333333333 0.41666666666667 0.75000000000000 107.868 > 33 40 Ag 0.83333333333333 0.41666666666667 0.75000000000000 107.868 > 33 41 Ag 0.08333333333333 0.66666666666667 0.75000000000000 107.868 > 33 42 Ag 0.33333333333333 0.66666666666667 0.75000000000000 107.868 > 33 43 Ag 0.58333333333333 0.66666666666667 0.75000000000000 107.868 > 33 44 Ag 0.83333333333333 0.66666666666667 0.75000000000000 107.868 > 33 45 Ag 0.08333333333333 0.91666666666667 0.75000000000000 107.868 > 33 46 Ag 0.33333333333333 0.91666666666667 0.75000000000000 107.868 > 33 47 Ag 0.58333333333333 0.91666666666667 0.75000000000000 107.868 > 33 48 Ag 0.83333333333333 0.91666666666667 0.75000000000000 107.868 > 33 49 Ag 0.16666666666667 0.08333333333333 0.25000000000000 107.868 > 49 50 Ag 0.41666666666667 0.08333333333333 0.25000000000000 107.868 > 49 51 Ag 0.66666666666667 0.08333333333333 0.25000000000000 107.868 > 49 52 Ag 0.91666666666667 0.08333333333333 0.25000000000000 107.868 > 49 53 Ag 0.16666666666667 0.33333333333333 0.25000000000000 107.868 > 49 54 Ag 0.41666666666667 0.33333333333333 0.25000000000000 107.868 > 49 55 Ag 0.66666666666667 0.33333333333333 0.25000000000000 107.868 > 49 56 Ag 0.91666666666667 0.33333333333333 0.25000000000000 107.868 > 49 57 Ag 0.16666666666667 0.58333333333333 0.25000000000000 107.868 > 49 58 Ag 0.41666666666667 0.58333333333333 0.25000000000000 107.868 > 49 59 Ag 0.66666666666667 0.58333333333333 0.25000000000000 107.868 > 49 60 Ag 0.91666666666667 0.58333333333333 0.25000000000000 107.868 > 49 61 Ag 0.16666666666667 0.83333333333333 0.25000000000000 107.868 > 49 62 Ag 0.41666666666667 0.83333333333333 0.25000000000000 107.868 > 49 63 Ag 0.66666666666667 0.83333333333333 0.25000000000000 107.868 > 49 64 Ag 0.91666666666667 0.83333333333333 0.25000000000000 107.868 > 49 65 F 0.16666666666667 0.08333333333333 0.90476745879492 18.998 > 65 66 F 0.41666666666667 0.08333333333333 0.90476745879492 18.998 > 65 67 F 0.66666666666667 0.08333333333333 0.90476745879492 18.998 > 65 68 F 0.91666666666667 0.08333333333333 0.90476745879492 18.998 > 65 69 F 0.16666666666667 0.33333333333333 0.90476745879492 18.998 > 65 70 F 0.41666666666667 0.33333333333333 0.90476745879492 18.998 > 65 71 F 0.66666666666667 0.33333333333333 0.90476745879492 18.998 > 65 72 F 0.91666666666667 0.33333333333333 0.90476745879492 18.998 > 65 73 F 0.16666666666667 0.58333333333333 0.90476745879492 18.998 > 65 74 F 0.41666666666667 0.58333333333333 0.90476745879492 18.998 > 65 75 F 0.66666666666667 0.58333333333333 0.90476745879492 18.998 > 65 76 F 0.91666666666667 0.58333333333333 0.90476745879492 18.998 > 65 77 F 0.16666666666667 0.83333333333333 0.90476745879492 18.998 > 65 78 F 0.41666666666667 0.83333333333333 0.90476745879492 18.998 > 65 79 F 0.66666666666667 0.83333333333333 0.90476745879492 18.998 > 65 80 F 0.91666666666667 0.83333333333333 0.90476745879492 18.998 > 65 81 F 0.08333333333333 0.16666666666667 0.40476745879492 18.998 > 81 82 F 0.33333333333333 0.16666666666667 0.40476745879492 18.998 > 81 83 F 0.58333333333333 0.16666666666667 0.40476745879492 18.998 > 81 84 F 0.83333333333333 0.16666666666667 0.40476745879492 18.998 > 81 85 F 0.08333333333333 0.41666666666667 0.40476745879492 18.998 > 81 86 F 0.33333333333333 0.41666666666667 0.40476745879492 18.998 > 81 87 F 0.58333333333333 0.41666666666667 0.40476745879492 18.998 > 81 88 F 0.83333333333333 0.41666666666667 0.40476745879492 18.998 > 81 89 F 0.08333333333333 0.66666666666667 0.40476745879492 18.998 > 81 90 F 0.33333333333333 0.66666666666667 0.40476745879492 18.998 > 81 91 F 0.58333333333333 0.66666666666667 0.40476745879492 18.998 > 81 92 F 0.83333333333333 0.66666666666667 0.40476745879492 18.998 > 81 93 F 0.08333333333333 0.91666666666667 0.40476745879492 18.998 > 81 94 F 0.33333333333333 0.91666666666667 0.40476745879492 18.998 > 81 95 F 0.58333333333333 0.91666666666667 0.40476745879492 18.998 > 81 96 F 0.83333333333333 0.91666666666667 0.40476745879492 18.998 > 81 97 F 0.08333333333333 0.16666666666667 0.09523254120508 18.998 > 97 98 F 0.33333333333333 0.16666666666667 0.09523254120508 18.998 > 97 99 F 0.58333333333333 0.16666666666667 0.09523254120508 18.998 > 97 100 F 0.83333333333333 0.16666666666667 0.09523254120508 18.998 > 97 101 F 0.08333333333333 0.41666666666667 0.09523254120508 18.998 > 97 102 F 0.33333333333333 0.41666666666667 0.09523254120508 18.998 > 97 103 F 0.58333333333333 0.41666666666667 0.09523254120508 18.998 > 97 104 F 0.83333333333333 0.41666666666667 0.09523254120508 18.998 > 97 105 F 0.08333333333333 0.66666666666667 0.09523254120508 18.998 > 97 106 F 0.33333333333333 0.66666666666667 0.09523254120508 18.998 > 97 107 F 0.58333333333333 0.66666666666667 0.09523254120508 18.998 > 97 108 F 0.83333333333333 0.66666666666667 0.09523254120508 18.998 > 97 109 F 0.08333333333333 0.91666666666667 0.09523254120508 18.998 > 97 110 F 0.33333333333333 0.91666666666667 0.09523254120508 18.998 > 97 111 F 0.58333333333333 0.91666666666667 0.09523254120508 18.998 > 97 112 F 0.83333333333333 0.91666666666667 0.09523254120508 18.998 > 97 113 F 0.16666666666667 0.08333333333333 0.59523254120508 18.998 > 113 114 F 0.41666666666667 0.08333333333333 0.59523254120508 18.998 > 113 115 F 0.66666666666667 0.08333333333333 0.59523254120508 18.998 > 113 116 F 0.91666666666667 0.08333333333333 0.59523254120508 18.998 > 113 117 F 0.16666666666667 0.33333333333333 0.59523254120508 18.998 > 113 118 F 0.41666666666667 0.33333333333333 0.59523254120508 18.998 > 113 119 F 0.66666666666667 0.33333333333333 0.59523254120508 18.998 > 113 120 F 0.91666666666667 0.33333333333333 0.59523254120508 18.998 > 113 121 F 0.16666666666667 0.58333333333333 0.59523254120508 18.998 > 113 122 F 0.41666666666667 0.58333333333333 0.59523254120508 18.998 > 113 123 F 0.66666666666667 0.58333333333333 0.59523254120508 18.998 > 113 124 F 0.91666666666667 0.58333333333333 0.59523254120508 18.998 > 113 125 F 0.16666666666667 0.83333333333333 0.59523254120508 18.998 > 113 126 F 0.41666666666667 0.83333333333333 0.59523254120508 18.998 > 113 127 F 0.66666666666667 0.83333333333333 0.59523254120508 18.998 > 113 128 F 0.91666666666667 0.83333333333333 0.59523254120508 18.998 > 113----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.7161892 -0.0000000 0.0000000 -0.0000000 3.7161892 0.0000000 0.0000000 0.0000000 3.3000209-------------------------- Born effective charges -------------------------- 1 Li 1.0843194 -0.0000000 0.0000000 -0.0000000 1.0843194 0.0000000 0.0000000 0.0000000 1.4378098 2 Li 1.0843194 -0.0000000 0.0000000 -0.0000000 1.0843194 0.0000000 0.0000000 0.0000000 1.4378098 3 Ag 1.1700861 -0.0000000 0.0000000 -0.0000000 1.1700861 0.0000000 0.0000000 0.0000000 1.3970928 4 Ag 1.1700861 -0.0000000 0.0000000 -0.0000000 1.1700861 0.0000000 0.0000000 0.0000000 1.3970928 5 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513 6 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513 7 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513 8 F -1.1272028 0.0000000 0.0000000 0.0000000 -1.1272028 0.0000000 0.0000000 0.0000000 -1.4174513----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 20 20 4 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.94, Number of G-points: 291, Lambda: 0.19Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/132) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132Calculating 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 0.654 ( 0.000 0.000 0.000) 0.000 0.654 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.715 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 11.216 ( 0.000 0.000 0.000) 0.000 11.876 ( 0.000 0.000 0.000) 0.000 12.493 ( 0.000 0.000 0.000) 0.000 16.954 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/132) =======================q-point: ( 0.05 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.192 ( 10.486 6.054 0.000) 12.108 0.457 ( 19.379 11.188 0.000) 22.376 0.849 ( 35.316 20.389 0.000) 40.779 0.927 ( 20.297 11.719 0.000) 23.437 1.268 ( 2.576 1.487 0.000) 2.975 1.367 ( 10.416 6.013 0.000) 12.027 1.479 ( 50.820 29.341 0.000) 58.682 2.539 ( 6.888 3.977 0.000) 7.954 3.375 ( -2.220 -1.282 0.000) 2.564 3.612 ( 14.948 8.630 0.000) 17.260 4.534 ( 1.840 1.062 0.000) 2.125 4.644 ( 11.104 6.411 0.000) 12.822 5.051 ( 2.413 1.393 0.000) 2.786 5.128 ( 8.926 5.154 0.000) 10.307 7.170 ( 0.081 0.046 0.000) 0.093 7.717 ( 0.290 0.168 0.000) 0.335 8.759 ( 1.132 0.654 0.000) 1.307 8.822 ( 1.239 0.715 0.000) 1.431 8.847 ( 7.924 4.575 0.000) 9.149 11.098 ( -9.617 -5.552 0.000) 11.105 11.974 ( 8.230 4.752 0.000) 9.503 12.401 ( -7.964 -4.598 0.000) 9.196 12.718 ( 7.435 4.292 0.000) 8.585 16.528 ( -35.993 -20.780 0.000) 41.561======================= Grid point 2 (3/132) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.486 ( 15.181 8.765 0.000) 17.530 0.867 ( 16.489 9.520 0.000) 19.040 1.354 ( 4.924 2.843 0.000) 5.686 1.451 ( 24.534 14.165 0.000) 28.330 1.566 ( 26.740 15.438 0.000) 30.877 1.661 ( 15.081 8.707 0.000) 17.414 2.574 ( 39.150 22.603 0.000) 45.206 2.767 ( 12.989 7.499 0.000) 14.999 3.383 ( 8.148 4.705 0.000) 9.409 4.106 ( 27.901 16.109 0.000) 32.217 4.593 ( 3.285 1.897 0.000) 3.793 4.980 ( 17.525 10.118 0.000) 20.236 5.129 ( 4.363 2.519 0.000) 5.038 5.401 ( 14.304 8.258 0.000) 16.517 7.181 ( 1.140 0.658 0.000) 1.317 7.738 ( 1.809 1.044 0.000) 2.089 8.797 ( 2.229 1.287 0.000) 2.574 8.863 ( 2.324 1.342 0.000) 2.684 9.047 ( 8.451 4.879 0.000) 9.759 10.819 ( -14.275 -8.241 0.000) 16.483 12.131 ( -13.321 -7.691 0.000) 15.382 12.229 ( 11.240 6.489 0.000) 12.979 12.922 ( 9.743 5.625 0.000) 11.250 15.437 ( -57.026 -32.924 0.000) 65.848======================= Grid point 3 (4/132) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( 17.794 10.273 0.000) 20.546 1.203 ( 13.210 7.627 0.000) 15.254 1.486 ( 6.541 3.777 0.000) 7.553 1.951 ( 12.497 7.215 0.000) 14.430 2.010 ( 24.293 14.025 0.000) 28.051 2.129 ( 20.584 11.884 0.000) 23.768 2.925 ( -0.729 -0.421 0.000) 0.841 3.115 ( 17.241 9.954 0.000) 19.909 4.056 ( 43.424 25.071 0.000) 50.142 4.678 ( 4.102 2.368 0.000) 4.737 4.836 ( 35.290 20.375 0.000) 40.750 5.243 ( 5.552 3.205 0.000) 6.410 5.390 ( 17.472 10.088 0.000) 20.175 5.742 ( 15.074 8.703 0.000) 17.405 7.239 ( 4.557 2.631 0.000) 5.263 7.814 ( 5.249 3.031 0.000) 6.061 8.859 ( 3.193 1.843 0.000) 3.687 8.926 ( 3.151 1.819 0.000) 3.638 9.194 ( 4.084 2.358 0.000) 4.716 10.474 ( -15.775 -9.108 0.000) 18.215 11.738 ( -19.778 -11.419 0.000) 22.838 12.523 ( 12.871 7.431 0.000) 14.863 13.121 ( 6.008 3.469 0.000) 6.937 14.082 ( -58.487 -33.768 0.000) 67.535======================= Grid point 4 (5/132) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.279 ( 18.467 10.662 0.000) 21.324 1.471 ( 10.519 6.073 0.000) 12.146 1.643 ( 7.108 4.104 0.000) 8.208 2.196 ( 9.098 5.253 0.000) 10.505 2.535 ( 15.442 8.915 0.000) 17.830 2.544 ( 22.630 13.065 0.000) 26.131 2.843 ( -4.826 -2.786 0.000) 5.572 3.532 ( 19.079 11.015 0.000) 22.031 4.774 ( 4.273 2.467 0.000) 4.934 5.033 ( 39.864 23.015 0.000) 46.031 5.375 ( 5.888 3.400 0.000) 6.799 5.654 ( 35.343 20.405 0.000) 40.810 5.741 ( 13.720 7.921 0.000) 15.843 6.070 ( 14.131 8.158 0.000) 16.317 7.410 ( 10.792 6.231 0.000) 12.462 7.984 ( 9.678 5.588 0.000) 11.176 8.940 ( 3.863 2.230 0.000) 4.461 9.004 ( 3.662 2.114 0.000) 4.229 9.224 ( -1.385 -0.800 0.000) 1.600 10.114 ( -15.773 -9.106 0.000) 18.213 11.256 ( -22.238 -12.839 0.000) 25.679 12.608 ( -51.777 -29.893 0.000) 59.787 12.794 ( 10.877 6.280 0.000) 12.560 13.438 ( 3.395 1.960 0.000) 3.920======================= Grid point 5 (6/132) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 8.478 4.895 0.000) 9.789 1.692 ( 17.680 10.207 0.000) 20.415 1.802 ( 6.722 3.881 0.000) 7.762 2.369 ( 6.415 3.704 0.000) 7.408 2.735 ( -4.447 -2.568 0.000) 5.135 2.838 ( 11.372 6.566 0.000) 13.132 3.032 ( 20.273 11.704 0.000) 23.409 3.965 ( 18.825 10.868 0.000) 21.737 4.868 ( 3.921 2.264 0.000) 4.528 5.505 ( 5.443 3.143 0.000) 6.285 5.676 ( 12.480 7.206 0.000) 14.411 6.159 ( 27.180 15.692 0.000) 31.384 6.250 ( 13.894 8.021 0.000) 16.043 6.541 ( 30.099 17.378 0.000) 34.755 7.724 ( 16.346 9.438 0.000) 18.875 8.243 ( 12.790 7.384 0.000) 14.769 9.031 ( 4.090 2.361 0.000) 4.723 9.090 ( 3.823 2.207 0.000) 4.414 9.136 ( -6.198 -3.578 0.000) 7.157 9.766 ( -14.679 -8.475 0.000) 16.950 10.748 ( -22.067 -12.740 0.000) 25.480 11.481 ( -45.163 -26.075 0.000) 52.150 13.017 ( 8.832 5.099 0.000) 10.198 13.558 ( 5.237 3.023 0.000) 6.047======================= Grid point 6 (7/132) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 6.789 3.919 0.000) 7.839 1.944 ( 5.697 3.289 0.000) 6.578 2.072 ( 15.611 9.013 0.000) 18.026 2.501 ( 5.494 3.172 0.000) 6.343 2.648 ( -3.073 -1.774 0.000) 3.548 3.056 ( 7.833 4.522 0.000) 9.045 3.461 ( 17.422 10.059 0.000) 20.117 4.375 ( 17.076 9.859 0.000) 19.718 4.949 ( 3.204 1.850 0.000) 3.699 5.617 ( 4.370 2.523 0.000) 5.047 5.780 ( 0.548 0.316 0.000) 0.633 6.499 ( 9.704 5.603 0.000) 11.205 6.798 ( 25.441 14.688 0.000) 29.377 7.200 ( 25.574 14.765 0.000) 29.530 8.121 ( 17.786 10.269 0.000) 20.537 8.548 ( 13.759 7.944 0.000) 15.887 8.961 ( -8.546 -4.934 0.000) 9.868 9.122 ( 3.818 2.205 0.000) 4.409 9.175 ( 3.616 2.088 0.000) 4.176 9.460 ( -11.893 -6.866 0.000) 13.733 10.273 ( -19.326 -11.158 0.000) 22.315 10.589 ( -33.253 -19.199 0.000) 38.397 13.198 ( 7.236 4.178 0.000) 8.355 13.655 ( 3.214 1.855 0.000) 3.711======================= Grid point 7 (8/132) =======================q-point: ( 0.35 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 5.190 2.996 0.000) 5.993 2.058 ( 4.346 2.509 0.000) 5.018 2.391 ( 12.259 7.078 0.000) 14.156 2.597 ( -1.361 -0.786 0.000) 1.571 2.630 ( 6.007 3.468 0.000) 6.937 3.196 ( 4.495 2.595 0.000) 5.191 3.819 ( 14.079 8.129 0.000) 16.257 4.733 ( 14.282 8.246 0.000) 16.492 5.012 ( 2.259 1.304 0.000) 2.608 5.700 ( 2.880 1.663 0.000) 3.326 5.770 ( -0.742 -0.428 0.000) 0.857 6.711 ( 9.067 5.235 0.000) 10.469 7.247 ( 13.456 7.769 0.000) 15.537 7.644 ( 12.701 7.333 0.000) 14.666 8.461 ( 8.508 4.912 0.000) 9.825 8.821 ( 0.092 0.053 0.000) 0.106 8.861 ( 13.600 7.852 0.000) 15.704 9.201 ( 3.122 1.803 0.000) 3.605 9.246 ( -6.576 -3.797 0.000) 7.594 9.251 ( 3.064 1.769 0.000) 3.538 9.888 ( -14.258 -8.232 0.000) 16.463 9.972 ( -21.096 -12.180 0.000) 24.360 13.346 ( 5.784 3.339 0.000) 6.678 13.705 ( 1.237 0.714 0.000) 1.428======================= Grid point 8 (9/132) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.094 ( 3.538 2.043 0.000) 4.086 2.140 ( 2.885 1.666 0.000) 3.331 2.577 ( 0.568 0.328 0.000) 0.656 2.629 ( 7.440 4.296 0.000) 8.591 2.774 ( 6.525 3.767 0.000) 7.534 3.261 ( 1.330 0.768 0.000) 1.536 4.095 ( 10.129 5.848 0.000) 11.696 5.017 ( 10.635 6.140 0.000) 12.281 5.052 ( 1.255 0.724 0.000) 1.449 5.747 ( 1.281 0.739 0.000) 1.479 5.766 ( 0.537 0.310 0.000) 0.620 6.909 ( 8.250 4.763 0.000) 9.526 7.405 ( 1.043 0.602 0.000) 1.204 7.776 ( 0.013 0.007 0.000) 0.015 8.455 ( -3.973 -2.294 0.000) 4.588 9.022 ( 12.345 7.128 0.000) 14.255 9.092 ( 0.608 0.351 0.000) 0.702 9.209 ( 8.046 4.645 0.000) 9.290 9.262 ( 2.160 1.247 0.000) 2.495 9.312 ( 2.221 1.282 0.000) 2.564 9.631 ( -9.072 -5.238 0.000) 10.476 9.636 ( -7.961 -4.596 0.000) 9.193 13.459 ( 4.132 2.385 0.000) 4.771 13.717 ( -0.064 -0.037 0.000) 0.074======================= Grid point 9 (10/132) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.155 ( 1.798 1.038 0.000) 2.076 2.189 ( 1.428 0.824 0.000) 1.649 2.586 ( 0.448 0.259 0.000) 0.518 2.759 ( 3.715 2.145 0.000) 4.290 2.913 ( 5.290 3.054 0.000) 6.109 3.262 ( -0.951 -0.549 0.000) 1.098 4.273 ( 5.410 3.124 0.000) 6.247 5.070 ( 0.451 0.260 0.000) 0.521 5.208 ( 5.960 3.441 0.000) 6.882 5.762 ( 0.132 0.076 0.000) 0.152 5.792 ( 1.435 0.828 0.000) 1.656 7.075 ( 5.992 3.460 0.000) 6.919 7.355 ( -3.705 -2.139 0.000) 4.278 7.714 ( -3.969 -2.292 0.000) 4.583 8.382 ( -2.173 -1.255 0.000) 2.510 9.028 ( -3.229 -1.864 0.000) 3.729 9.257 ( 7.537 4.352 0.000) 8.703 9.299 ( 1.090 0.629 0.000) 1.259 9.350 ( 1.167 0.674 0.000) 1.347 9.421 ( 7.415 4.281 0.000) 8.563 9.517 ( -2.933 -1.693 0.000) 3.386 9.527 ( -1.360 -0.785 0.000) 1.570 13.532 ( 2.170 1.253 0.000) 2.505 13.709 ( -0.404 -0.233 0.000) 0.467======================= Grid point 10 (11/132) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.175 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 7.151 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.311 ( 0.000 0.000 0.000) 0.000 9.345 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.508 ( -0.000 -0.000 0.000) 0.000 9.518 ( 0.000 0.000 0.000) 0.000 13.556 ( 0.000 0.000 0.000) 0.000 13.704 ( 0.000 0.000 0.000) 0.000======================= Grid point 22 (12/132) =======================q-point: ( 0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.393 ( 8.057 13.955 0.000) 16.113 0.778 ( 10.535 18.246 0.000) 21.069 1.310 ( 6.541 11.329 0.000) 13.082 1.314 ( 14.387 24.919 0.000) 28.774 1.427 ( 13.637 23.620 0.000) 27.275 1.546 ( 7.149 12.383 0.000) 14.299 2.305 ( 26.688 46.224 0.000) 53.375 2.700 ( 7.040 12.193 0.000) 14.079 3.356 ( 0.937 1.624 0.000) 1.875 3.941 ( 14.092 24.408 0.000) 28.184 4.581 ( 2.093 3.625 0.000) 4.186 4.870 ( 9.143 15.836 0.000) 18.286 5.119 ( 2.796 4.844 0.000) 5.593 5.303 ( 7.233 12.528 0.000) 14.466 7.175 ( 0.358 0.620 0.000) 0.716 7.728 ( 0.663 1.148 0.000) 1.326 8.787 ( 1.254 2.171 0.000) 2.507 8.852 ( 1.309 2.267 0.000) 2.618 8.992 ( 5.121 8.870 0.000) 10.242 10.903 ( -7.763 -13.446 0.000) 15.527 12.145 ( 6.898 11.947 0.000) 13.796 12.225 ( -7.571 -13.114 0.000) 15.142 12.863 ( 5.531 9.581 0.000) 11.063 15.773 ( -30.773 -53.300 0.000) 61.546======================= Grid point 23 (13/132) =======================q-point: ( 0.10 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( 13.132 14.687 0.000) 19.701 1.118 ( 10.048 14.544 0.000) 17.677 1.452 ( 4.117 6.796 0.000) 7.946 1.817 ( 11.177 9.546 0.000) 14.698 1.839 ( 18.071 23.836 0.000) 29.912 1.948 ( 17.365 19.219 0.000) 25.903 2.900 ( 5.537 5.783 0.000) 8.006 3.004 ( 11.766 16.241 0.000) 20.055 3.718 ( 28.404 32.039 0.000) 42.817 4.544 ( 25.502 27.812 0.000) 37.734 4.669 ( 2.634 5.754 0.000) 6.328 5.227 ( 14.126 14.099 0.000) 19.958 5.231 ( 3.150 7.354 0.000) 8.000 5.595 ( 12.349 11.188 0.000) 16.664 7.206 ( 2.202 2.128 0.000) 3.062 7.774 ( 2.855 2.886 0.000) 4.059 8.843 ( 2.118 3.429 0.000) 4.030 8.910 ( 2.132 3.348 0.000) 3.969 9.149 ( 4.545 4.797 0.000) 6.608 10.599 ( -11.692 -13.528 0.000) 17.881 11.896 ( -13.981 -15.579 0.000) 20.932 12.411 ( 10.130 10.945 0.000) 14.914 13.063 ( 6.796 8.133 0.000) 10.599 14.559 ( -46.073 -53.811 0.000) 70.841======================= Grid point 24 (14/132) =======================q-point: ( 0.15 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 15.515 14.558 0.000) 21.276 1.402 ( 8.202 11.773 0.000) 14.349 1.600 ( 4.858 7.479 0.000) 8.918 2.081 ( 10.310 6.142 0.000) 12.001 2.376 ( 17.957 22.361 0.000) 28.679 2.378 ( 14.781 12.817 0.000) 19.564 2.881 ( -3.378 -3.664 0.000) 4.984 3.402 ( 14.127 18.781 0.000) 23.501 4.649 ( 36.544 33.859 0.000) 49.818 4.777 ( 2.148 7.717 0.000) 8.010 5.303 ( 28.216 24.481 0.000) 37.356 5.373 ( 6.082 11.572 0.000) 13.073 5.585 ( 13.605 9.161 0.000) 16.402 5.914 ( 13.265 8.597 0.000) 15.807 7.312 ( 6.896 4.907 0.000) 8.463 7.894 ( 6.786 5.059 0.000) 8.465 8.924 ( 2.537 4.850 0.000) 5.474 8.988 ( 2.481 4.512 0.000) 5.149 9.222 ( 0.885 0.134 0.000) 0.895 10.255 ( -13.220 -12.787 0.000) 18.393 11.459 ( -18.207 -16.642 0.000) 24.667 12.681 ( 10.107 8.208 0.000) 13.020 13.076 ( -31.342 -21.854 0.000) 38.209 13.409 ( -10.725 -19.349 0.000) 22.123======================= Grid point 25 (15/132) =======================q-point: ( 0.20 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( 15.981 13.728 0.000) 21.067 1.633 ( 6.524 9.914 0.000) 11.868 1.758 ( 4.962 7.435 0.000) 8.938 2.284 ( 7.828 3.848 0.000) 8.723 2.710 ( 11.977 8.503 0.000) 14.688 2.772 ( -3.458 -3.492 0.000) 4.914 2.886 ( 15.830 20.314 0.000) 25.754 3.837 ( 14.383 19.637 0.000) 24.341 4.888 ( 1.023 9.137 0.000) 9.195 5.501 ( 24.378 22.634 0.000) 33.265 5.504 ( 2.567 9.572 0.000) 9.910 5.895 ( 17.689 8.716 0.000) 19.719 6.063 ( 23.322 18.770 0.000) 29.937 6.246 ( 20.269 11.593 0.000) 23.351 7.549 ( 13.467 7.622 0.000) 15.474 8.104 ( 10.982 6.364 0.000) 12.693 9.021 ( 2.339 5.957 0.000) 6.400 9.080 ( 2.368 5.642 0.000) 6.119 9.182 ( -3.389 -3.575 0.000) 4.926 9.907 ( -13.318 -11.669 0.000) 17.706 10.968 ( -19.994 -16.124 0.000) 25.685 11.957 ( -44.919 -34.984 0.000) 56.935 12.911 ( 9.085 5.311 0.000) 10.523 13.470 ( 7.048 1.017 0.000) 7.121======================= Grid point 26 (16/132) =======================q-point: ( 0.25 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 5.012 8.645 0.000) 9.993 1.909 ( 4.296 6.918 0.000) 8.144 1.915 ( 14.967 12.224 0.000) 19.325 2.433 ( 6.125 2.994 0.000) 6.818 2.677 ( -3.132 -3.147 0.000) 4.440 2.957 ( 9.174 5.402 0.000) 10.646 3.339 ( 14.024 18.988 0.000) 23.606 4.264 ( 13.072 19.152 0.000) 23.188 4.988 ( -0.401 9.869 0.000) 9.878 5.632 ( 1.308 9.712 0.000) 9.800 5.782 ( 1.843 4.003 0.000) 4.407 6.393 ( 9.947 6.777 0.000) 12.036 6.489 ( 28.641 17.202 0.000) 33.409 6.891 ( 28.528 17.528 0.000) 33.482 7.901 ( 17.948 8.298 0.000) 19.774 8.379 ( 13.656 6.198 0.000) 14.997 9.027 ( -6.086 -6.259 0.000) 8.730 9.136 ( 0.970 7.117 0.000) 7.183 9.176 ( 1.790 6.571 0.000) 6.811 9.582 ( -11.965 -9.986 0.000) 15.585 10.480 ( -19.232 -14.160 0.000) 23.883 10.967 ( -36.042 -25.450 0.000) 44.122 13.098 ( 8.214 2.876 0.000) 8.703 13.581 ( 5.657 -0.809 0.000) 5.715======================= Grid point 27 (17/132) =======================q-point: ( 0.30 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 3.521 7.634 0.000) 8.407 2.037 ( 3.149 6.195 0.000) 6.949 2.261 ( 12.636 9.965 0.000) 16.092 2.564 ( 5.846 3.430 0.000) 6.778 2.610 ( -1.692 -2.017 0.000) 2.633 3.130 ( 6.281 2.968 0.000) 6.947 3.732 ( 11.159 17.082 0.000) 20.404 4.650 ( 10.707 17.710 0.000) 20.695 5.066 ( -1.845 9.793 0.000) 9.965 5.735 ( -0.320 9.345 0.000) 9.350 5.801 ( -1.622 2.035 0.000) 2.602 6.615 ( 8.954 6.237 0.000) 10.912 7.050 ( 19.706 10.681 0.000) 22.415 7.451 ( 19.600 10.455 0.000) 22.214 8.286 ( 17.069 6.248 0.000) 18.176 8.680 ( 14.804 5.511 0.000) 15.796 8.845 ( -5.618 -6.270 0.000) 8.419 9.229 ( 0.340 8.418 0.000) 8.425 9.258 ( -0.654 4.072 0.000) 4.124 9.329 ( -6.771 -4.145 0.000) 7.939 10.052 ( -15.962 -11.024 0.000) 19.399 10.236 ( -25.762 -16.094 0.000) 30.376 13.249 ( 7.545 0.777 0.000) 7.585 13.645 ( 4.105 -3.001 0.000) 5.085======================= Grid point 28 (18/132) =======================q-point: ( 0.35 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.092 ( 1.945 6.692 0.000) 6.969 2.136 ( 1.744 5.475 0.000) 5.746 2.529 ( 8.530 6.476 0.000) 10.710 2.582 ( 0.439 -0.411 0.000) 0.601 2.704 ( 6.252 4.190 0.000) 7.526 3.230 ( 3.253 0.931 0.000) 3.383 4.051 ( 7.641 15.175 0.000) 16.990 4.971 ( 7.570 15.609 0.000) 17.348 5.117 ( -3.025 8.977 0.000) 9.473 5.795 ( -1.687 3.323 0.000) 3.726 5.803 ( -2.123 8.660 0.000) 8.917 6.823 ( 8.251 6.179 0.000) 10.308 7.344 ( 7.351 1.966 0.000) 7.610 7.730 ( 6.270 1.541 0.000) 6.456 8.465 ( 0.266 -3.320 0.000) 3.330 8.863 ( 11.506 3.516 0.000) 12.031 8.978 ( 13.188 3.791 0.000) 13.722 9.164 ( -1.423 -3.462 0.000) 3.743 9.307 ( -1.110 8.669 0.000) 8.740 9.357 ( -0.556 7.910 0.000) 7.930 9.734 ( -10.562 -7.249 0.000) 12.811 9.770 ( -15.153 -7.975 0.000) 17.123 13.369 ( 6.759 -1.200 0.000) 6.865 13.666 ( 2.976 -4.817 0.000) 5.662======================= Grid point 29 (19/132) =======================q-point: ( 0.40 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.172 ( 0.247 5.744 0.000) 5.749 2.204 ( 0.209 4.771 0.000) 4.776 2.576 ( 0.680 -0.232 0.000) 0.718 2.711 ( 5.204 3.773 0.000) 6.428 2.853 ( 5.944 4.214 0.000) 7.286 3.261 ( 0.413 -0.705 0.000) 0.817 4.285 ( 3.187 13.195 0.000) 13.574 5.141 ( -3.742 7.931 0.000) 8.769 5.208 ( 3.618 12.990 0.000) 13.485 5.815 ( -0.910 4.983 0.000) 5.065 5.834 ( -3.712 7.946 0.000) 8.771 7.012 ( 6.787 5.798 0.000) 8.927 7.367 ( -1.416 -4.286 0.000) 4.514 7.737 ( -2.152 -3.669 0.000) 4.254 8.399 ( -1.919 -2.881 0.000) 3.462 9.041 ( -1.231 -3.843 0.000) 4.035 9.126 ( 12.034 3.277 0.000) 12.472 9.296 ( 10.729 3.115 0.000) 11.172 9.360 ( -2.572 8.548 0.000) 8.926 9.416 ( -1.975 8.499 0.000) 8.725 9.552 ( -4.699 -3.915 0.000) 6.116 9.555 ( -4.810 -2.466 0.000) 5.406 13.454 ( 5.607 -3.074 0.000) 6.394 13.659 ( 2.637 -5.907 0.000) 6.469======================= Grid point 30 (20/132) =======================q-point: ( 0.45 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( -1.545 4.763 0.000) 5.008 2.237 ( -1.324 4.001 0.000) 4.214 2.586 ( 0.549 -0.228 0.000) 0.595 2.792 ( 1.601 1.139 0.000) 1.965 2.969 ( 2.912 2.491 0.000) 3.833 3.243 ( -0.634 -1.243 0.000) 1.396 4.411 ( -2.308 10.674 0.000) 10.920 5.149 ( -4.041 7.271 0.000) 8.319 5.340 ( -1.557 9.772 0.000) 9.895 5.839 ( -4.442 7.628 0.000) 8.827 5.849 ( -1.581 5.144 0.000) 5.382 7.149 ( 2.625 4.130 0.000) 4.893 7.288 ( -0.839 -4.553 0.000) 4.629 7.652 ( -1.659 -3.896 0.000) 4.234 8.359 ( -0.609 -0.945 0.000) 1.124 8.986 ( -0.821 -2.110 0.000) 2.264 9.291 ( 5.326 -0.698 0.000) 5.371 9.389 ( -3.702 8.229 0.000) 9.023 9.416 ( -0.411 3.538 0.000) 3.562 9.481 ( -0.710 -1.942 0.000) 2.068 9.482 ( 1.723 4.130 0.000) 4.475 9.511 ( 0.106 -0.968 0.000) 0.974 13.498 ( 4.014 -4.678 0.000) 6.164 13.647 ( 3.094 -6.141 0.000) 6.876======================= Grid point 43 (21/132) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( 10.597 18.355 0.000) 21.194 1.397 ( 7.677 13.297 0.000) 15.354 1.603 ( 4.749 8.226 0.000) 9.499 2.011 ( 5.802 10.050 0.000) 11.605 2.311 ( 9.921 17.184 0.000) 19.842 2.341 ( 15.205 26.336 0.000) 30.411 2.890 ( -2.290 -3.967 0.000) 4.581 3.382 ( 12.404 21.485 0.000) 24.809 4.498 ( 25.101 43.476 0.000) 50.202 4.808 ( 4.621 8.004 0.000) 9.243 5.167 ( 19.841 34.365 0.000) 39.682 5.400 ( 5.566 9.641 0.000) 11.132 5.504 ( 7.698 13.334 0.000) 15.397 5.830 ( 7.201 12.472 0.000) 14.402 7.277 ( 3.196 5.536 0.000) 6.392 7.860 ( 3.461 5.994 0.000) 6.921 8.930 ( 3.072 5.320 0.000) 6.143 8.992 ( 2.851 4.939 0.000) 5.703 9.212 ( 0.686 1.187 0.000) 1.371 10.306 ( -9.215 -15.960 0.000) 18.429 11.535 ( -11.989 -20.765 0.000) 23.977 12.632 ( 6.354 11.006 0.000) 12.708 13.224 ( 4.428 7.669 0.000) 8.855 13.420 ( -34.382 -59.552 0.000) 68.765======================= Grid point 44 (22/132) =======================q-point: ( 0.15 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( 12.817 17.144 0.000) 21.405 1.637 ( 6.207 11.603 0.000) 13.159 1.768 ( 4.334 9.334 0.000) 10.291 2.199 ( 6.765 5.979 0.000) 9.029 2.618 ( 9.647 11.386 0.000) 14.924 2.792 ( -3.028 -3.639 0.000) 4.734 2.855 ( 14.467 24.022 0.000) 28.041 3.826 ( 13.155 23.644 0.000) 27.057 4.971 ( 2.913 11.571 0.000) 11.931 5.344 ( 26.221 35.920 0.000) 44.472 5.571 ( 3.691 12.164 0.000) 12.712 5.734 ( 8.906 5.848 0.000) 10.654 5.885 ( 23.614 30.036 0.000) 38.207 6.079 ( 10.601 8.366 0.000) 13.504 7.437 ( 8.070 7.856 0.000) 11.262 8.013 ( 6.958 7.062 0.000) 9.914 9.048 ( 3.032 7.508 0.000) 8.097 9.100 ( 2.968 6.670 0.000) 7.300 9.189 ( -1.977 -3.664 0.000) 4.163 9.984 ( -10.711 -14.529 0.000) 18.050 11.097 ( -15.485 -19.831 0.000) 25.161 12.274 ( -37.282 -46.076 0.000) 59.271 12.832 ( 6.669 6.947 0.000) 9.630 13.368 ( 5.763 2.714 0.000) 6.370======================= Grid point 45 (23/132) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 606Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( 13.139 15.288 0.000) 20.158 1.838 ( 4.789 10.413 0.000) 11.461 1.929 ( 3.405 9.733 0.000) 10.312 2.358 ( 6.275 3.949 0.000) 7.414 2.694 ( -3.033 -4.024 0.000) 5.039 2.864 ( 8.540 7.093 0.000) 11.102 3.330 ( 12.747 23.820 0.000) 27.016 4.278 ( 11.720 24.393 0.000) 27.063 5.125 ( -0.157 14.555 0.000) 14.556 5.739 ( 0.984 13.923 0.000) 13.958 5.795 ( 2.697 6.348 0.000) 6.897 6.191 ( 27.751 22.029 0.000) 35.432 6.295 ( 9.542 7.468 0.000) 12.117 6.610 ( 26.206 22.487 0.000) 34.532 7.704 ( 13.725 8.134 0.000) 15.954 8.230 ( 10.425 6.406 0.000) 12.236 9.061 ( -5.318 -6.553 0.000) 8.439 9.190 ( 2.526 8.815 0.000) 9.170 9.219 ( 2.342 8.238 0.000) 8.564 9.665 ( -10.728 -12.723 0.000) 16.642 10.635 ( -16.709 -17.300 0.000) 24.051 11.279 ( -33.194 -32.977 0.000) 46.790 12.995 ( 6.682 3.123 0.000) 7.376 13.470 ( 5.294 -1.102 0.000) 5.407======================= Grid point 46 (24/132) =======================q-point: ( 0.25 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( 3.419 9.407 0.000) 10.009 2.072 ( 2.128 9.628 0.000) 9.860 2.162 ( 11.891 12.697 0.000) 17.395 2.499 ( 5.953 3.973 0.000) 7.157 2.617 ( -1.961 -2.828 0.000) 3.442 3.049 ( 6.855 3.867 0.000) 7.870 3.752 ( 10.091 22.269 0.000) 24.449 4.694 ( 9.103 23.805 0.000) 25.486 5.245 ( -3.442 15.730 0.000) 16.102 5.848 ( -0.211 3.082 0.000) 3.090 5.875 ( -1.495 14.543 0.000) 14.619 6.523 ( 9.396 6.552 0.000) 11.454 6.815 ( 21.950 15.559 0.000) 26.905 7.215 ( 21.737 15.285 0.000) 26.573 8.046 ( 17.259 6.450 0.000) 18.425 8.487 ( 13.139 4.862 0.000) 14.010 8.875 ( -6.502 -8.707 0.000) 10.866 9.321 ( 0.996 11.069 0.000) 11.114 9.326 ( -1.148 5.473 0.000) 5.592 9.390 ( -6.547 -6.610 0.000) 9.303 10.205 ( -15.636 -13.408 0.000) 20.597 10.509 ( -26.344 -20.407 0.000) 33.324 13.123 ( 6.863 -0.369 0.000) 6.873 13.525 ( 4.636 -4.845 0.000) 6.706======================= Grid point 47 (25/132) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 606Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( 1.990 8.598 0.000) 8.825 2.189 ( 0.662 9.296 0.000) 9.320 2.453 ( 9.249 9.249 0.000) 13.080 2.574 ( -0.502 -1.459 0.000) 1.543 2.644 ( 6.044 4.800 0.000) 7.718 3.173 ( 4.643 1.399 0.000) 4.849 4.110 ( 7.081 20.738 0.000) 21.914 5.049 ( 5.889 22.217 0.000) 22.984 5.314 ( -5.877 14.500 0.000) 15.646 5.875 ( -1.495 5.972 0.000) 6.156 5.972 ( -3.783 14.226 0.000) 14.720 6.745 ( 8.774 6.944 0.000) 11.189 7.210 ( 11.780 5.384 0.000) 12.952 7.608 ( 11.394 5.797 0.000) 12.784 8.357 ( 10.941 0.830 0.000) 10.972 8.740 ( 2.152 -3.780 0.000) 4.350 8.769 ( 14.797 3.461 0.000) 15.196 9.169 ( -4.643 -6.456 0.000) 7.952 9.434 ( -0.975 11.488 0.000) 11.529 9.444 ( 0.185 8.140 0.000) 8.142 9.855 ( -12.507 -8.222 0.000) 14.968 9.983 ( -18.656 -8.471 0.000) 20.489 13.222 ( 7.105 -3.661 0.000) 7.993 13.536 ( 4.180 -8.120 0.000) 9.133======================= Grid point 48 (26/132) =======================q-point: ( 0.35 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.242 ( 0.313 8.081 0.000) 8.087 2.275 ( -0.933 8.657 0.000) 8.708 2.561 ( 0.554 -0.376 0.000) 0.669 2.660 ( 5.946 5.408 0.000) 8.038 2.796 ( 5.982 5.136 0.000) 7.884 3.234 ( 2.047 -0.502 0.000) 2.107 4.398 ( 3.354 19.500 0.000) 19.786 5.327 ( 2.199 19.996 0.000) 20.117 5.335 ( -6.751 12.117 0.000) 13.870 5.920 ( -2.455 9.993 0.000) 10.290 6.026 ( -5.773 13.436 0.000) 14.624 6.956 ( 7.628 7.363 0.000) 10.602 7.321 ( 1.557 -4.251 0.000) 4.528 7.718 ( 0.612 -2.212 0.000) 2.295 8.388 ( -0.491 -3.568 0.000) 3.602 8.921 ( 14.477 1.794 0.000) 14.588 8.985 ( 4.945 -2.796 0.000) 5.681 9.137 ( 8.146 0.399 0.000) 8.155 9.500 ( -0.525 2.948 0.000) 2.994 9.502 ( -2.334 6.410 0.000) 6.822 9.635 ( -8.599 1.709 0.000) 8.767 9.710 ( -11.451 5.355 0.000) 12.642 13.293 ( 7.172 -6.668 0.000) 9.793 13.514 ( 4.331 -10.531 0.000) 11.387======================= Grid point 49 (27/132) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 606Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( -1.660 7.705 0.000) 7.882 2.326 ( -2.540 7.612 0.000) 8.025 2.572 ( 0.767 -0.021 0.000) 0.767 2.770 ( 2.740 2.172 0.000) 3.497 2.937 ( 4.577 4.254 0.000) 6.249 3.236 ( -0.153 -1.730 0.000) 1.737 4.598 ( -1.948 18.110 0.000) 18.214 5.331 ( -6.415 10.281 0.000) 12.118 5.511 ( -2.315 17.266 0.000) 17.420 5.978 ( -3.896 12.089 0.000) 12.701 6.044 ( -7.060 12.710 0.000) 14.540 7.142 ( 5.162 7.579 0.000) 9.170 7.243 ( -1.331 -8.171 0.000) 8.279 7.642 ( -3.166 -5.754 0.000) 6.568 8.356 ( -0.300 -1.343 0.000) 1.376 8.967 ( -0.057 -3.465 0.000) 3.465 9.146 ( 10.368 -1.350 0.000) 10.455 9.317 ( 9.091 -1.049 0.000) 9.152 9.466 ( -1.163 -3.298 0.000) 3.497 9.492 ( 0.141 -1.713 0.000) 1.719 9.605 ( -7.293 14.563 0.000) 16.287 9.665 ( -7.587 14.350 0.000) 16.233 13.335 ( 6.857 -9.032 0.000) 11.340 13.485 ( 5.285 -11.704 0.000) 12.842======================= Grid point 50 (28/132) =======================q-point: ( 0.45 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.334 ( -4.235 7.335 0.000) 8.469 2.339 ( -3.556 6.160 0.000) 7.113 2.580 ( 0.152 -0.264 0.000) 0.305 2.803 ( -0.018 0.032 0.000) 0.036 3.006 ( -0.682 1.182 0.000) 1.365 3.218 ( 0.703 -1.218 0.000) 1.407 4.673 ( -8.774 15.197 0.000) 17.548 5.325 ( -5.650 9.786 0.000) 11.300 5.578 ( -8.042 13.930 0.000) 16.085 6.008 ( -6.607 11.443 0.000) 13.213 6.044 ( -7.247 12.551 0.000) 14.493 7.181 ( 3.526 -6.107 0.000) 7.051 7.240 ( -2.917 5.052 0.000) 5.834 7.567 ( 2.553 -4.422 0.000) 5.106 8.347 ( 0.168 -0.292 0.000) 0.337 8.947 ( 1.121 -1.941 0.000) 2.242 9.229 ( 3.244 -5.619 0.000) 6.488 9.390 ( 2.748 -4.759 0.000) 5.495 9.439 ( 1.307 -2.264 0.000) 2.615 9.486 ( 0.880 -1.523 0.000) 1.759 9.617 ( -8.482 14.692 0.000) 16.965 9.678 ( -8.150 14.116 0.000) 16.300 13.349 ( 5.973 -10.346 0.000) 11.947 13.471 ( 6.661 -11.538 0.000) 13.323======================= Grid point 65 (29/132) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( 10.230 17.719 0.000) 20.460 1.850 ( 5.791 10.030 0.000) 11.581 1.955 ( 5.447 9.435 0.000) 10.895 2.318 ( 3.589 6.217 0.000) 7.178 2.700 ( -2.630 -4.555 0.000) 5.260 2.823 ( 5.437 9.418 0.000) 10.875 3.343 ( 14.012 24.269 0.000) 28.023 4.305 ( 14.100 24.422 0.000) 28.200 5.214 ( 7.276 12.602 0.000) 14.552 5.809 ( 1.644 2.847 0.000) 3.288 5.815 ( 7.056 12.221 0.000) 14.111 6.043 ( 19.383 33.572 0.000) 38.766 6.240 ( 5.074 8.788 0.000) 10.147 6.489 ( 17.405 30.146 0.000) 34.809 7.623 ( 6.363 11.021 0.000) 12.726 8.170 ( 5.058 8.760 0.000) 10.115 9.075 ( -4.449 -7.706 0.000) 8.899 9.213 ( 5.155 8.930 0.000) 10.311 9.242 ( 4.392 7.607 0.000) 8.784 9.694 ( -8.495 -14.714 0.000) 16.990 10.695 ( -11.893 -20.599 0.000) 23.786 11.407 ( -23.623 -40.916 0.000) 47.246 12.950 ( 2.920 5.057 0.000) 5.839 13.414 ( 0.909 1.575 0.000) 1.818======================= Grid point 66 (30/132) =======================q-point: ( 0.20 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( 4.428 9.111 0.000) 10.130 2.109 ( 10.210 14.922 0.000) 18.081 2.131 ( 3.542 10.451 0.000) 11.035 2.448 ( 5.006 5.378 0.000) 7.348 2.621 ( -2.028 -3.280 0.000) 3.857 2.988 ( 5.267 5.525 0.000) 7.633 3.796 ( 11.626 23.067 0.000) 25.831 4.768 ( 11.450 24.791 0.000) 27.307 5.443 ( 1.526 17.338 0.000) 17.405 5.848 ( 2.012 0.597 0.000) 2.099 6.033 ( 2.110 15.544 0.000) 15.687 6.427 ( 8.376 6.343 0.000) 10.507 6.652 ( 18.403 22.969 0.000) 29.432 7.052 ( 17.842 21.884 0.000) 28.236 7.869 ( 11.054 8.705 0.000) 14.070 8.356 ( 8.028 6.456 0.000) 10.302 8.893 ( -6.224 -9.846 0.000) 11.649 9.386 ( 1.696 6.760 0.000) 6.970 9.390 ( 3.919 10.617 0.000) 11.317 9.419 ( -6.717 -10.633 0.000) 12.577 10.304 ( -12.405 -15.904 0.000) 20.170 10.694 ( -21.029 -25.825 0.000) 33.304 13.032 ( 3.410 0.628 0.000) 3.468 13.424 ( 1.453 -3.667 0.000) 3.945======================= Grid point 67 (31/132) =======================q-point: ( 0.25 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( 3.143 8.586 0.000) 9.143 2.278 ( 1.374 10.946 0.000) 11.032 2.401 ( 8.614 11.249 0.000) 14.168 2.570 ( -0.916 -1.811 0.000) 2.029 2.595 ( 5.715 5.768 0.000) 8.119 3.110 ( 4.491 2.414 0.000) 5.099 4.190 ( 8.754 21.818 0.000) 23.509 5.172 ( 7.596 24.146 0.000) 25.312 5.575 ( -5.998 16.605 0.000) 17.655 5.923 ( 3.819 5.337 0.000) 6.562 6.186 ( -2.700 16.608 0.000) 16.826 6.648 ( 10.246 5.988 0.000) 11.867 7.085 ( 11.632 11.332 0.000) 16.239 7.490 ( 12.360 12.664 0.000) 17.695 8.157 ( 13.791 4.948 0.000) 14.652 8.572 ( 11.493 3.744 0.000) 12.088 8.702 ( -3.973 -8.353 0.000) 9.250 9.186 ( -5.907 -8.738 0.000) 10.547 9.503 ( 1.096 5.989 0.000) 6.089 9.537 ( 1.124 9.143 0.000) 9.212 9.983 ( -10.714 -7.398 0.000) 13.019 10.200 ( -15.929 -9.621 0.000) 18.609 13.080 ( 4.319 -4.008 0.000) 5.892 13.392 ( 2.027 -8.684 0.000) 8.918======================= Grid point 68 (32/132) =======================q-point: ( 0.30 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( 1.716 8.571 0.000) 8.741 2.391 ( -0.744 10.767 0.000) 10.792 2.551 ( 0.229 -0.300 0.000) 0.377 2.618 ( 5.961 6.839 0.000) 9.073 2.751 ( 5.744 5.980 0.000) 8.292 3.186 ( 3.003 0.058 0.000) 3.004 4.524 ( 5.823 20.936 0.000) 21.730 5.497 ( 3.464 22.747 0.000) 23.009 5.587 ( -8.222 12.146 0.000) 14.667 6.064 ( 0.839 13.760 0.000) 13.785 6.272 ( -5.708 15.626 0.000) 16.636 6.883 ( 9.694 6.916 0.000) 11.908 7.252 ( 2.457 -1.351 0.000) 2.804 7.694 ( 2.318 3.427 0.000) 4.137 8.341 ( 3.520 -1.258 0.000) 3.738 8.698 ( 10.821 -1.097 0.000) 10.877 8.808 ( 12.496 0.348 0.000) 12.501 9.061 ( -0.418 -4.282 0.000) 4.302 9.523 ( -1.484 -1.130 0.000) 1.865 9.554 ( -3.203 -2.996 0.000) 4.386 9.852 ( -6.558 11.582 0.000) 13.309 9.978 ( -10.076 8.797 0.000) 13.376 13.102 ( 5.588 -8.606 0.000) 10.260 13.327 ( 3.151 -12.983 0.000) 13.360======================= Grid point 69 (33/132) =======================q-point: ( 0.35 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.406 ( -0.232 8.612 0.000) 8.615 2.463 ( -2.781 9.990 0.000) 10.370 2.561 ( 0.744 0.444 0.000) 0.866 2.744 ( 3.213 3.026 0.000) 4.414 2.901 ( 5.083 5.312 0.000) 7.352 3.213 ( 0.989 -1.602 0.000) 1.882 4.796 ( 1.906 20.564 0.000) 20.652 5.553 ( -8.050 9.671 0.000) 12.583 5.734 ( -0.980 20.921 0.000) 20.944 6.202 ( -3.440 18.377 0.000) 18.696 6.304 ( -7.443 14.063 0.000) 15.911 7.109 ( 8.215 7.833 0.000) 11.351 7.182 ( -2.378 -9.622 0.000) 9.911 7.666 ( -4.904 -2.291 0.000) 5.413 8.345 ( 0.183 -0.587 0.000) 0.614 8.914 ( 2.536 -3.735 0.000) 4.515 8.922 ( 13.627 -1.908 0.000) 13.760 9.132 ( 10.020 -1.576 0.000) 10.143 9.452 ( -2.221 -5.169 0.000) 5.626 9.474 ( -0.709 -2.834 0.000) 2.921 9.903 ( -7.235 19.145 0.000) 20.466 9.970 ( -8.358 18.004 0.000) 19.849 13.105 ( 7.046 -12.463 0.000) 14.317 13.254 ( 5.201 -15.893 0.000) 16.723======================= Grid point 70 (34/132) =======================q-point: ( 0.40 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( -2.653 8.117 0.000) 8.539 2.493 ( -4.560 8.963 0.000) 10.056 2.577 ( 0.307 0.554 0.000) 0.633 2.795 ( 1.078 0.400 0.000) 1.150 3.014 ( 2.357 3.393 0.000) 4.131 3.196 ( -0.070 -2.286 0.000) 2.287 4.972 ( -5.197 19.302 0.000) 19.989 5.514 ( -6.356 8.147 0.000) 10.333 5.867 ( -6.484 18.445 0.000) 19.551 6.295 ( -8.160 19.642 0.000) 21.269 6.304 ( -7.789 13.028 0.000) 15.179 7.055 ( 1.189 -10.628 0.000) 10.694 7.314 ( 5.501 9.401 0.000) 10.892 7.522 ( -6.247 -5.621 0.000) 8.403 8.346 ( -0.079 0.279 0.000) 0.290 8.905 ( 1.105 -2.827 0.000) 3.035 9.074 ( 8.166 -5.953 0.000) 10.106 9.254 ( 7.020 -5.289 0.000) 8.790 9.394 ( 0.470 -3.701 0.000) 3.731 9.453 ( 0.829 -2.124 0.000) 2.281 9.953 ( -10.083 20.274 0.000) 22.643 10.005 ( -10.028 19.762 0.000) 22.161 13.101 ( 8.267 -14.615 0.000) 16.791 13.204 ( 8.012 -16.711 0.000) 18.532======================= Grid point 86 (35/132) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.198 ( 4.590 7.950 0.000) 9.180 2.327 ( 5.337 9.245 0.000) 10.675 2.383 ( 7.261 12.577 0.000) 14.523 2.569 ( -1.096 -1.898 0.000) 2.191 2.571 ( 4.099 7.100 0.000) 8.199 3.081 ( 2.308 3.998 0.000) 4.617 4.225 ( 11.779 20.402 0.000) 23.558 5.231 ( 12.681 21.964 0.000) 25.362 5.786 ( 9.338 16.174 0.000) 18.676 5.846 ( 0.235 0.407 0.000) 0.470 6.327 ( 7.728 13.385 0.000) 15.455 6.556 ( 4.229 7.326 0.000) 8.459 7.045 ( 9.118 15.792 0.000) 18.235 7.448 ( 10.159 17.595 0.000) 20.317 8.052 ( 5.807 10.057 0.000) 11.613 8.486 ( 3.979 6.891 0.000) 7.957 8.696 ( -5.413 -9.376 0.000) 10.826 9.194 ( -5.710 -9.890 0.000) 11.420 9.523 ( 2.494 4.320 0.000) 4.988 9.572 ( 3.694 6.398 0.000) 7.388 10.044 ( -5.174 -8.962 0.000) 10.348 10.295 ( -7.965 -13.795 0.000) 15.930 13.020 ( -1.012 -1.753 0.000) 2.024 13.327 ( -3.538 -6.127 0.000) 7.075======================= Grid point 87 (36/132) =======================q-point: ( 0.25 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.346 ( 3.548 8.189 0.000) 8.925 2.487 ( 2.257 10.047 0.000) 10.298 2.547 ( -0.106 -0.329 0.000) 0.345 2.594 ( 5.402 8.053 0.000) 9.697 2.720 ( 5.102 6.733 0.000) 8.448 3.145 ( 2.172 1.162 0.000) 2.463 4.598 ( 9.065 19.522 0.000) 21.524 5.622 ( 8.127 21.186 0.000) 22.691 5.817 ( -5.677 6.902 0.000) 8.937 6.118 ( 9.181 14.916 0.000) 17.515 6.511 ( -3.339 16.091 0.000) 16.434 6.750 ( 11.889 4.094 0.000) 12.574 7.230 ( 1.321 2.642 0.000) 2.954 7.710 ( 4.072 9.502 0.000) 10.338 8.253 ( 7.427 5.375 0.000) 9.168 8.570 ( 0.710 -4.641 0.000) 4.695 8.634 ( 7.949 2.661 0.000) 8.382 9.042 ( -2.805 -5.681 0.000) 6.336 9.532 ( -1.817 -2.672 0.000) 3.232 9.569 ( -3.553 -5.431 0.000) 6.490 10.025 ( 0.643 11.118 0.000) 11.137 10.174 ( -2.824 6.429 0.000) 7.022 12.966 ( 0.160 -7.604 0.000) 7.606 13.188 ( -2.157 -11.961 0.000) 12.154======================= Grid point 88 (37/132) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 606Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.477 ( 1.989 8.590 0.000) 8.818 2.556 ( 0.672 0.845 0.000) 1.080 2.598 ( -0.903 10.061 0.000) 10.102 2.724 ( 3.049 3.706 0.000) 4.799 2.869 ( 5.032 5.733 0.000) 7.628 3.177 ( 1.422 -1.004 0.000) 1.741 4.921 ( 6.520 19.248 0.000) 20.322 5.780 ( -7.302 7.843 0.000) 10.716 5.923 ( 3.397 20.182 0.000) 20.466 6.390 ( 3.839 17.547 0.000) 17.962 6.562 ( -6.970 13.459 0.000) 15.156 6.999 ( 11.737 4.304 0.000) 12.501 7.161 ( -5.251 -7.018 0.000) 8.765 7.768 ( -4.689 4.697 0.000) 6.637 8.348 ( 0.230 2.339 0.000) 2.350 8.670 ( 12.405 -2.238 0.000) 12.606 8.789 ( 8.231 -1.754 0.000) 8.416 8.997 ( 2.757 -2.736 0.000) 3.884 9.441 ( -3.191 -6.271 0.000) 7.036 9.462 ( -1.595 -3.598 0.000) 3.936 10.184 ( -1.660 19.880 0.000) 19.950 10.258 ( -3.211 17.953 0.000) 18.238 12.884 ( 2.721 -13.582 0.000) 13.852 13.029 ( 0.820 -17.254 0.000) 17.273======================= Grid point 89 (38/132) =======================q-point: ( 0.35 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.576 ( -0.472 8.580 0.000) 8.593 2.580 ( 0.575 1.454 0.000) 1.563 2.654 ( -3.547 9.201 0.000) 9.861 2.778 ( 1.304 0.462 0.000) 1.383 2.997 ( 3.944 4.179 0.000) 5.746 3.173 ( 0.128 -2.434 0.000) 2.438 5.190 ( 2.339 19.196 0.000) 19.338 5.718 ( -8.591 7.345 0.000) 11.302 6.131 ( -1.892 19.083 0.000) 19.177 6.553 ( -7.746 10.853 0.000) 13.333 6.593 ( -0.650 18.488 0.000) 18.499 6.972 ( -5.866 -9.562 0.000) 11.218 7.217 ( 10.047 1.483 0.000) 10.156 7.684 ( -9.862 5.760 0.000) 11.421 8.361 ( -0.709 1.877 0.000) 2.006 8.845 ( 11.313 -5.754 0.000) 12.692 8.850 ( 2.524 -2.736 0.000) 3.723 9.067 ( 7.946 -5.035 0.000) 9.407 9.354 ( -0.733 -4.668 0.000) 4.725 9.421 ( 0.166 -2.518 0.000) 2.523 10.327 ( -7.242 23.648 0.000) 24.732 10.375 ( -7.536 22.826 0.000) 24.038 12.805 ( 6.689 -17.985 0.000) 19.189 12.894 ( 5.761 -20.529 0.000) 21.322======================= Grid point 90 (39/132) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.594 ( -0.634 1.098 0.000) 1.267 2.619 ( -4.167 7.217 0.000) 8.334 2.666 ( -4.849 8.399 0.000) 9.698 2.789 ( 0.513 -0.888 0.000) 1.026 3.063 ( -0.822 1.424 0.000) 1.644 3.150 ( 1.318 -2.283 0.000) 2.636 5.325 ( -8.954 15.508 0.000) 17.907 5.664 ( -4.556 7.891 0.000) 9.112 6.215 ( -9.406 16.291 0.000) 18.811 6.534 ( -5.912 10.240 0.000) 11.824 6.712 ( -12.301 21.306 0.000) 24.602 6.835 ( 6.485 -11.232 0.000) 12.969 7.330 ( 4.246 -7.355 0.000) 8.493 7.606 ( -7.743 13.412 0.000) 15.487 8.364 ( -0.862 1.494 0.000) 1.725 8.854 ( 1.384 -2.398 0.000) 2.769 8.916 ( 5.668 -9.818 0.000) 11.337 9.115 ( 4.962 -8.594 0.000) 9.924 9.325 ( 1.856 -3.215 0.000) 3.712 9.411 ( 1.190 -2.061 0.000) 2.380 10.384 ( -13.303 23.041 0.000) 26.606 10.427 ( -13.021 22.553 0.000) 26.042 12.771 ( 10.700 -18.533 0.000) 21.400 12.839 ( 11.469 -19.865 0.000) 22.938======================= Grid point 108 (40/132) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.503 ( 4.414 7.645 0.000) 8.828 2.554 ( 0.593 1.027 0.000) 1.186 2.663 ( 4.382 7.589 0.000) 8.764 2.716 ( 2.441 4.228 0.000) 4.882 2.850 ( 3.676 6.367 0.000) 7.351 3.157 ( 0.062 0.108 0.000) 0.124 4.958 ( 9.978 17.282 0.000) 19.956 5.896 ( 1.238 2.144 0.000) 2.476 5.995 ( 9.678 16.762 0.000) 19.356 6.428 ( 8.459 14.651 0.000) 16.917 6.797 ( 2.683 4.647 0.000) 5.365 6.810 ( 5.743 9.948 0.000) 11.487 7.187 ( -3.402 -5.892 0.000) 6.803 7.849 ( 2.548 4.414 0.000) 5.097 8.375 ( 3.451 5.977 0.000) 6.902 8.523 ( 0.122 0.212 0.000) 0.245 8.689 ( 1.896 3.284 0.000) 3.792 8.964 ( -1.400 -2.424 0.000) 2.800 9.438 ( -3.776 -6.540 0.000) 7.552 9.458 ( -2.165 -3.750 0.000) 4.330 10.303 ( 9.027 15.636 0.000) 18.054 10.382 ( 7.616 13.191 0.000) 15.232 12.786 ( -6.011 -10.411 0.000) 12.021 12.929 ( -8.074 -13.985 0.000) 16.149======================= Grid point 109 (41/132) =======================q-point: ( 0.30 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.584 ( 0.989 2.001 0.000) 2.232 2.641 ( 2.590 7.919 0.000) 8.332 2.764 ( 0.795 0.561 0.000) 0.973 2.777 ( -0.136 7.850 0.000) 7.852 2.966 ( 3.922 3.919 0.000) 5.544 3.149 ( -0.078 -1.693 0.000) 1.694 5.279 ( 7.675 17.213 0.000) 18.846 5.908 ( -4.289 5.353 0.000) 6.860 6.281 ( 4.904 16.116 0.000) 16.845 6.626 ( 3.522 1.553 0.000) 3.849 6.788 ( -7.871 9.218 0.000) 12.121 7.034 ( 11.177 -0.867 0.000) 11.211 7.081 ( -4.817 3.539 0.000) 5.977 7.890 ( -4.022 7.461 0.000) 8.476 8.423 ( -3.182 4.750 0.000) 5.717 8.604 ( 9.896 -4.337 0.000) 10.804 8.761 ( 4.542 -0.803 0.000) 4.613 8.937 ( 1.503 -3.485 0.000) 3.795 9.330 ( -2.105 -4.913 0.000) 5.345 9.401 ( -0.850 -2.523 0.000) 2.662 10.605 ( 3.389 22.625 0.000) 22.878 10.651 ( 2.806 21.511 0.000) 21.693 12.573 ( -2.042 -17.836 0.000) 17.953 12.656 ( -3.366 -20.414 0.000) 20.690======================= Grid point 110 (42/132) =======================q-point: ( 0.35 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( 0.003 2.275 0.000) 2.275 2.736 ( -0.790 7.486 0.000) 7.528 2.767 ( 0.521 -1.465 0.000) 1.555 2.815 ( -3.520 6.815 0.000) 7.670 3.058 ( 3.386 1.796 0.000) 3.833 3.119 ( -0.902 -2.777 0.000) 2.920 5.538 ( 2.113 15.612 0.000) 15.754 5.852 ( -8.477 6.699 0.000) 10.805 6.473 ( -1.418 15.405 0.000) 15.470 6.609 ( 4.696 -12.913 0.000) 13.740 6.726 ( -7.678 6.808 0.000) 10.262 7.099 ( -8.020 17.707 0.000) 19.439 7.159 ( 7.401 -6.222 0.000) 9.669 7.883 ( -7.740 12.622 0.000) 14.806 8.408 ( -2.253 2.702 0.000) 3.518 8.704 ( 8.100 -8.256 0.000) 11.566 8.807 ( 2.161 -1.558 0.000) 2.664 8.940 ( 4.814 -7.497 0.000) 8.909 9.272 ( 0.245 -3.488 0.000) 3.497 9.376 ( 0.425 -1.911 0.000) 1.958 10.821 ( -7.719 26.243 0.000) 27.355 10.855 ( -7.658 25.661 0.000) 26.779 12.405 ( 6.993 -22.458 0.000) 23.522 12.454 ( 6.789 -23.951 0.000) 24.895======================= Grid point 129 (43/132) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.630 ( 1.457 2.523 0.000) 2.913 2.753 ( -0.842 -1.459 0.000) 1.684 2.782 ( 3.556 6.159 0.000) 7.112 2.893 ( 1.957 3.390 0.000) 3.914 3.021 ( 1.104 1.912 0.000) 2.208 3.115 ( -0.961 -1.664 0.000) 1.921 5.591 ( 8.035 13.918 0.000) 16.071 5.989 ( 1.634 2.830 0.000) 3.268 6.480 ( -6.529 -11.309 0.000) 13.058 6.556 ( 6.867 11.893 0.000) 13.733 6.901 ( 0.197 0.341 0.000) 0.394 6.994 ( -0.517 -0.895 0.000) 1.033 7.268 ( 6.063 10.501 0.000) 12.125 8.034 ( 3.628 6.284 0.000) 7.257 8.510 ( 0.538 0.933 0.000) 1.077 8.513 ( -1.002 -1.736 0.000) 2.004 8.761 ( 0.467 0.810 0.000) 0.935 8.862 ( -2.246 -3.891 0.000) 4.493 9.252 ( -1.660 -2.875 0.000) 3.320 9.363 ( -0.781 -1.353 0.000) 1.563 11.051 ( 12.525 21.695 0.000) 25.051 11.081 ( 12.240 21.200 0.000) 24.479 12.200 ( -11.030 -19.104 0.000) 22.059 12.245 ( -11.821 -20.475 0.000) 23.643======================= Grid point 130 (44/132) =======================q-point: ( 0.35 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.665 ( -1.376 2.383 0.000) 2.752 2.728 ( 1.259 -2.181 0.000) 2.519 2.860 ( -2.604 4.510 0.000) 5.208 2.909 ( -1.315 2.278 0.000) 2.630 3.047 ( 1.165 -2.018 0.000) 2.330 3.092 ( 0.026 -0.045 0.000) 0.051 5.757 ( -3.138 5.436 0.000) 6.276 6.018 ( -6.109 10.581 0.000) 12.218 6.333 ( 7.786 -13.486 0.000) 15.572 6.716 ( -4.458 7.722 0.000) 8.917 6.838 ( -3.415 5.915 0.000) 6.830 7.007 ( 4.971 -8.610 0.000) 9.942 7.384 ( -5.083 8.803 0.000) 10.165 8.102 ( -4.298 7.445 0.000) 8.597 8.461 ( -1.618 2.802 0.000) 3.235 8.549 ( 3.716 -6.437 0.000) 7.432 8.786 ( 0.543 -0.941 0.000) 1.087 8.804 ( 2.689 -4.657 0.000) 5.378 9.223 ( 0.787 -1.362 0.000) 1.573 9.349 ( 0.435 -0.754 0.000) 0.870 11.333 ( -13.914 24.099 0.000) 27.827 11.359 ( -13.807 23.914 0.000) 27.614 11.944 ( 13.140 -22.760 0.000) 26.281 11.974 ( 13.437 -23.274 0.000) 26.875======================= Grid point 421 (45/132) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.153 ( 0.000 0.000 7.268) 7.268 0.153 ( 0.000 -0.000 7.268) 7.268 0.516 ( -0.000 -0.000 -9.278) 9.278 0.516 ( 0.000 0.000 -9.278) 9.278 1.169 ( 0.000 -0.000 52.364) 52.364 1.479 ( 0.000 -0.000 18.080) 18.080 1.479 ( 0.000 0.000 18.080) 18.080 2.298 ( -0.000 -0.000 -13.957) 13.957 2.298 ( 0.000 0.000 -13.957) 13.957 3.071 ( 0.000 0.000 -29.011) 29.011 4.607 ( -0.000 -0.000 7.768) 7.768 4.607 ( -0.000 0.000 7.768) 7.768 4.962 ( -0.000 -0.000 -5.463) 5.463 4.962 ( -0.000 -0.000 -5.463) 5.463 7.953 ( 0.000 -0.000 20.069) 20.069 8.756 ( 0.000 0.000 0.813) 0.813 8.756 ( 0.000 0.000 0.813) 0.813 8.799 ( 0.000 0.000 -0.771) 0.771 8.799 ( 0.000 -0.000 -0.771) 0.771 9.006 ( 0.000 0.000 -19.621) 19.621 11.350 ( 0.000 0.000 10.744) 10.744 11.804 ( 0.000 -0.000 -6.518) 6.518 16.939 ( 0.000 0.000 0.226) 0.226 16.952 ( 0.000 0.000 -0.226) 0.226======================= Grid point 422 (46/132) =======================q-point: ( 0.05 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.488 ( 18.606 10.742 2.869) 21.675 0.725 ( 22.150 12.789 9.259) 27.202 0.758 ( 16.746 9.668 -9.567) 21.574 1.096 ( 26.981 15.577 -11.916) 33.356 1.265 ( 11.595 6.694 43.142) 45.171 1.548 ( 6.350 3.666 19.159) 20.515 1.849 ( 33.669 19.439 21.219) 44.291 2.376 ( 6.858 3.959 -13.978) 16.065 2.934 ( 37.805 21.827 -31.949) 54.096 3.051 ( -1.115 -0.644 -28.016) 28.046 4.630 ( 1.996 1.153 7.898) 8.227 4.736 ( 10.926 6.308 7.570) 14.713 4.989 ( 2.368 1.367 -5.511) 6.153 5.074 ( 9.489 5.479 -4.893) 12.000 7.880 ( -25.793 -14.891 26.546) 39.896 7.889 ( -5.256 -3.035 13.816) 15.091 8.769 ( 1.149 0.663 0.831) 1.565 8.813 ( 1.224 0.707 -0.788) 1.619 8.907 ( 11.012 6.358 6.384) 14.228 10.001 ( 26.800 15.473 -52.645) 61.067 11.585 ( 19.356 11.175 3.974) 22.701 11.912 ( 9.110 5.260 -5.492) 11.867 15.366 ( -84.983 -49.065 74.512) 123.214 16.474 ( -39.691 -22.915 -5.454) 46.154======================= Grid point 423 (47/132) =======================q-point: ( 0.10 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 16.285 9.402 2.151) 18.927 1.009 ( 7.644 4.413 27.676) 29.049 1.127 ( 14.228 8.215 -9.647) 19.052 1.557 ( 16.453 9.499 -6.609) 20.115 1.716 ( 23.212 13.401 15.577) 31.000 1.788 ( 15.075 8.703 19.287) 25.980 2.604 ( 12.978 7.493 -13.922) 20.455 2.686 ( 23.291 13.447 4.460) 27.262 3.166 ( 22.910 13.227 -13.930) 29.897 3.772 ( 37.047 21.389 -23.506) 48.811 4.694 ( 3.610 2.084 8.289) 9.278 5.066 ( 4.292 2.478 -5.639) 7.508 5.067 ( 17.270 9.971 7.082) 21.162 5.363 ( 15.089 8.712 -3.668) 17.805 7.523 ( -8.107 -4.681 21.154) 23.133 7.808 ( -2.203 -1.272 4.645) 5.296 8.807 ( 2.244 1.296 0.866) 2.732 8.854 ( 2.311 1.334 -0.819) 2.792 9.154 ( 9.351 5.399 10.478) 15.046 10.237 ( -0.397 -0.229 -37.313) 37.316 12.019 ( 13.777 7.954 -0.052) 15.908 12.181 ( 13.585 7.843 -3.522) 16.077 13.908 ( -44.900 -25.923 56.469) 76.660 15.314 ( -58.559 -33.809 -11.860) 68.650======================= Grid point 424 (48/132) =======================q-point: ( 0.15 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 10.200 5.889 23.894) 26.639 1.221 ( 13.028 7.522 1.725) 15.142 1.395 ( 9.957 5.749 -5.998) 12.968 1.879 ( 11.887 6.863 -6.544) 15.206 2.201 ( 18.923 10.925 7.356) 23.055 2.206 ( 20.628 11.910 15.260) 28.289 2.814 ( -0.452 -0.261 -11.029) 11.041 2.950 ( 17.141 9.896 -13.769) 24.111 4.087 ( 45.875 26.486 4.539) 53.166 4.639 ( 38.924 22.473 -15.259) 47.465 4.789 ( 4.623 2.669 8.944) 10.416 5.179 ( 5.487 3.168 -5.795) 8.587 5.472 ( 17.382 10.036 6.537) 21.109 5.719 ( 15.503 8.950 -2.469) 18.070 7.440 ( 0.353 0.204 14.457) 14.463 7.807 ( 2.462 1.422 -1.379) 3.160 8.869 ( 3.187 1.840 0.877) 3.783 8.917 ( 3.157 1.823 -0.828) 3.738 9.302 ( 3.582 2.068 10.058) 10.875 10.126 ( -7.951 -4.591 -24.054) 25.747 12.032 ( -14.429 -8.330 18.168) 24.650 12.477 ( 10.848 6.263 -4.172) 13.202 13.283 ( -11.485 -6.631 14.359) 19.546 13.975 ( -55.394 -31.982 -9.878) 64.721======================= Grid point 425 (49/132) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( 13.225 7.635 15.439) 21.715 1.485 ( 10.381 5.993 1.345) 12.062 1.600 ( 8.352 4.822 -3.252) 10.178 2.100 ( 7.771 4.487 -8.643) 12.459 2.574 ( 14.035 8.103 3.508) 16.582 2.686 ( 21.116 12.192 12.034) 27.191 2.799 ( -0.523 -0.302 -4.045) 4.090 3.362 ( 18.690 10.790 -13.812) 25.623 4.900 ( 5.035 2.907 9.855) 11.442 5.082 ( 40.221 23.222 4.812) 46.692 5.309 ( 5.871 3.390 -5.903) 8.990 5.499 ( 34.919 20.160 -10.962) 41.784 5.834 ( 15.528 8.965 5.982) 18.902 6.047 ( 13.627 7.868 -2.202) 15.889 7.540 ( 8.532 4.926 10.166) 14.157 7.929 ( 8.256 4.766 -5.031) 10.779 8.950 ( 3.832 2.212 0.839) 4.504 8.995 ( 3.690 2.130 -0.793) 4.334 9.319 ( -1.968 -1.137 8.431) 8.732 9.909 ( -10.800 -6.235 -15.164) 19.634 11.507 ( -27.504 -15.879 19.165) 37.094 12.357 ( -35.532 -20.514 -16.281) 44.141 12.988 ( -3.766 -2.174 10.936) 11.768 13.376 ( 2.199 1.270 -5.531) 6.086======================= Grid point 426 (50/132) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.698 ( 8.382 4.839 1.079) 9.738 1.777 ( 7.243 4.182 -1.953) 8.589 1.789 ( 14.342 8.281 8.305) 18.527 2.247 ( 5.637 3.254 -9.476) 11.496 2.789 ( -0.314 -0.181 3.347) 3.366 2.844 ( 9.687 5.593 0.336) 11.190 3.149 ( 19.485 11.250 10.234) 24.717 3.782 ( 18.000 10.392 -14.250) 25.200 5.014 ( 5.003 2.888 10.962) 12.391 5.440 ( 5.512 3.182 -5.879) 8.665 5.751 ( 13.938 8.047 6.441) 17.335 6.084 ( 20.092 11.600 -5.830) 23.922 6.291 ( 20.873 12.051 2.727) 24.256 6.473 ( 28.667 16.551 -5.110) 33.494 7.815 ( 15.086 8.710 7.416) 18.932 8.170 ( 12.514 7.225 -6.233) 15.737 9.040 ( 4.048 2.337 0.764) 4.736 9.081 ( 3.859 2.228 -0.726) 4.515 9.223 ( -6.227 -3.595 7.394) 10.314 9.650 ( -11.697 -6.753 -9.197) 16.341 10.883 ( -26.549 -15.328 10.840) 32.516 11.385 ( -41.811 -24.140 -8.334) 48.993 13.105 ( 7.553 4.361 7.517) 11.514 13.486 ( 5.344 3.085 -6.404) 8.893======================= Grid point 427 (51/132) =======================q-point: ( 0.30 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( 6.702 3.870 0.881) 7.789 1.928 ( 5.963 3.443 -1.314) 7.010 2.110 ( 13.640 7.875 3.437) 16.121 2.371 ( 5.415 3.126 -7.698) 9.917 2.779 ( -0.386 -0.223 7.656) 7.669 3.024 ( 6.162 3.558 -2.947) 7.701 3.564 ( 16.899 9.757 9.099) 21.531 4.167 ( 15.668 9.046 -14.958) 23.475 5.125 ( 4.748 2.741 12.085) 13.271 5.555 ( 4.553 2.628 -5.649) 7.717 5.885 ( 1.979 1.142 9.072) 9.355 6.384 ( 9.109 5.259 -9.443) 14.135 6.854 ( 24.473 14.129 4.403) 28.600 7.120 ( 25.228 14.565 -6.284) 29.801 8.192 ( 17.342 10.012 5.731) 20.828 8.475 ( 13.985 8.074 -5.650) 17.108 9.055 ( -7.880 -4.549 7.407) 11.733 9.130 ( 3.786 2.186 0.688) 4.425 9.167 ( 3.643 2.103 -0.660) 4.258 9.393 ( -10.495 -6.059 -5.699) 13.391 10.327 ( -21.980 -12.690 4.514) 25.778 10.547 ( -31.550 -18.215 -3.634) 36.611 13.268 ( 6.537 3.774 5.986) 9.634 13.590 ( 3.716 2.145 -5.684) 7.122======================= Grid point 428 (52/132) =======================q-point: ( 0.35 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( 5.100 2.945 0.695) 5.930 2.047 ( 4.515 2.606 -0.932) 5.296 2.396 ( 11.204 6.468 0.561) 12.949 2.492 ( 5.037 2.908 -4.301) 7.233 2.782 ( 1.079 0.623 8.418) 8.510 3.129 ( 3.255 1.879 -5.729) 6.851 3.912 ( 13.664 7.889 8.225) 17.793 4.484 ( 12.095 6.983 -15.449) 20.825 5.230 ( 4.466 2.578 12.744) 13.748 5.643 ( 3.180 1.836 -5.172) 6.343 5.910 ( 0.726 0.419 12.015) 12.044 6.569 ( 7.510 4.336 -12.189) 14.958 7.290 ( 13.109 7.568 3.812) 15.610 7.556 ( 12.494 7.213 -6.697) 15.905 8.550 ( 11.543 6.664 6.602) 14.875 8.781 ( 11.714 6.763 -3.033) 13.862 8.928 ( 0.276 0.159 5.328) 5.338 9.197 ( -6.347 -3.664 -4.392) 8.544 9.209 ( 3.111 1.796 0.645) 3.650 9.244 ( 3.070 1.773 -0.626) 3.600 9.900 ( -15.390 -8.885 1.039) 17.801 9.959 ( -20.207 -11.666 -1.112) 23.359 13.400 ( 5.078 2.932 4.633) 7.472 13.653 ( 1.866 1.077 -4.523) 5.010======================= Grid point 429 (53/132) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.100 ( 3.458 1.997 0.518) 4.027 2.132 ( 3.000 1.732 -0.667) 3.528 2.575 ( 2.984 1.723 0.135) 3.448 2.616 ( 7.093 4.095 -1.092) 8.263 2.842 ( 4.117 2.377 5.757) 7.467 3.178 ( 1.181 0.682 -6.921) 7.054 4.179 ( 9.793 5.654 7.481) 13.558 4.710 ( 7.734 4.465 -14.900) 17.372 5.327 ( 4.065 2.347 12.130) 13.006 5.698 ( 1.663 0.960 -4.471) 4.866 5.932 ( 1.349 0.779 14.266) 14.351 6.726 ( 6.131 3.540 -15.374) 16.925 7.448 ( 1.604 0.926 3.777) 4.207 7.695 ( 0.805 0.465 -6.028) 6.099 8.599 ( -3.254 -1.879 10.953) 11.580 9.015 ( 4.225 2.440 -4.139) 6.398 9.067 ( 7.030 4.059 0.993) 8.178 9.184 ( 9.223 5.325 -2.156) 10.866 9.269 ( 2.168 1.252 0.645) 2.585 9.304 ( 2.211 1.276 -0.630) 2.630 9.631 ( -8.795 -5.078 0.041) 10.156 9.635 ( -8.102 -4.678 -0.070) 9.356 13.497 ( 3.495 2.018 3.288) 5.206 13.679 ( 0.529 0.306 -3.276) 3.332======================= Grid point 430 (54/132) =======================q-point: ( 0.45 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.159 ( 1.750 1.010 0.385) 2.057 2.183 ( 1.490 0.860 -0.497) 1.790 2.614 ( 0.922 0.532 2.411) 2.635 2.736 ( 3.339 1.928 -2.038) 4.361 2.946 ( 4.310 2.488 3.049) 5.836 3.188 ( -0.186 -0.108 -6.009) 6.013 4.351 ( 5.203 3.004 6.914) 9.160 4.836 ( 3.507 2.025 -13.314) 13.916 5.408 ( 2.769 1.599 10.302) 10.787 5.721 ( 0.456 0.264 -3.712) 3.749 5.968 ( 1.549 0.894 15.120) 15.225 6.837 ( 3.424 1.977 -18.332) 18.753 7.426 ( -2.055 -1.186 4.757) 5.316 7.656 ( -2.906 -1.678 -4.591) 5.687 8.527 ( -2.449 -1.414 11.113) 11.467 8.963 ( -3.073 -1.774 -5.933) 6.913 9.284 ( 7.474 4.315 2.292) 8.929 9.306 ( 1.101 0.636 0.666) 1.436 9.343 ( 1.155 0.667 -0.654) 1.486 9.399 ( 7.381 4.261 -1.902) 8.732 9.518 ( -2.674 -1.544 0.152) 3.092 9.526 ( -1.645 -0.950 -0.132) 1.904 13.557 ( 1.786 1.031 2.253) 3.054 13.683 ( -0.034 -0.020 -2.287) 2.288======================= Grid point 431 (55/132) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( 0.000 0.000 0.335) 0.335 2.200 ( 0.000 0.000 -0.436) 0.436 2.624 ( 0.000 0.000 2.792) 2.792 2.772 ( 0.000 0.000 -2.490) 2.490 3.002 ( 0.000 0.000 1.949) 1.949 3.181 ( 0.000 0.000 -4.911) 4.911 4.411 ( 0.000 0.000 6.690) 6.690 4.875 ( 0.000 0.000 -12.414) 12.414 5.441 ( 0.000 0.000 9.239) 9.239 5.725 ( 0.000 0.000 -3.339) 3.339 5.988 ( 0.000 0.000 15.177) 15.177 6.875 ( 0.000 0.000 -19.470) 19.470 7.399 ( 0.000 0.000 5.104) 5.104 7.614 ( 0.000 0.000 -3.709) 3.709 8.499 ( 0.000 0.000 10.866) 10.866 8.924 ( 0.000 0.000 -5.754) 5.754 9.319 ( 0.000 0.000 0.679) 0.679 9.356 ( 0.000 0.000 -0.667) 0.667 9.371 ( 0.000 0.000 2.242) 2.242 9.483 ( 0.000 0.000 -1.315) 1.315 9.494 ( 0.000 0.000 -0.204) 0.204 9.513 ( 0.000 0.000 -0.416) 0.416 13.578 ( 0.000 0.000 1.862) 1.862 13.682 ( 0.000 0.000 -1.906) 1.906======================= Grid point 443 (56/132) =======================q-point: ( 0.05 0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.803 ( 10.425 18.057 2.418) 20.991 0.953 ( 4.912 8.509 24.942) 26.808 1.056 ( 9.578 16.590 -9.744) 21.492 1.437 ( 9.728 16.849 -7.956) 21.020 1.562 ( 12.586 21.800 21.617) 33.181 1.719 ( 8.159 14.131 19.289) 25.265 2.489 ( 20.345 35.238 11.902) 42.395 2.540 ( 7.980 13.821 -12.098) 20.026 3.075 ( 4.539 7.862 -22.893) 24.627 3.544 ( 20.902 36.204 -26.428) 49.458 4.681 ( 2.254 3.905 8.168) 9.329 4.959 ( 8.998 15.585 7.218) 19.389 5.052 ( 2.702 4.680 -5.809) 7.934 5.264 ( 7.731 13.391 -3.830) 15.930 7.581 ( -6.587 -11.408 23.312) 26.777 7.823 ( -1.832 -3.172 6.673) 7.612 8.797 ( 1.265 2.191 0.859) 2.672 8.843 ( 1.302 2.256 -0.807) 2.727 9.092 ( 6.021 10.429 9.976) 15.637 10.227 ( 2.171 3.761 -41.940) 42.164 11.921 ( 10.477 18.146 -1.552) 21.011 12.100 ( 7.469 12.937 -3.959) 15.454 14.210 ( -31.507 -54.572 66.131) 91.347 15.662 ( -32.224 -55.813 -10.767) 65.341======================= Grid point 444 (57/132) =======================q-point: ( 0.10 0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 7.062 8.114 23.207) 25.579 1.142 ( 9.795 13.593 4.803) 17.429 1.338 ( 7.204 11.537 -7.008) 15.300 1.749 ( 11.287 9.775 -5.948) 16.073 2.008 ( 16.324 16.968 11.171) 26.060 2.091 ( 13.989 19.547 14.944) 28.304 2.801 ( 2.856 2.689 -12.124) 12.743 2.849 ( 9.890 14.285 -12.875) 21.625 3.709 ( 34.194 38.329 2.825) 51.442 4.313 ( 29.340 32.270 -17.614) 47.037 4.776 ( 2.960 6.114 8.678) 11.020 5.163 ( 3.350 7.038 -5.970) 9.818 5.311 ( 13.989 13.967 6.720) 20.879 5.571 ( 12.577 11.926 -2.643) 17.533 7.444 ( -1.852 -2.610 16.491) 16.799 7.791 ( 0.415 0.047 0.470) 0.629 8.854 ( 2.120 3.433 0.880) 4.130 8.900 ( 2.132 3.369 -0.811) 4.069 9.262 ( 4.384 4.695 10.553) 12.355 10.183 ( -4.633 -5.419 -28.154) 29.042 12.109 ( -2.582 -2.529 11.072) 11.647 12.377 ( 9.820 11.012 -3.031) 15.063 13.415 ( -16.643 -19.303 28.274) 38.066 14.435 ( -45.079 -52.593 -11.687) 70.247======================= Grid point 445 (58/132) =======================q-point: ( 0.15 0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 10.424 9.292 17.553) 22.430 1.421 ( 8.153 11.644 2.331) 14.404 1.548 ( 6.006 9.273 -3.732) 11.661 2.001 ( 9.158 5.639 -7.375) 13.041 2.419 ( 14.366 11.728 4.933) 19.190 2.542 ( 15.682 20.598 12.945) 28.944 2.799 ( -0.303 -1.073 -7.523) 7.605 3.237 ( 13.824 18.690 -13.622) 26.944 4.691 ( 36.978 33.766 4.586) 50.285 4.895 ( 2.711 8.110 9.373) 12.688 5.148 ( 32.300 28.144 -12.187) 44.541 5.299 ( 3.432 8.968 -6.121) 11.387 5.671 ( 14.008 9.771 6.384) 18.233 5.896 ( 13.104 8.766 -2.027) 15.895 7.465 ( 4.540 2.652 11.640) 12.773 7.853 ( 5.151 3.432 -3.925) 7.329 8.934 ( 2.525 4.835 0.861) 5.522 8.979 ( 2.487 4.587 -0.766) 5.274 9.323 ( 0.281 -0.318 9.137) 9.147 10.001 ( -8.258 -8.077 -18.327) 21.663 11.754 ( -21.377 -19.429 21.578) 36.056 12.553 ( -3.782 -2.963 -11.025) 12.026 13.138 ( -20.328 -15.529 4.752) 26.019 13.364 ( -10.236 -17.083 -3.961) 20.305======================= Grid point 446 (59/132) =======================q-point: ( 0.20 0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 9.344 9.453 4.607) 14.068 1.664 ( 9.662 10.489 6.895) 15.840 1.732 ( 5.454 8.398 -1.804) 10.175 2.177 ( 6.571 3.590 -9.014) 11.718 2.725 ( 10.779 7.201 1.550) 13.056 2.785 ( 0.199 -1.002 0.307) 1.067 3.013 ( 15.254 20.265 11.000) 27.647 3.663 ( 13.765 19.328 -13.921) 27.510 5.022 ( 1.914 9.537 10.304) 14.170 5.437 ( 2.955 9.657 -5.841) 11.666 5.555 ( 25.753 22.946 4.634) 34.802 5.854 ( 20.503 13.489 -4.931) 25.033 6.062 ( 22.191 15.778 1.272) 27.258 6.208 ( 17.190 9.606 -2.897) 19.904 7.654 ( 12.038 6.503 8.496) 16.105 8.033 ( 10.407 5.723 -6.089) 13.347 9.031 ( 2.373 6.084 0.833) 6.583 9.072 ( 2.360 5.764 -0.682) 6.266 9.270 ( -3.779 -3.929 7.713) 9.446 9.759 ( -10.016 -8.915 -11.434) 17.622 11.151 ( -24.599 -19.811 14.457) 34.736 11.819 ( -40.103 -31.425 -11.642) 52.262 13.016 ( 6.711 3.089 8.451) 11.225 13.401 ( 6.514 1.006 -6.100) 8.981======================= Grid point 447 (60/132) =======================q-point: ( 0.25 0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 5.193 8.388 0.768) 9.895 1.890 ( 4.746 7.171 -1.432) 8.718 1.976 ( 12.413 10.455 5.217) 17.047 2.310 ( 5.493 3.390 -8.402) 10.596 2.773 ( 0.092 -1.325 5.978) 6.124 2.940 ( 7.752 4.119 -1.589) 8.921 3.451 ( 13.300 18.925 9.803) 25.123 4.071 ( 11.974 18.617 -14.536) 26.481 5.145 ( 0.954 10.295 11.341) 15.347 5.568 ( 1.437 9.781 -5.764) 11.443 5.870 ( 3.281 4.535 7.486) 9.347 6.276 ( 11.638 7.911 -8.137) 16.255 6.565 ( 25.552 15.561 4.646) 30.276 6.815 ( 28.200 17.413 -5.929) 33.669 7.980 ( 17.118 7.775 6.416) 19.866 8.303 ( 13.832 6.112 -6.203) 16.345 9.103 ( -3.139 -2.132 4.894) 6.193 9.155 ( -1.276 3.564 2.492) 4.532 9.171 ( 1.327 6.282 -0.008) 6.421 9.498 ( -10.056 -8.555 -6.976) 14.932 10.566 ( -22.432 -16.412 7.088) 28.684 10.903 ( -33.854 -24.043 -5.539) 41.891 13.172 ( 7.613 2.175 6.440) 10.206 13.513 ( 5.875 -0.382 -5.928) 8.355======================= Grid point 448 (61/132) =======================q-point: ( 0.30 0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 3.552 7.469 0.639) 8.295 2.025 ( 3.311 6.443 -0.971) 7.309 2.278 ( 11.352 8.940 1.588) 14.537 2.436 ( 5.186 3.594 -5.790) 8.564 2.766 ( 0.766 -0.793 8.360) 8.433 3.077 ( 4.940 1.847 -4.651) 7.031 3.833 ( 10.510 17.185 8.901) 22.023 4.426 ( 8.904 16.988 -15.187) 24.465 5.256 ( 0.176 10.258 12.229) 15.963 5.675 ( -0.092 9.371 -5.437) 10.834 5.922 ( 0.016 2.888 10.391) 10.784 6.491 ( 7.639 5.775 -10.536) 14.237 7.098 ( 19.143 10.369 4.097) 22.153 7.367 ( 19.152 10.289 -6.503) 22.692 8.357 ( 17.569 6.561 5.534) 19.553 8.608 ( 14.862 5.382 -4.955) 16.565 8.947 ( -4.990 -5.862 7.318) 10.621 9.227 ( -1.705 2.677 -1.556) 3.535 9.245 ( -1.284 4.611 -0.572) 4.820 9.291 ( -3.486 1.557 -2.492) 4.560 10.081 ( -17.717 -12.003 2.467) 21.542 10.210 ( -24.552 -15.521 -2.249) 29.134 13.309 ( 6.988 0.188 5.141) 8.677 13.588 ( 4.562 -2.480 -4.963) 7.183======================= Grid point 449 (62/132) =======================q-point: ( 0.35 0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.098 ( 1.921 6.566 0.502) 6.860 2.129 ( 1.794 5.711 -0.638) 6.020 2.522 ( 7.544 5.660 -0.469) 9.443 2.548 ( 4.604 3.103 -1.744) 5.819 2.799 ( 3.155 1.417 7.075) 7.875 3.151 ( 2.647 0.441 -6.656) 7.176 4.143 ( 7.028 15.300 8.098) 18.683 4.701 ( 4.823 14.806 -15.202) 21.762 5.352 ( -0.143 9.382 12.323) 15.489 5.747 ( -1.706 8.460 -4.900) 9.924 5.951 ( -0.453 4.190 13.065) 13.728 6.665 ( 6.272 5.543 -13.437) 15.831 7.385 ( 7.346 2.010 3.674) 8.456 7.643 ( 6.498 1.670 -6.526) 9.360 8.590 ( 2.951 -2.089 9.338) 10.013 8.875 ( 12.295 3.577 -0.279) 12.808 8.966 ( 9.853 2.270 -0.010) 10.111 9.121 ( -0.562 -2.857 -3.709) 4.715 9.315 ( -1.101 8.619 0.663) 8.714 9.350 ( -0.686 8.120 -0.625) 8.173 9.738 ( -11.191 -7.391 0.363) 13.416 9.764 ( -14.437 -7.902 -0.560) 16.468 13.413 ( 6.175 -1.747 3.806) 7.462 13.623 ( 3.503 -4.303 -3.753) 6.699======================= Grid point 450 (63/132) =======================q-point: ( 0.40 0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( 0.228 5.624 0.357) 5.640 2.198 ( 0.198 4.941 -0.449) 4.965 2.597 ( 1.638 0.587 1.809) 2.510 2.691 ( 4.786 3.383 -1.685) 6.098 2.896 ( 4.765 3.205 3.993) 6.995 3.181 ( 0.875 -0.283 -6.578) 6.642 4.367 ( 2.697 13.259 7.361) 15.403 4.878 ( 0.293 12.441 -13.912) 18.665 5.434 ( -0.345 7.827 10.923) 13.442 5.785 ( -3.059 7.564 -4.286) 9.216 5.991 ( -0.606 5.675 14.610) 15.685 6.807 ( 4.045 4.818 -16.545) 17.700 7.423 ( -0.178 -3.274 4.322) 5.426 7.666 ( -1.048 -3.213 -5.418) 6.386 8.544 ( -1.812 -3.122 11.037) 11.613 8.975 ( -1.109 -3.694 -5.905) 7.052 9.156 ( 11.588 3.195 2.456) 12.269 9.275 ( 10.876 3.138 -1.891) 11.476 9.368 ( -2.534 8.549 0.690) 8.943 9.407 ( -2.138 8.515 -0.743) 8.811 9.552 ( -4.663 -3.633 0.042) 5.912 9.555 ( -4.714 -2.779 -0.039) 5.472 13.484 ( 5.158 -3.495 2.602) 6.752 13.629 ( 3.058 -5.498 -2.617) 6.814======================= Grid point 451 (64/132) =======================q-point: ( 0.45 0.05 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.216 ( -1.516 4.651 0.260) 4.899 2.233 ( -1.359 4.102 -0.368) 4.337 2.617 ( 0.644 -0.133 2.761) 2.838 2.764 ( 1.453 0.882 -2.484) 3.010 2.992 ( 2.400 2.086 2.168) 3.849 3.180 ( -0.123 -0.568 -5.027) 5.060 4.488 ( -2.535 10.741 6.868) 12.998 4.960 ( -3.671 10.285 -12.261) 16.419 5.487 ( -1.660 5.898 9.038) 10.919 5.797 ( -3.897 7.178 -3.872) 9.039 6.030 ( -1.870 5.743 15.086) 16.250 6.886 ( 0.503 3.085 -18.631) 18.892 7.381 ( 0.242 -3.140 5.061) 5.961 7.603 ( -0.817 -3.544 -4.034) 5.432 8.499 ( -0.685 -1.261 10.788) 10.883 8.923 ( -0.773 -2.020 -5.752) 6.146 9.317 ( 5.036 -0.603 2.111) 5.493 9.399 ( -3.287 7.966 0.778) 8.652 9.405 ( 0.348 2.865 -0.982) 3.048 9.464 ( 0.737 4.904 -1.520) 5.187 9.486 ( -0.536 -1.732 0.374) 1.851 9.507 ( -0.044 -1.086 -0.383) 1.152 13.520 ( 3.876 -4.892 1.874) 6.517 13.625 ( 3.225 -5.926 -1.913) 7.013======================= Grid point 464 (65/132) =======================q-point: ( 0.10 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.306 ( 6.732 11.660 19.177) 23.431 1.413 ( 7.525 13.034 1.573) 15.132 1.552 ( 5.913 10.241 -3.659) 12.378 1.939 ( 5.382 9.321 -6.635) 12.644 2.350 ( 9.521 16.491 5.275) 19.759 2.517 ( 13.582 23.525 13.502) 30.334 2.795 ( -0.631 -1.092 -8.829) 8.919 3.219 ( 12.287 21.281 -13.499) 28.037 4.534 ( 25.247 43.729 4.326) 50.679 4.923 ( 4.897 8.482 9.222) 13.453 5.002 ( 21.242 36.793 -12.791) 44.369 5.326 ( 5.306 9.191 -6.284) 12.334 5.589 ( 8.010 13.874 6.484) 17.282 5.816 ( 7.297 12.639 -1.849) 14.711 7.439 ( 1.438 2.491 12.232) 12.565 7.826 ( 2.183 3.780 -3.448) 5.563 8.940 ( 3.050 5.283 0.849) 6.159 8.984 ( 2.895 5.014 -0.730) 5.835 9.317 ( 0.341 0.591 9.475) 9.500 10.031 ( -5.580 -9.666 -19.612) 22.565 11.842 ( -13.325 -23.080 21.947) 34.524 12.555 ( 2.084 3.609 -7.367) 8.464 13.240 ( -0.115 -0.199 1.570) 1.586 13.379 ( -28.580 -49.502 -3.447) 57.264======================= Grid point 465 (66/132) =======================q-point: ( 0.15 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( 9.478 12.645 11.117) 19.321 1.650 ( 6.358 11.285 1.368) 13.025 1.744 ( 4.821 10.386 -1.602) 11.561 2.108 ( 5.895 5.470 -7.991) 11.337 2.638 ( 8.874 10.269 2.142) 13.740 2.774 ( -0.358 -1.181 -1.983) 2.336 2.993 ( 13.969 24.263 11.734) 30.356 3.657 ( 12.789 23.289 -13.705) 29.896 5.097 ( 3.394 11.995 9.824) 15.872 5.375 ( 26.064 34.794 3.193) 43.590 5.505 ( 4.097 12.303 -5.787) 14.200 5.681 ( 17.536 19.806 -6.698) 27.288 5.891 ( 15.957 17.609 3.021) 23.955 6.062 ( 9.944 8.357 -1.831) 13.118 7.552 ( 6.854 6.324 9.230) 13.121 7.946 ( 6.255 6.012 -5.931) 10.509 9.057 ( 3.103 7.436 0.763) 8.094 9.093 ( 3.009 6.828 -0.571) 7.484 9.281 ( -2.431 -4.032 8.141) 9.404 9.814 ( -7.837 -10.742 -12.892) 18.521 11.310 ( -19.228 -24.596 16.754) 35.431 12.090 ( -31.081 -38.696 -14.437) 51.690 12.956 ( 2.670 1.629 9.006) 9.534 13.310 ( 4.782 1.997 -5.143) 7.301======================= Grid point 466 (67/132) =======================q-point: ( 0.20 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 5.847 11.039 1.209) 12.551 1.872 ( 8.345 10.553 2.546) 13.693 1.928 ( 5.292 11.338 1.672) 12.623 2.252 ( 5.570 4.330 -7.960) 10.637 2.756 ( -0.086 -1.574 4.066) 4.361 2.856 ( 7.381 5.726 -0.707) 9.368 3.453 ( 12.142 23.736 10.658) 28.713 4.095 ( 11.009 23.867 -14.217) 29.882 5.265 ( 0.706 14.815 10.482) 18.162 5.674 ( 1.084 14.057 -5.756) 15.228 5.861 ( 4.376 6.911 5.479) 9.846 6.128 ( 18.523 14.823 -4.751) 24.195 6.337 ( 17.447 14.319 2.941) 22.761 6.539 ( 25.863 22.283 -5.502) 34.579 7.791 ( 12.859 7.407 7.168) 16.480 8.150 ( 10.410 6.067 -6.650) 13.762 9.143 ( -4.294 -3.517 6.083) 8.234 9.203 ( 1.524 6.015 1.622) 6.413 9.216 ( 2.285 8.181 -0.085) 8.495 9.564 ( -8.789 -10.682 -8.170) 16.066 10.750 ( -19.792 -20.407 9.343) 29.924 11.194 ( -30.878 -30.870 -7.424) 44.289 13.071 ( 6.092 2.126 6.508) 9.164 13.406 ( 5.260 -0.716 -5.689) 7.781======================= Grid point 467 (68/132) =======================q-point: ( 0.25 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 3.449 9.526 0.533) 10.145 2.056 ( 2.815 9.641 -1.208) 10.116 2.192 ( 10.171 11.220 2.526) 15.353 2.387 ( 5.189 4.514 -6.205) 9.263 2.743 ( 0.532 -1.461 7.494) 7.653 3.006 ( 5.563 2.552 -3.724) 7.164 3.866 ( 9.468 22.535 9.936) 26.386 4.490 ( 7.918 23.235 -14.858) 28.693 5.406 ( -1.980 15.657 11.130) 19.311 5.811 ( -1.433 14.378 -5.465) 15.448 5.950 ( 1.492 4.155 8.465) 9.547 6.415 ( 8.770 6.612 -8.887) 14.128 6.872 ( 20.960 14.947 4.502) 26.134 7.138 ( 21.305 15.209 -6.100) 26.878 8.117 ( 16.888 6.248 5.773) 18.910 8.409 ( 13.511 4.718 -5.960) 15.503 8.973 ( -5.985 -8.038 7.518) 12.528 9.292 ( -5.222 -2.536 -3.907) 6.998 9.329 ( 0.778 9.993 0.325) 10.029 9.357 ( -1.295 3.235 -1.662) 3.861 10.255 ( -17.601 -14.806 4.201) 23.381 10.467 ( -25.001 -19.602 -3.617) 31.974 13.184 ( 6.461 -1.087 5.268) 8.407 13.468 ( 4.901 -4.241 -5.007) 8.190======================= Grid point 468 (69/132) =======================q-point: ( 0.30 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 1.874 8.812 0.583) 9.028 2.181 ( 0.952 9.343 -0.679) 9.416 2.452 ( 8.458 8.455 0.031) 11.959 2.508 ( 3.995 3.509 -2.995) 6.102 2.761 ( 2.548 0.620 7.514) 7.958 3.100 ( 3.790 0.621 -6.128) 7.232 4.216 ( 6.333 21.136 9.252) 23.926 4.814 ( 3.973 21.833 -15.173) 26.882 5.503 ( -3.568 13.875 11.532) 18.391 5.904 ( -3.472 13.054 -4.707) 14.305 6.019 ( -0.079 7.871 10.723) 13.301 6.615 ( 7.147 6.918 -11.083) 14.892 7.254 ( 11.455 5.324 3.885) 13.215 7.522 ( 11.040 5.602 -6.632) 14.044 8.443 ( 13.457 2.029 6.458) 15.063 8.685 ( 13.571 2.282 -3.591) 14.222 8.850 ( 1.996 -3.283 5.712) 6.884 9.120 ( -4.206 -6.274 -4.353) 8.718 9.437 ( -0.825 10.974 0.262) 11.008 9.444 ( -0.000 8.644 -0.008) 8.644 9.873 ( -13.542 -8.309 1.554) 15.963 9.963 ( -17.871 -8.454 -1.711) 19.844 13.269 ( 6.643 -4.337 4.051) 8.908 13.490 ( 4.578 -7.488 -3.950) 9.624======================= Grid point 469 (70/132) =======================q-point: ( 0.35 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.247 ( 0.063 8.241 0.462) 8.254 2.271 ( -0.800 8.663 -0.388) 8.709 2.574 ( 1.931 1.116 1.112) 2.492 2.644 ( 5.501 4.927 -1.407) 7.518 2.848 ( 4.784 3.553 4.606) 7.532 3.152 ( 2.188 -0.213 -6.732) 7.081 4.494 ( 2.516 19.824 8.425) 21.687 5.049 ( -0.698 20.007 -14.344) 24.627 5.562 ( -3.530 10.719 10.888) 15.682 5.955 ( -4.904 12.051 -4.487) 13.763 6.099 ( -1.874 11.572 12.550) 17.173 6.792 ( 5.047 7.447 -13.616) 16.320 7.370 ( 2.227 -3.349 4.142) 5.773 7.633 ( 1.306 -2.203 -6.345) 6.842 8.523 ( 0.532 -3.613 10.214) 10.848 8.905 ( 8.142 -1.562 -3.973) 9.193 8.979 ( 9.502 0.087 1.606) 9.637 9.110 ( 9.312 0.800 -2.399) 9.649 9.501 ( -0.799 3.238 0.051) 3.335 9.502 ( -2.060 5.603 0.024) 5.970 9.645 ( -9.025 2.558 0.896) 9.423 9.699 ( -11.042 5.076 -1.016) 12.196 13.326 ( 6.735 -7.244 2.833) 10.289 13.482 ( 4.728 -9.975 -2.817) 11.392======================= Grid point 470 (71/132) =======================q-point: ( 0.40 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.310 ( -1.830 7.655 0.192) 7.873 2.323 ( -2.489 7.631 -0.247) 8.031 2.603 ( 0.982 0.181 2.646) 2.828 2.743 ( 2.440 1.770 -2.414) 3.861 2.965 ( 3.960 3.609 2.580) 5.946 3.171 ( 0.591 -0.626 -5.242) 5.312 4.683 ( -2.597 18.287 7.556) 19.956 5.182 ( -5.407 17.800 -11.897) 22.082 5.599 ( -3.011 8.116 8.444) 12.093 5.978 ( -5.888 11.456 -5.190) 13.886 6.173 ( -4.044 13.112 14.210) 19.753 6.920 ( 1.284 6.735 -15.831) 17.252 7.331 ( 0.494 -5.669 5.026) 7.592 7.577 ( -1.736 -5.605 -5.083) 7.763 8.492 ( -0.270 -1.950 10.449) 10.633 8.904 ( 0.059 -3.345 -5.691) 6.601 9.176 ( 10.020 -1.268 2.493) 10.403 9.296 ( 9.215 -1.083 -1.911) 9.473 9.469 ( -0.966 -3.038 0.327) 3.205 9.488 ( -0.048 -1.912 -0.357) 1.946 9.614 ( -7.351 14.517 0.779) 16.291 9.657 ( -7.561 14.375 -0.772) 16.261 13.357 ( 6.619 -9.424 1.896) 11.671 13.463 ( 5.507 -11.314 -1.920) 12.728======================= Grid point 471 (72/132) =======================q-point: ( 0.45 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.334 ( -4.130 7.153 -0.001) 8.260 2.337 ( -3.621 6.271 -0.151) 7.243 2.613 ( 0.154 -0.266 2.829) 2.846 2.771 ( 0.077 -0.133 -2.855) 2.859 3.024 ( -0.605 1.047 1.662) 2.056 3.169 ( 0.331 -0.574 -3.918) 3.973 4.753 ( -8.930 15.467 7.142) 19.235 5.222 ( -9.041 15.660 -10.269) 20.795 5.614 ( -3.835 6.643 6.739) 10.210 5.983 ( -6.388 11.065 -5.514) 13.916 6.206 ( -7.109 12.313 14.783) 20.510 6.961 ( -2.597 4.498 -15.880) 16.708 7.311 ( 2.133 -3.694 4.149) 5.950 7.522 ( 2.619 -4.537 -3.887) 6.523 8.480 ( 0.425 -0.737 10.243) 10.279 8.885 ( 1.081 -1.872 -5.583) 5.986 9.257 ( 3.150 -5.456 2.316) 6.713 9.370 ( 2.819 -4.883 -1.809) 5.922 9.446 ( 1.242 -2.151 0.613) 2.559 9.479 ( 0.935 -1.620 -0.603) 1.965 9.626 ( -8.454 14.642 0.751) 16.924 9.668 ( -8.223 14.243 -0.790) 16.466 13.367 ( 6.072 -10.517 1.540) 12.242 13.453 ( 6.559 -11.360 -1.574) 13.211======================= Grid point 486 (73/132) =======================q-point: ( 0.15 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( 8.101 14.032 4.754) 16.885 1.859 ( 5.728 9.921 0.767) 11.481 1.949 ( 5.965 10.332 0.119) 11.931 2.222 ( 3.569 6.182 -7.520) 10.368 2.749 ( -0.774 -1.341 3.193) 3.549 2.818 ( 4.595 7.959 -0.378) 9.199 3.472 ( 13.826 23.947 11.069) 29.785 4.125 ( 13.718 23.760 -14.135) 30.862 5.348 ( 7.555 13.086 10.176) 18.217 5.751 ( 7.167 12.413 -5.695) 15.423 5.858 ( 2.593 4.490 3.998) 6.548 6.016 ( 15.084 26.127 -2.168) 30.246 6.257 ( 8.595 14.887 1.467) 17.253 6.420 ( 17.260 29.896 -5.269) 34.921 7.714 ( 5.809 10.061 7.518) 13.838 8.088 ( 4.828 8.362 -6.834) 11.830 9.165 ( -4.414 -7.644 7.538) 11.608 9.219 ( 5.037 8.725 0.474) 10.085 9.240 ( 4.509 7.810 -0.216) 9.021 9.587 ( -7.036 -12.188 -8.677) 16.533 10.821 ( -14.142 -24.494 10.274) 30.091 11.312 ( -21.944 -38.009 -8.291) 44.665 13.027 ( 2.270 3.933 6.457) 7.894 13.352 ( 0.998 1.728 -5.448) 5.802======================= Grid point 487 (74/132) =======================q-point: ( 0.20 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( 4.420 9.364 0.730) 10.380 2.091 ( 5.908 11.397 -1.264) 12.900 2.162 ( 6.933 12.106 2.469) 14.167 2.352 ( 4.681 5.824 -5.888) 9.513 2.725 ( -0.220 -1.428 6.613) 6.769 2.952 ( 4.193 4.048 -3.123) 6.612 3.920 ( 11.371 23.232 10.770) 28.018 4.573 ( 10.804 24.107 -14.773) 30.268 5.587 ( 1.914 17.413 10.303) 20.323 5.925 ( 3.139 2.345 6.047) 7.206 5.977 ( 2.403 15.182 -4.418) 15.993 6.323 ( 8.666 6.727 -8.019) 13.588 6.719 ( 17.220 21.554 4.932) 28.026 6.982 ( 17.605 21.911 -5.676) 28.675 7.945 ( 10.590 8.246 6.236) 14.799 8.271 ( 8.168 6.267 -6.674) 12.269 8.990 ( -5.839 -9.212 7.629) 13.310 9.339 ( -6.659 -8.921 -5.658) 12.488 9.391 ( 3.517 9.122 0.149) 9.777 9.397 ( 2.894 7.636 -0.267) 8.171 10.369 ( -14.006 -17.825 5.430) 23.311 10.641 ( -19.929 -24.606 -4.629) 32.001 13.092 ( 3.039 -0.107 5.178) 6.005 13.368 ( 1.675 -3.119 -4.841) 5.998======================= Grid point 488 (75/132) =======================q-point: ( 0.25 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.194 ( 3.133 9.107 1.089) 9.693 2.262 ( 2.017 10.906 -1.388) 11.178 2.406 ( 7.652 10.235 0.480) 12.788 2.482 ( 3.855 4.634 -3.481) 6.961 2.727 ( 1.749 0.323 7.381) 7.592 3.044 ( 3.599 1.411 -5.579) 6.787 4.312 ( 8.270 22.252 10.508) 25.960 4.958 ( 6.612 23.743 -15.268) 28.992 5.724 ( -4.823 15.254 10.172) 18.958 6.033 ( 4.048 7.120 7.687) 11.232 6.135 ( -1.694 16.122 -3.393) 16.562 6.540 ( 9.607 6.130 -9.102) 14.585 7.135 ( 11.238 11.340 4.335) 16.544 7.410 ( 11.703 12.431 -6.297) 18.197 8.227 ( 14.117 4.932 5.496) 15.931 8.487 ( 11.515 3.088 -5.427) 13.099 8.817 ( -3.401 -7.217 7.765) 11.133 9.132 ( -5.480 -8.374 -4.775) 11.088 9.509 ( 1.068 6.343 0.519) 6.453 9.534 ( 1.079 8.519 -0.346) 8.594 10.016 ( -11.604 -7.738 2.847) 14.235 10.169 ( -15.246 -9.293 -2.705) 18.059 13.127 ( 3.948 -4.724 4.049) 7.369 13.347 ( 2.332 -8.027 -3.903) 9.225======================= Grid point 489 (76/132) =======================q-point: ( 0.30 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.323 ( 1.357 9.081 1.257) 9.267 2.381 ( -0.398 10.620 -0.865) 10.663 2.556 ( 1.747 1.757 0.516) 2.530 2.604 ( 5.520 6.319 -1.167) 8.471 2.805 ( 4.541 3.859 4.718) 7.601 3.106 ( 2.923 0.174 -6.590) 7.212 4.639 ( 5.003 21.399 9.969) 24.132 5.260 ( 1.805 22.931 -15.025) 27.474 5.750 ( -5.978 10.274 10.277) 15.713 6.156 ( -2.675 13.050 -0.420) 13.328 6.262 ( -0.996 15.784 5.502) 16.745 6.763 ( 8.065 8.017 -10.057) 15.181 7.304 ( 2.565 -0.217 4.579) 5.253 7.602 ( 2.104 3.028 -7.036) 7.943 8.445 ( 6.242 -0.996 7.775) 10.021 8.699 ( 12.255 -0.484 -1.401) 12.344 8.818 ( 8.579 -0.872 2.146) 8.886 9.017 ( 0.308 -3.909 -3.830) 5.481 9.527 ( -1.743 -1.373 0.388) 2.253 9.549 ( -2.956 -2.684 -0.399) 4.013 9.871 ( -7.106 11.116 1.624) 13.293 9.960 ( -9.588 9.165 -1.589) 13.358 13.136 ( 5.208 -9.260 2.902) 11.014 13.295 ( 3.487 -12.355 -2.850) 13.150======================= Grid point 490 (77/132) =======================q-point: ( 0.35 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.415 ( -0.812 8.669 0.809) 8.744 2.456 ( -2.561 9.771 -0.625) 10.121 2.590 ( 1.095 0.843 2.459) 2.821 2.719 ( 2.831 2.621 -2.237) 4.460 2.931 ( 4.680 4.541 2.747) 7.076 3.146 ( 1.745 -0.329 -5.359) 5.646 4.899 ( 0.865 20.867 8.981) 22.734 5.462 ( -3.921 21.305 -12.151) 24.838 5.743 ( -4.768 7.844 7.811) 12.053 6.199 ( -6.051 11.873 -6.750) 14.938 6.401 ( -3.094 18.416 11.823) 22.102 6.959 ( 4.286 9.180 -10.945) 14.914 7.265 ( -0.700 -6.731 5.584) 8.774 7.575 ( -3.935 -3.024 -6.929) 8.523 8.470 ( 0.775 -1.516 9.499) 9.650 8.844 ( 3.874 -3.625 -5.283) 7.487 8.969 ( 11.426 -1.742 2.975) 11.934 9.107 ( 10.436 -1.560 -2.225) 10.784 9.455 ( -2.002 -4.816 0.283) 5.224 9.471 ( -0.934 -3.162 -0.286) 3.310 9.913 ( -7.392 18.980 0.851) 20.386 9.960 ( -8.187 18.174 -0.845) 19.951 13.127 ( 6.763 -12.968 1.897) 14.749 13.232 ( 5.459 -15.394 -1.898) 16.443======================= Grid point 491 (78/132) =======================q-point: ( 0.40 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( -2.854 7.707 0.146) 8.219 2.488 ( -4.299 8.695 -0.475) 9.711 2.611 ( 0.221 0.899 2.802) 2.951 2.762 ( 0.892 0.308 -2.857) 3.009 3.031 ( 2.034 2.909 1.576) 3.884 3.156 ( 0.342 -0.906 -3.187) 3.330 5.061 ( -5.875 19.503 7.912) 21.851 5.541 ( -8.402 17.130 -4.701) 19.650 5.751 ( -4.117 8.495 0.635) 9.462 6.200 ( -6.126 10.241 -8.719) 14.779 6.500 ( -7.840 19.503 13.768) 25.127 7.039 ( -1.361 1.936 -4.798) 5.350 7.255 ( 3.306 1.748 -1.484) 4.023 7.452 ( -3.203 -6.793 -5.337) 9.213 8.468 ( 0.254 -0.601 9.377) 9.400 8.844 ( 1.245 -2.812 -5.400) 6.214 9.107 ( 7.739 -5.635 2.694) 9.945 9.232 ( 7.100 -5.325 -1.975) 9.092 9.403 ( 0.528 -3.448 0.775) 3.574 9.444 ( 0.781 -2.334 -0.742) 2.571 9.961 ( -10.079 20.201 0.670) 22.586 9.997 ( -10.041 19.841 -0.660) 22.246 13.116 ( 8.225 -14.919 1.293) 17.085 13.188 ( 8.045 -16.401 -1.314) 18.315======================= Grid point 507 (79/132) =======================q-point: ( 0.20 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 4.864 8.424 1.354) 9.821 2.302 ( 5.662 9.806 -1.974) 11.494 2.392 ( 6.377 11.045 0.746) 12.775 2.470 ( 3.244 5.619 -3.463) 7.355 2.713 ( 0.412 0.714 7.240) 7.287 3.018 ( 1.612 2.792 -5.333) 6.232 4.353 ( 11.873 20.565 11.066) 26.199 5.023 ( 12.320 21.340 -15.393) 29.053 5.930 ( 9.175 15.891 9.761) 20.784 5.944 ( 0.813 1.408 8.512) 8.666 6.279 ( 8.046 13.936 -4.260) 16.646 6.445 ( 3.898 6.751 -9.318) 12.149 7.099 ( 9.086 15.738 4.621) 18.751 7.374 ( 9.941 17.218 -5.918) 20.743 8.120 ( 5.588 9.678 5.446) 12.431 8.396 ( 3.751 6.497 -6.079) 9.656 8.811 ( -4.674 -8.096 8.088) 12.361 9.138 ( -5.409 -9.368 -4.936) 11.890 9.531 ( 2.612 4.524 0.689) 5.269 9.566 ( 3.437 5.953 -0.563) 6.897 10.083 ( -5.632 -9.756 3.354) 11.754 10.260 ( -7.582 -13.133 -3.096) 15.477 13.066 ( -1.406 -2.436 3.998) 4.889 13.283 ( -3.189 -5.523 -3.831) 7.440======================= Grid point 508 (80/132) =======================q-point: ( 0.25 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.370 ( 3.565 8.755 2.042) 9.671 2.470 ( 2.580 10.031 -1.533) 10.471 2.549 ( 1.449 2.086 0.210) 2.549 2.583 ( 4.923 7.413 -0.958) 8.950 2.773 ( 3.660 4.347 4.661) 7.350 3.067 ( 2.055 1.091 -6.408) 6.818 4.727 ( 8.760 19.765 11.126) 24.315 5.403 ( 7.629 21.138 -15.716) 27.423 5.936 ( -4.519 6.115 9.720) 12.340 6.239 ( 7.711 13.391 7.056) 16.987 6.456 ( -3.184 15.827 -4.562) 16.776 6.653 ( 12.589 5.353 -7.656) 15.676 7.294 ( 1.657 4.273 5.593) 7.230 7.624 ( 3.359 9.066 -6.916) 11.887 8.319 ( 8.419 4.847 5.047) 10.948 8.526 ( 6.979 0.958 -3.273) 7.768 8.716 ( 1.218 -2.604 6.207) 6.840 8.994 ( -2.539 -5.392 -4.280) 7.337 9.538 ( -2.068 -3.046 0.492) 3.714 9.564 ( -3.295 -4.991 -0.443) 5.997 10.047 ( 0.090 10.343 1.914) 10.519 10.152 ( -2.352 7.045 -1.891) 7.665 12.999 ( -0.198 -8.262 2.871) 8.749 13.156 ( -1.835 -11.341 -2.791) 11.822======================= Grid point 509 (81/132) =======================q-point: ( 0.30 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.498 ( 1.172 8.205 1.767) 8.474 2.582 ( 1.003 3.660 1.568) 4.106 2.585 ( -0.447 7.700 -0.542) 7.732 2.701 ( 2.739 3.461 -2.008) 4.849 2.897 ( 4.704 5.009 2.617) 7.353 3.110 ( 2.148 0.262 -5.366) 5.786 5.042 ( 5.744 19.346 10.557) 22.775 5.694 ( 2.132 20.752 -14.687) 25.513 5.909 ( -5.751 6.459 8.902) 12.411 6.396 ( -3.336 9.939 -6.119) 12.139 6.590 ( 1.253 16.495 6.180) 17.659 6.916 ( 10.473 6.782 -6.459) 14.050 7.258 ( -4.787 -3.434 7.800) 9.775 7.667 ( -5.146 4.292 -8.075) 10.493 8.440 ( 2.266 0.995 6.943) 7.371 8.671 ( 10.745 -2.340 -1.164) 11.058 8.795 ( 7.597 -1.411 1.588) 7.888 8.960 ( 3.552 -2.453 -3.228) 5.390 9.445 ( -2.968 -5.882 0.273) 6.594 9.459 ( -1.839 -3.990 -0.251) 4.400 10.194 ( -1.875 19.605 0.947) 19.717 10.247 ( -2.974 18.241 -0.958) 18.507 12.905 ( 2.429 -14.127 1.867) 14.456 13.008 ( 1.085 -16.723 -1.843) 16.859======================= Grid point 510 (82/132) =======================q-point: ( 0.35 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.561 ( -0.601 4.423 0.424) 4.483 2.630 ( -1.063 6.083 1.241) 6.298 2.642 ( -1.870 7.201 0.198) 7.442 2.753 ( 0.855 1.446 -2.089) 2.681 3.014 ( 3.635 3.651 1.610) 5.397 3.137 ( 1.000 -0.775 -2.938) 3.199 5.296 ( 1.340 19.175 9.339) 21.371 5.815 ( -7.991 10.332 5.808) 14.295 5.931 ( -2.136 15.298 -11.431) 19.216 6.385 ( -5.963 6.467 -11.406) 14.404 6.772 ( 0.458 16.288 10.259) 19.256 7.074 ( -4.685 0.938 4.965) 6.890 7.173 ( 6.440 -0.730 -1.024) 6.562 7.573 ( -10.151 5.115 -8.878) 14.423 8.462 ( 0.205 0.445 7.746) 7.762 8.773 ( 4.384 -3.768 -4.701) 7.451 8.906 ( 8.580 -4.296 3.099) 10.083 9.043 ( 8.225 -4.944 -2.167) 9.838 9.364 ( -0.590 -4.332 0.876) 4.459 9.411 ( 0.044 -2.815 -0.834) 2.936 10.334 ( -7.282 23.528 0.614) 24.637 10.368 ( -7.490 22.947 -0.602) 24.146 12.818 ( 6.546 -18.357 1.139) 19.522 12.881 ( 5.890 -20.156 -1.144) 21.030======================= Grid point 511 (83/132) =======================q-point: ( 0.40 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( -1.603 2.776 -0.041) 3.206 2.647 ( -3.883 6.726 -1.729) 7.957 2.666 ( -3.123 5.410 2.780) 6.837 2.766 ( -0.445 0.771 -1.806) 2.013 3.072 ( -0.635 1.099 0.827) 1.515 3.134 ( 0.770 -1.334 -1.343) 2.043 5.419 ( -9.158 15.862 8.379) 20.141 5.774 ( -4.512 7.814 9.274) 12.939 6.003 ( -9.098 15.758 -14.386) 23.196 6.358 ( -3.282 5.685 -12.732) 14.325 6.907 ( -11.851 20.526 13.218) 27.138 6.958 ( 3.589 -6.217 7.990) 10.741 7.279 ( 4.292 -7.433 -4.357) 9.626 7.482 ( -8.277 14.335 -9.984) 19.331 8.465 ( -0.131 0.227 7.797) 7.802 8.786 ( 1.990 -3.447 -5.112) 6.479 8.964 ( 4.804 -8.320 3.126) 10.103 9.093 ( 4.924 -8.529 -1.968) 10.044 9.338 ( 1.753 -3.035 1.144) 3.687 9.399 ( 1.282 -2.221 -1.065) 2.777 10.391 ( -13.261 22.969 0.544) 26.528 10.420 ( -13.062 22.625 -0.529) 26.130 12.781 ( 10.810 -18.724 0.866) 21.638 12.829 ( 11.354 -19.666 -0.877) 22.725======================= Grid point 529 (84/132) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.529 ( 3.714 6.433 2.242) 7.759 2.581 ( 1.451 2.513 2.300) 3.703 2.643 ( 3.980 6.893 -1.825) 8.166 2.695 ( 2.517 4.360 -1.832) 5.357 2.878 ( 3.316 5.743 2.614) 7.128 3.091 ( 0.774 1.341 -5.365) 5.584 5.087 ( 9.797 16.969 11.182) 22.560 5.778 ( 9.746 16.881 -16.042) 25.245 6.008 ( 1.050 1.818 9.713) 9.937 6.467 ( 4.329 7.499 -1.598) 8.805 6.719 ( 5.075 8.790 -3.824) 10.846 6.786 ( 6.043 10.466 -2.098) 12.266 7.303 ( -1.420 -2.459 9.386) 9.806 7.754 ( 2.285 3.958 -7.984) 9.200 8.425 ( 3.088 5.348 3.827) 7.265 8.543 ( 0.850 1.472 0.406) 1.748 8.712 ( 1.075 1.862 2.897) 3.608 8.923 ( -1.165 -2.018 -3.687) 4.362 9.441 ( -3.548 -6.145 0.274) 7.101 9.455 ( -2.407 -4.169 -0.239) 4.820 10.315 ( 8.827 15.289 0.996) 17.682 10.371 ( 7.828 13.559 -1.017) 15.690 12.808 ( -6.320 -10.947 1.845) 12.774 12.909 ( -7.779 -13.473 -1.808) 15.662======================= Grid point 530 (85/132) =======================q-point: ( 0.30 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.584 ( 0.599 1.702 0.817) 1.981 2.687 ( 2.237 7.566 3.028) 8.451 2.710 ( 0.118 1.547 -3.409) 3.745 2.785 ( 0.880 6.762 -0.490) 6.836 2.985 ( 3.578 3.640 1.735) 5.391 3.113 ( 0.890 -0.072 -2.966) 3.097 5.396 ( 7.063 16.664 10.318) 20.834 6.009 ( -4.484 4.936 8.575) 10.863 6.066 ( 4.895 15.537 -15.758) 22.664 6.510 ( -3.013 1.047 -9.617) 10.133 6.837 ( -0.013 6.827 3.469) 7.658 6.996 ( 9.846 0.632 -3.076) 10.334 7.259 ( -4.218 6.298 13.041) 15.084 7.789 ( -4.387 7.978 -8.500) 12.456 8.481 ( -1.114 2.720 4.367) 5.264 8.610 ( 7.552 -3.891 -0.178) 8.498 8.772 ( 4.542 -0.687 1.459) 4.820 8.907 ( 2.049 -3.053 -2.692) 4.557 9.341 ( -1.912 -4.547 0.927) 5.018 9.391 ( -1.026 -2.860 -0.885) 3.165 10.612 ( 3.308 22.465 0.584) 22.714 10.644 ( 2.896 21.677 -0.581) 21.877 12.585 ( -2.242 -18.216 1.071) 18.385 12.644 ( -3.177 -20.039 -1.060) 20.317======================= Grid point 531 (86/132) =======================q-point: ( 0.35 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 800Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.607 ( -0.061 1.672 -0.141) 1.680 2.706 ( -0.303 -0.272 -3.862) 3.883 2.777 ( -1.142 7.341 2.714) 7.909 2.835 ( -2.495 6.228 0.549) 6.732 3.066 ( 2.818 1.457 0.743) 3.259 3.112 ( -0.157 -1.777 -0.755) 1.938 5.640 ( 1.671 15.382 9.107) 17.954 5.942 ( -8.085 5.141 7.834) 12.376 6.259 ( -0.491 14.946 -15.273) 21.375 6.433 ( -4.081 -1.911 -11.389) 12.248 6.856 ( 0.940 -2.284 7.183) 7.596 7.110 ( 6.672 -6.100 -3.591) 9.727 7.285 ( -7.976 17.311 12.442) 22.762 7.784 ( -8.390 13.908 -8.228) 18.208 8.476 ( -0.793 0.642 5.164) 5.264 8.675 ( 5.737 -6.692 -2.647) 9.203 8.828 ( 3.598 -2.892 1.756) 4.939 8.922 ( 4.879 -6.907 -1.648) 8.616 9.288 ( 0.280 -3.242 1.377) 3.533 9.362 ( 0.406 -2.130 -1.286) 2.521 10.826 ( -7.708 26.157 0.435) 27.272 10.850 ( -7.665 25.745 -0.424) 26.865 12.412 ( 6.960 -22.675 0.634) 23.727 12.447 ( 6.815 -23.731 -0.635) 24.698======================= Grid point 550 (87/132) =======================q-point: ( 0.30 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.616 ( 0.965 1.671 -0.443) 1.979 2.703 ( -0.697 -1.208 -3.572) 3.835 2.826 ( 3.455 5.984 3.094) 7.571 2.902 ( 2.392 4.142 0.171) 4.786 3.035 ( 0.935 1.620 1.260) 2.255 3.104 ( -0.533 -0.922 -1.050) 1.496 5.695 ( 7.709 13.352 9.231) 17.969 6.069 ( 0.759 1.315 6.971) 7.135 6.302 ( 3.170 5.490 -14.055) 15.419 6.468 ( -0.873 -1.513 -7.642) 7.839 6.885 ( -0.512 -0.886 0.567) 1.170 6.973 ( -0.603 -1.045 -1.809) 2.174 7.455 ( 5.868 10.163 12.992) 17.507 7.949 ( 4.149 7.186 -7.359) 11.090 8.525 ( -0.189 -0.327 1.008) 1.077 8.525 ( -1.448 -2.507 0.898) 3.031 8.773 ( 0.458 0.793 1.133) 1.457 8.846 ( -1.644 -2.848 -1.418) 3.581 9.269 ( -1.521 -2.634 1.457) 3.373 9.347 ( -0.902 -1.562 -1.368) 2.264 11.056 ( 12.484 21.622 0.383) 24.970 11.077 ( 12.282 21.273 -0.376) 24.566 12.207 ( -11.146 -19.305 0.573) 22.299 12.238 ( -11.706 -20.275 -0.567) 23.418======================= Grid point 551 (88/132) =======================q-point: ( 0.35 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.640 ( -0.923 1.599 -1.411) 2.324 2.683 ( 0.857 -1.484 -3.031) 3.482 2.900 ( -2.568 4.449 2.661) 5.785 2.933 ( -1.730 2.997 1.329) 3.707 3.057 ( 1.182 -2.048 0.747) 2.480 3.086 ( 0.221 -0.384 -0.518) 0.682 5.862 ( -3.275 5.673 9.286) 11.363 6.065 ( -4.702 8.144 4.017) 10.226 6.293 ( 5.018 -8.691 -3.571) 10.652 6.505 ( -3.945 6.833 -15.556) 17.443 6.855 ( -1.468 2.542 1.638) 3.362 6.971 ( 4.043 -7.003 -2.602) 8.494 7.568 ( -5.188 8.985 12.667) 16.374 8.027 ( -4.931 8.541 -6.487) 11.805 8.477 ( 0.054 -0.094 1.225) 1.229 8.534 ( 3.514 -6.087 -1.196) 7.129 8.795 ( 0.569 -0.985 0.616) 1.293 8.805 ( 2.021 -3.501 0.103) 4.044 9.242 ( 0.732 -1.269 1.672) 2.223 9.331 ( 0.484 -0.839 -1.557) 1.834 11.337 ( -13.896 24.069 0.333) 27.795 11.355 ( -13.821 23.939 -0.327) 27.644 11.948 ( 13.182 -22.832 0.388) 26.367 11.970 ( 13.392 -23.196 -0.382) 26.787======================= Grid point 842 (89/132) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.322 ( 0.000 0.000 -8.321) 8.321 0.322 ( -0.000 0.000 -8.321) 8.321 0.322 ( 0.000 0.000 8.321) 8.321 0.322 ( -0.000 0.000 8.321) 8.321 1.912 ( 0.000 -0.000 -20.163) 20.163 1.912 ( -0.000 -0.000 -20.163) 20.163 1.912 ( 0.000 0.000 20.163) 20.163 1.912 ( 0.000 -0.000 20.163) 20.163 2.242 ( 0.000 0.000 -45.234) 45.234 2.242 ( 0.000 0.000 45.234) 45.234 4.800 ( -0.000 0.000 -8.943) 8.943 4.800 ( 0.000 -0.000 -8.943) 8.943 4.800 ( -0.000 0.000 8.943) 8.943 4.800 ( 0.000 -0.000 8.943) 8.943 8.483 ( 0.000 0.000 -26.303) 26.303 8.483 ( 0.000 0.000 26.303) 26.303 8.778 ( 0.000 0.000 -1.119) 1.119 8.778 ( -0.000 0.000 -1.119) 1.119 8.778 ( 0.000 0.000 1.119) 1.119 8.778 ( 0.000 -0.000 1.119) 1.119 11.605 ( 0.000 0.000 -11.273) 11.273 11.605 ( 0.000 0.000 11.273) 11.273 16.945 ( 0.000 0.000 -0.320) 0.320 16.945 ( 0.000 0.000 0.320) 0.320======================= Grid point 844 (90/132) =======================q-point: ( 0.05 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( 17.119 9.884 -6.152) 20.702 0.585 ( 17.119 9.884 6.152) 20.702 0.881 ( 27.633 15.954 -7.856) 32.861 0.881 ( 27.633 15.954 7.856) 32.861 1.990 ( 6.883 3.974 -20.239) 21.744 1.990 ( 6.883 3.974 20.239) 21.744 2.244 ( 1.752 1.012 -37.942) 37.996 2.244 ( 1.752 1.012 37.942) 37.996 2.355 ( 33.745 19.483 -18.946) 43.327 2.355 ( 33.745 19.483 18.946) 43.327 4.825 ( 2.229 1.287 -9.044) 9.403 4.825 ( 2.229 1.287 9.044) 9.403 4.923 ( 10.391 5.999 -8.542) 14.729 4.923 ( 10.391 5.999 8.542) 14.729 8.113 ( -16.723 -9.655 -2.901) 19.527 8.113 ( -16.723 -9.655 2.901) 19.527 8.791 ( 1.188 0.686 -1.144) 1.786 8.791 ( 1.188 0.686 1.144) 1.786 9.207 ( 20.308 11.725 -23.486) 33.189 9.207 ( 20.308 11.725 23.486) 33.189 11.751 ( 12.110 6.992 -8.701) 16.470 11.751 ( 12.110 6.992 8.701) 16.470 16.237 ( -54.335 -31.371 -18.965) 65.545 16.237 ( -54.335 -31.371 18.965) 65.545======================= Grid point 846 (91/132) =======================q-point: ( 0.10 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 321Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 15.624 9.021 -5.246) 18.789 0.967 ( 15.624 9.021 5.246) 18.789 1.379 ( 16.354 9.442 -9.883) 21.314 1.379 ( 16.354 9.442 9.883) 21.314 2.223 ( 13.498 7.793 -19.798) 25.197 2.223 ( 13.498 7.793 19.798) 25.197 2.308 ( 5.111 2.951 -31.921) 32.462 2.308 ( 5.111 2.951 31.921) 32.462 3.282 ( 44.317 25.587 -19.410) 54.731 3.282 ( 44.317 25.587 19.410) 54.731 4.898 ( 4.053 2.340 -9.328) 10.437 4.898 ( 4.053 2.340 9.328) 10.437 5.238 ( 16.411 9.475 -7.524) 20.389 5.238 ( 16.411 9.475 7.524) 20.389 7.826 ( -8.752 -5.053 -5.448) 11.480 7.826 ( -8.752 -5.053 5.448) 11.480 8.831 ( 2.279 1.316 -1.190) 2.888 8.831 ( 2.279 1.316 1.190) 2.888 9.537 ( 8.689 5.016 -25.244) 27.164 9.537 ( 8.689 5.016 25.244) 27.164 12.086 ( 15.402 8.892 -4.647) 18.382 12.086 ( 15.402 8.892 4.647) 18.382 14.869 ( -60.411 -34.878 -30.909) 76.297 14.869 ( -60.411 -34.878 30.909) 76.297======================= Grid point 848 (92/132) =======================q-point: ( 0.15 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 12.237 7.065 -4.009) 14.688 1.282 ( 12.237 7.065 4.009) 14.688 1.654 ( 8.938 5.161 -15.151) 18.332 1.654 ( 8.938 5.161 15.151) 18.332 2.476 ( 9.054 5.227 -17.069) 20.016 2.476 ( 9.054 5.227 17.069) 20.016 2.586 ( 17.932 10.353 -18.354) 27.669 2.586 ( 17.932 10.353 18.354) 27.669 4.296 ( 44.190 25.513 -14.136) 52.949 4.296 ( 44.190 25.513 14.136) 52.949 5.005 ( 5.226 3.018 -9.732) 11.452 5.005 ( 5.226 3.018 9.732) 11.452 5.622 ( 16.565 9.564 -6.283) 20.132 5.622 ( 16.565 9.564 6.283) 20.132 7.709 ( -1.426 -0.823 -8.530) 8.687 7.709 ( -1.426 -0.823 8.530) 8.687 8.893 ( 3.172 1.831 -1.204) 3.855 8.893 ( 3.172 1.831 1.204) 3.855 9.630 ( 0.209 0.121 -19.767) 19.768 9.630 ( 0.209 0.121 19.767) 19.768 12.334 ( 2.307 1.332 -9.489) 9.856 12.334 ( 2.307 1.332 9.489) 9.856 13.664 ( -41.574 -24.002 -17.856) 51.218 13.664 ( -41.574 -24.002 17.856) 51.218======================= Grid point 850 (93/132) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 321Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( 9.779 5.646 -2.783) 11.630 1.531 ( 9.779 5.646 2.783) 11.630 1.832 ( 7.516 4.340 -15.521) 17.783 1.832 ( 7.516 4.340 15.521) 17.783 2.682 ( 8.366 4.830 -5.967) 11.355 2.682 ( 8.366 4.830 5.967) 11.355 3.013 ( 19.218 11.096 -16.797) 27.832 3.013 ( 19.218 11.096 16.797) 27.832 5.130 ( 5.699 3.290 -10.146) 12.093 5.130 ( 5.699 3.290 10.146) 12.093 5.251 ( 38.738 22.366 -10.482) 45.943 5.251 ( 38.738 22.366 10.482) 45.943 5.965 ( 13.882 8.015 -5.336) 16.894 5.965 ( 13.882 8.015 5.336) 16.894 7.769 ( 6.699 3.868 -9.531) 12.275 7.769 ( 6.699 3.868 9.531) 12.275 8.973 ( 3.759 2.170 -1.153) 4.491 8.973 ( 3.759 2.170 1.153) 4.491 9.573 ( -4.843 -2.796 -14.355) 15.406 9.573 ( -4.843 -2.796 14.355) 15.406 11.955 ( -33.038 -19.075 -20.350) 43.238 11.955 ( -33.038 -19.075 20.350) 43.238 13.211 ( -1.050 -0.606 -9.249) 9.328 13.211 ( -1.050 -0.606 9.249) 9.328======================= Grid point 852 (94/132) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( 7.999 4.618 -1.988) 9.448 1.732 ( 7.999 4.618 1.988) 9.448 2.013 ( 8.509 4.912 -11.301) 14.975 2.013 ( 8.509 4.912 11.301) 14.975 2.839 ( 5.390 3.112 -1.118) 6.324 2.839 ( 5.390 3.112 1.118) 6.324 3.441 ( 18.241 10.532 -15.651) 26.241 3.441 ( 18.241 10.532 15.651) 26.241 5.259 ( 5.554 3.207 -10.410) 12.227 5.259 ( 5.554 3.207 10.410) 12.227 5.923 ( 16.678 9.629 -8.463) 21.035 5.923 ( 16.678 9.629 8.463) 21.035 6.365 ( 25.044 14.459 -4.262) 29.231 6.365 ( 25.044 14.459 4.262) 29.231 8.000 ( 13.119 7.574 -8.768) 17.503 8.000 ( 13.119 7.574 8.768) 17.503 9.061 ( 3.950 2.281 -1.053) 4.681 9.061 ( 3.950 2.281 1.053) 4.681 9.425 ( -7.820 -4.515 -10.539) 13.878 9.425 ( -7.820 -4.515 10.539) 13.878 11.150 ( -34.567 -19.957 -12.474) 41.818 11.150 ( -34.567 -19.957 12.474) 41.818 13.303 ( 5.952 3.436 -9.644) 11.842 13.303 ( 5.952 3.436 9.644) 11.842======================= Grid point 854 (95/132) =======================q-point: ( 0.30 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 321Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 6.417 3.705 -1.494) 7.559 1.895 ( 6.417 3.705 1.494) 7.559 2.217 ( 9.287 5.362 -6.174) 12.374 2.217 ( 9.287 5.362 6.174) 12.374 2.928 ( 2.619 1.512 -5.781) 6.524 2.928 ( 2.619 1.512 5.781) 6.524 3.831 ( 15.918 9.190 -14.743) 23.563 3.831 ( 15.918 9.190 14.743) 23.563 5.378 ( 4.920 2.841 -10.335) 11.793 5.378 ( 4.920 2.841 10.335) 11.793 6.133 ( 5.581 3.222 -12.582) 14.137 6.133 ( 5.581 3.222 12.582) 14.137 6.974 ( 24.615 14.211 -6.452) 29.146 6.974 ( 24.615 14.211 6.452) 29.146 8.335 ( 15.774 9.107 -6.874) 19.468 8.335 ( 15.774 9.107 6.874) 19.468 9.149 ( 3.711 2.143 -0.952) 4.390 9.149 ( 3.711 2.143 0.952) 4.390 9.235 ( -8.486 -4.900 -8.344) 12.871 9.235 ( -8.486 -4.900 8.344) 12.871 10.443 ( -27.176 -15.690 -5.549) 31.867 10.443 ( -27.176 -15.690 5.549) 31.867 13.431 ( 5.031 2.905 -8.233) 10.076 13.431 ( 5.031 2.905 8.233) 10.076======================= Grid point 856 (96/132) =======================q-point: ( 0.35 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 4.846 2.798 -1.126) 5.707 2.023 ( 4.846 2.798 1.126) 5.707 2.423 ( 8.576 4.951 -2.101) 10.123 2.423 ( 8.576 4.951 2.101) 10.123 2.970 ( 1.318 0.761 -8.410) 8.547 2.970 ( 1.318 0.761 8.410) 8.547 4.157 ( 12.731 7.350 -13.800) 20.163 4.157 ( 12.731 7.350 13.800) 20.163 5.479 ( 3.925 2.266 -9.756) 10.758 5.479 ( 3.925 2.266 9.756) 10.758 6.238 ( 4.032 2.328 -16.706) 17.343 6.238 ( 4.032 2.328 16.706) 17.343 7.405 ( 12.722 7.345 -6.521) 16.072 7.405 ( 12.722 7.345 6.521) 16.072 8.689 ( 14.342 8.280 -5.489) 17.446 8.689 ( 14.342 8.280 5.489) 17.446 9.068 ( -5.148 -2.972 -6.865) 9.081 9.068 ( -5.148 -2.972 6.865) 9.081 9.227 ( 3.089 1.783 -0.898) 3.678 9.227 ( 3.089 1.783 0.898) 3.678 9.929 ( -17.915 -10.343 -1.502) 20.740 9.929 ( -17.915 -10.343 1.502) 20.740 13.527 ( 3.434 1.982 -6.471) 7.589 13.527 ( 3.434 1.982 6.471) 7.589======================= Grid point 858 (97/132) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 321Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 3.246 1.874 -0.826) 3.838 2.115 ( 3.246 1.874 0.826) 3.838 2.589 ( 5.733 3.310 -1.108) 6.712 2.589 ( 5.733 3.310 1.108) 6.712 3.002 ( 1.725 0.996 -8.406) 8.639 3.002 ( 1.725 0.996 8.406) 8.639 4.404 ( 8.909 5.143 -12.712) 16.353 4.404 ( 8.909 5.143 12.712) 16.353 5.555 ( 2.697 1.557 -8.639) 9.183 5.555 ( 2.697 1.557 8.639) 9.183 6.322 ( 3.309 1.911 -19.934) 20.297 6.322 ( 3.309 1.911 19.934) 20.297 7.558 ( 1.695 0.979 -6.046) 6.355 7.558 ( 1.695 0.979 6.046) 6.355 8.844 ( -1.649 -0.952 -10.374) 10.547 8.844 ( -1.649 -0.952 10.374) 10.547 9.124 ( 10.310 5.952 -3.081) 12.297 9.124 ( 10.310 5.952 3.081) 12.297 9.287 ( 2.188 1.264 -0.901) 2.683 9.287 ( 2.188 1.264 0.901) 2.683 9.633 ( -8.382 -4.839 -0.118) 9.679 9.633 ( -8.382 -4.839 0.118) 9.679 13.588 ( 1.991 1.149 -4.641) 5.179 13.588 ( 1.991 1.149 4.641) 5.179======================= Grid point 860 (98/132) =======================q-point: ( 0.45 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.170 ( 1.626 0.939 -0.615) 1.976 2.170 ( 1.626 0.939 0.615) 1.976 2.678 ( 2.193 1.266 -3.082) 3.989 2.678 ( 2.193 1.266 3.082) 3.989 3.047 ( 1.936 1.118 -6.064) 6.463 3.047 ( 1.936 1.118 6.064) 6.463 4.558 ( 4.599 2.655 -11.681) 12.832 4.558 ( 4.599 2.655 11.681) 12.832 5.601 ( 1.360 0.785 -7.297) 7.464 5.601 ( 1.360 0.785 7.297) 7.464 6.384 ( 2.041 1.178 -21.575) 21.704 6.384 ( 2.041 1.178 21.575) 21.704 7.540 ( -1.962 -1.133 -5.609) 6.050 7.540 ( -1.962 -1.133 5.609) 6.050 8.778 ( -2.765 -1.596 -10.702) 11.168 8.778 ( -2.765 -1.596 10.702) 11.168 9.325 ( 1.128 0.651 -0.934) 1.603 9.325 ( 1.128 0.651 0.934) 1.603 9.344 ( 7.388 4.265 -2.927) 9.019 9.344 ( 7.388 4.265 2.927) 9.019 9.522 ( -2.178 -1.258 -0.183) 2.522 9.522 ( -2.178 -1.258 0.183) 2.522 13.620 ( 0.868 0.501 -3.211) 3.364 13.620 ( 0.868 0.501 3.211) 3.364======================= Grid point 862 (99/132) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.189 ( 0.000 0.000 -0.538) 0.538 2.189 ( 0.000 0.000 0.538) 0.538 2.700 ( 0.000 0.000 -3.802) 3.802 2.700 ( 0.000 0.000 3.802) 3.802 3.072 ( 0.000 0.000 -4.425) 4.425 3.072 ( 0.000 0.000 4.425) 4.425 4.611 ( 0.000 0.000 -11.227) 11.227 4.611 ( 0.000 0.000 11.227) 11.227 5.616 ( 0.000 0.000 -6.622) 6.622 5.616 ( 0.000 0.000 6.622) 6.622 6.408 ( 0.000 0.000 -21.908) 21.908 6.408 ( 0.000 0.000 21.908) 21.908 7.512 ( 0.000 0.000 -5.250) 5.250 7.512 ( 0.000 0.000 5.250) 5.250 8.744 ( 0.000 0.000 -10.478) 10.478 8.744 ( 0.000 0.000 10.478) 10.478 9.338 ( 0.000 0.000 -0.951) 0.951 9.338 ( 0.000 0.000 0.951) 0.951 9.431 ( 0.000 0.000 -2.889) 2.889 9.431 ( -0.000 -0.000 2.889) 2.889 9.502 ( 0.000 0.000 -0.535) 0.535 9.502 ( 0.000 0.000 0.535) 0.535 13.630 ( 0.000 0.000 -2.665) 2.665 13.630 ( 0.000 0.000 2.665) 2.665======================= Grid point 886 (100/132) =======================q-point: ( 0.05 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 10.120 17.529 -5.620) 21.006 0.889 ( 10.120 17.529 5.620) 21.006 1.256 ( 10.657 18.458 -8.647) 23.001 1.256 ( 10.657 18.458 8.647) 23.001 2.152 ( 7.074 12.253 -20.243) 24.697 2.152 ( 7.074 12.253 20.243) 24.697 2.282 ( 2.245 3.888 -35.044) 35.331 2.282 ( 2.245 3.888 35.044) 35.331 3.010 ( 24.718 42.812 -20.763) 53.618 3.010 ( 24.718 42.812 20.763) 53.618 4.882 ( 2.499 4.328 -9.291) 10.549 4.882 ( 2.499 4.328 9.291) 10.549 5.134 ( 8.522 14.760 -7.789) 18.739 5.134 ( 8.522 14.760 7.789) 18.739 7.884 ( -6.266 -10.853 -3.999) 13.155 7.884 ( -6.266 -10.853 3.999) 13.155 8.820 ( 1.287 2.229 -1.174) 2.829 8.820 ( 1.287 2.229 1.174) 2.829 9.475 ( 6.742 11.678 -26.042) 29.326 9.475 ( 6.742 11.678 26.042) 29.326 11.991 ( 9.086 15.737 -5.373) 18.950 11.991 ( 9.086 15.737 5.373) 18.950 15.241 ( -35.751 -61.922 -30.393) 77.693 15.241 ( -35.751 -61.922 30.393) 77.693======================= Grid point 888 (101/132) =======================q-point: ( 0.10 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( 8.956 13.772 -4.547) 17.046 1.209 ( 8.956 13.772 4.547) 17.046 1.556 ( 9.112 8.247 -12.909) 17.823 1.556 ( 9.112 8.247 12.909) 17.823 2.390 ( 7.043 6.873 -22.425) 24.489 2.390 ( 7.043 6.873 22.425) 24.489 2.481 ( 11.426 16.520 -18.998) 27.647 2.481 ( 11.426 16.520 18.998) 27.647 3.925 ( 34.114 37.866 -15.786) 53.356 3.925 ( 34.114 37.866 15.786) 53.356 4.987 ( 3.324 6.608 -9.649) 12.158 4.987 ( 3.324 6.608 9.649) 12.158 5.468 ( 13.369 13.182 -6.654) 19.919 5.468 ( 13.369 13.182 6.654) 19.919 7.727 ( -3.112 -4.079 -7.753) 9.297 7.727 ( -3.112 -4.079 7.753) 9.297 8.877 ( 2.126 3.417 -1.188) 4.196 8.877 ( 2.126 3.417 1.188) 4.196 9.617 ( 2.091 2.215 -21.951) 22.161 9.617 ( 2.091 2.215 21.951) 22.161 12.283 ( 7.643 8.946 -5.706) 13.077 12.283 ( 7.643 8.946 5.706) 13.077 14.037 ( -38.843 -45.217 -24.902) 64.602 14.037 ( -38.843 -45.217 24.902) 64.602======================= Grid point 890 (102/132) =======================q-point: ( 0.15 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.466 ( 7.365 10.764 -3.135) 13.414 1.466 ( 7.365 10.764 3.135) 13.414 1.753 ( 7.205 5.287 -15.547) 17.932 1.753 ( 7.205 5.287 15.547) 17.932 2.588 ( 8.218 6.136 -10.090) 14.387 2.588 ( 8.218 6.136 10.090) 14.387 2.885 ( 14.185 19.279 -17.241) 29.498 2.885 ( 14.185 19.279 17.241) 29.498 4.870 ( 35.555 31.656 -11.527) 48.981 4.870 ( 35.555 31.656 11.527) 48.981 5.119 ( 3.271 8.558 -9.970) 13.541 5.119 ( 3.271 8.558 9.970) 13.541 5.812 ( 13.422 9.295 -5.678) 17.286 5.812 ( 13.422 9.295 5.678) 17.286 7.710 ( 3.067 1.313 -9.387) 9.962 7.710 ( 3.067 1.313 9.387) 9.962 8.958 ( 2.499 4.742 -1.143) 5.481 8.958 ( 2.499 4.742 1.143) 5.481 9.606 ( -2.514 -2.752 -16.411) 16.829 9.606 ( -2.514 -2.752 16.411) 16.829 12.220 ( -18.412 -16.102 -19.266) 31.136 12.220 ( -18.412 -16.102 19.266) 31.136 13.254 ( -11.504 -13.382 -5.597) 18.514 13.254 ( -11.504 -13.382 5.597) 18.514======================= Grid point 892 (103/132) =======================q-point: ( 0.20 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( 6.237 8.896 -2.156) 11.077 1.678 ( 6.237 8.896 2.156) 11.077 1.929 ( 7.478 5.780 -12.892) 15.985 1.929 ( 7.478 5.780 12.892) 15.985 2.767 ( 6.623 3.763 -1.790) 7.825 2.767 ( 6.623 3.763 1.790) 7.825 3.320 ( 13.987 19.567 -16.109) 28.948 3.320 ( 13.987 19.567 16.109) 28.948 5.258 ( 2.575 9.650 -10.211) 14.284 5.258 ( 2.575 9.650 10.211) 14.284 5.696 ( 26.446 21.205 -7.947) 34.816 5.696 ( 26.446 21.205 7.947) 34.816 6.130 ( 16.639 9.792 -4.025) 19.721 6.130 ( 16.639 9.792 4.025) 19.721 7.860 ( 10.293 5.300 -9.393) 14.909 7.860 ( 10.293 5.300 9.393) 14.909 9.053 ( 2.359 5.998 -1.044) 6.529 9.053 ( 2.359 5.998 1.044) 6.529 9.491 ( -5.802 -5.500 -11.997) 14.417 9.491 ( -5.802 -5.500 11.997) 14.417 11.502 ( -32.410 -25.775 -16.431) 44.550 11.502 ( -32.410 -25.775 16.431) 44.550 13.223 ( 5.667 1.323 -9.631) 11.253 13.223 ( 5.667 1.323 9.631) 11.253======================= Grid point 894 (104/132) =======================q-point: ( 0.25 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.856 ( 5.027 7.795 -1.525) 9.400 1.856 ( 5.027 7.795 1.525) 9.400 2.125 ( 8.292 6.560 -8.095) 13.316 2.125 ( 8.292 6.560 8.095) 13.316 2.883 ( 4.129 1.345 -3.857) 5.808 2.883 ( 4.129 1.345 3.857) 5.808 3.733 ( 12.156 18.675 -15.243) 26.998 3.733 ( 12.156 18.675 15.243) 26.998 5.390 ( 1.526 10.087 -10.280) 14.483 5.390 ( 1.526 10.087 10.280) 14.483 6.071 ( 7.263 6.042 -10.110) 13.837 6.071 ( 7.263 6.042 10.110) 13.837 6.679 ( 26.946 16.608 -5.929) 32.203 6.679 ( 26.946 16.608 5.929) 32.203 8.143 ( 15.267 6.730 -7.933) 18.474 8.143 ( 15.267 6.730 7.933) 18.474 9.151 ( 1.552 6.557 -1.049) 6.820 9.151 ( 1.552 6.557 1.049) 6.820 9.316 ( -7.299 -6.307 -8.987) 13.184 9.316 ( -7.299 -6.307 8.987) 13.184 10.745 ( -28.537 -20.563 -8.452) 36.175 10.745 ( -28.537 -20.563 8.452) 36.175 13.346 ( 6.564 0.767 -8.693) 10.920 13.346 ( 6.564 0.767 8.693) 10.920======================= Grid point 896 (105/132) =======================q-point: ( 0.30 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 3.524 6.997 -1.092) 7.910 2.001 ( 3.524 6.997 1.092) 7.910 2.334 ( 8.362 6.448 -3.619) 11.162 2.334 ( 8.362 6.448 3.619) 11.162 2.942 ( 2.346 -0.007 -7.431) 7.793 2.942 ( 2.346 -0.007 7.431) 7.793 4.094 ( 9.340 17.137 -14.411) 24.261 4.094 ( 9.340 17.137 14.411) 24.261 5.505 ( 0.325 9.759 -10.001) 13.977 5.505 ( 0.325 9.759 10.001) 13.977 6.206 ( 3.856 4.375 -14.399) 15.535 6.206 ( 3.856 4.375 14.399) 15.535 7.217 ( 18.876 10.223 -6.588) 22.454 7.217 ( 18.876 10.223 6.588) 22.454 8.488 ( 16.966 6.358 -5.992) 19.084 8.488 ( 16.966 6.358 5.992) 19.084 9.114 ( -5.795 -6.199 -7.332) 11.215 9.114 ( -5.795 -6.199 7.332) 11.215 9.257 ( 0.080 7.773 -0.992) 7.837 9.257 ( 0.080 7.773 0.992) 7.837 10.147 ( -21.390 -13.953 -3.278) 25.748 10.147 ( -21.390 -13.953 3.278) 25.748 13.450 ( 5.725 -1.179 -7.137) 9.225 13.450 ( 5.725 -1.179 7.137) 9.225======================= Grid point 898 (106/132) =======================q-point: ( 0.35 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.112 ( 1.867 6.194 -0.788) 6.517 2.112 ( 1.867 6.194 0.788) 6.517 2.522 ( 6.709 4.914 -0.634) 8.340 2.522 ( 6.709 4.914 0.634) 8.340 2.976 ( 2.013 0.137 -8.668) 8.900 2.976 ( 2.013 0.137 8.668) 8.900 4.383 ( 5.797 15.271 -13.418) 21.139 4.383 ( 5.797 15.271 13.418) 21.139 5.591 ( -0.858 8.730 -9.305) 12.788 5.591 ( -0.858 8.730 9.305) 12.788 6.305 ( 2.637 4.735 -18.010) 18.808 6.305 ( 2.637 4.735 18.010) 18.808 7.496 ( 7.114 1.969 -6.308) 9.710 7.496 ( 7.114 1.969 6.308) 9.710 8.786 ( 9.156 1.037 -7.448) 11.848 8.786 ( 9.156 1.037 7.448) 11.848 9.024 ( 3.448 -0.478 -4.470) 5.666 9.024 ( 3.448 -0.478 4.470) 5.666 9.332 ( -0.950 8.444 -0.877) 8.542 9.332 ( -0.950 8.444 0.877) 8.542 9.750 ( -12.768 -7.681 -0.640) 14.914 9.750 ( -12.768 -7.681 0.640) 14.914 13.518 ( 4.811 -3.042 -5.344) 7.807 13.518 ( 4.811 -3.042 5.344) 7.807======================= Grid point 900 (107/132) =======================q-point: ( 0.40 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.187 ( 0.197 5.307 -0.563) 5.341 2.187 ( 0.197 5.307 0.563) 5.341 2.645 ( 3.505 2.222 -2.382) 4.785 2.645 ( 3.505 2.222 2.382) 4.785 3.021 ( 2.436 1.149 -7.157) 7.647 3.021 ( 2.436 1.149 7.157) 7.647 4.587 ( 1.609 13.199 -12.298) 18.112 4.587 ( 1.609 13.199 12.298) 18.112 5.647 ( -1.876 7.302 -8.287) 11.203 5.647 ( -1.876 7.302 8.287) 11.203 6.387 ( 1.210 5.014 -20.288) 20.933 6.387 ( 1.210 5.014 20.288) 20.933 7.537 ( -0.004 -2.897 -5.919) 6.590 7.537 ( -0.004 -2.897 5.919) 6.590 8.792 ( -1.428 -3.458 -10.577) 11.219 8.792 ( -1.428 -3.458 10.577) 11.219 9.219 ( 11.198 3.177 -3.011) 12.023 9.219 ( 11.198 3.177 3.011) 12.023 9.387 ( -2.398 8.539 -0.982) 8.923 9.387 ( -2.398 8.539 0.982) 8.923 9.553 ( -4.623 -3.223 -0.073) 5.636 9.553 ( -4.623 -3.223 0.073) 5.636 13.556 ( 4.093 -4.503 -3.691) 7.117 13.556 ( 4.093 -4.503 3.691) 7.117======================= Grid point 902 (108/132) =======================q-point: ( 0.45 0.05 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.224 ( -1.441 4.372 -0.430) 4.624 2.224 ( -1.441 4.372 0.430) 4.624 2.693 ( 1.006 0.274 -3.748) 3.891 2.693 ( 1.006 0.274 3.748) 3.891 3.067 ( 1.150 0.906 -4.671) 4.895 3.067 ( 1.150 0.906 4.671) 4.895 4.693 ( -3.076 10.830 -11.452) 16.059 4.693 ( -3.076 10.830 11.452) 16.059 5.672 ( -2.767 6.045 -7.433) 9.973 5.672 ( -2.767 6.045 7.433) 9.973 6.438 ( -0.979 4.522 -21.047) 21.549 6.438 ( -0.979 4.522 21.047) 21.549 7.496 ( -0.010 -3.261 -5.409) 6.316 7.496 ( -0.010 -3.261 5.409) 6.316 8.743 ( -0.713 -1.723 -10.416) 10.581 8.743 ( -0.713 -1.723 10.416) 10.581 9.368 ( 3.435 0.343 -2.266) 4.130 9.368 ( 3.435 0.343 2.266) 4.130 9.426 ( -2.011 7.264 -1.628) 7.711 9.426 ( -2.011 7.264 1.628) 7.711 9.496 ( -0.334 -1.440 -0.519) 1.567 9.496 ( -0.334 -1.440 0.519) 1.567 13.572 ( 3.547 -5.409 -2.678) 7.001 13.572 ( 3.547 -5.409 2.678) 7.001======================= Grid point 928 (109/132) =======================q-point: ( 0.10 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 321Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 6.908 11.966 -3.095) 14.159 1.465 ( 6.908 11.966 3.095) 14.159 1.711 ( 4.525 7.837 -14.779) 17.329 1.711 ( 4.525 7.837 14.779) 17.329 2.545 ( 4.972 8.612 -12.039) 15.615 2.545 ( 4.972 8.612 12.039) 15.615 2.867 ( 12.594 21.814 -17.429) 30.630 2.867 ( 12.594 21.814 17.429) 30.630 4.714 ( 23.833 41.280 -11.878) 49.123 4.714 ( 23.833 41.280 11.878) 49.123 5.144 ( 5.163 8.943 -9.987) 14.366 5.144 ( 5.163 8.943 9.987) 14.366 5.733 ( 7.690 13.319 -5.746) 16.418 5.733 ( 7.690 13.319 5.746) 16.418 7.691 ( 0.480 0.832 -9.282) 9.332 7.691 ( 0.480 0.832 9.282) 9.332 8.963 ( 2.984 5.168 -1.105) 6.069 8.963 ( 2.984 5.168 1.105) 6.069 9.612 ( -1.516 -2.626 -17.275) 17.539 9.612 ( -1.516 -2.626 17.275) 17.539 12.291 ( -8.096 -14.024 -17.146) 23.584 12.291 ( -8.096 -14.024 17.146) 23.584 13.296 ( -13.479 -23.347 -3.564) 27.193 13.296 ( -13.479 -23.347 3.564) 27.193======================= Grid point 930 (110/132) =======================q-point: ( 0.15 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( 5.464 10.592 -1.791) 12.052 1.680 ( 5.464 10.592 1.791) 12.052 1.875 ( 6.175 7.333 -12.617) 15.846 1.875 ( 6.175 7.333 12.617) 15.846 2.707 ( 5.297 5.649 -3.724) 8.593 2.707 ( 5.297 5.649 3.724) 8.593 3.312 ( 12.971 23.441 -16.496) 31.462 3.312 ( 12.971 23.441 16.496) 31.462 5.325 ( 3.671 12.264 -9.987) 16.237 5.325 ( 3.671 12.264 9.987) 16.237 5.501 ( 24.709 30.778 -7.872) 40.247 5.501 ( 24.709 30.778 7.872) 40.247 5.990 ( 10.486 9.690 -4.655) 15.017 5.990 ( 10.486 9.690 4.655) 15.017 7.771 ( 5.662 4.971 -9.721) 12.299 7.771 ( 5.662 4.971 9.721) 12.299 9.076 ( 3.079 7.160 -0.929) 7.850 9.076 ( 3.079 7.160 0.929) 7.850 9.519 ( -4.238 -6.131 -13.046) 15.025 9.519 ( -4.238 -6.131 13.046) 15.025 11.716 ( -25.086 -31.713 -19.003) 44.679 11.716 ( -25.086 -31.713 19.003) 44.679 13.156 ( 2.725 0.612 -8.619) 9.060 13.156 ( 2.725 0.612 8.619) 9.060======================= Grid point 932 (111/132) =======================q-point: ( 0.20 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 602Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 4.558 9.910 -1.373) 10.994 1.865 ( 4.558 9.910 1.373) 10.994 2.065 ( 7.133 7.970 -8.538) 13.686 2.065 ( 7.133 7.970 8.538) 13.686 2.827 ( 4.101 2.310 -2.171) 5.183 2.827 ( 4.101 2.310 2.171) 5.183 3.753 ( 11.175 23.670 -15.843) 30.596 3.753 ( 11.175 23.670 15.843) 30.596 5.499 ( 1.119 14.476 -9.964) 17.609 5.499 ( 1.119 14.476 9.964) 17.609 6.001 ( 9.696 9.244 -6.674) 14.967 6.001 ( 9.696 9.244 6.674) 14.967 6.419 ( 23.430 19.914 -4.801) 31.122 6.419 ( 23.430 19.914 4.801) 31.122 7.974 ( 11.267 6.285 -8.863) 15.653 7.974 ( 11.267 6.285 8.863) 15.653 9.201 ( 2.003 8.631 -0.850) 8.901 9.201 ( 2.003 8.631 0.850) 8.901 9.358 ( -5.899 -7.757 -9.816) 13.832 9.358 ( -5.899 -7.757 9.816) 13.832 10.984 ( -25.607 -26.008 -11.103) 38.150 10.984 ( -25.607 -26.008 11.103) 38.150 13.244 ( 5.398 0.432 -8.500) 10.079 13.244 ( 5.398 0.432 8.500) 10.079======================= Grid point 934 (112/132) =======================q-point: ( 0.25 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 3.299 9.610 -1.094) 10.219 2.029 ( 3.299 9.610 1.094) 10.219 2.269 ( 7.454 7.921 -4.552) 11.791 2.269 ( 7.454 7.921 4.552) 11.791 2.896 ( 2.821 0.100 -6.229) 6.839 2.896 ( 2.821 0.100 6.229) 6.839 4.149 ( 8.314 22.937 -15.258) 28.776 4.149 ( 8.314 22.937 15.258) 28.776 5.642 ( -1.427 14.939 -9.801) 17.924 5.642 ( -1.427 14.939 9.801) 17.924 6.181 ( 5.313 5.457 -11.697) 13.958 6.181 ( 5.313 5.457 11.697) 13.958 6.993 ( 20.786 15.001 -6.504) 26.446 6.993 ( 20.786 15.001 6.504) 26.446 8.263 ( 15.406 5.503 -7.062) 17.819 8.263 ( 15.406 5.503 7.062) 17.819 9.151 ( -6.462 -7.777 -8.065) 12.934 9.151 ( -6.462 -7.777 8.065) 12.934 9.338 ( 1.048 9.562 -0.489) 9.632 9.338 ( 1.048 9.562 0.489) 9.632 10.365 ( -21.575 -17.468 -5.381) 28.277 10.365 ( -21.575 -17.468 5.381) 28.277 13.328 ( 5.614 -2.720 -7.249) 9.564 13.328 ( 5.614 -2.720 7.249) 9.564======================= Grid point 936 (113/132) =======================q-point: ( 0.30 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 602Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( 1.497 9.215 -0.858) 9.375 2.163 ( 1.497 9.215 0.858) 9.375 2.463 ( 6.633 6.483 -1.194) 9.352 2.463 ( 6.633 6.483 1.194) 9.352 2.936 ( 2.448 -0.259 -8.266) 8.625 2.936 ( 2.448 -0.259 8.266) 8.625 4.482 ( 4.878 21.713 -14.493) 26.558 4.482 ( 4.878 21.713 14.493) 26.558 5.741 ( -3.338 13.457 -9.709) 16.926 5.741 ( -3.338 13.457 9.709) 16.926 6.316 ( 3.473 7.181 -15.047) 17.030 6.316 ( 3.473 7.181 15.047) 17.030 7.371 ( 11.100 5.446 -6.587) 14.009 7.371 ( 11.100 5.446 6.587) 14.009 8.583 ( 15.699 3.201 -5.787) 17.035 8.583 ( 15.699 3.201 5.787) 17.035 8.993 ( -2.682 -5.577 -6.817) 9.207 8.993 ( -2.682 -5.577 6.817) 9.207 9.442 ( -0.423 9.808 -0.149) 9.818 9.442 ( -0.423 9.808 0.149) 9.818 9.917 ( -15.830 -8.412 -2.315) 18.075 9.917 ( -15.830 -8.412 2.315) 18.075 13.380 ( 5.578 -5.934 -5.654) 9.915 13.380 ( 5.578 -5.934 5.654) 9.915======================= Grid point 938 (114/132) =======================q-point: ( 0.35 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( -0.431 8.534 -0.603) 8.567 2.260 ( -0.431 8.534 0.603) 8.567 2.607 ( 4.153 3.482 -1.781) 5.705 2.607 ( 4.153 3.482 1.781) 5.705 2.986 ( 2.986 1.070 -7.632) 8.266 2.986 ( 2.986 1.070 7.632) 8.266 4.739 ( 0.867 20.319 -13.433) 24.374 4.739 ( 0.867 20.319 13.433) 24.374 5.794 ( -4.384 10.903 -9.667) 15.217 5.794 ( -4.384 10.903 9.667) 15.217 6.439 ( 1.264 9.381 -17.215) 19.646 6.439 ( 1.264 9.381 17.215) 19.646 7.488 ( 2.217 -2.503 -6.428) 7.246 7.488 ( 2.217 -2.503 6.428) 7.246 8.750 ( 2.859 -3.430 -9.521) 10.516 8.750 ( 2.859 -3.430 9.521) 10.516 9.043 ( 11.035 1.225 -3.446) 11.626 9.043 ( 11.035 1.225 3.446) 11.626 9.502 ( -1.427 4.164 -0.050) 4.403 9.502 ( -1.427 4.164 0.050) 4.403 9.671 ( -10.042 4.100 -1.364) 10.932 9.671 ( -10.042 4.100 1.364) 10.932 13.404 ( 5.712 -8.619 -3.995) 11.085 13.404 ( 5.712 -8.619 3.995) 11.085======================= Grid point 940 (115/132) =======================q-point: ( 0.40 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 602Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( -2.219 7.635 -0.328) 7.957 2.316 ( -2.219 7.635 0.328) 7.957 2.675 ( 1.653 0.851 -3.565) 4.021 2.675 ( 1.653 0.851 3.565) 4.021 3.050 ( 2.345 1.722 -5.137) 5.904 3.050 ( 2.345 1.722 5.137) 5.904 4.906 ( -3.934 18.643 -12.274) 22.665 4.906 ( -3.934 18.643 12.274) 22.665 5.812 ( -4.578 8.564 -9.621) 13.670 5.812 ( -4.578 8.564 9.621) 13.670 6.535 ( -1.774 10.542 -18.165) 21.077 6.535 ( -1.774 10.542 18.165) 21.077 7.452 ( -0.170 -5.610 -5.992) 8.210 7.452 ( -0.170 -5.610 5.992) 8.210 8.728 ( -0.037 -2.827 -10.106) 10.494 8.728 ( -0.037 -2.827 10.106) 10.494 9.240 ( 9.552 -1.161 -3.044) 10.092 9.240 ( 9.552 -1.161 3.044) 10.092 9.478 ( -0.503 -2.446 -0.472) 2.541 9.478 ( -0.503 -2.446 0.472) 2.541 9.635 ( -7.472 14.436 -1.090) 16.292 9.635 ( -7.472 14.436 1.090) 16.292 13.410 ( 6.055 -10.370 -2.698) 12.307 13.410 ( 6.055 -10.370 2.698) 12.307======================= Grid point 942 (116/132) =======================q-point: ( 0.45 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.335 ( -3.862 6.689 -0.054) 7.724 2.335 ( -3.862 6.689 0.054) 7.724 2.691 ( 0.174 -0.301 -4.042) 4.057 2.691 ( 0.174 -0.301 4.042) 4.057 3.081 ( -0.282 0.488 -3.579) 3.623 3.081 ( -0.282 0.488 3.579) 3.623 4.965 ( -9.304 16.115 -11.706) 21.984 4.965 ( -9.304 16.115 11.706) 21.984 5.814 ( -4.407 7.634 -9.594) 13.028 5.814 ( -4.407 7.634 9.594) 13.028 6.574 ( -5.557 9.625 -18.299) 21.409 6.574 ( -5.557 9.625 18.299) 21.409 7.417 ( 2.701 -4.678 -5.290) 7.561 7.417 ( 2.701 -4.678 5.290) 7.561 8.712 ( 0.845 -1.464 -9.971) 10.114 8.712 ( 0.845 -1.464 9.972) 10.114 9.317 ( 2.981 -5.163 -2.870) 6.616 9.317 ( 2.981 -5.163 2.870) 6.616 9.463 ( 1.084 -1.877 -0.852) 2.329 9.463 ( 1.084 -1.877 0.852) 2.329 9.647 ( -8.361 14.482 -1.084) 16.758 9.647 ( -8.361 14.482 1.084) 16.758 13.410 ( 6.314 -10.935 -2.202) 12.818 13.410 ( 6.314 -10.935 2.202) 12.818======================= Grid point 972 (117/132) =======================q-point: ( 0.15 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 5.570 9.648 -0.676) 11.161 1.878 ( 5.570 9.648 0.676) 11.161 2.042 ( 5.473 9.480 -7.988) 13.552 2.042 ( 5.473 9.480 7.988) 13.552 2.802 ( 2.211 3.829 -1.426) 4.645 2.802 ( 2.211 3.829 1.426) 4.645 3.780 ( 13.608 23.570 -16.176) 31.660 3.780 ( 13.608 23.570 16.176) 31.660 5.577 ( 7.466 12.931 -9.857) 17.892 5.577 ( 7.466 12.931 9.857) 17.892 5.951 ( 7.090 12.280 -3.855) 14.694 5.951 ( 7.090 12.280 3.855) 14.694 6.311 ( 14.668 25.405 -3.886) 29.592 6.311 ( 14.668 25.405 3.886) 29.592 7.906 ( 4.976 8.619 -9.261) 13.595 7.906 ( 4.976 8.619 9.261) 13.595 9.230 ( 4.715 8.167 -0.504) 9.443 9.230 ( 4.715 8.167 0.504) 9.443 9.369 ( -5.083 -8.803 -10.392) 14.537 9.369 ( -5.083 -8.803 10.392) 14.537 11.079 ( -18.245 -31.601 -12.243) 38.489 11.079 ( -18.245 -31.601 12.243) 38.489 13.196 ( 1.392 2.410 -8.244) 8.701 13.196 ( 1.392 2.410 8.244) 8.701======================= Grid point 974 (118/132) =======================q-point: ( 0.20 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.062 ( 4.589 9.967 -1.285) 11.048 2.062 ( 4.589 9.967 1.285) 11.048 2.237 ( 6.248 9.283 -4.457) 12.045 2.237 ( 6.248 9.283 4.457) 12.045 2.859 ( 1.866 1.013 -5.338) 5.745 2.859 ( 1.866 1.013 5.338) 5.745 4.223 ( 10.881 23.590 -16.053) 30.538 4.223 ( 10.881 23.590 16.053) 30.538 5.809 ( 1.864 16.629 -9.305) 19.146 5.809 ( 1.864 16.629 9.305) 19.146 6.121 ( 6.552 4.313 -9.795) 12.549 6.121 ( 6.552 4.313 9.795) 12.549 6.844 ( 17.167 21.688 -6.386) 28.387 6.844 ( 17.167 21.688 6.386) 28.387 8.106 ( 9.346 7.111 -7.977) 14.197 8.106 ( 9.346 7.111 7.977) 14.197 9.175 ( -6.193 -9.395 -8.676) 14.209 9.175 ( -6.193 -9.395 8.676) 14.209 9.394 ( 3.584 9.321 -0.102) 9.987 9.394 ( 3.584 9.321 0.102) 9.987 10.510 ( -17.179 -21.514 -6.886) 28.380 10.510 ( -17.179 -21.514 6.886) 28.380 13.232 ( 2.284 -1.703 -7.057) 7.611 13.232 ( 2.284 -1.703 7.057) 7.611======================= Grid point 976 (119/132) =======================q-point: ( 0.25 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( 2.863 10.233 -1.715) 10.764 2.226 ( 2.863 10.233 1.715) 10.764 2.427 ( 5.843 7.821 -1.623) 9.897 2.427 ( 5.843 7.821 1.623) 9.897 2.894 ( 2.096 -0.000 -7.647) 7.929 2.894 ( 2.096 -0.000 7.647) 7.929 4.608 ( 7.241 23.085 -15.791) 28.891 4.608 ( 7.241 23.085 15.791) 28.891 5.948 ( -3.826 15.197 -9.531) 18.342 5.948 ( -3.826 15.197 9.531) 18.342 6.299 ( 7.680 7.009 -11.982) 15.865 6.299 ( 7.680 7.009 11.982) 15.865 7.260 ( 11.103 11.896 -6.813) 17.641 7.260 ( 11.103 11.896 6.813) 17.641 8.359 ( 13.524 4.298 -6.205) 15.488 8.359 ( 13.524 4.298 6.205) 15.488 8.992 ( -4.584 -7.741 -7.736) 11.865 8.992 ( -4.584 -7.741 7.736) 11.865 9.522 ( 1.040 7.307 -0.643) 7.409 9.522 ( 1.040 7.307 0.643) 7.409 10.094 ( -13.521 -8.518 -3.898) 16.449 10.094 ( -13.521 -8.518 3.898) 16.449 13.238 ( 3.108 -6.405 -5.616) 9.067 13.238 ( 3.108 -6.405 5.616) 9.067======================= Grid point 978 (120/132) =======================q-point: ( 0.30 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.355 ( 0.454 10.034 -1.492) 10.155 2.355 ( 0.454 10.034 1.492) 10.155 2.576 ( 4.089 4.645 -1.247) 6.313 2.576 ( 4.089 4.645 1.247) 6.313 2.943 ( 3.187 1.167 -7.560) 8.287 2.943 ( 3.187 1.167 7.560) 8.287 4.922 ( 3.319 22.381 -15.128) 27.217 4.922 ( 3.319 22.381 15.128) 27.217 5.993 ( -5.763 11.184 -10.831) 16.602 5.993 ( -5.763 11.184 10.831) 16.602 6.503 ( 4.816 11.905 -12.733) 18.085 6.503 ( 4.816 11.905 12.733) 18.085 7.438 ( 2.334 1.723 -7.334) 7.886 7.438 ( 2.334 1.723 7.334) 7.886 8.609 ( 10.967 -0.373 -6.412) 12.710 8.609 ( 10.967 -0.373 6.412) 12.710 8.911 ( 3.066 -2.770 -5.395) 6.796 8.911 ( 3.066 -2.770 5.395) 6.796 9.538 ( -2.355 -1.996 -0.560) 3.138 9.538 ( -2.355 -1.996 0.560) 3.138 9.916 ( -8.376 10.094 -2.266) 13.311 9.916 ( -8.376 10.094 2.266) 13.311 13.216 ( 4.325 -10.821 -4.066) 12.342 13.216 ( 4.325 -10.821 4.066) 12.342======================= Grid point 980 (121/132) =======================q-point: ( 0.35 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.437 ( -1.857 9.169 -1.072) 9.416 2.437 ( -1.857 9.169 1.072) 9.416 2.656 ( 1.937 1.693 -3.271) 4.161 2.656 ( 1.937 1.693 3.271) 4.161 3.021 ( 3.378 2.339 -5.389) 6.777 3.021 ( 3.378 2.339 5.389) 6.777 5.157 ( -1.232 21.668 -13.977) 25.814 5.157 ( -1.232 21.668 13.977) 25.814 5.983 ( -6.010 7.824 -11.948) 15.494 5.983 ( -6.010 7.824 11.948) 15.494 6.685 ( 0.596 15.289 -13.412) 20.347 6.685 ( 0.596 15.289 13.412) 20.347 7.411 ( -2.126 -4.857 -7.545) 9.221 7.411 ( -2.126 -4.857 7.545) 9.221 8.684 ( 2.123 -2.902 -9.150) 9.831 8.684 ( 2.124 -2.902 9.150) 9.831 9.042 ( 11.205 -1.565 -3.483) 11.838 9.042 ( 11.205 -1.565 3.483) 11.838 9.463 ( -1.471 -3.978 -0.397) 4.260 9.463 ( -1.471 -3.978 0.397) 4.260 9.937 ( -7.783 18.580 -1.198) 20.180 9.937 ( -7.783 18.580 1.198) 20.180 13.179 ( 6.099 -14.184 -2.683) 15.671 13.179 ( 6.099 -14.184 2.683) 15.671======================= Grid point 982 (122/132) =======================q-point: ( 0.40 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.474 ( -3.591 8.007 -0.650) 8.799 2.474 ( -3.591 8.007 0.650) 8.799 2.686 ( 0.453 0.585 -3.784) 3.856 2.686 ( 0.453 0.585 3.784) 3.856 3.083 ( 1.245 1.431 -3.128) 3.658 3.083 ( 1.245 1.431 3.128) 3.658 5.294 ( -7.301 20.193 -12.760) 24.977 5.294 ( -7.301 20.193 12.760) 24.977 5.956 ( -4.585 5.937 -12.583) 14.649 5.956 ( -4.585 5.937 12.583) 14.649 6.808 ( -5.391 16.834 -13.779) 22.412 6.808 ( -5.391 16.834 13.779) 22.412 7.325 ( 0.422 -7.086 -5.769) 9.147 7.325 ( 0.422 -7.086 5.769) 9.147 8.681 ( 0.903 -2.016 -9.230) 9.490 8.681 ( 0.903 -2.016 9.230) 9.490 9.174 ( 7.336 -5.412 -3.151) 9.646 9.174 ( 7.336 -5.412 3.151) 9.646 9.424 ( 0.659 -2.871 -1.068) 3.133 9.424 ( 0.659 -2.871 1.068) 3.133 9.979 ( -10.064 20.024 -0.939) 22.431 9.979 ( -10.064 20.024 0.939) 22.431 13.152 ( 8.130 -15.658 -1.843) 17.739 13.152 ( 8.130 -15.658 1.843) 17.739======================= Grid point 1014 (123/132) =======================q-point: ( 0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 321Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( 5.432 9.409 -2.233) 11.092 2.253 ( 5.432 9.409 2.233) 11.092 2.417 ( 4.972 8.611 -1.620) 10.075 2.417 ( 4.972 8.611 1.620) 10.075 2.875 ( 0.523 0.906 -7.345) 7.419 2.875 ( 0.523 0.906 7.345) 7.419 4.663 ( 12.061 20.890 -16.439) 29.190 4.663 ( 12.061 20.890 16.439) 29.190 6.116 ( 6.410 11.102 -3.759) 13.360 6.116 ( 6.410 11.102 3.759) 13.360 6.211 ( 4.601 7.970 -8.143) 12.289 6.211 ( 4.601 7.970 8.143) 12.289 7.228 ( 9.468 16.398 -6.830) 20.129 7.228 ( 9.468 16.398 6.830) 20.129 8.256 ( 4.796 8.306 -6.621) 11.654 8.256 ( 4.796 8.306 6.621) 11.654 8.993 ( -4.909 -8.502 -7.994) 12.660 8.993 ( -4.909 -8.502 7.994) 12.660 9.550 ( 2.961 5.128 -0.902) 5.990 9.550 ( 2.961 5.128 0.902) 5.990 10.173 ( -6.641 -11.503 -4.508) 14.027 10.173 ( -6.641 -11.503 4.508) 14.027 13.176 ( -2.320 -4.019 -5.527) 7.217 13.176 ( -2.320 -4.019 5.527) 7.217======================= Grid point 1016 (124/132) =======================q-point: ( 0.25 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.424 ( 3.286 9.684 -2.577) 10.546 2.424 ( 3.286 9.684 2.577) 10.546 2.560 ( 3.506 5.376 -0.885) 6.479 2.560 ( 3.506 5.376 0.885) 6.479 2.908 ( 2.251 1.730 -7.339) 7.868 2.908 ( 2.251 1.730 7.339) 7.868 5.039 ( 8.136 20.432 -16.563) 27.532 5.039 ( 8.136 20.432 16.563) 27.532 6.186 ( -4.224 7.989 -11.307) 14.474 6.186 ( -4.224 7.989 11.307) 14.474 6.482 ( 10.476 11.859 -7.125) 17.354 6.482 ( 10.476 11.859 7.125) 17.354 7.451 ( 2.395 7.228 -8.229) 11.212 7.451 ( 2.395 7.228 8.229) 11.212 8.434 ( 8.943 3.531 -5.017) 10.845 8.434 ( 8.943 3.531 5.017) 10.845 8.867 ( -1.605 -4.580 -6.959) 8.485 8.867 ( -1.605 -4.580 6.959) 8.485 9.551 ( -2.678 -3.985 -0.670) 4.848 9.551 ( -2.678 -3.985 0.670) 4.848 10.100 ( -1.171 8.616 -2.689) 9.101 10.100 ( -1.171 8.616 2.689) 9.101 13.078 ( -1.034 -9.820 -4.000) 10.654 13.078 ( -1.034 -9.820 4.000) 10.654======================= Grid point 1018 (125/132) =======================q-point: ( 0.30 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 602Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.544 ( -0.007 8.573 -2.243) 8.862 2.544 ( -0.007 8.573 2.243) 8.862 2.644 ( 2.067 2.853 -2.984) 4.617 2.644 ( 2.067 2.853 2.984) 4.617 2.985 ( 3.614 2.877 -5.352) 7.070 2.985 ( 3.614 2.877 5.352) 7.070 5.342 ( 4.149 19.987 -16.062) 25.974 5.342 ( 4.149 19.987 16.062) 25.974 6.165 ( -6.455 6.517 -12.872) 15.806 6.165 ( -6.455 6.517 12.872) 15.806 6.756 ( 7.572 12.272 -7.815) 16.402 6.756 ( 7.572 12.272 7.815) 16.402 7.461 ( -5.218 1.658 -10.079) 11.470 7.461 ( -5.218 1.658 10.079) 11.470 8.589 ( 6.452 -1.096 -5.915) 8.822 8.589 ( 6.452 -1.096 5.915) 8.822 8.870 ( 5.804 -1.825 -4.511) 7.574 8.870 ( 5.804 -1.825 4.511) 7.574 9.452 ( -2.414 -4.937 -0.367) 5.508 9.452 ( -2.414 -4.937 0.367) 5.508 10.221 ( -2.414 18.929 -1.348) 19.130 10.221 ( -2.414 18.929 1.348) 19.130 12.957 ( 1.744 -15.432 -2.623) 15.750 12.957 ( 1.744 -15.432 2.623) 15.750======================= Grid point 1020 (126/132) =======================q-point: ( 0.35 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.593 ( -1.774 5.162 -2.158) 5.869 2.593 ( -1.774 5.162 2.158) 5.869 2.699 ( 0.167 4.155 -2.746) 4.983 2.699 ( 0.167 4.155 2.746) 4.983 3.066 ( 2.591 1.969 -3.088) 4.487 3.066 ( 2.591 1.969 3.088) 4.487 5.568 ( -0.811 19.630 -14.857) 24.632 5.568 ( -0.811 19.630 14.857) 24.632 6.102 ( -6.876 4.554 -13.567) 15.877 6.102 ( -6.876 4.554 13.567) 15.877 6.978 ( 5.152 10.768 -8.325) 14.553 6.978 ( 5.152 10.768 8.325) 14.553 7.347 ( -9.006 1.551 -11.070) 14.355 7.347 ( -9.006 1.551 11.070) 14.355 8.638 ( 2.102 -1.996 -7.599) 8.133 8.638 ( 2.102 -1.996 7.599) 8.133 8.980 ( 8.727 -4.661 -3.397) 10.460 8.980 ( 8.727 -4.661 3.397) 10.460 9.388 ( -0.263 -3.555 -1.204) 3.762 9.388 ( -0.263 -3.555 1.204) 3.762 10.351 ( -7.383 23.238 -0.860) 24.398 10.351 ( -7.383 23.238 0.860) 24.398 12.849 ( 6.211 -19.256 -1.614) 20.297 12.849 ( 6.211 -19.256 1.614) 20.297======================= Grid point 1022 (127/132) =======================q-point: ( 0.40 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 321Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.601 ( -2.182 3.780 -2.013) 4.806 2.601 ( -2.182 3.780 2.013) 4.806 2.722 ( -2.320 4.018 -2.252) 5.157 2.722 ( -2.320 4.018 2.252) 5.157 3.099 ( -0.091 0.157 -1.611) 1.621 3.099 ( -0.091 0.157 1.611) 1.621 5.669 ( -9.767 16.917 -13.869) 23.957 5.669 ( -9.767 16.917 13.869) 23.957 6.055 ( -2.711 4.695 -14.093) 15.100 6.055 ( -2.711 4.695 14.093) 15.100 7.113 ( -1.658 2.871 -3.492) 4.815 7.113 ( -1.658 2.871 3.492) 4.815 7.237 ( -5.069 8.779 -9.426) 13.843 7.237 ( -5.069 8.779 9.426) 13.843 8.644 ( 1.164 -2.015 -7.820) 8.159 8.644 ( 1.164 -2.015 7.820) 8.159 9.035 ( 4.820 -8.348 -3.176) 10.149 9.035 ( 4.820 -8.348 3.176) 10.149 9.369 ( 1.512 -2.619 -1.555) 3.400 9.369 ( 1.512 -2.619 1.555) 3.400 10.406 ( -13.162 22.797 -0.758) 26.335 10.406 ( -13.162 22.797 0.758) 26.335 12.805 ( 11.080 -19.191 -1.232) 22.194 12.805 ( 11.080 -19.191 1.232) 22.194======================= Grid point 1058 (128/132) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.589 ( 3.312 5.736 -2.935) 7.245 2.589 ( 3.312 5.736 2.935) 7.245 2.641 ( 2.431 4.211 -2.885) 5.654 2.641 ( 2.431 4.211 2.885) 5.654 2.966 ( 2.209 3.827 -5.323) 6.918 2.966 ( 2.209 3.827 5.323) 6.918 5.404 ( 9.653 16.719 -16.973) 25.705 5.404 ( 9.653 16.719 16.973) 25.705 6.272 ( 0.821 1.422 -13.068) 13.171 6.272 ( 0.821 1.422 13.068) 13.171 6.728 ( 6.886 11.926 -2.803) 14.053 6.728 ( 6.886 11.926 2.803) 14.053 7.538 ( 1.077 1.865 -11.163) 11.369 7.538 ( 1.077 1.865 11.163) 11.369 8.508 ( 2.269 3.930 -3.237) 5.574 8.508 ( 2.269 3.930 3.237) 5.574 8.815 ( -0.433 -0.750 -5.666) 5.732 8.815 ( -0.433 -0.750 5.666) 5.732 9.448 ( -2.984 -5.169 -0.360) 5.980 9.448 ( -2.984 -5.169 0.360) 5.980 10.343 ( 8.334 14.435 -1.424) 16.728 10.343 ( 8.334 14.435 1.424) 16.728 12.858 ( -7.056 -12.222 -2.582) 14.347 12.858 ( -7.056 -12.222 2.582) 14.347======================= Grid point 1060 (129/132) =======================q-point: ( 0.30 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.630 ( -0.062 0.871 -3.224) 3.340 2.630 ( -0.062 0.871 3.224) 3.340 2.753 ( 1.784 7.549 -2.427) 8.128 2.753 ( 1.784 7.549 2.427) 8.128 3.041 ( 2.530 2.424 -3.267) 4.791 3.041 ( 2.530 2.424 3.267) 4.791 5.697 ( 5.857 15.974 -16.440) 23.659 5.697 ( 5.857 15.974 16.440) 23.659 6.256 ( -4.926 2.646 -12.631) 13.813 6.256 ( -4.926 2.646 12.631) 13.813 6.918 ( 6.063 3.410 -3.852) 7.951 6.918 ( 6.063 3.410 3.852) 7.951 7.551 ( -4.342 8.003 -12.806) 15.713 7.551 ( -4.342 8.003 12.806) 15.713 8.572 ( 2.987 -0.990 -3.318) 4.573 8.572 ( 2.987 -0.990 3.318) 4.573 8.832 ( 3.571 -1.870 -3.676) 5.456 8.832 ( 3.571 -1.870 3.676) 5.456 9.366 ( -1.460 -3.689 -1.278) 4.168 9.366 ( -1.460 -3.689 1.278) 4.168 10.628 ( 3.107 22.073 -0.824) 22.306 10.628 ( 3.107 22.073 0.824) 22.306 12.614 ( -2.715 -19.130 -1.507) 19.381 12.614 ( -2.715 -19.130 1.507) 19.381======================= Grid point 1062 (130/132) =======================q-point: ( 0.35 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.632 ( -0.238 0.364 -2.491) 2.529 2.632 ( -0.238 0.364 2.491) 2.529 2.826 ( -1.854 7.071 -1.429) 7.449 2.826 ( -1.854 7.071 1.429) 7.449 3.088 ( 1.403 0.142 -1.222) 1.866 3.088 ( 1.403 0.142 1.222) 1.866 5.910 ( 0.564 14.665 -14.915) 20.924 5.910 ( 0.564 14.665 14.915) 20.924 6.171 ( -6.840 2.588 -11.857) 13.931 6.171 ( -6.840 2.588 11.858) 13.931 7.001 ( 4.908 -4.806 -6.028) 9.139 7.001 ( 4.908 -4.806 6.028) 9.139 7.559 ( -8.731 16.001 -11.927) 21.784 7.559 ( -8.731 16.001 11.927) 21.784 8.591 ( 2.187 -3.251 -4.868) 6.249 8.591 ( 2.187 -3.251 4.868) 6.249 8.875 ( 4.744 -5.202 -2.383) 7.433 8.875 ( 4.744 -5.202 2.383) 7.433 9.326 ( 0.351 -2.673 -1.874) 3.283 9.326 ( 0.351 -2.673 1.874) 3.283 10.838 ( -7.684 25.950 -0.608) 27.070 10.838 ( -7.684 25.950 0.608) 27.070 12.429 ( 6.884 -23.201 -0.897) 24.217 12.429 ( 6.884 -23.201 0.897) 24.217======================= Grid point 1100 (131/132) =======================q-point: ( 0.30 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 321Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.634 ( -0.027 -0.047 -2.204) 2.204 2.634 ( -0.027 -0.047 2.204) 2.204 2.884 ( 3.056 5.293 -1.882) 6.395 2.884 ( 3.056 5.293 1.882) 6.395 3.071 ( 0.350 0.606 -1.809) 1.939 3.071 ( 0.350 0.606 1.809) 1.939 5.968 ( 6.650 11.518 -15.073) 20.102 5.968 ( 6.650 11.518 15.073) 20.102 6.264 ( -1.086 -1.882 -10.114) 10.345 6.264 ( -1.086 -1.882 10.114) 10.345 6.924 ( -0.736 -1.275 -2.426) 2.838 6.924 ( -0.736 -1.275 2.426) 2.838 7.735 ( 5.125 8.877 -11.878) 15.689 7.735 ( 5.125 8.877 11.878) 15.689 8.538 ( -1.373 -2.378 -0.019) 2.746 8.538 ( -1.373 -2.378 0.019) 2.746 8.808 ( -0.301 -0.521 -1.877) 1.971 8.808 ( -0.301 -0.521 1.877) 1.971 9.309 ( -1.202 -2.083 -1.989) 3.120 9.309 ( -1.202 -2.083 1.989) 3.120 11.066 ( 12.383 21.448 -0.537) 24.771 11.066 ( 12.383 21.448 0.537) 24.771 12.222 ( -11.426 -19.791 -0.806) 22.867 12.222 ( -11.426 -19.791 0.806) 22.867======================= Grid point 1102 (132/132) =======================q-point: ( 0.35 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.633 ( 0.007 -0.013 -1.075) 1.075 2.633 ( 0.007 -0.013 1.075) 1.075 2.941 ( -2.317 4.013 -0.796) 4.701 2.941 ( -2.317 4.013 0.796) 4.701 3.073 ( 0.770 -1.334 -0.667) 1.679 3.073 ( 0.770 -1.334 0.667) 1.679 6.121 ( -3.432 5.945 -9.550) 11.761 6.121 ( -3.432 5.945 9.550) 11.761 6.206 ( -0.557 0.964 -0.367) 1.172 6.206 ( -0.557 0.964 0.367) 1.172 6.907 ( 1.892 -3.277 -2.952) 4.800 6.907 ( 1.892 -3.277 2.952) 4.800 7.834 ( -5.397 9.348 -10.990) 15.404 7.834 ( -5.397 9.348 10.990) 15.404 8.506 ( 2.435 -4.217 -1.335) 5.049 8.506 ( 2.435 -4.217 1.335) 5.049 8.805 ( 0.977 -1.691 -0.213) 1.965 8.805 ( 0.977 -1.691 0.213) 1.965 9.288 ( 0.606 -1.050 -2.272) 2.575 9.288 ( 0.606 -1.050 2.272) 2.575 11.346 ( -13.857 24.001 -0.467) 27.718 11.346 ( -13.857 24.001 0.467) 27.718 11.959 ( 13.285 -23.011 -0.544) 26.576 11.959 ( 13.285 -23.011 0.544) 26.576=================== 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 3/38400 10.0 228.422 228.422 39.954 0.000 -0.000 -0.000 3/38400 20.0 74.941 74.941 36.667 0.000 -0.000 -0.000 3/38400 30.0 45.937 45.937 27.959 0.000 -0.000 -0.000 3/38400 40.0 32.768 32.768 21.282 0.000 -0.000 -0.000 3/38400 50.0 24.203 24.203 16.382 0.000 -0.000 -0.000 3/38400 60.0 18.530 18.530 12.911 0.000 -0.000 -0.000 3/38400 70.0 14.715 14.715 10.455 0.000 -0.000 -0.000 3/38400 80.0 12.076 12.076 8.687 0.000 -0.000 -0.000 3/38400 90.0 10.187 10.187 7.386 0.000 -0.000 -0.000 3/38400 100.0 8.789 8.789 6.402 0.000 -0.000 -0.000 3/38400 110.0 7.725 7.725 5.640 0.000 -0.000 -0.000 3/38400 120.0 6.891 6.891 5.037 0.000 -0.000 -0.000 3/38400 130.0 6.224 6.224 4.550 0.000 -0.000 -0.000 3/38400 140.0 5.678 5.678 4.149 0.000 -0.000 -0.000 3/38400 150.0 5.224 5.224 3.814 0.000 -0.000 -0.000 3/38400 160.0 4.840 4.840 3.531 0.000 -0.000 -0.000 3/38400 170.0 4.511 4.511 3.287 0.000 -0.000 -0.000 3/38400 180.0 4.227 4.227 3.076 0.000 -0.000 -0.000 3/38400 190.0 3.977 3.977 2.891 0.000 -0.000 -0.000 3/38400 200.0 3.757 3.757 2.728 0.000 -0.000 -0.000 3/38400 210.0 3.562 3.562 2.583 0.000 -0.000 -0.000 3/38400 220.0 3.386 3.386 2.453 0.000 -0.000 -0.000 3/38400 230.0 3.228 3.228 2.335 0.000 -0.000 -0.000 3/38400 240.0 3.084 3.084 2.229 0.000 -0.000 -0.000 3/38400 250.0 2.953 2.953 2.133 0.000 -0.000 -0.000 3/38400 260.0 2.833 2.833 2.044 0.000 -0.000 -0.000 3/38400 270.0 2.723 2.723 1.963 0.000 -0.000 -0.000 3/38400 280.0 2.621 2.621 1.888 0.000 -0.000 -0.000 3/38400 290.0 2.527 2.527 1.819 0.000 -0.000 -0.000 3/38400 300.0 2.440 2.440 1.755 0.000 -0.000 -0.000 3/38400 310.0 2.358 2.358 1.695 0.000 -0.000 -0.000 3/38400 320.0 2.282 2.282 1.640 0.000 -0.000 -0.000 3/38400 330.0 2.211 2.211 1.588 0.000 -0.000 -0.000 3/38400 340.0 2.144 2.144 1.539 0.000 -0.000 -0.000 3/38400 350.0 2.082 2.082 1.493 0.000 -0.000 -0.000 3/38400 360.0 2.023 2.023 1.450 0.000 -0.000 -0.000 3/38400 370.0 1.967 1.967 1.409 0.000 -0.000 -0.000 3/38400 380.0 1.914 1.914 1.371 0.000 -0.000 -0.000 3/38400 390.0 1.864 1.864 1.335 0.000 -0.000 -0.000 3/38400 400.0 1.817 1.817 1.300 0.000 -0.000 -0.000 3/38400 410.0 1.771 1.771 1.267 0.000 -0.000 -0.000 3/38400 420.0 1.729 1.729 1.236 0.000 -0.000 -0.000 3/38400 430.0 1.688 1.688 1.207 0.000 -0.000 -0.000 3/38400 440.0 1.649 1.649 1.179 0.000 -0.000 -0.000 3/38400 450.0 1.612 1.612 1.152 0.000 -0.000 -0.000 3/38400 460.0 1.576 1.576 1.126 0.000 -0.000 -0.000 3/38400 470.0 1.543 1.543 1.102 0.000 -0.000 -0.000 3/38400 480.0 1.510 1.510 1.078 0.000 -0.000 -0.000 3/38400 490.0 1.479 1.479 1.056 0.000 -0.000 -0.000 3/38400 500.0 1.449 1.449 1.034 0.000 -0.000 -0.000 3/38400 510.0 1.420 1.420 1.014 0.000 -0.000 -0.000 3/38400 520.0 1.393 1.393 0.994 0.000 -0.000 -0.000 3/38400 530.0 1.366 1.366 0.975 0.000 -0.000 -0.000 3/38400 540.0 1.341 1.341 0.956 0.000 -0.000 -0.000 3/38400 550.0 1.316 1.316 0.939 0.000 -0.000 -0.000 3/38400 560.0 1.293 1.293 0.922 0.000 -0.000 -0.000 3/38400 570.0 1.270 1.270 0.905 0.000 -0.000 -0.000 3/38400 580.0 1.248 1.248 0.889 0.000 -0.000 -0.000 3/38400 590.0 1.227 1.227 0.874 0.000 -0.000 -0.000 3/38400 600.0 1.206 1.206 0.859 0.000 -0.000 -0.000 3/38400 610.0 1.186 1.186 0.845 0.000 -0.000 -0.000 3/38400 620.0 1.167 1.167 0.831 0.000 -0.000 -0.000 3/38400 630.0 1.148 1.148 0.818 0.000 -0.000 -0.000 3/38400 640.0 1.130 1.130 0.805 0.000 -0.000 -0.000 3/38400 650.0 1.113 1.113 0.793 0.000 -0.000 -0.000 3/38400 660.0 1.096 1.096 0.780 0.000 -0.000 -0.000 3/38400 670.0 1.079 1.079 0.769 0.000 -0.000 -0.000 3/38400 680.0 1.064 1.064 0.757 0.000 -0.000 -0.000 3/38400 690.0 1.048 1.048 0.746 0.000 -0.000 -0.000 3/38400 700.0 1.033 1.033 0.735 0.000 -0.000 -0.000 3/38400 710.0 1.018 1.018 0.725 0.000 -0.000 -0.000 3/38400 720.0 1.004 1.004 0.715 0.000 -0.000 -0.000 3/38400 730.0 0.990 0.990 0.705 0.000 -0.000 -0.000 3/38400 740.0 0.977 0.977 0.695 0.000 -0.000 -0.000 3/38400 750.0 0.964 0.964 0.686 0.000 -0.000 -0.000 3/38400 760.0 0.951 0.951 0.677 0.000 -0.000 -0.000 3/38400 770.0 0.939 0.939 0.668 0.000 -0.000 -0.000 3/38400 780.0 0.927 0.927 0.659 0.000 -0.000 -0.000 3/38400 790.0 0.915 0.915 0.651 0.000 -0.000 -0.000 3/38400 800.0 0.904 0.904 0.643 0.000 -0.000 -0.000 3/38400 810.0 0.892 0.892 0.635 0.000 -0.000 -0.000 3/38400 820.0 0.881 0.881 0.627 0.000 -0.000 -0.000 3/38400 830.0 0.871 0.871 0.619 0.000 -0.000 -0.000 3/38400 840.0 0.860 0.860 0.612 0.000 -0.000 -0.000 3/38400 850.0 0.850 0.850 0.605 0.000 -0.000 -0.000 3/38400 860.0 0.840 0.840 0.598 0.000 -0.000 -0.000 3/38400 870.0 0.831 0.831 0.591 0.000 -0.000 -0.000 3/38400 880.0 0.821 0.821 0.584 0.000 -0.000 -0.000 3/38400 890.0 0.812 0.812 0.577 0.000 -0.000 -0.000 3/38400 900.0 0.803 0.803 0.571 0.000 -0.000 -0.000 3/38400 910.0 0.794 0.794 0.565 0.000 -0.000 -0.000 3/38400 920.0 0.785 0.785 0.558 0.000 -0.000 -0.000 3/38400 930.0 0.777 0.777 0.552 0.000 -0.000 -0.000 3/38400 940.0 0.769 0.769 0.546 0.000 -0.000 -0.000 3/38400 950.0 0.761 0.761 0.541 0.000 -0.000 -0.000 3/38400 960.0 0.753 0.753 0.535 0.000 -0.000 -0.000 3/38400 970.0 0.745 0.745 0.530 0.000 -0.000 -0.000 3/38400 980.0 0.737 0.737 0.524 0.000 -0.000 -0.000 3/38400 990.0 0.730 0.730 0.519 0.000 -0.000 -0.000 3/38400 1000.0 0.723 0.723 0.514 0.000 -0.000 -0.000 3/38400Thermal conductivity related properties were written into "kappa-m20204.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:00:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|