# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e6c544d1-f8f4-47bb-aa8b-12a3d00e0995/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 RbHO / Cmc2_1 (36) / materials id 626620](https://mdr.nims.go.jp/datasets/a9018933-a79a-4555-a683-e39602152887) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 20:36:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmc2_1 (36)Number of symmetry operations in supercell: 72------------------------------ primitive cell ------------------------------Lattice vectors: a 2.072100085000000 -5.319527205000000 0.000000000000000 b 2.072100085000000 5.319527205000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.184463230000000Atomic positions (fractional): *1 Rb 0.13811452337224 0.86188547662776 0.25747030527953 85.468 2 Rb 0.86188547662776 0.13811452337224 0.75747030527953 85.468 *3 H 0.47160048996502 0.52839951003498 0.40583414743896 1.008 4 H 0.52839951003498 0.47160048996502 0.90583414743896 1.008 *5 O 0.40727375229158 0.59272624770842 0.23208853728150 15.999 6 O 0.59272624770842 0.40727375229158 0.73208853728150 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.144200170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.639054410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.184463230000000Atomic positions (fractional): *1 Rb 0.00000000000000 0.86188547662776 0.25747030527953 85.468 > 1 2 Rb 0.50000000000000 0.63811452337224 0.75747030527953 85.468 > 2 3 Rb 0.50000000000000 0.36188547662775 0.25747030527953 85.468 > 1 4 Rb 0.00000000000000 0.13811452337225 0.75747030527953 85.468 > 2 *5 H 0.00000000000000 0.52839951003498 0.40583414743896 1.008 > 3 6 H 0.50000000000000 0.97160048996502 0.90583414743896 1.008 > 4 7 H 0.50000000000000 0.02839951003498 0.40583414743896 1.008 > 3 8 H 0.00000000000000 0.47160048996502 0.90583414743896 1.008 > 4 *9 O 0.00000000000000 0.59272624770842 0.23208853728150 15.999 > 5 10 O 0.50000000000000 0.90727375229158 0.73208853728150 15.999 > 6 11 O 0.50000000000000 0.09272624770842 0.23208853728150 15.999 > 5 12 O 0.00000000000000 0.40727375229158 0.73208853728150 15.999 > 6-------------------------------- super cell --------------------------------Lattice vectors: a 12.432600510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.639054410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.553389690000001Atomic positions (fractional): *1 Rb 0.00000000000000 0.86188547662776 0.08582343509318 85.468 > 1 2 Rb 0.33333333333333 0.86188547662776 0.08582343509318 85.468 > 1 3 Rb 0.66666666666667 0.86188547662776 0.08582343509318 85.468 > 1 4 Rb 0.00000000000000 0.86188547662776 0.41915676842651 85.468 > 1 5 Rb 0.33333333333333 0.86188547662776 0.41915676842651 85.468 > 1 6 Rb 0.66666666666667 0.86188547662776 0.41915676842651 85.468 > 1 7 Rb 0.00000000000000 0.86188547662776 0.75249010175984 85.468 > 1 8 Rb 0.33333333333333 0.86188547662776 0.75249010175984 85.468 > 1 9 Rb 0.66666666666667 0.86188547662776 0.75249010175984 85.468 > 1 10 Rb 0.16666666666667 0.63811452337224 0.25249010175984 85.468 > 2 11 Rb 0.50000000000000 0.63811452337224 0.25249010175984 85.468 > 2 12 Rb 0.83333333333333 0.63811452337224 0.25249010175984 85.468 > 2 13 Rb 0.16666666666667 0.63811452337224 0.58582343509318 85.468 > 2 14 Rb 0.50000000000000 0.63811452337224 0.58582343509318 85.468 > 2 15 Rb 0.83333333333333 0.63811452337224 0.58582343509318 85.468 > 2 16 Rb 0.16666666666667 0.63811452337224 0.91915676842651 85.468 > 2 17 Rb 0.50000000000000 0.63811452337224 0.91915676842651 85.468 > 2 18 Rb 0.83333333333333 0.63811452337224 0.91915676842651 85.468 > 2 19 Rb 0.16666666666667 0.36188547662775 0.08582343509318 85.468 > 1 20 Rb 0.50000000000000 0.36188547662775 0.08582343509318 85.468 > 1 21 Rb 0.83333333333333 0.36188547662775 0.08582343509318 85.468 > 1 22 Rb 0.16666666666667 0.36188547662775 0.41915676842651 85.468 > 1 23 Rb 0.50000000000000 0.36188547662775 0.41915676842651 85.468 > 1 24 Rb 0.83333333333333 0.36188547662775 0.41915676842651 85.468 > 1 25 Rb 0.16666666666667 0.36188547662775 0.75249010175984 85.468 > 1 26 Rb 0.50000000000000 0.36188547662775 0.75249010175984 85.468 > 1 27 Rb 0.83333333333333 0.36188547662775 0.75249010175984 85.468 > 1 28 Rb 0.00000000000000 0.13811452337225 0.25249010175984 85.468 > 2 29 Rb 0.33333333333333 0.13811452337225 0.25249010175984 85.468 > 2 30 Rb 0.66666666666667 0.13811452337225 0.25249010175984 85.468 > 2 31 Rb 0.00000000000000 0.13811452337225 0.58582343509318 85.468 > 2 32 Rb 0.33333333333333 0.13811452337225 0.58582343509318 85.468 > 2 33 Rb 0.66666666666667 0.13811452337225 0.58582343509318 85.468 > 2 34 Rb 0.00000000000000 0.13811452337225 0.91915676842651 85.468 > 2 35 Rb 0.33333333333333 0.13811452337225 0.91915676842651 85.468 > 2 36 Rb 0.66666666666667 0.13811452337225 0.91915676842651 85.468 > 2 *37 H 0.00000000000000 0.52839951003498 0.13527804914632 1.008 > 3 38 H 0.33333333333333 0.52839951003498 0.13527804914632 1.008 > 3 39 H 0.66666666666667 0.52839951003498 0.13527804914632 1.008 > 3 40 H 0.00000000000000 0.52839951003498 0.46861138247965 1.008 > 3 41 H 0.33333333333333 0.52839951003498 0.46861138247965 1.008 > 3 42 H 0.66666666666667 0.52839951003498 0.46861138247965 1.008 > 3 43 H 0.00000000000000 0.52839951003498 0.80194471581299 1.008 > 3 44 H 0.33333333333333 0.52839951003498 0.80194471581299 1.008 > 3 45 H 0.66666666666667 0.52839951003498 0.80194471581299 1.008 > 3 46 H 0.16666666666667 0.97160048996502 0.30194471581299 1.008 > 4 47 H 0.50000000000000 0.97160048996502 0.30194471581299 1.008 > 4 48 H 0.83333333333333 0.97160048996502 0.30194471581299 1.008 > 4 49 H 0.16666666666667 0.97160048996502 0.63527804914632 1.008 > 4 50 H 0.50000000000000 0.97160048996502 0.63527804914632 1.008 > 4 51 H 0.83333333333333 0.97160048996502 0.63527804914632 1.008 > 4 52 H 0.16666666666667 0.97160048996502 0.96861138247965 1.008 > 4 53 H 0.50000000000000 0.97160048996502 0.96861138247965 1.008 > 4 54 H 0.83333333333333 0.97160048996502 0.96861138247965 1.008 > 4 55 H 0.16666666666667 0.02839951003498 0.13527804914632 1.008 > 3 56 H 0.50000000000000 0.02839951003498 0.13527804914632 1.008 > 3 57 H 0.83333333333333 0.02839951003498 0.13527804914632 1.008 > 3 58 H 0.16666666666667 0.02839951003498 0.46861138247965 1.008 > 3 59 H 0.50000000000000 0.02839951003498 0.46861138247965 1.008 > 3 60 H 0.83333333333333 0.02839951003498 0.46861138247965 1.008 > 3 61 H 0.16666666666667 0.02839951003498 0.80194471581299 1.008 > 3 62 H 0.50000000000000 0.02839951003498 0.80194471581299 1.008 > 3 63 H 0.83333333333333 0.02839951003498 0.80194471581299 1.008 > 3 64 H 0.00000000000000 0.47160048996502 0.30194471581299 1.008 > 4 65 H 0.33333333333333 0.47160048996502 0.30194471581299 1.008 > 4 66 H 0.66666666666667 0.47160048996502 0.30194471581299 1.008 > 4 67 H 0.00000000000000 0.47160048996502 0.63527804914632 1.008 > 4 68 H 0.33333333333333 0.47160048996502 0.63527804914632 1.008 > 4 69 H 0.66666666666667 0.47160048996502 0.63527804914632 1.008 > 4 70 H 0.00000000000000 0.47160048996502 0.96861138247965 1.008 > 4 71 H 0.33333333333333 0.47160048996502 0.96861138247965 1.008 > 4 72 H 0.66666666666667 0.47160048996502 0.96861138247965 1.008 > 4 *73 O 0.00000000000000 0.59272624770842 0.07736284576050 15.999 > 5 74 O 0.33333333333333 0.59272624770842 0.07736284576050 15.999 > 5 75 O 0.66666666666667 0.59272624770842 0.07736284576050 15.999 > 5 76 O 0.00000000000000 0.59272624770842 0.41069617909383 15.999 > 5 77 O 0.33333333333333 0.59272624770842 0.41069617909383 15.999 > 5 78 O 0.66666666666667 0.59272624770842 0.41069617909383 15.999 > 5 79 O 0.00000000000000 0.59272624770842 0.74402951242717 15.999 > 5 80 O 0.33333333333333 0.59272624770842 0.74402951242717 15.999 > 5 81 O 0.66666666666667 0.59272624770842 0.74402951242717 15.999 > 5 82 O 0.16666666666667 0.90727375229158 0.24402951242717 15.999 > 6 83 O 0.50000000000000 0.90727375229158 0.24402951242717 15.999 > 6 84 O 0.83333333333333 0.90727375229158 0.24402951242717 15.999 > 6 85 O 0.16666666666667 0.90727375229158 0.57736284576050 15.999 > 6 86 O 0.50000000000000 0.90727375229158 0.57736284576050 15.999 > 6 87 O 0.83333333333333 0.90727375229158 0.57736284576050 15.999 > 6 88 O 0.16666666666667 0.90727375229158 0.91069617909383 15.999 > 6 89 O 0.50000000000000 0.90727375229158 0.91069617909383 15.999 > 6 90 O 0.83333333333333 0.90727375229158 0.91069617909383 15.999 > 6 91 O 0.16666666666667 0.09272624770842 0.07736284576050 15.999 > 5 92 O 0.50000000000000 0.09272624770842 0.07736284576050 15.999 > 5 93 O 0.83333333333333 0.09272624770842 0.07736284576050 15.999 > 5 94 O 0.16666666666667 0.09272624770842 0.41069617909383 15.999 > 5 95 O 0.50000000000000 0.09272624770842 0.41069617909383 15.999 > 5 96 O 0.83333333333333 0.09272624770842 0.41069617909383 15.999 > 5 97 O 0.16666666666667 0.09272624770842 0.74402951242717 15.999 > 5 98 O 0.50000000000000 0.09272624770842 0.74402951242717 15.999 > 5 99 O 0.83333333333333 0.09272624770842 0.74402951242717 15.999 > 5 100 O 0.00000000000000 0.40727375229158 0.24402951242717 15.999 > 6 101 O 0.33333333333333 0.40727375229158 0.24402951242717 15.999 > 6 102 O 0.66666666666667 0.40727375229158 0.24402951242717 15.999 > 6 103 O 0.00000000000000 0.40727375229158 0.57736284576050 15.999 > 6 104 O 0.33333333333333 0.40727375229158 0.57736284576050 15.999 > 6 105 O 0.66666666666667 0.40727375229158 0.57736284576050 15.999 > 6 106 O 0.00000000000000 0.40727375229158 0.91069617909383 15.999 > 6 107 O 0.33333333333333 0.40727375229158 0.91069617909383 15.999 > 6 108 O 0.66666666666667 0.40727375229158 0.91069617909383 15.999 > 6----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.7205814 0.0000000 0.0000000 0.0000000 2.7123282 0.0000000 0.0000000 0.0000000 2.7478598-------------------------- Born effective charges -------------------------- 1 Rb 1.2245619 0.0000000 0.0000000 0.0000000 1.2053318 0.0371366 0.0000000 0.0052257 1.1844212 2 Rb 1.2245619 0.0000000 0.0000000 0.0000000 1.2053318 -0.0371366 0.0000000 -0.0052257 1.1844212 3 H 0.2151383 0.0000000 0.0000000 0.0000000 0.4480365 -0.3431533 0.0000000 -0.3683719 0.6626189 4 H 0.2151383 0.0000000 0.0000000 0.0000000 0.4480365 0.3431533 0.0000000 0.3683719 0.6626189 5 O -1.4397002 0.0000000 0.0000000 0.0000000 -1.6533683 0.0190678 0.0000000 0.0005482 -1.8470401 6 O -1.4397002 0.0000000 0.0000000 0.0000000 -1.6533683 -0.0190678 0.0000000 -0.0005482 -1.8470401----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 3609/3609Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 792Number of blocks in projector: 792Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 216Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 108Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 108Use standard eigh solver.Tree of FC basis block matrices:- (792, 777), data: False|-- (108, 108), data: True|-- (108, 108), data: True|-- (120, 117), data: True|-- (120, 117), data: True|-- (120, 117), data: True|-- (216, 210), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 240 - Time: 0.701Solver_block: 200 / 240 - Time: 0.718Solver_block: 240 / 240 - Time: 0.349Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.781--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324Permutation basis: 3609/3609Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 792Number of blocks in projector: 792Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 216Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 108Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 108Use standard eigh solver.Tree of FC basis block matrices:- (792, 777), data: False|-- (108, 108), data: True|-- (108, 108), data: True|-- (120, 117), data: True|-- (120, 117), data: True|-- (120, 117), data: True|-- (216, 210), 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 20:36:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 20:36:16]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 1 3]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmc2_1 (36)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.072100085000000 -5.319527205000000 0.000000000000000 b 2.072100085000000 5.319527205000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.184463230000000Atomic positions (fractional): 1 Rb 0.13811452337224 0.86188547662776 0.25747030527953 85.468 2 Rb 0.86188547662776 0.13811452337224 0.75747030527953 85.468 3 H 0.47160048996502 0.52839951003498 0.40583414743896 1.008 4 H 0.52839951003498 0.47160048996502 0.90583414743896 1.008 5 O 0.40727375229158 0.59272624770842 0.23208853728150 15.999 6 O 0.59272624770842 0.40727375229158 0.73208853728150 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 12.432600510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.639054410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.553389690000001Atomic positions (fractional): 1 Rb 0.00000000000000 0.86188547662776 0.08582343509318 85.468 > 1 2 Rb 0.33333333333333 0.86188547662776 0.08582343509318 85.468 > 1 3 Rb 0.66666666666667 0.86188547662776 0.08582343509318 85.468 > 1 4 Rb 0.00000000000000 0.86188547662776 0.41915676842651 85.468 > 1 5 Rb 0.33333333333333 0.86188547662776 0.41915676842651 85.468 > 1 6 Rb 0.66666666666667 0.86188547662776 0.41915676842651 85.468 > 1 7 Rb 0.00000000000000 0.86188547662776 0.75249010175984 85.468 > 1 8 Rb 0.33333333333333 0.86188547662776 0.75249010175984 85.468 > 1 9 Rb 0.66666666666667 0.86188547662776 0.75249010175984 85.468 > 1 10 Rb 0.16666666666667 0.63811452337224 0.25249010175984 85.468 > 10 11 Rb 0.50000000000000 0.63811452337224 0.25249010175984 85.468 > 10 12 Rb 0.83333333333333 0.63811452337224 0.25249010175984 85.468 > 10 13 Rb 0.16666666666667 0.63811452337224 0.58582343509318 85.468 > 10 14 Rb 0.50000000000000 0.63811452337224 0.58582343509318 85.468 > 10 15 Rb 0.83333333333333 0.63811452337224 0.58582343509318 85.468 > 10 16 Rb 0.16666666666667 0.63811452337224 0.91915676842651 85.468 > 10 17 Rb 0.50000000000000 0.63811452337224 0.91915676842651 85.468 > 10 18 Rb 0.83333333333333 0.63811452337224 0.91915676842651 85.468 > 10 19 Rb 0.16666666666667 0.36188547662775 0.08582343509318 85.468 > 1 20 Rb 0.50000000000000 0.36188547662775 0.08582343509318 85.468 > 1 21 Rb 0.83333333333333 0.36188547662775 0.08582343509318 85.468 > 1 22 Rb 0.16666666666667 0.36188547662775 0.41915676842651 85.468 > 1 23 Rb 0.50000000000000 0.36188547662775 0.41915676842651 85.468 > 1 24 Rb 0.83333333333333 0.36188547662775 0.41915676842651 85.468 > 1 25 Rb 0.16666666666667 0.36188547662775 0.75249010175984 85.468 > 1 26 Rb 0.50000000000000 0.36188547662775 0.75249010175984 85.468 > 1 27 Rb 0.83333333333333 0.36188547662775 0.75249010175984 85.468 > 1 28 Rb 0.00000000000000 0.13811452337225 0.25249010175984 85.468 > 10 29 Rb 0.33333333333333 0.13811452337225 0.25249010175984 85.468 > 10 30 Rb 0.66666666666667 0.13811452337225 0.25249010175984 85.468 > 10 31 Rb 0.00000000000000 0.13811452337225 0.58582343509318 85.468 > 10 32 Rb 0.33333333333333 0.13811452337225 0.58582343509318 85.468 > 10 33 Rb 0.66666666666667 0.13811452337225 0.58582343509318 85.468 > 10 34 Rb 0.00000000000000 0.13811452337225 0.91915676842651 85.468 > 10 35 Rb 0.33333333333333 0.13811452337225 0.91915676842651 85.468 > 10 36 Rb 0.66666666666667 0.13811452337225 0.91915676842651 85.468 > 10 37 H 0.00000000000000 0.52839951003498 0.13527804914632 1.008 > 37 38 H 0.33333333333333 0.52839951003498 0.13527804914632 1.008 > 37 39 H 0.66666666666667 0.52839951003498 0.13527804914632 1.008 > 37 40 H 0.00000000000000 0.52839951003498 0.46861138247965 1.008 > 37 41 H 0.33333333333333 0.52839951003498 0.46861138247965 1.008 > 37 42 H 0.66666666666667 0.52839951003498 0.46861138247965 1.008 > 37 43 H 0.00000000000000 0.52839951003498 0.80194471581299 1.008 > 37 44 H 0.33333333333333 0.52839951003498 0.80194471581299 1.008 > 37 45 H 0.66666666666667 0.52839951003498 0.80194471581299 1.008 > 37 46 H 0.16666666666667 0.97160048996502 0.30194471581299 1.008 > 46 47 H 0.50000000000000 0.97160048996502 0.30194471581299 1.008 > 46 48 H 0.83333333333333 0.97160048996502 0.30194471581299 1.008 > 46 49 H 0.16666666666667 0.97160048996502 0.63527804914632 1.008 > 46 50 H 0.50000000000000 0.97160048996502 0.63527804914632 1.008 > 46 51 H 0.83333333333333 0.97160048996502 0.63527804914632 1.008 > 46 52 H 0.16666666666667 0.97160048996502 0.96861138247965 1.008 > 46 53 H 0.50000000000000 0.97160048996502 0.96861138247965 1.008 > 46 54 H 0.83333333333333 0.97160048996502 0.96861138247965 1.008 > 46 55 H 0.16666666666667 0.02839951003498 0.13527804914632 1.008 > 37 56 H 0.50000000000000 0.02839951003498 0.13527804914632 1.008 > 37 57 H 0.83333333333333 0.02839951003498 0.13527804914632 1.008 > 37 58 H 0.16666666666667 0.02839951003498 0.46861138247965 1.008 > 37 59 H 0.50000000000000 0.02839951003498 0.46861138247965 1.008 > 37 60 H 0.83333333333333 0.02839951003498 0.46861138247965 1.008 > 37 61 H 0.16666666666667 0.02839951003498 0.80194471581299 1.008 > 37 62 H 0.50000000000000 0.02839951003498 0.80194471581299 1.008 > 37 63 H 0.83333333333333 0.02839951003498 0.80194471581299 1.008 > 37 64 H 0.00000000000000 0.47160048996502 0.30194471581299 1.008 > 46 65 H 0.33333333333333 0.47160048996502 0.30194471581299 1.008 > 46 66 H 0.66666666666667 0.47160048996502 0.30194471581299 1.008 > 46 67 H 0.00000000000000 0.47160048996502 0.63527804914632 1.008 > 46 68 H 0.33333333333333 0.47160048996502 0.63527804914632 1.008 > 46 69 H 0.66666666666667 0.47160048996502 0.63527804914632 1.008 > 46 70 H 0.00000000000000 0.47160048996502 0.96861138247965 1.008 > 46 71 H 0.33333333333333 0.47160048996502 0.96861138247965 1.008 > 46 72 H 0.66666666666667 0.47160048996502 0.96861138247965 1.008 > 46 73 O 0.00000000000000 0.59272624770842 0.07736284576050 15.999 > 73 74 O 0.33333333333333 0.59272624770842 0.07736284576050 15.999 > 73 75 O 0.66666666666667 0.59272624770842 0.07736284576050 15.999 > 73 76 O 0.00000000000000 0.59272624770842 0.41069617909383 15.999 > 73 77 O 0.33333333333333 0.59272624770842 0.41069617909383 15.999 > 73 78 O 0.66666666666667 0.59272624770842 0.41069617909383 15.999 > 73 79 O 0.00000000000000 0.59272624770842 0.74402951242717 15.999 > 73 80 O 0.33333333333333 0.59272624770842 0.74402951242717 15.999 > 73 81 O 0.66666666666667 0.59272624770842 0.74402951242717 15.999 > 73 82 O 0.16666666666667 0.90727375229158 0.24402951242717 15.999 > 82 83 O 0.50000000000000 0.90727375229158 0.24402951242717 15.999 > 82 84 O 0.83333333333333 0.90727375229158 0.24402951242717 15.999 > 82 85 O 0.16666666666667 0.90727375229158 0.57736284576050 15.999 > 82 86 O 0.50000000000000 0.90727375229158 0.57736284576050 15.999 > 82 87 O 0.83333333333333 0.90727375229158 0.57736284576050 15.999 > 82 88 O 0.16666666666667 0.90727375229158 0.91069617909383 15.999 > 82 89 O 0.50000000000000 0.90727375229158 0.91069617909383 15.999 > 82 90 O 0.83333333333333 0.90727375229158 0.91069617909383 15.999 > 82 91 O 0.16666666666667 0.09272624770842 0.07736284576050 15.999 > 73 92 O 0.50000000000000 0.09272624770842 0.07736284576050 15.999 > 73 93 O 0.83333333333333 0.09272624770842 0.07736284576050 15.999 > 73 94 O 0.16666666666667 0.09272624770842 0.41069617909383 15.999 > 73 95 O 0.50000000000000 0.09272624770842 0.41069617909383 15.999 > 73 96 O 0.83333333333333 0.09272624770842 0.41069617909383 15.999 > 73 97 O 0.16666666666667 0.09272624770842 0.74402951242717 15.999 > 73 98 O 0.50000000000000 0.09272624770842 0.74402951242717 15.999 > 73 99 O 0.83333333333333 0.09272624770842 0.74402951242717 15.999 > 73 100 O 0.00000000000000 0.40727375229158 0.24402951242717 15.999 > 82 101 O 0.33333333333333 0.40727375229158 0.24402951242717 15.999 > 82 102 O 0.66666666666667 0.40727375229158 0.24402951242717 15.999 > 82 103 O 0.00000000000000 0.40727375229158 0.57736284576050 15.999 > 82 104 O 0.33333333333333 0.40727375229158 0.57736284576050 15.999 > 82 105 O 0.66666666666667 0.40727375229158 0.57736284576050 15.999 > 82 106 O 0.00000000000000 0.40727375229158 0.91069617909383 15.999 > 82 107 O 0.33333333333333 0.40727375229158 0.91069617909383 15.999 > 82 108 O 0.66666666666667 0.40727375229158 0.91069617909383 15.999 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.7205814 0.0000000 0.0000000 0.0000000 2.7123282 0.0000000 0.0000000 0.0000000 2.7478598-------------------------- Born effective charges -------------------------- 1 Rb 1.2245619 0.0000000 0.0000000 0.0000000 1.2053318 0.0371366 0.0000000 0.0052257 1.1844212 2 Rb 1.2245619 0.0000000 0.0000000 0.0000000 1.2053318 -0.0371366 0.0000000 -0.0052257 1.1844212 3 H 0.2151383 0.0000000 0.0000000 0.0000000 0.4480365 -0.3431533 0.0000000 -0.3683719 0.6626189 4 H 0.2151383 0.0000000 0.0000000 0.0000000 0.4480365 0.3431533 0.0000000 0.3683719 0.6626189 5 O -1.4397002 0.0000000 0.0000000 0.0000000 -1.6533683 0.0190678 0.0000000 0.0005482 -1.8470401 6 O -1.4397002 0.0000000 0.0000000 0.0000000 -1.6533683 -0.0190678 0.0000000 -0.0005482 -1.8470401----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 20:36:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 20:36:25]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 1 3]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmc2_1 (36)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.072100085000000 -5.319527205000000 0.000000000000000 b 2.072100085000000 5.319527205000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.184463230000000Atomic positions (fractional): 1 Rb 0.13811452337224 0.86188547662776 0.25747030527953 85.468 2 Rb 0.86188547662776 0.13811452337224 0.75747030527953 85.468 3 H 0.47160048996502 0.52839951003498 0.40583414743896 1.008 4 H 0.52839951003498 0.47160048996502 0.90583414743896 1.008 5 O 0.40727375229158 0.59272624770842 0.23208853728150 15.999 6 O 0.59272624770842 0.40727375229158 0.73208853728150 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 12.432600510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.639054410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.553389690000001Atomic positions (fractional): 1 Rb 0.00000000000000 0.86188547662776 0.08582343509318 85.468 > 1 2 Rb 0.33333333333333 0.86188547662776 0.08582343509318 85.468 > 1 3 Rb 0.66666666666667 0.86188547662776 0.08582343509318 85.468 > 1 4 Rb 0.00000000000000 0.86188547662776 0.41915676842651 85.468 > 1 5 Rb 0.33333333333333 0.86188547662776 0.41915676842651 85.468 > 1 6 Rb 0.66666666666667 0.86188547662776 0.41915676842651 85.468 > 1 7 Rb 0.00000000000000 0.86188547662776 0.75249010175984 85.468 > 1 8 Rb 0.33333333333333 0.86188547662776 0.75249010175984 85.468 > 1 9 Rb 0.66666666666667 0.86188547662776 0.75249010175984 85.468 > 1 10 Rb 0.16666666666667 0.63811452337224 0.25249010175984 85.468 > 10 11 Rb 0.50000000000000 0.63811452337224 0.25249010175984 85.468 > 10 12 Rb 0.83333333333333 0.63811452337224 0.25249010175984 85.468 > 10 13 Rb 0.16666666666667 0.63811452337224 0.58582343509318 85.468 > 10 14 Rb 0.50000000000000 0.63811452337224 0.58582343509318 85.468 > 10 15 Rb 0.83333333333333 0.63811452337224 0.58582343509318 85.468 > 10 16 Rb 0.16666666666667 0.63811452337224 0.91915676842651 85.468 > 10 17 Rb 0.50000000000000 0.63811452337224 0.91915676842651 85.468 > 10 18 Rb 0.83333333333333 0.63811452337224 0.91915676842651 85.468 > 10 19 Rb 0.16666666666667 0.36188547662775 0.08582343509318 85.468 > 1 20 Rb 0.50000000000000 0.36188547662775 0.08582343509318 85.468 > 1 21 Rb 0.83333333333333 0.36188547662775 0.08582343509318 85.468 > 1 22 Rb 0.16666666666667 0.36188547662775 0.41915676842651 85.468 > 1 23 Rb 0.50000000000000 0.36188547662775 0.41915676842651 85.468 > 1 24 Rb 0.83333333333333 0.36188547662775 0.41915676842651 85.468 > 1 25 Rb 0.16666666666667 0.36188547662775 0.75249010175984 85.468 > 1 26 Rb 0.50000000000000 0.36188547662775 0.75249010175984 85.468 > 1 27 Rb 0.83333333333333 0.36188547662775 0.75249010175984 85.468 > 1 28 Rb 0.00000000000000 0.13811452337225 0.25249010175984 85.468 > 10 29 Rb 0.33333333333333 0.13811452337225 0.25249010175984 85.468 > 10 30 Rb 0.66666666666667 0.13811452337225 0.25249010175984 85.468 > 10 31 Rb 0.00000000000000 0.13811452337225 0.58582343509318 85.468 > 10 32 Rb 0.33333333333333 0.13811452337225 0.58582343509318 85.468 > 10 33 Rb 0.66666666666667 0.13811452337225 0.58582343509318 85.468 > 10 34 Rb 0.00000000000000 0.13811452337225 0.91915676842651 85.468 > 10 35 Rb 0.33333333333333 0.13811452337225 0.91915676842651 85.468 > 10 36 Rb 0.66666666666667 0.13811452337225 0.91915676842651 85.468 > 10 37 H 0.00000000000000 0.52839951003498 0.13527804914632 1.008 > 37 38 H 0.33333333333333 0.52839951003498 0.13527804914632 1.008 > 37 39 H 0.66666666666667 0.52839951003498 0.13527804914632 1.008 > 37 40 H 0.00000000000000 0.52839951003498 0.46861138247965 1.008 > 37 41 H 0.33333333333333 0.52839951003498 0.46861138247965 1.008 > 37 42 H 0.66666666666667 0.52839951003498 0.46861138247965 1.008 > 37 43 H 0.00000000000000 0.52839951003498 0.80194471581299 1.008 > 37 44 H 0.33333333333333 0.52839951003498 0.80194471581299 1.008 > 37 45 H 0.66666666666667 0.52839951003498 0.80194471581299 1.008 > 37 46 H 0.16666666666667 0.97160048996502 0.30194471581299 1.008 > 46 47 H 0.50000000000000 0.97160048996502 0.30194471581299 1.008 > 46 48 H 0.83333333333333 0.97160048996502 0.30194471581299 1.008 > 46 49 H 0.16666666666667 0.97160048996502 0.63527804914632 1.008 > 46 50 H 0.50000000000000 0.97160048996502 0.63527804914632 1.008 > 46 51 H 0.83333333333333 0.97160048996502 0.63527804914632 1.008 > 46 52 H 0.16666666666667 0.97160048996502 0.96861138247965 1.008 > 46 53 H 0.50000000000000 0.97160048996502 0.96861138247965 1.008 > 46 54 H 0.83333333333333 0.97160048996502 0.96861138247965 1.008 > 46 55 H 0.16666666666667 0.02839951003498 0.13527804914632 1.008 > 37 56 H 0.50000000000000 0.02839951003498 0.13527804914632 1.008 > 37 57 H 0.83333333333333 0.02839951003498 0.13527804914632 1.008 > 37 58 H 0.16666666666667 0.02839951003498 0.46861138247965 1.008 > 37 59 H 0.50000000000000 0.02839951003498 0.46861138247965 1.008 > 37 60 H 0.83333333333333 0.02839951003498 0.46861138247965 1.008 > 37 61 H 0.16666666666667 0.02839951003498 0.80194471581299 1.008 > 37 62 H 0.50000000000000 0.02839951003498 0.80194471581299 1.008 > 37 63 H 0.83333333333333 0.02839951003498 0.80194471581299 1.008 > 37 64 H 0.00000000000000 0.47160048996502 0.30194471581299 1.008 > 46 65 H 0.33333333333333 0.47160048996502 0.30194471581299 1.008 > 46 66 H 0.66666666666667 0.47160048996502 0.30194471581299 1.008 > 46 67 H 0.00000000000000 0.47160048996502 0.63527804914632 1.008 > 46 68 H 0.33333333333333 0.47160048996502 0.63527804914632 1.008 > 46 69 H 0.66666666666667 0.47160048996502 0.63527804914632 1.008 > 46 70 H 0.00000000000000 0.47160048996502 0.96861138247965 1.008 > 46 71 H 0.33333333333333 0.47160048996502 0.96861138247965 1.008 > 46 72 H 0.66666666666667 0.47160048996502 0.96861138247965 1.008 > 46 73 O 0.00000000000000 0.59272624770842 0.07736284576050 15.999 > 73 74 O 0.33333333333333 0.59272624770842 0.07736284576050 15.999 > 73 75 O 0.66666666666667 0.59272624770842 0.07736284576050 15.999 > 73 76 O 0.00000000000000 0.59272624770842 0.41069617909383 15.999 > 73 77 O 0.33333333333333 0.59272624770842 0.41069617909383 15.999 > 73 78 O 0.66666666666667 0.59272624770842 0.41069617909383 15.999 > 73 79 O 0.00000000000000 0.59272624770842 0.74402951242717 15.999 > 73 80 O 0.33333333333333 0.59272624770842 0.74402951242717 15.999 > 73 81 O 0.66666666666667 0.59272624770842 0.74402951242717 15.999 > 73 82 O 0.16666666666667 0.90727375229158 0.24402951242717 15.999 > 82 83 O 0.50000000000000 0.90727375229158 0.24402951242717 15.999 > 82 84 O 0.83333333333333 0.90727375229158 0.24402951242717 15.999 > 82 85 O 0.16666666666667 0.90727375229158 0.57736284576050 15.999 > 82 86 O 0.50000000000000 0.90727375229158 0.57736284576050 15.999 > 82 87 O 0.83333333333333 0.90727375229158 0.57736284576050 15.999 > 82 88 O 0.16666666666667 0.90727375229158 0.91069617909383 15.999 > 82 89 O 0.50000000000000 0.90727375229158 0.91069617909383 15.999 > 82 90 O 0.83333333333333 0.90727375229158 0.91069617909383 15.999 > 82 91 O 0.16666666666667 0.09272624770842 0.07736284576050 15.999 > 73 92 O 0.50000000000000 0.09272624770842 0.07736284576050 15.999 > 73 93 O 0.83333333333333 0.09272624770842 0.07736284576050 15.999 > 73 94 O 0.16666666666667 0.09272624770842 0.41069617909383 15.999 > 73 95 O 0.50000000000000 0.09272624770842 0.41069617909383 15.999 > 73 96 O 0.83333333333333 0.09272624770842 0.41069617909383 15.999 > 73 97 O 0.16666666666667 0.09272624770842 0.74402951242717 15.999 > 73 98 O 0.50000000000000 0.09272624770842 0.74402951242717 15.999 > 73 99 O 0.83333333333333 0.09272624770842 0.74402951242717 15.999 > 73 100 O 0.00000000000000 0.40727375229158 0.24402951242717 15.999 > 82 101 O 0.33333333333333 0.40727375229158 0.24402951242717 15.999 > 82 102 O 0.66666666666667 0.40727375229158 0.24402951242717 15.999 > 82 103 O 0.00000000000000 0.40727375229158 0.57736284576050 15.999 > 82 104 O 0.33333333333333 0.40727375229158 0.57736284576050 15.999 > 82 105 O 0.66666666666667 0.40727375229158 0.57736284576050 15.999 > 82 106 O 0.00000000000000 0.40727375229158 0.91069617909383 15.999 > 82 107 O 0.33333333333333 0.40727375229158 0.91069617909383 15.999 > 82 108 O 0.66666666666667 0.40727375229158 0.91069617909383 15.999 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.7205814 0.0000000 0.0000000 0.0000000 2.7123282 0.0000000 0.0000000 0.0000000 2.7478598-------------------------- Born effective charges -------------------------- 1 Rb 1.2245619 0.0000000 0.0000000 0.0000000 1.2053318 0.0371366 0.0000000 0.0052257 1.1844212 2 Rb 1.2245619 0.0000000 0.0000000 0.0000000 1.2053318 -0.0371366 0.0000000 -0.0052257 1.1844212 3 H 0.2151383 0.0000000 0.0000000 0.0000000 0.4480365 -0.3431533 0.0000000 -0.3683719 0.6626189 4 H 0.2151383 0.0000000 0.0000000 0.0000000 0.4480365 0.3431533 0.0000000 0.3683719 0.6626189 5 O -1.4397002 0.0000000 0.0000000 0.0000000 -1.6533683 0.0190678 0.0000000 0.0005482 -1.8470401 6 O -1.4397002 0.0000000 0.0000000 0.0000000 -1.6533683 -0.0190678 0.0000000 -0.0005482 -1.8470401----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 13 13 12 ]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: 0.92, Number of G-points: 313, Lambda: 0.16Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/343) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 -0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 -0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 -0.000) 0.000 24.229 ( 0.000 0.000 0.000) 0.000 27.157 ( 0.000 0.000 0.000) 0.000 28.538 ( 0.000 0.000 -0.000) 0.000 33.324 ( 0.000 0.000 0.000) 0.000 95.695 ( 0.000 0.000 0.000) 0.000 98.298 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/343) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.352 ( 10.886 -21.021 0.000) 23.673 0.454 ( 21.261 -6.913 0.000) 22.357 0.708 ( 35.620 -5.332 0.000) 36.017 2.154 ( 7.038 0.638 0.000) 7.067 2.483 ( -0.926 1.097 0.000) 1.435 3.263 ( -2.644 2.629 0.000) 3.729 3.673 ( 10.884 -0.219 0.000) 10.886 4.070 ( 1.294 -0.243 0.000) 1.316 4.550 ( -0.120 -2.451 0.000) 2.454 6.384 ( -0.344 -1.847 0.000) 1.879 7.468 ( 7.459 18.649 0.000) 20.085 7.994 ( -7.356 -10.876 0.000) 13.130 24.231 ( 0.083 -0.265 0.000) 0.277 27.158 ( 0.011 -0.106 0.000) 0.106 28.921 ( 5.854 13.923 0.000) 15.104 33.308 ( -4.318 -2.743 0.000) 5.116 95.694 ( -0.038 0.014 0.000) 0.041 98.371 ( -9.579 -20.784 0.000) 22.885======================= Grid point 2 (3/343) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( 11.868 -19.011 0.000) 22.411 0.881 ( 19.249 -6.530 0.000) 20.326 1.389 ( 33.385 -4.694 0.000) 33.713 2.293 ( 7.435 0.506 0.000) 7.452 2.448 ( -1.538 1.936 0.000) 2.472 3.163 ( -4.983 5.028 0.000) 7.079 3.968 ( 19.785 -0.464 0.000) 19.790 4.108 ( 2.421 -0.440 0.000) 2.461 4.579 ( 0.630 -5.001 0.000) 5.040 6.397 ( -0.300 -3.459 0.000) 3.472 7.466 ( 4.121 12.065 0.000) 12.749 7.916 ( -6.530 -4.157 0.000) 7.741 24.235 ( 0.062 -0.403 0.000) 0.407 27.160 ( 0.109 -0.261 0.000) 0.283 28.933 ( 3.471 6.448 0.000) 7.323 33.220 ( -6.236 -0.411 0.000) 6.250 95.693 ( -0.039 0.003 0.000) 0.039 98.332 ( -6.519 -10.034 0.000) 11.966======================= Grid point 3 (4/343) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.062 ( 12.513 -15.895 0.000) 20.229 1.256 ( 16.184 -5.870 0.000) 17.216 1.990 ( 27.433 -1.665 0.000) 27.483 2.400 ( -1.737 2.245 0.000) 2.839 2.420 ( 6.436 -1.920 0.000) 6.716 3.012 ( -6.675 6.133 0.000) 9.065 4.164 ( 3.176 -0.530 0.000) 3.220 4.348 ( 17.773 0.232 0.000) 17.775 4.678 ( 7.294 -7.594 0.000) 10.529 6.425 ( 0.215 -4.512 0.000) 4.517 7.434 ( 1.203 11.545 0.000) 11.608 7.828 ( -5.265 -2.903 0.000) 6.012 24.238 ( -0.070 -0.375 0.000) 0.382 27.166 ( 0.283 -0.441 0.000) 0.523 28.956 ( 2.882 3.566 0.000) 4.585 33.088 ( -7.583 0.772 0.000) 7.622 95.693 ( 0.002 -0.033 0.000) 0.033 98.278 ( -5.530 -6.186 0.000) 8.297======================= Grid point 4 (5/343) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( 12.087 -12.129 0.000) 17.124 1.561 ( 12.447 -4.921 0.000) 13.385 2.315 ( 7.990 4.492 0.000) 9.167 2.345 ( -2.001 2.464 0.000) 3.174 2.671 ( 17.352 -6.855 0.000) 18.657 2.836 ( -7.468 5.430 0.000) 9.233 4.229 ( 3.341 -0.558 0.000) 3.387 4.545 ( 4.712 -2.191 0.000) 5.197 4.998 ( 18.851 -5.743 0.000) 19.707 6.469 ( 0.878 -4.649 0.000) 4.731 7.341 ( -2.204 10.932 0.000) 11.152 7.773 ( -2.865 -2.448 0.000) 3.769 24.237 ( -0.208 -0.245 0.000) 0.321 27.176 ( 0.418 -0.540 0.000) 0.683 28.987 ( 2.472 1.874 0.000) 3.102 32.938 ( -7.459 1.355 0.000) 7.581 95.694 ( 0.052 -0.069 0.000) 0.086 98.221 ( -4.447 -3.948 0.000) 5.947======================= Grid point 5 (6/343) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 10.115 -8.327 0.000) 13.101 1.786 ( 8.286 -3.634 0.000) 9.048 2.287 ( -2.195 2.101 0.000) 3.038 2.352 ( 0.995 4.363 0.000) 4.475 2.669 ( -6.259 3.877 0.000) 7.362 3.025 ( 13.966 -4.850 0.000) 14.784 4.290 ( 2.699 -0.466 0.000) 2.739 4.620 ( 1.874 -2.814 0.000) 3.381 5.360 ( 15.073 -3.759 0.000) 15.535 6.519 ( 1.114 -3.624 0.000) 3.792 7.213 ( -3.436 8.232 0.000) 8.920 7.750 ( -1.343 -1.485 0.000) 2.003 24.234 ( -0.229 -0.112 0.000) 0.255 27.188 ( 0.387 -0.456 0.000) 0.598 29.018 ( 1.756 0.829 0.000) 1.942 32.805 ( -5.516 1.245 0.000) 5.654 95.696 ( 0.067 -0.071 0.000) 0.097 98.174 ( -2.920 -2.248 0.000) 3.685======================= Grid point 6 (7/343) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 5.139 -3.795 0.000) 6.389 1.913 ( 3.001 -1.471 0.000) 3.342 2.240 ( -1.270 1.013 0.000) 1.625 2.316 ( -1.141 2.890 0.000) 3.107 2.568 ( -2.349 0.952 0.000) 2.534 3.228 ( 5.011 -1.629 0.000) 5.269 4.329 ( 1.078 -0.193 0.000) 1.095 4.658 ( 0.592 -1.209 0.000) 1.346 5.578 ( 5.695 -1.464 0.000) 5.880 6.555 ( 0.523 -1.414 0.000) 1.508 7.118 ( -1.685 3.212 0.000) 3.627 7.740 ( -0.439 -0.479 0.000) 0.650 24.232 ( -0.099 -0.028 0.000) 0.103 27.195 ( 0.158 -0.180 0.000) 0.239 29.037 ( 0.644 0.221 0.000) 0.681 32.726 ( -2.039 0.502 0.000) 2.100 95.697 ( 0.030 -0.030 0.000) 0.043 98.148 ( -1.020 -0.734 0.000) 1.257======================= Grid point 14 (8/343) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( 16.091 -0.000 0.000) 16.091 0.832 ( 20.671 -0.000 0.000) 20.671 1.355 ( 34.764 -0.000 0.000) 34.764 2.296 ( 6.975 -0.000 0.000) 6.975 2.462 ( -1.657 0.000 0.000) 1.657 3.204 ( -4.886 0.000 0.000) 4.886 3.965 ( 19.949 -0.000 0.000) 19.949 4.105 ( 2.442 -0.000 0.000) 2.442 4.537 ( 0.319 -0.000 0.000) 0.319 6.367 ( -0.518 0.000 0.000) 0.518 7.580 ( 1.682 -0.000 0.000) 1.682 7.868 ( -4.982 0.000 0.000) 4.982 24.232 ( 0.115 -0.000 0.000) 0.115 27.158 ( 0.083 -0.000 0.000) 0.083 28.988 ( 0.644 -0.000 0.000) 0.644 33.215 ( -5.546 0.000 0.000) 5.546 95.694 ( -0.045 0.000 0.000) 0.045 98.248 ( -2.408 0.000 0.000) 2.408======================= Grid point 15 (9/343) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( 16.633 -7.187 0.000) 18.119 1.197 ( 17.556 -2.104 0.000) 17.682 1.972 ( 30.758 -0.632 0.000) 30.764 2.398 ( 3.899 -0.684 0.000) 3.959 2.424 ( -1.985 0.771 0.000) 2.129 3.083 ( -6.876 2.920 0.000) 7.471 4.159 ( 3.221 -0.169 0.000) 3.226 4.349 ( 17.311 -0.070 0.000) 17.311 4.598 ( 8.086 -3.021 0.000) 8.632 6.369 ( -0.101 -2.358 0.000) 2.360 7.583 ( 1.383 7.585 0.000) 7.710 7.775 ( -6.170 -3.837 0.000) 7.266 24.234 ( 0.033 -0.137 0.000) 0.141 27.161 ( 0.257 -0.164 0.000) 0.305 28.997 ( 1.198 1.628 0.000) 2.022 33.095 ( -7.212 0.191 0.000) 7.215 95.693 ( -0.011 -0.001 0.000) 0.011 98.209 ( -3.115 -2.727 0.000) 4.140======================= Grid point 16 (10/343) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( 15.733 -7.919 0.000) 17.613 1.506 ( 13.744 -2.649 0.000) 13.997 2.371 ( -1.898 1.467 0.000) 2.398 2.384 ( 7.424 4.690 0.000) 8.781 2.569 ( 18.041 -6.715 0.000) 19.250 2.916 ( -7.636 4.691 0.000) 8.962 4.223 ( 3.417 -0.291 0.000) 3.430 4.510 ( 3.284 -2.260 0.000) 3.987 4.940 ( 21.433 -2.447 0.000) 21.572 6.397 ( 0.471 -4.290 0.000) 4.315 7.500 ( -3.116 10.435 0.000) 10.890 7.722 ( -2.729 -4.624 0.000) 5.369 24.234 ( -0.104 -0.151 0.000) 0.183 27.170 ( 0.456 -0.315 0.000) 0.554 29.011 ( 1.464 1.303 0.000) 1.960 32.953 ( -7.446 0.703 0.000) 7.479 95.693 ( 0.049 -0.026 0.000) 0.055 98.172 ( -2.873 -2.572 0.000) 3.856======================= Grid point 17 (11/343) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( 13.162 -6.424 0.000) 14.646 1.742 ( 9.631 -2.372 0.000) 9.919 2.312 ( -2.794 1.299 0.000) 3.081 2.410 ( 0.689 3.429 0.000) 3.497 2.719 ( -7.812 2.686 0.000) 8.261 2.972 ( 16.364 -2.247 0.000) 16.517 4.285 ( 2.838 -0.323 0.000) 2.857 4.579 ( 2.542 -2.614 0.000) 3.646 5.321 ( 16.882 -1.779 0.000) 16.976 6.444 ( 0.452 -5.648 0.000) 5.666 7.346 ( -5.043 9.197 0.000) 10.489 7.720 ( -0.714 -2.570 0.000) 2.667 24.233 ( -0.171 -0.114 0.000) 0.206 27.182 ( 0.536 -0.340 0.000) 0.634 29.029 ( 1.193 0.744 0.000) 1.406 32.820 ( -5.910 0.848 0.000) 5.970 95.695 ( 0.087 -0.040 0.000) 0.096 98.144 ( -1.720 -1.781 0.000) 2.475======================= Grid point 18 (12/343) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( 8.591 -4.060 0.000) 9.503 1.893 ( 4.993 -1.229 0.000) 5.142 2.253 ( -2.451 0.786 0.000) 2.573 2.370 ( -2.172 4.212 0.000) 4.739 2.580 ( -4.512 0.670 0.000) 4.562 3.213 ( 7.777 -0.479 0.000) 7.792 4.327 ( 1.335 -0.173 0.000) 1.346 4.640 ( 2.293 -1.225 0.000) 2.600 5.565 ( 8.077 -0.332 0.000) 8.084 6.487 ( -0.710 -6.598 0.000) 6.636 7.202 ( -3.552 7.226 0.000) 8.051 7.728 ( 0.087 -1.210 0.000) 1.213 24.231 ( -0.085 -0.083 0.000) 0.119 27.193 ( 0.403 -0.170 0.000) 0.437 29.041 ( 0.337 0.306 0.000) 0.455 32.733 ( -2.750 0.396 0.000) 2.779 95.697 ( 0.075 -0.017 0.000) 0.076 98.137 ( 0.044 -0.717 0.000) 0.718======================= Grid point 19 (13/343) =======================q-point: (-0.54 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( -0.294 1.603 0.000) 1.630 1.933 ( -0.554 1.234 0.000) 1.353 2.225 ( -0.313 -1.030 0.000) 1.076 2.299 ( -1.938 0.811 0.000) 2.101 2.551 ( 0.629 -1.461 0.000) 1.590 3.259 ( -2.023 2.570 0.000) 3.271 4.332 ( -0.784 0.180 0.000) 0.804 4.673 ( 0.999 0.932 0.000) 1.366 5.608 ( -2.764 2.697 0.000) 3.862 6.510 ( -2.117 -7.026 0.000) 7.338 7.126 ( -0.127 3.782 0.000) 3.784 7.742 ( 0.852 -0.262 0.000) 0.891 24.231 ( 0.120 -0.046 0.000) 0.128 27.198 ( 0.101 0.144 0.000) 0.176 29.035 ( -0.937 -0.065 0.000) 0.939 32.719 ( 1.275 -0.496 0.000) 1.368 95.698 ( 0.019 0.038 0.000) 0.042 98.157 ( 2.097 0.567 0.000) 2.172======================= Grid point 20 (14/343) =======================q-point: (-0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -6.895 7.741 0.000) 10.367 1.846 ( -6.337 4.690 0.000) 7.883 2.252 ( 1.258 -2.764 0.000) 3.037 2.292 ( -1.358 -3.687 0.000) 3.929 2.612 ( 3.607 -3.905 0.000) 5.316 3.107 ( -10.560 6.223 0.000) 12.257 4.298 ( -2.496 0.527 0.000) 2.551 4.656 ( -1.774 2.169 0.000) 2.802 5.432 ( -12.157 6.168 0.000) 13.632 6.512 ( -2.535 -5.440 0.000) 6.002 7.140 ( 2.378 -1.118 0.000) 2.628 7.764 ( 1.599 0.487 0.000) 1.671 24.236 ( 0.312 0.055 0.000) 0.317 27.194 ( -0.209 0.457 0.000) 0.502 29.007 ( -2.295 -0.624 0.000) 2.378 32.785 ( 5.000 -1.377 0.000) 5.186 95.697 ( -0.034 0.092 0.000) 0.098 98.206 ( 4.148 2.088 0.000) 4.644======================= Grid point 21 (15/343) =======================q-point: (-0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( -8.639 12.347 0.000) 15.069 1.646 ( -10.487 6.821 0.000) 12.510 2.253 ( -6.822 -3.902 0.000) 7.859 2.302 ( 1.392 -3.567 0.000) 3.829 2.697 ( -4.443 -4.450 0.000) 6.289 2.837 ( -5.712 6.858 0.000) 8.925 4.239 ( -3.206 0.732 0.000) 3.289 4.567 ( -7.170 0.887 0.000) 7.224 5.107 ( -15.291 9.243 0.000) 17.867 6.496 ( -2.180 -2.304 0.000) 3.172 7.213 ( 2.230 -5.619 0.000) 6.045 7.797 ( 2.682 0.980 0.000) 2.855 24.241 ( 0.368 0.257 0.000) 0.449 27.185 ( -0.368 0.623 0.000) 0.723 28.961 ( -3.471 -1.658 0.000) 3.847 32.915 ( 7.369 -1.784 0.000) 7.581 95.695 ( -0.044 0.114 0.000) 0.122 98.279 ( 6.032 3.928 0.000) 7.198======================= Grid point 22 (16/343) =======================q-point: (-0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.306 ( -9.018 16.616 0.000) 18.905 1.363 ( -13.770 8.966 0.000) 16.432 2.018 ( -20.959 2.115 0.000) 21.065 2.354 ( 1.346 -3.908 0.000) 4.133 2.456 ( -10.939 2.885 0.000) 11.313 2.925 ( 6.370 -5.369 0.000) 8.331 4.174 ( -3.084 0.824 0.000) 3.192 4.341 ( -17.694 -0.793 0.000) 17.712 4.807 ( -7.820 10.001 0.000) 12.696 6.468 ( -1.605 0.118 0.000) 1.609 7.284 ( -0.259 -7.917 0.000) 7.921 7.856 ( 4.661 1.024 0.000) 4.772 24.244 ( 0.263 0.517 0.000) 0.580 27.174 ( -0.332 0.592 0.000) 0.679 28.904 ( -4.575 -3.379 0.000) 5.688 33.072 ( 7.917 -1.502 0.000) 8.058 95.694 ( -0.006 0.098 0.000) 0.098 98.372 ( 7.914 6.323 0.000) 10.130======================= Grid point 23 (17/343) =======================q-point: (-0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( -11.831 16.218 0.000) 20.075 1.015 ( -13.476 14.801 0.000) 20.017 1.497 ( -27.780 10.619 0.000) 29.740 2.278 ( -9.127 -1.545 0.000) 9.257 2.406 ( 1.188 -3.812 0.000) 3.993 3.081 ( 5.727 -5.791 0.000) 8.144 3.975 ( -19.364 0.395 0.000) 19.368 4.118 ( -2.349 0.893 0.000) 2.512 4.661 ( -2.910 5.949 0.000) 6.622 6.436 ( -1.372 0.851 0.000) 1.615 7.307 ( -3.762 -8.406 0.000) 9.209 7.956 ( 6.902 1.234 0.000) 7.011 24.243 ( 0.091 0.719 0.000) 0.725 27.165 ( -0.189 0.430 0.000) 0.469 28.837 ( -6.489 -6.006 0.000) 8.841 33.219 ( 6.968 -0.606 0.000) 6.994 95.694 ( 0.047 0.070 0.000) 0.084 98.485 ( 10.872 9.832 0.000) 14.659======================= Grid point 24 (18/343) =======================q-point: (-0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( -15.131 14.746 0.000) 21.127 0.656 ( -16.192 15.706 0.000) 22.558 0.909 ( -19.309 23.853 0.000) 30.689 2.130 ( -7.902 -2.860 0.000) 8.403 2.451 ( 0.780 -3.262 0.000) 3.354 3.213 ( 4.547 -3.793 0.000) 5.922 3.677 ( -11.528 0.204 0.000) 11.529 4.078 ( -1.213 0.803 0.000) 1.455 4.584 ( -2.751 1.742 0.000) 3.256 6.403 ( -1.926 -0.115 0.000) 1.930 7.259 ( -8.268 -7.825 0.000) 11.383 8.091 ( 8.967 2.267 0.000) 9.249 24.238 ( -0.015 0.745 0.000) 0.745 27.160 ( -0.067 0.251 0.000) 0.260 28.731 ( -11.885 -9.103 0.000) 14.970 33.336 ( 5.615 0.519 0.000) 5.639 95.695 ( 0.073 0.061 0.000) 0.095 98.660 ( 18.785 14.207 0.000) 23.552======================= Grid point 25 (19/343) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.238 ( 0.000 16.362 0.000) 16.362 0.304 ( 0.000 20.896 0.000) 20.896 0.522 ( 0.000 35.692 0.000) 35.692 2.066 ( -0.000 -2.411 0.000) 2.411 2.479 ( -0.000 -2.296 0.000) 2.296 3.287 ( -0.000 -1.384 0.000) 1.384 3.567 ( -0.000 -0.671 0.000) 0.671 4.062 ( 0.000 0.606 0.000) 0.606 4.539 ( -0.000 -0.327 0.000) 0.327 6.375 ( -0.000 -0.870 0.000) 0.870 7.130 ( 0.000 1.782 0.000) 1.782 8.225 ( -0.000 -1.871 0.000) 1.871 24.233 ( 0.000 0.565 0.000) 0.565 27.158 ( 0.000 0.141 0.000) 0.141 28.541 ( 0.000 0.443 0.000) 0.443 33.414 ( -0.000 -1.099 0.000) 1.099 95.695 ( 0.000 0.052 0.000) 0.052 98.956 ( -0.000 -0.478 0.000) 0.478======================= Grid point 28 (20/343) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( 17.434 -0.000 0.000) 17.434 1.487 ( 14.212 -0.000 0.000) 14.212 2.380 ( -2.672 0.000 0.000) 2.672 2.441 ( 1.214 -0.000 0.000) 1.214 2.498 ( 25.144 -0.000 0.000) 25.144 2.953 ( -7.837 0.000 0.000) 7.837 4.221 ( 3.437 -0.000 0.000) 3.437 4.491 ( 3.016 -0.000 0.000) 3.016 4.923 ( 22.256 -0.000 0.000) 22.256 6.364 ( 0.434 -0.000 0.000) 0.434 7.620 ( -7.906 0.000 0.000) 7.906 7.647 ( 1.636 -0.000 0.000) 1.636 24.233 ( -0.069 0.000 0.000) 0.069 27.168 ( 0.470 -0.000 0.000) 0.470 29.021 ( 1.021 -0.000 0.000) 1.021 32.958 ( -7.420 0.000 0.000) 7.420 95.693 ( 0.044 -0.000 0.000) 0.044 98.153 ( -2.186 0.000 0.000) 2.186======================= Grid point 29 (21/343) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( 15.175 -2.435 0.000) 15.369 1.718 ( 10.342 -0.828 0.000) 10.375 2.324 ( -3.087 0.438 0.000) 3.118 2.446 ( 0.162 1.358 0.000) 1.368 2.741 ( -6.390 0.558 0.000) 6.414 2.958 ( 15.668 -0.166 0.000) 15.669 4.281 ( 2.903 -0.116 0.000) 2.906 4.551 ( 3.239 -1.106 0.000) 3.422 5.305 ( 17.721 -0.479 0.000) 17.727 6.381 ( 0.222 -2.458 0.000) 2.468 7.454 ( -7.226 4.665 0.000) 8.601 7.682 ( 0.787 -2.098 0.000) 2.241 24.231 ( -0.143 -0.048 0.000) 0.151 27.178 ( 0.620 -0.126 0.000) 0.633 29.037 ( 0.819 0.302 0.000) 0.873 32.829 ( -6.117 0.298 0.000) 6.124 95.695 ( 0.096 -0.012 0.000) 0.096 98.126 ( -0.955 -0.684 0.000) 1.175======================= Grid point 30 (22/343) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( 10.663 -2.472 0.000) 10.946 1.879 ( 6.210 -0.689 0.000) 6.249 2.262 ( -3.149 0.425 0.000) 3.177 2.426 ( -1.172 3.086 0.000) 3.301 2.586 ( -7.305 0.089 0.000) 7.305 3.212 ( 9.721 0.197 0.000) 9.723 4.325 ( 1.518 -0.103 0.000) 1.522 4.624 ( 3.674 -0.809 0.000) 3.762 5.565 ( 9.802 0.199 0.000) 9.804 6.397 ( -1.756 -5.078 0.000) 5.373 7.298 ( -5.189 5.329 0.000) 7.438 7.708 ( 0.828 -1.307 0.000) 1.547 24.229 ( -0.078 -0.071 0.000) 0.105 27.191 ( 0.576 -0.105 0.000) 0.586 29.045 ( 0.099 0.222 0.000) 0.243 32.737 ( -3.248 0.215 0.000) 3.255 95.697 ( 0.104 -0.006 0.000) 0.104 98.128 ( 0.833 -0.450 0.000) 0.947======================= Grid point 31 (23/343) =======================q-point: ( 0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( 4.302 -0.428 0.000) 4.323 1.950 ( 1.213 1.026 0.000) 1.589 2.212 ( -2.000 -0.782 0.000) 2.147 2.336 ( -4.518 3.992 0.000) 6.029 2.522 ( -1.016 -2.696 0.000) 2.881 3.298 ( 0.520 2.580 0.000) 2.631 4.335 ( -0.508 0.140 0.000) 0.527 4.684 ( 2.216 0.562 0.000) 2.286 5.653 ( 0.640 3.267 0.000) 3.329 6.386 ( -4.532 -8.835 0.000) 9.930 7.197 ( -1.477 5.057 0.000) 5.268 7.734 ( 1.266 -0.655 0.000) 1.426 24.230 ( 0.141 -0.076 0.000) 0.160 27.199 ( 0.316 0.087 0.000) 0.328 29.035 ( -1.159 0.037 0.000) 1.160 32.713 ( 0.634 -0.365 0.000) 0.732 95.698 ( 0.062 0.032 0.000) 0.070 98.164 ( 2.956 0.331 0.000) 2.974======================= Grid point 32 (24/343) =======================q-point: (-0.54 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -4.292 5.138 0.000) 6.695 1.919 ( -3.059 4.962 0.000) 5.830 2.209 ( -0.061 -3.116 0.000) 3.117 2.256 ( -2.715 -0.835 0.000) 2.841 2.554 ( 1.321 -4.276 0.000) 4.476 3.197 ( -7.733 5.975 0.000) 9.773 4.305 ( -2.275 0.488 0.000) 2.326 4.681 ( -2.150 1.335 0.000) 2.531 5.538 ( -8.157 8.415 0.000) 11.720 6.373 ( -4.860 -12.546 0.000) 13.454 7.169 ( 1.630 3.889 0.000) 4.217 7.765 ( 1.753 -0.162 0.000) 1.761 24.236 ( 0.404 -0.005 0.000) 0.404 27.200 ( -0.040 0.358 0.000) 0.360 29.000 ( -2.690 -0.334 0.000) 2.710 32.767 ( 4.482 -1.181 0.000) 4.635 95.698 ( 0.002 0.087 0.000) 0.087 98.233 ( 5.125 1.524 0.000) 5.347======================= Grid point 33 (25/343) =======================q-point: (-0.46 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( -7.637 8.217 0.000) 11.218 1.768 ( -6.646 10.006 0.000) 12.012 2.205 ( -5.354 -2.657 0.000) 5.977 2.243 ( 0.388 -4.497 0.000) 4.514 2.616 ( -0.140 -6.024 0.000) 6.026 2.956 ( -10.466 8.429 0.000) 13.438 4.250 ( -3.047 0.760 0.000) 3.140 4.573 ( -9.352 0.009 0.000) 9.352 5.262 ( -12.243 12.070 0.000) 17.192 6.386 ( -3.645 -12.240 0.000) 12.772 7.190 ( 2.640 1.889 0.000) 3.246 7.804 ( 2.421 0.055 0.000) 2.421 24.244 ( 0.557 0.203 0.000) 0.593 27.193 ( -0.314 0.561 0.000) 0.643 28.941 ( -4.158 -1.078 0.000) 4.296 32.888 ( 7.176 -1.798 0.000) 7.398 95.697 ( -0.027 0.130 0.000) 0.133 98.330 ( 7.145 3.040 0.000) 7.765======================= Grid point 34 (26/343) =======================q-point: (-0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -10.985 10.042 0.000) 14.883 1.545 ( -7.799 14.264 0.000) 16.257 2.048 ( -12.959 2.037 0.000) 13.119 2.288 ( 0.530 -5.313 0.000) 5.339 2.495 ( -13.327 2.084 0.000) 13.489 2.868 ( 3.822 -2.277 0.000) 4.449 4.187 ( -2.980 0.954 0.000) 3.129 4.326 ( -17.394 -1.137 0.000) 17.431 4.962 ( -9.798 11.320 0.000) 14.971 6.404 ( -2.857 -8.822 0.000) 9.273 7.227 ( 1.720 -0.031 0.000) 1.721 7.861 ( 3.882 -0.252 0.000) 3.890 24.252 ( 0.513 0.532 0.000) 0.739 27.182 ( -0.394 0.600 0.000) 0.718 28.863 ( -5.470 -2.234 0.000) 5.908 33.046 ( 8.044 -1.925 0.000) 8.272 95.696 ( -0.001 0.142 0.000) 0.142 98.453 ( 9.069 4.741 0.000) 10.234======================= Grid point 35 (27/343) =======================q-point: (-0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( -12.697 12.866 0.000) 18.076 1.259 ( -12.743 14.384 0.000) 19.217 1.695 ( -15.969 15.991 0.000) 22.599 2.251 ( -12.073 -2.009 0.000) 12.239 2.339 ( 0.591 -5.523 0.000) 5.555 3.001 ( 6.153 -5.341 0.000) 8.148 3.977 ( -18.875 -0.169 0.000) 18.876 4.133 ( -2.241 1.156 0.000) 2.522 4.746 ( -7.105 5.832 0.000) 9.192 6.403 ( -2.837 -5.370 0.000) 6.074 7.244 ( -0.352 -0.502 0.000) 0.613 7.956 ( 5.897 -1.023 0.000) 5.986 24.255 ( 0.316 0.871 0.000) 0.926 27.172 ( -0.301 0.490 0.000) 0.575 28.769 ( -6.938 -3.412 0.000) 7.731 33.203 ( 7.130 -1.634 0.000) 7.315 95.695 ( 0.057 0.131 0.000) 0.143 98.601 ( 11.304 6.156 0.000) 12.871======================= Grid point 36 (28/343) =======================q-point: (-0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.843 ( -20.700 12.042 0.000) 23.948 0.852 ( -10.503 16.773 0.000) 19.790 1.314 ( -6.386 29.364 0.000) 30.050 2.073 ( -9.245 -4.914 0.000) 10.470 2.389 ( 0.496 -5.306 0.000) 5.329 3.154 ( 6.150 -4.466 0.000) 7.601 3.677 ( -12.560 -0.252 0.000) 12.563 4.093 ( -1.122 1.195 0.000) 1.639 4.601 ( -6.071 0.753 0.000) 6.118 6.378 ( -3.044 -3.134 0.000) 4.368 7.218 ( -2.135 0.998 0.000) 2.357 8.087 ( 6.455 -2.120 0.000) 6.794 24.251 ( 0.106 1.063 0.000) 1.068 27.164 ( -0.149 0.336 0.000) 0.368 28.651 ( -8.245 -2.913 0.000) 8.745 33.327 ( 4.853 -1.485 0.000) 5.075 95.696 ( 0.087 0.114 0.000) 0.143 98.789 ( 13.175 5.022 0.000) 14.100======================= Grid point 37 (29/343) =======================q-point: (-0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.472 ( 0.000 16.058 0.000) 16.058 0.602 ( 0.000 20.178 0.000) 20.178 1.027 ( 0.000 33.953 0.000) 33.953 2.014 ( -0.000 -4.731 0.000) 4.731 2.430 ( -0.000 -4.499 0.000) 4.499 3.256 ( -0.000 -2.890 0.000) 2.890 3.553 ( -0.000 -1.194 0.000) 1.194 4.074 ( 0.000 1.083 0.000) 1.083 4.532 ( -0.000 -0.577 0.000) 0.577 6.356 ( -0.000 -1.679 0.000) 1.679 7.168 ( 0.000 3.432 0.000) 3.432 8.186 ( -0.000 -3.564 0.000) 3.564 24.245 ( 0.000 1.010 0.000) 1.010 27.161 ( 0.000 0.251 0.000) 0.251 28.550 ( 0.000 0.783 0.000) 0.783 33.391 ( -0.000 -1.954 0.000) 1.954 95.696 ( 0.000 0.093 0.000) 0.093 98.947 ( -0.000 -0.847 0.000) 0.847======================= Grid point 42 (30/343) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 11.378 -0.000 0.000) 11.378 1.874 ( 6.622 -0.000 0.000) 6.622 2.265 ( -3.377 0.000 0.000) 3.377 2.450 ( -0.041 0.000 0.000) 0.041 2.585 ( -9.034 0.000 0.000) 9.034 3.214 ( 10.400 -0.000 0.000) 10.400 4.324 ( 1.586 -0.000 0.000) 1.586 4.618 ( 4.220 -0.000 0.000) 4.220 5.567 ( 10.481 -0.000 0.000) 10.481 6.358 ( -2.213 0.000 0.000) 2.213 7.340 ( -5.997 0.000 0.000) 5.997 7.697 ( 1.318 -0.000 0.000) 1.318 24.229 ( -0.076 0.000 0.000) 0.076 27.190 ( 0.639 -0.000 0.000) 0.639 29.046 ( 0.008 -0.000 0.000) 0.008 32.739 ( -3.426 0.000 0.000) 3.426 95.697 ( 0.114 -0.000 0.000) 0.114 98.125 ( 1.126 -0.000 0.000) 1.126======================= Grid point 43 (31/343) =======================q-point: ( 0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 6.116 -0.387 0.000) 6.128 1.960 ( 2.651 0.388 0.000) 2.679 2.204 ( -3.171 -0.295 0.000) 3.185 2.402 ( -5.606 4.632 0.000) 7.272 2.473 ( -1.876 -3.908 0.000) 4.335 3.326 ( 1.953 1.118 0.000) 2.250 4.336 ( -0.333 0.057 0.000) 0.338 4.689 ( 2.884 0.185 0.000) 2.890 5.693 ( 3.679 1.735 0.000) 4.068 6.286 ( -7.045 -4.051 0.000) 8.127 7.252 ( -2.271 2.132 0.000) 3.115 7.726 ( 1.609 -0.369 0.000) 1.651 24.230 ( 0.154 -0.036 0.000) 0.158 27.200 ( 0.438 0.028 0.000) 0.439 29.035 ( -1.278 0.030 0.000) 1.279 32.709 ( 0.270 -0.134 0.000) 0.302 95.698 ( 0.086 0.013 0.000) 0.087 98.167 ( 3.429 0.105 0.000) 3.431======================= Grid point 44 (32/343) =======================q-point: (-0.62 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( -1.994 3.467 0.000) 3.999 1.971 ( 0.417 2.018 0.000) 2.061 2.165 ( -1.790 -2.656 0.000) 3.203 2.271 ( -4.777 2.530 0.000) 5.405 2.490 ( -0.077 -4.291 0.000) 4.292 3.270 ( -6.034 3.724 0.000) 7.091 4.311 ( -2.100 0.309 0.000) 2.122 4.695 ( -2.589 0.614 0.000) 2.661 5.668 ( -2.779 9.077 0.000) 9.493 6.184 ( -8.883 -12.404 0.000) 15.257 7.225 ( 1.135 3.200 0.000) 3.396 7.761 ( 1.876 -0.321 0.000) 1.903 24.236 ( 0.476 -0.023 0.000) 0.477 27.204 ( 0.079 0.194 0.000) 0.210 28.997 ( -2.916 -0.120 0.000) 2.918 32.753 ( 4.100 -0.681 0.000) 4.156 95.699 ( 0.030 0.053 0.000) 0.061 98.249 ( 5.731 0.785 0.000) 5.785======================= Grid point 45 (33/343) =======================q-point: (-0.54 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( -6.119 6.928 0.000) 9.244 1.900 ( -4.110 7.352 0.000) 8.423 2.170 ( -1.237 -4.549 0.000) 4.714 2.186 ( -4.031 -0.568 0.000) 4.070 2.529 ( 0.084 -5.781 0.000) 5.782 3.065 ( -11.145 6.264 0.000) 12.785 4.260 ( -2.908 0.597 0.000) 2.969 4.571 ( -10.744 -0.225 0.000) 10.746 5.453 ( -10.313 14.276 0.000) 17.612 6.171 ( -4.242 -16.683 0.000) 17.214 7.237 ( 2.655 3.699 0.000) 4.554 7.801 ( 2.161 -0.365 0.000) 2.192 24.247 ( 0.727 0.120 0.000) 0.737 27.200 ( -0.269 0.385 0.000) 0.470 28.930 ( -4.530 -0.529 0.000) 4.561 32.865 ( 6.967 -1.331 0.000) 7.093 95.699 ( -0.008 0.103 0.000) 0.103 98.366 ( 7.759 1.841 0.000) 7.975======================= Grid point 46 (34/343) =======================q-point: (-0.46 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( -8.912 9.870 0.000) 13.298 1.725 ( -8.007 10.264 0.000) 13.017 2.077 ( -6.699 1.941 0.000) 6.974 2.202 ( -0.501 -6.403 0.000) 6.422 2.507 ( -8.612 -0.404 0.000) 8.621 2.861 ( -3.443 1.083 0.000) 3.609 4.200 ( -2.873 0.877 0.000) 3.004 4.310 ( -17.252 -1.083 0.000) 17.286 5.130 ( -13.091 11.715 0.000) 17.568 6.236 ( -1.225 -13.358 0.000) 13.414 7.261 ( 2.640 3.787 0.000) 4.617 7.852 ( 3.010 -0.924 0.000) 3.148 24.259 ( 0.763 0.426 0.000) 0.874 27.190 ( -0.449 0.480 0.000) 0.657 28.839 ( -5.769 -1.149 0.000) 5.882 33.019 ( 8.039 -1.765 0.000) 8.231 95.698 ( 0.004 0.136 0.000) 0.136 98.508 ( 9.323 2.911 0.000) 9.767======================= Grid point 47 (35/343) =======================q-point: (-0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( -9.952 13.065 0.000) 16.424 1.435 ( -15.498 10.540 0.000) 18.743 1.913 ( -5.253 11.667 0.000) 12.795 2.233 ( -8.607 -2.262 0.000) 8.899 2.257 ( -6.489 -2.274 0.000) 6.876 2.923 ( 5.282 -5.529 0.000) 7.646 3.971 ( -18.560 -0.698 0.000) 18.573 4.149 ( -2.100 1.126 0.000) 2.383 4.829 ( -12.159 5.556 0.000) 13.369 6.298 ( -0.855 -8.384 0.000) 8.428 7.274 ( 1.588 3.902 0.000) 4.213 7.932 ( 4.424 -2.231 0.000) 4.955 24.267 ( 0.566 0.821 0.000) 0.998 27.179 ( -0.411 0.446 0.000) 0.607 28.735 ( -6.422 -1.516 0.000) 6.598 33.176 ( 7.097 -1.932 0.000) 7.355 95.697 ( 0.053 0.143 0.000) 0.153 98.667 ( 10.211 3.253 0.000) 10.717======================= Grid point 48 (36/343) =======================q-point: (-0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( -18.504 12.319 0.000) 22.230 1.095 ( -7.592 16.547 0.000) 18.205 1.719 ( -1.308 25.399 0.000) 25.432 1.995 ( -11.304 -4.915 0.000) 12.326 2.299 ( 0.108 -7.088 0.000) 7.089 3.081 ( 6.626 -5.678 0.000) 8.726 3.669 ( -13.465 -0.831 0.000) 13.491 4.111 ( -1.050 1.313 0.000) 1.681 4.610 ( -8.711 0.544 0.000) 8.728 6.322 ( -1.279 -4.235 0.000) 4.423 7.262 ( 0.318 4.396 0.000) 4.407 8.041 ( 4.472 -3.950 0.000) 5.966 24.268 ( 0.257 1.143 0.000) 1.171 27.170 ( -0.228 0.353 0.000) 0.420 28.628 ( -5.642 -0.650 0.000) 5.679 33.299 ( 4.389 -2.117 0.000) 4.872 95.698 ( 0.075 0.129 0.000) 0.150 98.833 ( 8.969 1.595 0.000) 9.110======================= Grid point 49 (37/343) =======================q-point: (-0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( 0.000 15.560 0.000) 15.560 0.886 ( 0.000 18.982 0.000) 18.982 1.498 ( 0.000 31.079 0.000) 31.079 1.930 ( -0.000 -6.875 0.000) 6.875 2.350 ( -0.000 -6.501 0.000) 6.501 3.202 ( -0.000 -4.656 0.000) 4.656 3.534 ( -0.000 -1.450 0.000) 1.450 4.092 ( 0.000 1.330 0.000) 1.330 4.523 ( -0.000 -0.693 0.000) 0.693 6.327 ( -0.000 -2.276 0.000) 2.276 7.228 ( 0.000 4.756 0.000) 4.756 8.124 ( -0.000 -4.874 0.000) 4.874 24.261 ( 0.000 1.236 0.000) 1.236 27.165 ( 0.000 0.304 0.000) 0.304 28.563 ( 0.000 0.942 0.000) 0.942 33.359 ( -0.000 -2.372 0.000) 2.372 95.698 ( 0.000 0.113 0.000) 0.113 98.933 ( -0.000 -1.023 0.000) 1.023======================= Grid point 56 (38/343) =======================q-point: (-0.69 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( -0.736 0.000 0.000) 0.736 1.983 ( 1.831 -0.000 0.000) 1.831 2.143 ( -3.042 0.000 0.000) 3.042 2.300 ( -5.812 0.000 0.000) 5.812 2.451 ( -0.252 0.000 0.000) 0.252 3.297 ( -5.493 0.000 0.000) 5.493 4.314 ( -2.033 0.000 0.000) 2.033 4.700 ( -2.772 0.000 0.000) 2.772 5.754 ( 2.764 -0.000 0.000) 2.764 6.072 ( -13.905 0.000 0.000) 13.905 7.249 ( 0.956 -0.000 0.000) 0.956 7.759 ( 1.931 -0.000 0.000) 1.931 24.235 ( 0.504 -0.000 0.000) 0.504 27.206 ( 0.123 -0.000 0.000) 0.123 28.996 ( -2.988 0.000 0.000) 2.988 32.748 ( 3.959 -0.000 0.000) 3.959 95.700 ( 0.041 -0.000 0.000) 0.041 98.255 ( 5.934 -0.000 0.000) 5.934======================= Grid point 58 (39/343) =======================q-point: (-0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( -4.335 4.147 0.000) 5.999 1.969 ( -2.907 2.171 0.000) 3.629 2.104 ( -2.242 -3.493 0.000) 4.150 2.201 ( -4.276 1.572 0.000) 4.556 2.459 ( 0.183 -3.207 0.000) 3.213 3.128 ( -11.372 2.308 0.000) 11.603 4.266 ( -2.831 0.231 0.000) 2.840 4.568 ( -11.398 -0.108 0.000) 11.399 5.671 ( -10.831 15.561 0.000) 18.959 5.924 ( -2.947 -16.692 0.000) 16.950 7.279 ( 2.589 1.614 0.000) 3.051 7.796 ( 1.987 -0.222 0.000) 1.999 24.248 ( 0.829 0.038 0.000) 0.830 27.204 ( -0.243 0.136 0.000) 0.279 28.925 ( -4.682 -0.149 0.000) 4.684 32.852 ( 6.833 -0.490 0.000) 6.851 95.700 ( 0.003 0.039 0.000) 0.039 98.383 ( 8.014 0.609 0.000) 8.038======================= Grid point 59 (40/343) =======================q-point: (-0.54 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( -7.043 8.242 0.000) 10.841 1.837 ( -8.579 5.104 0.000) 9.982 2.101 ( -3.684 -1.124 0.000) 3.852 2.110 ( -2.992 -3.502 0.000) 4.606 2.490 ( -0.593 -1.523 0.000) 1.634 2.885 ( -10.595 1.742 0.000) 10.737 4.211 ( -2.725 0.554 0.000) 2.781 4.297 ( -17.338 -0.665 0.000) 17.351 5.289 ( -18.186 9.521 0.000) 20.528 6.050 ( 3.449 -11.170 0.000) 11.690 7.314 ( 2.868 2.983 0.000) 4.138 7.838 ( 2.256 -0.840 0.000) 2.407 24.264 ( 0.951 0.234 0.000) 0.979 27.196 ( -0.485 0.265 0.000) 0.553 28.828 ( -5.823 -0.440 0.000) 5.839 32.998 ( 8.000 -1.046 0.000) 8.068 95.700 ( 0.006 0.082 0.000) 0.082 98.538 ( 9.250 1.343 0.000) 9.347======================= Grid point 60 (41/343) =======================q-point: (-0.46 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( -7.956 11.658 0.000) 14.115 1.571 ( -14.708 8.275 0.000) 16.876 1.982 ( -7.726 -0.906 0.000) 7.779 2.135 ( -1.007 -7.772 0.000) 7.837 2.361 ( -7.856 11.940 0.000) 14.292 2.836 ( 2.734 -6.632 0.000) 7.174 3.959 ( -18.509 -0.759 0.000) 18.525 4.164 ( -1.957 0.810 0.000) 2.118 4.903 ( -17.149 4.405 0.000) 17.706 6.182 ( 3.186 -7.104 0.000) 7.786 7.337 ( 2.201 4.187 0.000) 4.730 7.897 ( 2.968 -2.349 0.000) 3.785 24.278 ( 0.784 0.583 0.000) 0.977 27.184 ( -0.495 0.311 0.000) 0.584 28.721 ( -5.910 -0.533 0.000) 5.934 33.150 ( 7.057 -1.496 0.000) 7.214 95.699 ( 0.042 0.108 0.000) 0.116 98.701 ( 9.149 1.493 0.000) 9.270======================= Grid point 61 (42/343) =======================q-point: (-0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( -15.728 12.161 0.000) 19.881 1.324 ( -5.752 14.979 0.000) 16.045 1.847 ( -8.517 -6.568 0.000) 10.756 2.121 ( -2.920 19.002 0.000) 19.225 2.191 ( -0.500 -5.674 0.000) 5.696 2.986 ( 6.323 -7.594 0.000) 9.881 3.655 ( -14.003 -1.087 0.000) 14.045 4.129 ( -0.993 1.121 0.000) 1.497 4.618 ( -10.949 0.514 0.000) 10.961 6.263 ( 1.284 -3.821 0.000) 4.031 7.333 ( 1.010 5.101 0.000) 5.200 7.979 ( 2.907 -4.413 0.000) 5.285 24.283 ( 0.405 0.958 0.000) 1.040 27.174 ( -0.294 0.292 0.000) 0.415 28.625 ( -4.316 0.080 0.000) 4.317 33.270 ( 4.201 -1.898 0.000) 4.609 95.699 ( 0.057 0.110 0.000) 0.124 98.845 ( 6.701 0.372 0.000) 6.711======================= Grid point 62 (43/343) =======================q-point: (-0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( 0.000 14.872 0.000) 14.872 1.148 ( 0.000 17.209 0.000) 17.209 1.816 ( -0.000 -8.772 0.000) 8.772 1.920 ( 0.000 27.059 0.000) 27.059 2.244 ( -0.000 -8.020 0.000) 8.020 3.119 ( -0.000 -6.836 0.000) 6.836 3.513 ( -0.000 -1.377 0.000) 1.377 4.111 ( 0.000 1.286 0.000) 1.286 4.513 ( -0.000 -0.650 0.000) 0.650 6.293 ( -0.000 -2.419 0.000) 2.419 7.303 ( 0.000 5.433 0.000) 5.433 8.048 ( -0.000 -5.508 0.000) 5.508 24.279 ( 0.000 1.182 0.000) 1.182 27.170 ( 0.000 0.289 0.000) 0.289 28.576 ( 0.000 0.885 0.000) 0.885 33.325 ( -0.000 -2.249 0.000) 2.249 95.699 ( 0.000 0.108 0.000) 0.108 98.918 ( -0.000 -0.964 0.000) 0.964======================= Grid point 71 (44/343) =======================q-point: (-0.62 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( -6.234 0.000 0.000) 6.234 1.873 ( -8.376 0.000 0.000) 8.376 2.047 ( -2.080 0.000 0.000) 2.080 2.120 ( -6.128 0.000 0.000) 6.128 2.477 ( 3.302 -0.000 0.000) 3.302 2.900 ( -13.087 0.000 0.000) 13.087 4.215 ( -2.617 0.000 0.000) 2.617 4.292 ( -17.448 0.000 0.000) 17.448 5.369 ( -22.455 0.000 0.000) 22.455 5.958 ( 7.666 -0.000 0.000) 7.666 7.337 ( 2.933 -0.000 0.000) 2.933 7.831 ( 1.940 -0.000 0.000) 1.940 24.266 ( 1.020 -0.000 0.000) 1.020 27.198 ( -0.497 0.000 0.000) 0.497 28.825 ( -5.823 0.000 0.000) 5.823 32.990 ( 7.981 -0.000 0.000) 7.981 95.700 ( 0.007 -0.000 0.000) 0.007 98.548 ( 9.192 -0.000 0.000) 9.192======================= Grid point 73 (45/343) =======================q-point: (-0.54 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( -12.405 3.978 0.000) 13.027 1.693 ( -6.742 6.391 0.000) 9.290 1.947 ( -13.105 -2.277 0.000) 13.301 2.034 ( -1.440 -5.069 0.000) 5.270 2.530 ( 2.263 9.659 0.000) 9.920 2.733 ( -3.121 -6.914 0.000) 7.585 3.951 ( -18.576 -0.321 0.000) 18.579 4.172 ( -1.869 0.294 0.000) 1.892 4.949 ( -20.587 1.754 0.000) 20.661 6.107 ( 6.417 -2.792 0.000) 6.998 7.382 ( 2.483 1.787 0.000) 3.059 7.870 ( 1.981 -1.067 0.000) 2.250 24.283 ( 0.911 0.210 0.000) 0.935 27.187 ( -0.540 0.111 0.000) 0.551 28.717 ( -5.642 -0.115 0.000) 5.644 33.135 ( 7.040 -0.558 0.000) 7.062 95.700 ( 0.033 0.040 0.000) 0.052 98.714 ( 8.574 0.424 0.000) 8.584======================= Grid point 74 (46/343) =======================q-point: (-0.46 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( -12.775 10.864 0.000) 16.770 1.518 ( -4.667 11.176 0.000) 12.111 1.729 ( -12.333 -8.784 0.000) 15.141 2.062 ( -0.689 -7.756 0.000) 7.787 2.427 ( 0.276 18.608 0.000) 18.610 2.857 ( 5.645 -10.334 0.000) 11.775 3.641 ( -14.210 -0.766 0.000) 14.231 4.142 ( -0.947 0.646 0.000) 1.146 4.624 ( -12.588 0.347 0.000) 12.592 6.217 ( 3.262 -2.264 0.000) 3.971 7.399 ( 1.329 3.643 0.000) 3.877 7.921 ( 1.733 -3.212 0.000) 3.650 24.294 ( 0.514 0.545 0.000) 0.749 27.178 ( -0.339 0.165 0.000) 0.377 28.627 ( -3.712 0.169 0.000) 3.716 33.247 ( 4.139 -1.103 0.000) 4.283 95.701 ( 0.042 0.063 0.000) 0.076 98.847 ( 5.600 0.019 0.000) 5.600======================= Grid point 75 (47/343) =======================q-point: (-0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 0.000 13.943 0.000) 13.943 1.378 ( 0.000 14.280 0.000) 14.280 1.678 ( -0.000 -10.338 0.000) 10.338 2.115 ( -0.000 -8.310 0.000) 8.310 2.284 ( 0.000 21.895 0.000) 21.895 3.002 ( -0.000 -9.460 0.000) 9.460 3.495 ( -0.000 -0.983 0.000) 0.983 4.128 ( 0.000 0.939 0.000) 0.939 4.504 ( -0.000 -0.460 0.000) 0.460 6.261 ( -0.000 -1.894 0.000) 1.894 7.379 ( 0.000 4.879 0.000) 4.879 7.971 ( -0.000 -4.913 0.000) 4.913 24.294 ( 0.000 0.848 0.000) 0.848 27.173 ( 0.000 0.206 0.000) 0.206 28.587 ( 0.000 0.626 0.000) 0.626 33.297 ( -0.000 -1.604 0.000) 1.604 95.701 ( 0.000 0.078 0.000) 0.078 98.906 ( -0.000 -0.684 0.000) 0.684======================= Grid point 86 (48/343) =======================q-point: (-0.54 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( -9.244 0.000 0.000) 9.244 1.611 ( -4.604 0.000 0.000) 4.604 1.638 ( -15.564 0.000 0.000) 15.564 1.993 ( -0.770 0.000 0.000) 0.770 2.631 ( -1.278 0.000 0.000) 1.278 2.714 ( 7.706 -0.000 0.000) 7.706 3.635 ( -14.250 0.000 0.000) 14.250 4.147 ( -0.929 0.000 0.000) 0.929 4.627 ( -13.204 0.000 0.000) 13.204 6.201 ( 3.994 -0.000 0.000) 3.994 7.427 ( 1.492 -0.000 0.000) 1.492 7.896 ( 1.243 -0.000 0.000) 1.243 24.298 ( 0.554 -0.000 0.000) 0.554 27.179 ( -0.354 0.000 0.000) 0.354 28.629 ( -3.539 0.000 0.000) 3.539 33.239 ( 4.126 -0.000 0.000) 4.126 95.701 ( 0.036 -0.000 0.000) 0.036 98.847 ( 5.270 -0.000 0.000) 5.270======================= Grid point 88 (49/343) =======================q-point: (-0.46 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( 0.000 11.848 0.000) 11.848 1.522 ( -0.000 -10.658 0.000) 10.658 1.542 ( 0.000 7.109 0.000) 7.109 2.006 ( -0.000 -5.250 0.000) 5.250 2.560 ( 0.000 14.772 0.000) 14.772 2.851 ( -0.000 -10.355 0.000) 10.355 3.486 ( -0.000 -0.356 0.000) 0.356 4.137 ( 0.000 0.346 0.000) 0.346 4.500 ( -0.000 -0.165 0.000) 0.165 6.241 ( -0.000 -0.723 0.000) 0.723 7.433 ( 0.000 2.159 0.000) 2.159 7.916 ( -0.000 -2.167 0.000) 2.167 24.303 ( 0.000 0.308 0.000) 0.308 27.175 ( 0.000 0.075 0.000) 0.075 28.594 ( 0.000 0.226 0.000) 0.226 33.281 ( -0.000 -0.581 0.000) 0.581 95.701 ( 0.000 0.028 0.000) 0.028 98.899 ( -0.000 -0.247 0.000) 0.247======================= Grid point 175 (50/343) =======================q-point: ( 0.00 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.427 ( 0.000 0.000 21.955) 21.955 0.458 ( 0.000 0.000 22.579) 22.579 0.670 ( 0.000 0.000 32.865) 32.865 2.122 ( 0.000 0.000 3.611) 3.611 2.523 ( 0.000 0.000 2.696) 2.696 3.271 ( 0.000 0.000 -2.707) 2.707 3.588 ( 0.000 0.000 1.697) 1.697 4.498 ( 0.000 0.000 -4.114) 4.114 4.539 ( 0.000 0.000 -0.177) 0.177 5.904 ( 0.000 0.000 2.080) 2.080 7.605 ( 0.000 0.000 5.660) 5.660 8.006 ( 0.000 0.000 -2.592) 2.592 24.741 ( 0.000 0.000 13.443) 13.443 27.176 ( 0.000 0.000 1.872) 1.872 28.512 ( 0.000 0.000 -2.531) 2.531 33.157 ( 0.000 0.000 -16.593) 16.593 96.848 ( 0.000 0.000 1.687) 1.687 98.260 ( 0.000 0.000 -3.718) 3.718======================= Grid point 176 (51/343) =======================q-point: ( 0.08 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.454 ( 11.195 0.983 12.461) 16.780 0.580 ( 8.716 -13.820 15.750) 22.694 1.043 ( 25.331 -6.135 23.845) 35.326 2.182 ( 6.105 0.850 2.641) 6.706 2.511 ( -0.911 0.876 2.744) 3.021 3.236 ( -2.532 2.916 -2.623) 4.669 3.689 ( 10.865 0.028 1.640) 10.988 4.340 ( -7.251 4.402 13.818) 16.214 4.512 ( -0.553 -3.584 -3.228) 4.855 6.147 ( 12.074 -1.783 -12.139) 17.214 7.500 ( 2.784 22.802 3.884) 23.298 8.021 ( -8.510 -19.645 0.199) 21.410 24.551 ( -8.749 2.935 22.937) 24.724 27.178 ( 0.222 -0.109 2.069) 2.084 28.713 ( 12.201 3.478 -11.781) 17.313 33.135 ( -3.212 -1.157 -16.848) 17.190 96.275 ( -25.235 12.838 30.255) 41.437 98.301 ( -4.512 -13.396 -5.741) 15.256======================= Grid point 177 (52/343) =======================q-point: ( 0.15 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( 14.524 -8.639 3.247) 17.208 0.907 ( 15.058 -11.945 6.592) 20.320 1.581 ( 27.322 -4.868 15.951) 32.009 2.296 ( 5.693 0.647 0.308) 5.738 2.483 ( -0.607 2.047 3.366) 3.986 3.139 ( -4.761 4.925 -2.334) 7.236 3.980 ( 19.629 -0.191 1.173) 19.665 4.256 ( -1.031 1.279 11.497) 11.613 4.540 ( 0.403 -5.137 -3.364) 6.153 6.300 ( 4.701 -1.557 -8.172) 9.555 7.416 ( 2.985 17.202 -2.562) 17.646 7.969 ( -8.967 -12.337 3.117) 15.567 24.443 ( -2.726 0.655 19.395) 19.596 27.186 ( 0.498 -0.284 2.637) 2.699 28.844 ( 6.124 4.017 -7.559) 10.525 33.054 ( -5.788 -0.085 -16.450) 17.439 95.941 ( -7.920 3.839 20.374) 22.194 98.285 ( -5.299 -8.585 -4.573) 11.077======================= Grid point 178 (53/343) =======================q-point: ( 0.23 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 13.466 -10.999 1.597) 17.460 1.269 ( 15.106 -8.907 2.770) 17.753 2.091 ( 23.502 -1.554 9.173) 25.277 2.354 ( 0.586 0.311 -2.282) 2.376 2.490 ( 3.812 0.504 4.669) 6.049 2.995 ( -6.397 5.750 -1.675) 8.763 4.250 ( 0.979 0.339 7.325) 7.398 4.361 ( 17.891 0.375 1.225) 17.937 4.629 ( 6.460 -7.356 -4.523) 10.785 6.382 ( 3.096 -2.341 -4.268) 5.769 7.340 ( 0.324 13.315 -6.956) 15.026 7.886 ( -7.330 -7.412 3.836) 11.107 24.409 ( -1.123 0.053 16.736) 16.774 27.201 ( 0.782 -0.484 3.488) 3.607 28.912 ( 4.225 2.809 -4.123) 6.537 32.928 ( -7.233 0.889 -15.929) 17.516 95.834 ( -2.788 1.343 13.026) 13.389 98.239 ( -4.928 -5.629 -3.806) 8.394======================= Grid point 179 (54/343) =======================q-point: ( 0.31 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.398 ( 12.386 -9.357 0.402) 15.528 1.580 ( 12.066 -6.779 2.176) 14.010 2.308 ( -0.601 1.735 -1.080) 2.131 2.388 ( 5.880 4.743 4.440) 8.763 2.696 ( 15.505 -6.292 2.348) 16.897 2.827 ( -7.005 5.414 -0.716) 8.882 4.272 ( 1.415 -0.174 3.734) 3.997 4.547 ( 3.920 -2.382 0.084) 4.587 4.945 ( 19.067 -4.946 -5.026) 20.329 6.457 ( 3.172 -2.652 -1.491) 4.395 7.230 ( -2.811 10.351 -9.213) 14.139 7.813 ( -4.965 -4.330 2.780) 7.150 24.393 ( -0.664 -0.052 15.450) 15.465 27.221 ( 0.920 -0.596 4.455) 4.588 28.965 ( 3.273 1.655 -2.112) 4.232 32.784 ( -7.157 1.399 -15.392) 17.032 95.795 ( -1.101 0.548 9.655) 9.733 98.189 ( -4.039 -3.680 -3.216) 6.340======================= Grid point 180 (55/343) =======================q-point: ( 0.38 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( 10.094 -6.519 -0.659) 12.034 1.808 ( 7.810 -4.553 1.962) 9.251 2.267 ( -1.601 1.285 -1.145) 2.351 2.413 ( 1.110 4.650 4.996) 6.915 2.664 ( -6.424 3.082 -0.525) 7.144 3.018 ( 12.891 -3.987 -0.480) 13.502 4.301 ( 1.364 -0.314 0.833) 1.629 4.612 ( 1.522 -2.808 -0.796) 3.291 5.301 ( 14.926 -3.150 -5.680) 16.278 6.536 ( 3.179 -2.246 1.156) 4.060 7.097 ( -4.219 7.150 -10.447) 13.344 7.764 ( -2.926 -2.199 0.839) 3.755 24.384 ( -0.420 -0.033 14.861) 14.867 27.241 ( 0.762 -0.504 5.308) 5.386 29.008 ( 2.197 0.803 -0.980) 2.536 32.655 ( -5.302 1.255 -14.931) 15.894 95.779 ( -0.429 0.227 8.091) 8.105 98.147 ( -2.659 -2.123 -2.754) 4.377======================= Grid point 181 (56/343) =======================q-point: ( 0.46 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 5.630 -3.253 -1.217) 6.616 1.918 ( 1.423 -0.948 0.278) 1.732 2.251 ( 0.427 -0.476 1.193) 1.354 2.370 ( -1.779 3.537 4.832) 6.247 2.567 ( -2.236 0.587 -0.084) 2.314 3.203 ( 4.637 -1.374 -2.245) 5.332 4.322 ( 0.594 -0.157 -0.807) 1.014 4.646 ( 0.469 -1.170 -1.219) 1.754 5.513 ( 5.589 -1.214 -6.308) 8.515 6.597 ( 1.660 -1.019 3.917) 4.374 6.993 ( -2.315 2.800 -11.980) 12.518 7.737 ( -1.022 -0.659 -0.578) 1.347 24.378 ( -0.150 -0.008 14.639) 14.639 27.254 ( 0.298 -0.199 5.812) 5.823 29.032 ( 0.785 0.230 -0.473) 0.945 32.579 ( -1.962 0.502 -14.661) 14.800 95.773 ( -0.112 0.062 7.449) 7.451 98.123 ( -0.928 -0.698 -2.490) 2.748======================= Grid point 189 (57/343) =======================q-point: ( 0.08 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( 12.270 -0.000 12.490) 17.509 0.812 ( 19.715 -0.000 1.465) 19.769 1.546 ( 28.947 -0.000 15.830) 32.993 2.300 ( 5.222 -0.000 0.411) 5.238 2.498 ( -0.637 0.000 3.451) 3.509 3.179 ( -4.806 0.000 -2.518) 5.426 3.978 ( 19.725 -0.000 1.317) 19.769 4.269 ( -1.925 0.000 12.696) 12.841 4.497 ( 0.363 -0.000 -3.675) 3.693 6.283 ( 4.283 -0.000 -6.663) 7.921 7.622 ( 0.841 -0.000 4.015) 4.102 7.804 ( -6.794 0.000 -5.584) 8.794 24.449 ( -3.318 0.000 19.904) 20.178 27.184 ( 0.468 -0.000 2.622) 2.663 28.877 ( 5.099 -0.000 -9.064) 10.400 33.053 ( -5.344 0.000 -16.198) 17.057 95.974 ( -10.499 0.000 22.234) 24.588 98.214 ( -2.252 0.000 -3.418) 4.093======================= Grid point 190 (58/343) =======================q-point: ( 0.15 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( 14.862 -5.065 7.080) 17.224 1.181 ( 17.901 -3.075 -0.351) 18.166 2.075 ( 26.877 -0.602 9.249) 28.430 2.353 ( 0.446 -0.149 -2.154) 2.205 2.499 ( 1.180 0.450 5.049) 5.205 3.061 ( -6.685 2.712 -2.191) 7.540 4.257 ( 0.452 0.385 8.344) 8.365 4.364 ( 17.584 0.037 1.412) 17.641 4.550 ( 7.311 -3.072 -4.472) 9.105 6.345 ( 2.229 -1.793 -2.251) 3.640 7.549 ( -1.336 14.600 -4.259) 15.268 7.747 ( -5.627 -11.686 -1.417) 13.047 24.410 ( -1.279 0.036 17.104) 17.151 27.196 ( 0.753 -0.179 3.448) 3.534 28.943 ( 3.154 1.251 -4.870) 5.935 32.936 ( -6.946 0.253 -15.798) 17.259 95.850 ( -3.717 0.609 14.232) 14.722 98.177 ( -2.858 -2.451 -3.190) 4.935======================= Grid point 191 (59/343) =======================q-point: ( 0.23 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( 14.789 -6.353 3.525) 16.477 1.505 ( 14.193 -3.512 0.260) 14.623 2.326 ( -1.624 0.826 -2.265) 2.907 2.456 ( 7.474 4.749 5.020) 10.179 2.608 ( 14.953 -5.724 3.680) 16.429 2.902 ( -7.212 4.256 -1.449) 8.499 4.272 ( 1.273 0.107 4.262) 4.449 4.509 ( 2.693 -2.411 -0.178) 3.619 4.896 ( 21.458 -1.994 -4.102) 21.937 6.403 ( 1.989 -3.687 0.456) 4.214 7.397 ( -4.418 11.650 -9.465) 15.647 7.732 ( -3.256 -6.721 0.587) 7.492 24.393 ( -0.680 -0.034 15.654) 15.669 27.214 ( 0.961 -0.346 4.396) 4.513 28.986 ( 2.493 1.132 -2.373) 3.623 32.799 ( -7.180 0.737 -15.337) 16.950 95.802 ( -1.459 0.372 10.321) 10.430 98.143 ( -2.616 -2.383 -2.882) 4.564======================= Grid point 192 (60/343) =======================q-point: ( 0.31 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( 12.518 -5.258 1.244) 13.634 1.753 ( 9.877 -2.916 1.104) 10.357 2.279 ( -2.460 0.534 -2.048) 3.245 2.476 ( 0.775 3.840 5.270) 6.566 2.708 ( -7.547 2.601 -1.043) 8.051 2.972 ( 14.638 -2.212 0.076) 14.805 4.298 ( 1.396 -0.114 1.070) 1.763 4.572 ( 2.330 -2.532 -0.702) 3.512 5.269 ( 16.480 -1.426 -5.022) 17.287 6.469 ( 1.375 -5.468 2.307) 6.092 7.229 ( -5.103 9.633 -11.049) 15.522 7.722 ( -1.744 -3.437 -0.151) 3.857 24.383 ( -0.421 -0.054 14.955) 14.961 27.235 ( 0.926 -0.374 5.252) 5.347 29.019 ( 1.703 0.708 -1.020) 2.107 32.671 ( -5.711 0.858 -14.917) 15.996 95.782 ( -0.591 0.188 8.448) 8.471 98.118 ( -1.540 -1.675 -2.585) 3.444======================= Grid point 193 (61/343) =======================q-point: ( 0.38 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( 8.205 -3.163 -0.303) 8.798 1.904 ( 4.352 -0.970 0.812) 4.532 2.240 ( -1.395 -0.777 -0.445) 1.658 2.432 ( -2.731 4.609 5.048) 7.361 2.578 ( -3.622 0.792 -0.109) 3.710 3.188 ( 6.846 -0.702 -2.254) 7.242 4.320 ( 0.810 -0.080 -0.723) 1.088 4.629 ( 2.168 -1.094 -1.084) 2.659 5.503 ( 7.600 -0.202 -6.065) 9.726 6.522 ( -1.022 -7.387 3.063) 8.062 7.086 ( -2.676 8.275 -10.960) 13.991 7.721 ( -0.240 -1.542 -0.905) 1.804 24.378 ( -0.167 -0.063 14.666) 14.667 27.251 ( 0.568 -0.188 5.787) 5.818 29.036 ( 0.473 0.307 -0.465) 0.731 32.586 ( -2.674 0.397 -14.661) 14.908 95.774 ( -0.206 0.065 7.569) 7.572 98.113 ( 0.083 -0.677 -2.434) 2.528======================= Grid point 194 (62/343) =======================q-point: (-0.54 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( -1.889 2.251 -1.425) 3.266 1.930 ( 0.958 0.784 -0.104) 1.242 2.241 ( -0.698 -2.085 1.424) 2.620 2.348 ( -1.873 0.923 4.499) 4.960 2.561 ( 1.288 -0.333 0.981) 1.654 3.227 ( -2.242 1.862 -2.938) 4.138 4.325 ( -0.333 0.208 -0.816) 0.905 4.662 ( 1.125 1.004 -1.196) 1.925 5.539 ( -3.119 2.310 -6.756) 7.792 6.530 ( -4.441 -8.876 1.207) 9.998 7.026 ( 1.860 6.000 -9.014) 10.987 7.740 ( 1.632 -0.269 -0.442) 1.712 24.378 ( 0.139 -0.062 14.614) 14.615 27.257 ( -0.011 0.159 5.835) 5.837 29.030 ( -1.089 -0.078 -0.490) 1.197 32.572 ( 1.196 -0.495 -14.660) 14.717 95.772 ( 0.019 -0.044 7.330) 7.330 98.132 ( 1.953 0.544 -2.534) 3.245======================= Grid point 195 (63/343) =======================q-point: (-0.46 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( -7.733 6.309 -2.268) 10.235 1.879 ( -4.820 5.069 2.271) 7.354 2.242 ( 0.170 -2.238 -0.604) 2.324 2.349 ( -1.293 -3.889 5.085) 6.531 2.624 ( 4.378 -2.420 0.961) 5.094 3.083 ( -10.277 4.920 -1.997) 11.568 4.307 ( -1.247 0.458 0.687) 1.495 4.650 ( -1.272 2.281 -0.728) 2.711 5.362 ( -12.350 5.299 -6.733) 15.031 6.494 ( -5.810 -8.235 -2.574) 10.402 7.058 ( 4.199 1.967 -6.716) 8.161 7.785 ( 3.511 0.834 1.568) 3.935 24.384 ( 0.436 -0.022 14.755) 14.761 27.249 ( -0.564 0.506 5.374) 5.427 28.997 ( -2.680 -0.621 -0.965) 2.915 32.636 ( 4.773 -1.384 -14.941) 15.746 95.775 ( 0.271 -0.199 7.691) 7.698 98.177 ( 3.810 1.982 -2.923) 5.194======================= Grid point 196 (64/343) =======================q-point: (-0.38 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -10.229 9.331 -2.569) 14.082 1.696 ( -9.021 8.913 3.841) 13.251 2.276 ( 0.370 -2.716 -0.438) 2.776 2.320 ( -5.104 -4.601 4.206) 8.057 2.729 ( -1.677 -4.149 2.673) 5.213 2.816 ( -7.348 6.400 -1.527) 9.863 4.277 ( -1.472 0.457 3.328) 3.668 4.572 ( -6.419 1.066 0.376) 6.517 5.041 ( -15.429 8.311 -6.341) 18.637 6.439 ( -5.619 -6.177 -6.032) 10.301 7.133 ( 3.293 -2.181 -5.759) 6.983 7.858 ( 5.495 1.996 4.600) 7.439 24.394 ( 0.678 0.045 15.182) 15.197 27.230 ( -0.863 0.690 4.538) 4.671 28.942 ( -4.058 -1.497 -1.864) 4.710 32.760 ( 7.033 -1.820 -15.448) 17.070 95.787 ( 0.733 -0.517 8.834) 8.879 98.243 ( 5.490 3.688 -3.584) 7.522======================= Grid point 197 (65/343) =======================q-point: (-0.31 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( -12.295 11.765 -3.306) 17.336 1.428 ( -11.237 12.419 5.237) 17.548 2.116 ( -17.114 1.786 8.865) 19.356 2.333 ( 0.353 -2.916 -1.820) 3.455 2.496 ( -9.655 1.664 3.618) 10.444 2.913 ( 6.151 -5.075 -1.059) 8.044 4.249 ( -1.465 0.124 6.397) 6.564 4.353 ( -17.534 -0.810 1.159) 17.591 4.752 ( -6.931 9.531 -5.152) 12.861 6.375 ( -5.430 -4.380 -9.096) 11.463 7.198 ( 0.478 -5.311 -5.148) 7.412 7.963 ( 7.899 3.413 7.561) 11.455 24.409 ( 0.964 0.011 16.154) 16.183 27.209 ( -0.836 0.656 3.562) 3.717 28.870 ( -5.326 -2.758 -3.241) 6.818 32.910 ( 7.506 -1.593 -16.077) 17.814 95.815 ( 1.735 -1.325 11.314) 11.523 98.325 ( 7.045 5.861 -4.540) 10.227======================= Grid point 198 (66/343) =======================q-point: (-0.23 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.910 ( -14.400 13.101 -3.471) 19.775 1.112 ( -11.755 15.015 7.548) 20.508 1.689 ( -21.817 10.133 15.877) 28.822 2.280 ( -7.160 -1.617 0.158) 7.342 2.439 ( 0.274 -4.038 3.092) 5.094 3.059 ( 5.175 -5.539 -2.024) 7.846 3.983 ( -19.344 0.155 0.884) 19.365 4.242 ( 0.008 -0.559 10.034) 10.050 4.623 ( -2.211 5.953 -3.443) 7.224 6.295 ( -6.487 -3.288 -12.630) 14.574 7.225 ( -2.603 -7.905 -3.269) 8.941 8.099 ( 10.159 5.673 9.242) 14.860 24.434 ( 1.737 -0.582 18.186) 18.278 27.192 ( -0.585 0.477 2.686) 2.790 28.781 ( -7.190 -4.148 -5.090) 9.738 33.050 ( 6.385 -0.770 -16.794) 17.983 95.882 ( 4.119 -3.838 16.485) 17.419 98.420 ( 8.927 8.984 -6.212) 14.107======================= Grid point 199 (67/343) =======================q-point: (-0.15 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( -10.813 13.513 2.969) 17.560 0.783 ( -12.541 13.093 11.733) 21.596 1.223 ( -15.911 18.310 22.822) 33.305 2.156 ( -6.826 -2.798 2.593) 7.819 2.482 ( 1.040 -3.181 2.799) 4.362 3.176 ( 3.305 -4.463 -3.062) 6.341 3.688 ( -11.397 -0.128 1.356) 11.478 4.278 ( 2.897 -3.342 12.912) 13.649 4.560 ( -1.520 2.460 -2.233) 3.654 6.165 ( -9.627 -0.668 -16.364) 18.997 7.227 ( -4.122 -11.592 1.558) 12.402 8.244 ( 10.551 9.397 7.710) 16.096 24.496 ( 3.904 -3.592 21.739) 22.377 27.181 ( -0.278 0.282 2.094) 2.131 28.651 ( -10.271 -3.933 -6.243) 12.646 33.151 ( 4.110 0.478 -17.852) 18.325 96.057 ( 9.166 -13.367 25.760) 30.435 98.527 ( 11.244 13.735 -10.912) 20.837======================= Grid point 200 (68/343) =======================q-point: (-0.08 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.430 ( 0.000 6.755 16.110) 17.469 0.516 ( 0.000 7.452 20.004) 21.347 0.896 ( 0.000 24.041 26.895) 36.074 2.105 ( -0.000 -2.328 3.673) 4.349 2.512 ( -0.000 -1.812 2.720) 3.268 3.236 ( -0.000 -3.553 -3.218) 4.794 3.583 ( -0.000 -0.656 1.705) 1.827 4.386 ( -0.000 -9.792 9.085) 13.358 4.537 ( -0.000 -0.368 -0.206) 0.422 5.996 ( 0.000 7.649 -11.788) 14.052 7.287 ( -0.000 -19.881 7.885) 21.387 8.281 ( 0.000 16.109 0.511) 16.117 24.617 ( -0.000 -11.146 21.949) 24.617 27.177 ( 0.000 0.160 1.886) 1.893 28.516 ( 0.000 0.439 -2.534) 2.572 33.183 ( 0.000 1.964 -18.850) 18.952 96.386 ( -0.000 -36.175 28.539) 46.077 98.555 ( 0.000 20.908 -19.904) 28.867======================= Grid point 203 (69/343) =======================q-point: ( 0.15 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 15.968 -0.000 4.770) 16.665 1.480 ( 14.924 -0.000 -0.439) 14.930 2.332 ( -2.106 0.000 -2.756) 3.469 2.518 ( 0.659 -0.000 5.501) 5.541 2.540 ( 22.351 -0.000 4.009) 22.708 2.935 ( -7.482 0.000 -1.819) 7.700 4.273 ( 1.157 -0.000 4.576) 4.720 4.490 ( 2.576 -0.000 -0.310) 2.594 4.882 ( 22.155 -0.000 -3.782) 22.475 6.373 ( 1.735 -0.000 0.914) 1.961 7.514 ( -8.516 0.000 -10.092) 13.205 7.653 ( 0.690 -0.000 0.573) 0.897 24.392 ( -0.691 0.000 15.731) 15.746 27.211 ( 0.976 -0.000 4.375) 4.483 28.995 ( 2.153 -0.000 -2.489) 3.292 32.804 ( -7.172 0.000 -15.313) 16.909 95.804 ( -1.614 0.000 10.582) 10.704 98.125 ( -1.999 0.000 -2.743) 3.394======================= Grid point 204 (70/343) =======================q-point: ( 0.23 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 14.193 -2.040 2.376) 14.534 1.725 ( 10.921 -0.992 0.575) 10.981 2.284 ( -2.852 0.122 -2.674) 3.911 2.517 ( 0.172 1.606 5.656) 5.882 2.732 ( -6.692 0.705 -0.899) 6.789 2.954 ( 14.396 -0.425 -0.251) 14.404 4.297 ( 1.351 -0.002 1.293) 1.870 4.545 ( 3.117 -1.064 -0.587) 3.346 5.257 ( 17.192 -0.364 -4.713) 17.830 6.407 ( 0.730 -2.448 2.467) 3.552 7.342 ( -7.203 4.879 -10.764) 13.840 7.675 ( 0.174 -2.408 -0.809) 2.546 24.382 ( -0.428 -0.026 15.011) 15.017 27.231 ( 1.019 -0.139 5.220) 5.321 29.027 ( 1.380 0.286 -1.054) 1.760 32.679 ( -5.928 0.303 -14.908) 16.046 95.784 ( -0.697 0.074 8.661) 8.690 98.101 ( -0.830 -0.642 -2.476) 2.689======================= Grid point 205 (71/343) =======================q-point: ( 0.31 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 10.011 -1.941 0.579) 10.214 1.893 ( 6.282 -0.553 1.183) 6.417 2.231 ( -2.763 -0.489 -1.989) 3.439 2.494 ( -1.825 3.607 5.384) 6.732 2.585 ( -5.973 -0.008 0.096) 5.974 3.182 ( 8.447 -0.140 -2.715) 8.874 4.320 ( 0.943 -0.015 -0.606) 1.121 4.616 ( 3.539 -0.690 -0.886) 3.713 5.504 ( 9.051 0.244 -5.978) 10.849 6.423 ( -2.461 -5.413 2.244) 6.356 7.195 ( -3.923 5.945 -9.784) 12.102 7.696 ( 0.756 -1.594 -1.275) 2.177 24.377 ( -0.182 -0.059 14.689) 14.690 27.249 ( 0.759 -0.115 5.767) 5.818 29.041 ( 0.234 0.221 -0.464) 0.564 32.590 ( -3.173 0.216 -14.660) 15.001 95.775 ( -0.279 0.042 7.659) 7.664 98.105 ( 0.831 -0.423 -2.385) 2.561======================= Grid point 206 (72/343) =======================q-point: ( 0.38 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 3.810 0.057 -0.723) 3.879 1.950 ( 0.567 1.878 0.077) 1.963 2.202 ( -1.493 -2.807 -0.149) 3.183 2.384 ( -4.828 3.335 3.668) 6.920 2.553 ( 0.455 -0.944 3.108) 3.280 3.255 ( -0.122 1.809 -4.049) 4.436 4.328 ( -0.086 0.199 -0.766) 0.796 4.674 ( 2.334 0.671 -1.060) 2.650 5.577 ( -0.303 2.768 -7.402) 7.908 6.389 ( -6.722 -9.358 -0.404) 11.529 7.122 ( 0.733 6.192 -6.736) 9.179 7.731 ( 2.192 -0.763 -0.477) 2.370 24.377 ( 0.134 -0.084 14.598) 14.599 27.259 ( 0.227 0.097 5.852) 5.857 29.030 ( -1.325 0.024 -0.510) 1.420 32.566 ( 0.556 -0.364 -14.659) 14.674 95.772 ( -0.052 -0.023 7.236) 7.236 98.138 ( 2.771 0.321 -2.558) 3.785======================= Grid point 207 (73/343) =======================q-point: (-0.54 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( -5.493 5.816 -2.718) 8.449 1.945 ( -1.396 3.646 1.556) 4.202 2.199 ( -1.386 -3.755 -0.840) 4.090 2.313 ( -2.233 -0.807 5.266) 5.776 2.591 ( 2.340 -2.310 3.288) 4.650 3.155 ( -7.802 4.757 -3.859) 9.919 4.314 ( -1.106 0.475 0.624) 1.356 4.677 ( -1.553 1.485 -0.528) 2.212 5.453 ( -8.716 7.221 -8.218) 13.988 6.328 ( -8.189 -13.324 -4.851) 16.374 7.123 ( 3.559 5.613 -3.623) 7.569 7.790 ( 3.802 -0.096 1.917) 4.259 24.383 ( 0.468 -0.064 14.662) 14.669 27.255 ( -0.378 0.397 5.433) 5.461 28.990 ( -3.043 -0.347 -0.977) 3.215 32.617 ( 4.246 -1.184 -14.947) 15.584 95.773 ( 0.151 -0.136 7.341) 7.344 98.202 ( 4.730 1.453 -3.052) 5.814======================= Grid point 208 (74/343) =======================q-point: (-0.46 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( -8.235 8.739 -3.589) 12.532 1.825 ( -6.178 8.515 3.583) 11.113 2.221 ( 0.226 -5.058 -1.830) 5.383 2.267 ( -4.808 -2.240 5.698) 7.784 2.662 ( 1.194 -4.587 4.037) 6.226 2.923 ( -10.545 7.427 -2.881) 13.215 4.285 ( -1.490 0.562 3.042) 3.434 4.580 ( -8.735 0.157 0.633) 8.760 5.182 ( -12.046 11.098 -7.838) 18.157 6.283 ( -7.577 -14.396 -9.880) 19.033 7.158 ( 3.787 4.415 -1.951) 6.135 7.874 ( 5.448 0.369 5.603) 7.823 24.395 ( 0.731 0.020 14.918) 14.936 27.240 ( -0.803 0.623 4.626) 4.737 28.924 ( -4.607 -1.001 -1.716) 5.017 32.733 ( 6.818 -1.820 -15.488) 17.020 95.780 ( 0.458 -0.379 8.080) 8.102 98.291 ( 6.525 2.877 -3.874) 8.115======================= Grid point 209 (75/343) =======================q-point: (-0.38 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( -10.407 11.637 -4.219) 16.172 1.607 ( -9.190 11.820 4.479) 15.628 2.139 ( -10.159 1.228 8.020) 13.001 2.271 ( 0.606 -5.425 -1.572) 5.680 2.533 ( -13.301 2.961 3.624) 14.100 2.857 ( 4.573 -2.408 -0.789) 5.228 4.253 ( -1.806 0.421 5.714) 6.008 4.339 ( -17.027 -1.046 1.256) 17.105 4.901 ( -8.600 10.936 -5.973) 15.141 6.247 ( -7.064 -12.653 -14.400) 20.430 7.189 ( 2.274 3.193 -1.436) 4.175 7.990 ( 7.445 0.564 9.689) 12.233 24.409 ( 0.909 0.082 15.545) 15.571 27.219 ( -0.902 0.668 3.652) 3.821 28.836 ( -5.903 -1.888 -2.637) 6.736 32.884 ( 7.614 -1.978 -16.180) 17.991 95.798 ( 1.009 -0.965 9.741) 9.841 98.401 ( 8.141 4.475 -5.058) 10.577======================= Grid point 210 (76/343) =======================q-point: (-0.31 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( -11.950 14.708 -4.113) 19.392 1.315 ( -12.752 12.713 5.497) 18.827 1.863 ( -12.786 13.032 14.118) 23.079 2.251 ( -8.985 -2.281 -0.016) 9.270 2.370 ( -1.283 -5.095 3.044) 6.072 2.986 ( 5.658 -4.560 -1.300) 7.382 3.983 ( -18.963 -0.115 0.746) 18.978 4.239 ( -0.559 -0.003 8.925) 8.943 4.709 ( -5.874 5.940 -3.567) 9.083 6.196 ( -7.312 -9.788 -18.180) 21.904 7.191 ( 0.161 2.384 -1.042) 2.607 8.142 ( 9.234 0.623 12.911) 15.886 24.428 ( 1.141 -0.194 16.864) 16.903 27.199 ( -0.705 0.549 2.760) 2.901 28.732 ( -7.076 -2.550 -3.547) 8.316 33.032 ( 6.622 -1.675 -16.950) 18.274 95.836 ( 1.960 -2.517 12.936) 13.323 98.529 ( 9.673 5.971 -6.938) 13.317======================= Grid point 211 (77/343) =======================q-point: (-0.23 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.791 ( -8.792 17.319 -0.345) 19.426 0.961 ( -14.960 11.994 9.039) 21.198 1.536 ( -7.230 23.486 18.523) 30.773 2.102 ( -8.053 -4.657 2.793) 9.713 2.419 ( 0.826 -5.564 2.609) 6.201 3.117 ( 4.790 -3.780 -3.151) 6.868 3.684 ( -12.241 -0.342 1.057) 12.291 4.245 ( 0.937 -1.348 11.675) 11.789 4.585 ( -4.860 1.132 -1.655) 5.258 6.116 ( -7.203 -5.672 -21.030) 22.941 7.165 ( -1.205 1.586 0.302) 2.014 8.309 ( 8.536 0.608 13.799) 16.237 24.458 ( 1.502 -1.645 19.213) 19.342 27.186 ( -0.364 0.383 2.148) 2.212 28.611 ( -7.341 -1.632 -3.690) 8.377 33.145 ( 4.158 -1.200 -17.890) 18.406 95.914 ( 2.984 -6.766 18.417) 19.847 98.670 ( 9.867 6.435 -10.747) 15.946======================= Grid point 212 (78/343) =======================q-point: (-0.15 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( 0.000 17.441 5.092) 18.170 0.656 ( 0.000 11.431 15.571) 19.316 1.277 ( 0.000 27.485 20.915) 34.538 2.055 ( -0.000 -4.569 3.853) 5.977 2.465 ( -0.000 -4.625 2.916) 5.467 3.191 ( -0.000 -2.632 -4.697) 5.384 3.570 ( -0.000 -1.166 1.729) 2.086 4.286 ( -0.000 -4.306 13.165) 13.852 4.529 ( -0.000 -0.650 -0.288) 0.711 6.050 ( -0.000 -0.217 -20.641) 20.642 7.145 ( -0.000 -1.570 2.705) 3.128 8.398 ( 0.000 2.002 10.941) 11.123 24.502 ( -0.000 -4.855 21.686) 22.223 27.180 ( 0.000 0.285 1.924) 1.945 28.525 ( 0.000 0.776 -2.542) 2.657 33.193 ( -0.000 -0.578 -18.827) 18.836 96.032 ( -0.000 -14.821 24.567) 28.691 98.741 ( 0.000 6.814 -16.327) 17.691======================= Grid point 217 (79/343) =======================q-point: ( 0.23 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 10.680 -0.000 0.918) 10.719 1.889 ( 6.942 -0.000 1.320) 7.067 2.227 ( -3.227 0.000 -2.589) 4.137 2.524 ( 0.168 -0.000 6.115) 6.117 2.581 ( -8.510 0.000 -0.357) 8.517 3.182 ( 9.028 -0.000 -2.993) 9.511 4.320 ( 0.987 -0.000 -0.549) 1.129 4.610 ( 4.079 -0.000 -0.792) 4.155 5.507 ( 9.618 -0.000 -5.964) 11.317 6.382 ( -2.964 0.000 2.048) 3.603 7.241 ( -4.682 0.000 -9.410) 10.510 7.683 ( 1.354 -0.000 -1.435) 1.973 24.376 ( -0.188 0.000 14.697) 14.698 27.248 ( 0.829 -0.000 5.760) 5.819 29.042 ( 0.144 -0.000 -0.464) 0.486 32.592 ( -3.352 0.000 -14.659) 15.038 95.775 ( -0.306 0.000 7.692) 7.698 98.101 ( 1.109 -0.000 -2.366) 2.613======================= Grid point 218 (80/343) =======================q-point: ( 0.31 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 5.752 -0.166 -0.247) 5.759 1.973 ( 2.127 0.976 1.076) 2.576 2.170 ( -3.056 -1.274 -2.009) 3.872 2.428 ( -6.404 2.168 1.716) 6.975 2.536 ( 0.353 -1.101 5.906) 6.018 3.274 ( 1.130 0.786 -4.895) 5.085 4.330 ( 0.067 0.087 -0.713) 0.721 4.681 ( 2.988 0.236 -0.939) 3.141 5.610 ( 2.078 1.421 -8.030) 8.416 6.287 ( -8.713 -3.994 -0.502) 9.598 7.187 ( -0.065 2.462 -5.917) 6.409 7.722 ( 2.623 -0.432 -0.555) 2.716 24.376 ( 0.132 -0.039 14.591) 14.592 27.260 ( 0.362 0.032 5.860) 5.871 29.030 ( -1.452 0.025 -0.523) 1.544 32.562 ( 0.192 -0.134 -14.658) 14.659 95.771 ( -0.091 -0.006 7.185) 7.186 98.141 ( 3.223 0.103 -2.567) 4.122======================= Grid point 219 (81/343) =======================q-point: (-0.62 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( -3.076 4.938 -2.154) 6.204 1.981 ( 0.975 1.314 0.776) 1.811 2.139 ( -2.600 -4.077 -1.562) 5.081 2.321 ( -3.718 1.409 4.448) 5.966 2.558 ( 0.860 -2.105 5.926) 6.347 3.213 ( -6.130 3.012 -5.321) 8.658 4.320 ( -1.000 0.317 0.608) 1.212 4.693 ( -1.964 0.710 -0.339) 2.116 5.562 ( -3.987 7.248 -10.306) 13.216 6.142 ( -11.655 -11.265 -4.266) 16.762 7.195 ( 3.005 3.840 -2.421) 5.444 7.786 ( 3.961 -0.359 2.010) 4.456 24.382 ( 0.500 -0.055 14.599) 14.608 27.260 ( -0.245 0.216 5.474) 5.484 28.987 ( -3.257 -0.133 -0.999) 3.409 32.603 ( 3.858 -0.682 -14.949) 15.454 95.772 ( 0.079 -0.067 7.107) 7.107 98.218 ( 5.303 0.751 -3.128) 6.203======================= Grid point 220 (82/343) =======================q-point: (-0.54 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( -6.253 8.108 -3.359) 10.776 1.930 ( -3.997 5.658 2.301) 7.299 2.138 ( -1.277 -6.127 -2.576) 6.768 2.252 ( -3.883 0.038 6.006) 7.153 2.599 ( 0.828 -4.005 6.068) 7.317 3.019 ( -10.464 5.592 -4.197) 12.584 4.292 ( -1.511 0.465 2.838) 3.248 4.580 ( -10.202 -0.123 0.826) 10.236 5.359 ( -9.294 13.284 -9.552) 18.817 6.052 ( -8.915 -16.908 -10.659) 21.885 7.230 ( 3.802 4.762 -0.220) 6.098 7.873 ( 5.162 -0.398 5.969) 7.902 24.395 ( 0.802 -0.001 14.714) 14.736 27.248 ( -0.751 0.428 4.698) 4.777 28.913 ( -4.909 -0.506 -1.660) 5.206 32.710 ( 6.595 -1.342 -15.511) 16.909 95.776 ( 0.293 -0.219 7.528) 7.537 98.325 ( 7.106 1.752 -4.056) 8.367======================= Grid point 221 (83/343) =======================q-point: (-0.46 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( -8.141 11.134 -3.596) 14.254 1.759 ( -8.673 8.888 3.038) 12.784 2.146 ( -5.070 -1.156 4.787) 7.068 2.186 ( -1.213 -5.144 -0.099) 5.286 2.567 ( -9.087 1.417 5.443) 10.687 2.846 ( -1.215 0.696 -1.207) 1.848 4.260 ( -1.956 0.497 5.227) 5.603 4.324 ( -16.785 -0.964 1.419) 16.872 5.066 ( -11.320 11.853 -6.490) 17.628 6.038 ( -5.854 -15.435 -17.397) 23.983 7.259 ( 3.126 5.541 0.784) 6.410 7.986 ( 6.501 -0.957 10.558) 12.436 24.411 ( 0.946 0.101 15.040) 15.070 27.228 ( -0.960 0.536 3.738) 3.896 28.816 ( -6.070 -1.001 -2.335) 6.581 32.856 ( 7.604 -1.794 -16.240) 18.022 95.787 ( 0.604 -0.581 8.584) 8.625 98.453 ( 8.432 2.785 -5.340) 10.362======================= Grid point 222 (84/343) =======================q-point: (-0.38 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( -9.444 14.536 -3.058) 17.602 1.481 ( -13.556 10.361 4.359) 17.610 2.017 ( -5.558 5.915 8.815) 11.983 2.211 ( -4.305 -4.353 -0.993) 6.202 2.328 ( -8.609 2.252 5.936) 10.697 2.923 ( 5.212 -4.418 -0.002) 6.832 3.979 ( -18.662 -0.400 0.927) 18.689 4.240 ( -0.835 0.202 7.986) 8.032 4.795 ( -10.628 5.845 -3.439) 12.608 6.038 ( -4.768 -11.236 -22.286) 25.409 7.261 ( 1.712 6.288 1.037) 6.599 8.128 ( 7.564 -2.134 14.573) 16.557 24.428 ( 0.936 0.082 15.778) 15.806 27.207 ( -0.824 0.502 2.840) 3.000 28.706 ( -6.493 -1.180 -2.853) 7.190 33.005 ( 6.661 -1.946 -17.007) 18.368 95.808 ( 0.994 -1.424 10.491) 10.634 98.594 ( 9.005 3.290 -7.079) 11.918======================= Grid point 223 (85/343) =======================q-point: (-0.31 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( -8.931 16.196 1.082) 18.526 1.141 ( -12.268 13.204 5.988) 18.992 1.862 ( -1.836 18.915 12.730) 22.873 2.033 ( -10.068 -2.809 3.877) 11.148 2.326 ( 0.367 -6.949 2.433) 7.371 3.061 ( 5.676 -4.216 -1.852) 7.309 3.677 ( -13.093 -0.629 1.027) 13.148 4.234 ( 0.104 -0.393 10.324) 10.332 4.597 ( -7.774 0.710 -1.307) 7.915 6.021 ( -3.935 -6.808 -25.076) 26.280 7.233 ( 0.404 6.737 1.052) 6.830 8.284 ( 6.339 -3.556 16.764) 18.272 24.445 ( 0.770 -0.412 17.096) 17.118 27.192 ( -0.451 0.401 2.214) 2.295 28.598 ( -5.333 -0.306 -2.904) 6.080 33.120 ( 4.015 -1.968 -17.734) 18.289 95.845 ( 1.159 -3.232 13.435) 13.867 98.731 ( 7.476 2.559 -9.584) 12.422======================= Grid point 224 (86/343) =======================q-point: (-0.23 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( 0.000 12.947 12.069) 17.700 0.891 ( 0.000 19.045 1.448) 19.100 1.672 ( 0.000 26.595 15.794) 30.931 1.973 ( -0.000 -6.640 4.144) 7.827 2.382 ( -0.000 -6.770 2.677) 7.280 3.153 ( -0.000 -2.967 -4.136) 5.090 3.551 ( -0.000 -1.414 1.767) 2.263 4.246 ( -0.000 -1.577 12.081) 12.183 4.519 ( -0.000 -0.781 -0.404) 0.880 6.013 ( -0.000 -3.953 -25.061) 25.371 7.187 ( 0.000 6.023 1.079) 6.119 8.380 ( -0.000 -3.676 16.366) 16.774 24.460 ( -0.000 -1.490 18.668) 18.727 27.185 ( 0.000 0.345 1.978) 2.008 28.537 ( 0.000 0.934 -2.552) 2.717 33.174 ( -0.000 -1.868 -18.250) 18.345 95.893 ( -0.000 -5.988 16.840) 17.873 98.798 ( 0.000 1.879 -12.222) 12.366======================= Grid point 231 (87/343) =======================q-point: (-0.69 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( 2.011 -0.000 -0.849) 2.183 1.981 ( -1.875 0.000 -0.116) 1.878 2.102 ( -3.565 0.000 -2.218) 4.199 2.335 ( -4.274 0.000 3.503) 5.526 2.540 ( 0.340 -0.000 7.439) 7.447 3.236 ( -5.560 0.000 -5.864) 8.081 4.322 ( -0.961 0.000 0.607) 1.137 4.698 ( -2.145 0.000 -0.266) 2.161 5.627 ( -0.212 0.000 -12.136) 12.138 6.048 ( -14.931 0.000 -2.821) 15.195 7.224 ( 2.803 -0.000 -2.110) 3.509 7.783 ( 4.020 -0.000 2.015) 4.497 24.382 ( 0.513 -0.000 14.578) 14.587 27.261 ( -0.196 0.000 5.488) 5.492 28.986 ( -3.326 0.000 -1.010) 3.476 32.598 ( 3.716 -0.000 -14.950) 15.404 95.771 ( 0.056 -0.000 7.025) 7.025 98.223 ( 5.496 -0.000 -3.153) 6.336======================= Grid point 233 (88/343) =======================q-point: (-0.62 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( -4.634 5.891 -2.258) 7.828 1.982 ( -2.436 1.253 0.922) 2.890 2.053 ( -2.699 -4.691 -3.279) 6.328 2.262 ( -3.843 0.765 5.476) 6.733 2.553 ( 0.560 -1.920 7.908) 8.157 3.076 ( -10.338 2.080 -4.891) 11.624 4.297 ( -1.533 0.182 2.723) 3.130 4.578 ( -10.880 -0.072 0.930) 10.920 5.562 ( -5.417 14.361 -12.430) 19.751 5.810 ( -11.988 -15.800 -8.686) 21.652 7.280 ( 3.784 1.914 0.412) 4.260 7.867 ( 4.916 -0.279 6.032) 7.787 24.395 ( 0.851 -0.004 14.604) 14.628 27.252 ( -0.722 0.152 4.738) 4.795 28.908 ( -5.033 -0.146 -1.648) 5.298 32.696 ( 6.456 -0.494 -15.522) 16.818 95.774 ( 0.217 -0.071 7.240) 7.244 98.342 ( 7.349 0.581 -4.140) 8.455======================= Grid point 234 (89/343) =======================q-point: (-0.54 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( -6.197 9.562 -2.578) 11.683 1.858 ( -8.183 4.609 2.126) 9.630 2.068 ( -1.006 -6.969 -2.578) 7.499 2.166 ( -6.255 0.056 5.059) 8.045 2.574 ( -0.944 -0.120 7.412) 7.473 2.866 ( -8.121 1.604 -1.634) 8.438 4.266 ( -1.762 0.362 4.960) 5.276 4.312 ( -16.989 -0.600 1.516) 17.067 5.236 ( -16.045 10.997 -5.728) 20.278 5.823 ( -1.566 -13.343 -19.752) 23.888 7.329 ( 3.528 3.767 1.841) 5.480 7.969 ( 5.580 -1.067 10.743) 12.153 24.412 ( 1.010 0.066 14.714) 14.749 27.234 ( -0.998 0.297 3.798) 3.938 28.806 ( -6.075 -0.392 -2.219) 6.479 32.835 ( 7.562 -1.060 -16.273) 17.975 95.781 ( 0.410 -0.265 7.898) 7.913 98.483 ( 8.404 1.295 -5.468) 10.109======================= Grid point 235 (90/343) =======================q-point: (-0.46 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( -7.658 12.914 -1.576) 15.096 1.617 ( -12.230 8.416 3.813) 15.328 2.024 ( -9.131 -3.127 3.948) 10.428 2.115 ( -0.789 -7.995 -1.527) 8.178 2.447 ( -6.033 11.453 7.753) 15.089 2.852 ( 3.373 -5.517 1.562) 6.653 3.973 ( -18.544 -0.445 1.310) 18.595 4.243 ( -0.955 0.202 7.228) 7.293 4.874 ( -15.800 4.868 -2.934) 16.791 5.890 ( -0.341 -8.762 -25.055) 26.545 7.352 ( 2.461 5.678 2.440) 6.653 8.090 ( 5.912 -2.778 15.061) 16.416 24.429 ( 0.920 0.151 15.038) 15.067 27.213 ( -0.915 0.350 2.906) 3.067 28.695 ( -5.993 -0.416 -2.588) 6.541 32.979 ( 6.654 -1.508 -17.038) 18.354 95.793 ( 0.583 -0.705 9.044) 9.090 98.628 ( 8.201 1.551 -7.049) 10.925======================= Grid point 236 (91/343) =======================q-point: (-0.38 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( -11.345 13.128 4.514) 17.928 1.345 ( -6.696 14.639 2.351) 16.269 1.889 ( -8.271 -7.323 4.019) 11.756 2.142 ( -0.980 0.905 1.918) 2.337 2.282 ( -1.425 9.767 8.695) 13.154 2.989 ( 5.758 -5.902 0.242) 8.250 3.667 ( -13.732 -0.772 1.297) 13.815 4.231 ( -0.255 -0.003 9.126) 9.130 4.606 ( -10.271 0.570 -1.141) 10.350 5.931 ( -0.753 -5.430 -27.911) 28.444 7.337 ( 1.079 7.227 2.449) 7.706 8.220 ( 4.600 -4.898 17.819) 19.043 24.443 ( 0.591 0.083 15.694) 15.705 27.197 ( -0.526 0.331 2.275) 2.358 28.598 ( -4.228 0.180 -2.665) 5.001 33.092 ( 3.930 -1.850 -17.658) 18.185 95.812 ( 0.559 -1.534 10.649) 10.774 98.754 ( 5.864 0.877 -8.784) 10.598======================= Grid point 237 (92/343) =======================q-point: (-0.31 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( 0.000 13.264 9.658) 16.408 1.160 ( 0.000 17.976 1.068) 18.008 1.864 ( -0.000 -8.467 4.536) 9.606 2.029 ( 0.000 21.423 10.246) 23.747 2.279 ( -0.000 -6.173 3.302) 7.001 3.098 ( -0.000 -4.769 -1.964) 5.158 3.531 ( -0.000 -1.340 1.811) 2.252 4.232 ( -0.000 -0.473 10.530) 10.540 4.508 ( -0.000 -0.733 -0.528) 0.903 5.952 ( -0.000 -4.111 -28.182) 28.480 7.292 ( 0.000 7.820 1.995) 8.071 8.308 ( -0.000 -5.806 18.397) 19.291 24.449 ( -0.000 -0.225 16.559) 16.560 27.190 ( 0.000 0.327 2.035) 2.061 28.550 ( 0.000 0.878 -2.563) 2.709 33.144 ( -0.000 -2.080 -17.970) 18.090 95.834 ( -0.000 -2.650 12.400) 12.680 98.811 ( 0.000 0.260 -10.143) 10.146======================= Grid point 246 (93/343) =======================q-point: (-0.62 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.828 ( -5.263 0.000 -1.109) 5.378 1.887 ( -7.842 0.000 0.984) 7.904 2.000 ( -1.216 0.000 -3.127) 3.355 2.167 ( -7.496 0.000 4.427) 8.706 2.572 ( 2.637 -0.000 8.208) 8.621 2.880 ( -10.639 0.000 -1.732) 10.779 4.269 ( -1.465 0.000 4.905) 5.119 4.308 ( -17.306 0.000 1.516) 17.372 5.336 ( -22.017 0.000 -3.257) 22.257 5.705 ( 4.336 -0.000 -22.682) 23.093 7.358 ( 3.686 -0.000 2.169) 4.277 7.961 ( 5.185 -0.000 10.740) 11.926 24.413 ( 1.039 -0.000 14.602) 14.639 27.236 ( -1.011 0.000 3.819) 3.951 28.803 ( -6.062 0.000 -2.191) 6.446 32.827 ( 7.542 -0.000 -16.283) 17.945 95.779 ( 0.353 -0.000 7.673) 7.681 98.492 ( 8.362 -0.000 -5.503) 10.011======================= Grid point 248 (94/343) =======================q-point: (-0.54 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( -8.280 7.426 1.132) 11.180 1.714 ( -7.904 4.284 2.521) 9.337 1.972 ( -13.269 -2.728 2.525) 13.780 2.004 ( -1.302 -6.012 -2.223) 6.540 2.606 ( 1.160 9.417 6.754) 11.647 2.761 ( -1.014 -6.744 2.818) 7.379 3.968 ( -18.544 -0.191 1.610) 18.615 4.246 ( -0.998 0.081 6.790) 6.864 4.927 ( -19.801 2.035 -2.267) 20.034 5.799 ( 3.465 -3.411 -26.738) 27.177 7.412 ( 2.908 2.306 3.157) 4.872 8.058 ( 4.822 -1.304 15.112) 15.916 24.431 ( 0.947 0.068 14.667) 14.697 27.217 ( -0.964 0.125 2.943) 3.100 28.692 ( -5.734 -0.089 -2.504) 6.258 32.964 ( 6.647 -0.563 -17.056) 18.315 95.787 ( 0.429 -0.211 8.380) 8.394 98.642 ( 7.736 0.446 -7.012) 10.451======================= Grid point 249 (95/343) =======================q-point: (-0.46 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( -10.825 11.019 5.485) 16.391 1.545 ( -3.966 12.200 2.049) 12.991 1.768 ( -11.022 -8.802 3.937) 14.645 2.045 ( -0.380 -8.508 -1.100) 8.587 2.509 ( 0.042 15.792 7.501) 17.483 2.886 ( 5.439 -8.390 2.709) 10.360 3.657 ( -14.092 -0.549 1.635) 14.197 4.232 ( -0.392 0.075 8.284) 8.294 4.613 ( -12.090 0.357 -1.080) 12.144 5.869 ( 1.508 -2.957 -29.475) 29.661 7.428 ( 1.505 4.823 3.505) 6.149 8.155 ( 3.369 -3.681 18.085) 18.761 24.445 ( 0.570 0.142 14.902) 14.914 27.201 ( -0.576 0.187 2.318) 2.395 28.601 ( -3.698 0.196 -2.593) 4.521 33.070 ( 3.900 -1.094 -17.643) 18.102 95.797 ( 0.345 -0.622 9.267) 9.294 98.761 ( 5.001 0.229 -8.376) 9.758======================= Grid point 250 (96/343) =======================q-point: (-0.38 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.215 ( 0.000 12.916 8.017) 15.202 1.404 ( 0.000 15.439 1.888) 15.555 1.730 ( -0.000 -9.973 5.023) 11.166 2.104 ( -0.000 -7.957 -0.101) 7.957 2.387 ( 0.000 17.965 9.023) 20.103 3.011 ( -0.000 -7.314 0.817) 7.359 3.514 ( -0.000 -0.955 1.851) 2.083 4.229 ( -0.000 -0.058 9.279) 9.280 4.498 ( -0.000 -0.518 -0.631) 0.816 5.901 ( -0.000 -2.840 -30.085) 30.219 7.399 ( 0.000 6.658 3.271) 7.418 8.223 ( -0.000 -5.504 19.005) 19.786 24.449 ( 0.000 0.136 15.313) 15.313 27.194 ( 0.000 0.233 2.082) 2.095 28.562 ( 0.000 0.621 -2.571) 2.645 33.117 ( -0.000 -1.559 -17.881) 17.949 95.807 ( -0.000 -1.163 10.136) 10.203 98.811 ( -0.000 -0.169 -9.175) 9.177======================= Grid point 261 (97/343) =======================q-point: (-0.54 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( -7.927 0.000 5.880) 9.870 1.649 ( -4.021 0.000 3.259) 5.176 1.675 ( -13.499 0.000 3.581) 13.966 1.965 ( -0.558 0.000 -2.374) 2.439 2.674 ( -1.040 0.000 4.219) 4.345 2.776 ( 7.044 -0.000 5.675) 9.045 3.653 ( -14.202 0.000 1.783) 14.314 4.233 ( -0.426 0.000 7.979) 7.991 4.616 ( -12.773 0.000 -1.066) 12.818 5.847 ( 2.330 -0.000 -29.960) 30.051 7.465 ( 1.702 -0.000 3.857) 4.216 8.126 ( 2.883 -0.000 18.142) 18.370 24.446 ( 0.575 -0.000 14.645) 14.657 27.202 ( -0.593 0.000 2.333) 2.407 28.603 ( -3.542 0.000 -2.578) 4.381 33.062 ( 3.893 -0.000 -17.644) 18.069 95.793 ( 0.290 -0.000 8.850) 8.854 98.763 ( 4.732 -0.000 -8.255) 9.515======================= Grid point 263 (98/343) =======================q-point: (-0.46 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( 0.000 11.511 7.011) 13.478 1.579 ( -0.000 -10.523 5.504) 11.876 1.588 ( 0.000 8.495 3.555) 9.209 1.985 ( -0.000 -6.405 -1.700) 6.626 2.617 ( 0.000 11.969 5.561) 13.198 2.894 ( -0.000 -7.837 3.941) 8.772 3.504 ( -0.000 -0.346 1.875) 1.907 4.229 ( 0.000 0.017 8.588) 8.588 4.493 ( -0.000 -0.187 -0.689) 0.714 5.873 ( -0.000 -1.001 -30.931) 30.947 7.471 ( 0.000 2.773 3.973) 4.845 8.163 ( -0.000 -2.414 19.188) 19.339 24.451 ( 0.000 0.086 14.730) 14.730 27.196 ( 0.000 0.084 2.109) 2.110 28.568 ( 0.000 0.224 -2.576) 2.586 33.101 ( -0.000 -0.574 -17.864) 17.873 95.797 ( -0.000 -0.332 9.182) 9.188 98.809 ( -0.000 -0.104 -8.794) 8.795======================= Grid point 350 (99/343) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 0.000 0.000 23.419) 23.419 0.891 ( 0.000 0.000 20.746) 20.746 1.295 ( 0.000 0.000 29.533) 29.533 2.209 ( 0.000 0.000 4.575) 4.575 2.600 ( 0.000 0.000 5.007) 5.007 3.193 ( 0.000 0.000 -5.097) 5.097 3.644 ( 0.000 0.000 4.037) 4.037 4.405 ( 0.000 0.000 -4.418) 4.418 4.532 ( 0.000 0.000 -0.633) 0.633 5.946 ( 0.000 0.000 1.520) 1.520 7.748 ( 0.000 0.000 8.050) 8.050 7.940 ( 0.000 0.000 -3.630) 3.630 25.137 ( 0.000 0.000 26.133) 26.133 27.232 ( 0.000 0.000 3.770) 3.770 28.438 ( 0.000 0.000 -4.909) 4.909 32.673 ( 0.000 0.000 -31.666) 31.666 96.898 ( 0.000 0.000 3.334) 3.334 98.153 ( 0.000 0.000 -6.858) 6.858======================= Grid point 351 (100/343) =======================q-point: ( 0.08 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.814 ( 0.305 6.159 20.833) 21.727 0.952 ( 3.883 -8.585 20.343) 22.419 1.533 ( 17.483 -6.419 24.401) 30.696 2.245 ( 3.650 0.851 3.178) 4.914 2.589 ( -0.570 1.153 5.055) 5.216 3.161 ( -2.337 2.617 -4.874) 6.006 3.741 ( 10.368 0.204 3.640) 10.991 4.408 ( 0.232 -0.133 -3.570) 3.580 4.519 ( -1.279 -0.469 2.638) 2.969 6.014 ( 7.102 2.420 -3.127) 8.129 7.600 ( -1.667 23.888 5.338) 24.534 8.004 ( -6.988 -24.832 -1.131) 25.822 25.061 ( -5.760 1.927 29.145) 29.771 27.240 ( 0.821 -0.131 4.140) 4.223 28.531 ( 8.314 0.397 -7.577) 11.255 32.649 ( -2.643 -0.058 -31.611) 31.721 96.671 ( -15.881 8.430 12.857) 22.103 98.167 ( -1.800 -6.161 -7.683) 10.011======================= Grid point 352 (101/343) =======================q-point: ( 0.15 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( 10.600 1.302 11.982) 16.051 1.140 ( 7.838 -12.096 15.158) 20.917 1.932 ( 19.902 -5.251 18.258) 27.514 2.302 ( 2.473 0.882 0.213) 2.634 2.573 ( 0.655 2.580 5.440) 6.056 3.074 ( -4.282 4.016 -4.103) 7.162 4.012 ( 18.303 0.139 1.929) 18.405 4.409 ( -0.171 0.745 0.425) 0.875 4.506 ( -1.165 -3.212 2.662) 4.331 6.137 ( 8.187 3.902 -7.506) 11.772 7.405 ( -3.178 17.088 1.274) 17.427 8.004 ( -9.500 -18.579 0.583) 20.875 24.949 ( -4.403 1.385 30.606) 30.952 27.264 ( 1.598 -0.340 5.185) 5.436 28.683 ( 8.185 1.392 -8.015) 11.540 32.576 ( -4.960 0.484 -31.194) 31.589 96.346 ( -11.840 5.997 18.523) 22.787 98.161 ( -3.338 -5.754 -7.544) 10.058======================= Grid point 353 (102/343) =======================q-point: ( 0.23 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 13.829 -3.072 4.998) 15.022 1.397 ( 10.073 -11.544 9.666) 18.115 2.301 ( 6.965 0.060 5.265) 8.731 2.324 ( 9.398 -0.748 4.924) 10.636 2.593 ( 3.841 1.488 5.395) 6.788 2.950 ( -5.622 4.115 -2.597) 7.435 4.358 ( 9.622 1.497 0.445) 9.748 4.407 ( 8.043 0.279 3.992) 8.983 4.539 ( 2.548 -6.034 -2.797) 7.122 6.257 ( 8.053 4.505 -8.363) 12.453 7.231 ( -5.260 10.014 -3.048) 11.715 7.937 ( -9.184 -11.911 1.106) 15.082 24.878 ( -2.551 0.698 29.784) 29.901 27.303 ( 2.172 -0.579 6.707) 7.074 28.809 ( 6.607 1.578 -5.850) 8.965 32.463 ( -6.351 1.158 -30.425) 31.102 96.150 ( -6.208 3.190 17.309) 18.663 98.132 ( -3.583 -4.287 -6.816) 8.813======================= Grid point 354 (103/343) =======================q-point: ( 0.31 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.418 ( 12.835 -4.490 2.025) 13.747 1.658 ( 9.528 -8.942 5.704) 14.258 2.276 ( -1.707 1.125 -1.920) 2.805 2.504 ( 5.240 4.819 6.578) 9.692 2.740 ( 5.962 -1.736 0.964) 6.284 2.831 ( -0.152 1.317 2.165) 2.539 4.343 ( -1.808 0.486 2.546) 3.161 4.540 ( 1.774 -2.943 -1.047) 3.593 4.824 ( 18.765 -2.655 -6.234) 19.951 6.374 ( 8.301 4.989 -8.319) 12.768 7.062 ( -7.335 4.334 -5.505) 10.143 7.847 ( -7.621 -6.980 0.311) 10.339 24.839 ( -1.466 0.325 28.840) 28.879 27.350 ( 2.298 -0.711 8.392) 8.730 28.907 ( 5.057 1.258 -3.628) 6.349 32.333 ( -6.342 1.502 -29.521) 30.232 96.050 ( -3.036 1.689 15.257) 15.647 98.096 ( -3.034 -2.972 -6.021) 7.368======================= Grid point 355 (104/343) =======================q-point: ( 0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 10.117 -3.805 0.625) 10.827 1.858 ( 5.795 -5.109 3.021) 8.295 2.248 ( -0.147 0.358 -0.840) 0.925 2.529 ( 1.593 4.147 6.108) 7.553 2.648 ( -6.309 1.963 -0.830) 6.659 3.018 ( 9.584 -2.437 0.697) 9.913 4.311 ( -1.405 -0.024 -0.156) 1.414 4.583 ( 0.840 -2.637 -2.248) 3.565 5.151 ( 13.953 -1.654 -8.769) 16.563 6.493 ( 8.510 5.552 -9.245) 13.738 6.899 ( -8.421 -0.318 -5.070) 9.834 7.763 ( -5.343 -3.511 -1.176) 6.500 24.816 ( -0.785 0.138 28.281) 28.292 27.394 ( 1.783 -0.602 9.848) 10.026 28.978 ( 3.256 0.775 -2.113) 3.958 32.218 ( -4.716 1.273 -28.717) 29.130 96.002 ( -1.383 0.860 13.848) 13.944 98.065 ( -1.998 -1.773 -5.347) 5.978======================= Grid point 356 (105/343) =======================q-point: ( 0.46 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 5.932 -2.132 -0.110) 6.305 1.925 ( -0.670 -0.526 0.507) 0.991 2.279 ( 2.454 -1.242 1.292) 3.039 2.480 ( -3.339 2.859 4.975) 6.639 2.573 ( -0.700 0.238 1.526) 1.696 3.153 ( 3.461 -0.813 -2.356) 4.265 4.293 ( -0.486 -0.084 -2.136) 2.192 4.607 ( 0.278 -1.010 -2.683) 2.880 5.342 ( 5.159 -0.637 -10.403) 11.629 6.605 ( 7.166 4.850 -14.854) 17.190 6.762 ( -7.228 -3.144 0.874) 7.931 7.709 ( -2.013 -1.038 -2.351) 3.265 24.806 ( -0.250 0.037 28.053) 28.055 27.421 ( 0.675 -0.238 10.698) 10.722 29.015 ( 1.132 0.259 -1.386) 1.808 32.150 ( -1.748 0.499 -28.243) 28.302 95.982 ( -0.400 0.269 13.169) 13.178 98.049 ( -0.695 -0.593 -4.957) 5.041======================= Grid point 364 (106/343) =======================q-point: ( 0.08 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( 10.727 -0.000 12.182) 16.232 0.999 ( 6.909 -0.000 18.647) 19.886 1.894 ( 21.761 -0.000 17.997) 28.239 2.309 ( 2.160 -0.000 0.300) 2.181 2.592 ( 0.600 -0.000 5.803) 5.834 3.106 ( -4.519 0.000 -4.739) 6.548 4.013 ( 18.300 -0.000 2.040) 18.413 4.418 ( 0.807 -0.000 -3.441) 3.535 4.478 ( -2.617 0.000 6.917) 7.395 6.161 ( 7.311 -0.000 -5.295) 9.027 7.681 ( -10.813 0.000 -6.054) 12.393 7.722 ( -1.300 0.000 5.461) 5.614 24.960 ( -4.977 0.000 30.664) 31.065 27.262 ( 1.563 -0.000 5.163) 5.394 28.694 ( 8.228 -0.000 -8.685) 11.963 32.579 ( -4.788 0.000 -30.974) 31.342 96.394 ( -14.259 0.000 18.397) 23.276 98.115 ( -1.837 0.000 -6.354) 6.614======================= Grid point 365 (107/343) =======================q-point: ( 0.15 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 12.598 3.147 9.985) 16.381 1.246 ( 12.739 -8.595 8.395) 17.511 2.295 ( 19.517 -0.455 11.644) 22.732 2.318 ( -0.055 -0.085 -1.146) 1.150 2.611 ( 1.708 0.777 6.094) 6.377 2.998 ( -6.142 1.961 -4.039) 7.608 4.383 ( 16.307 1.514 -0.558) 16.387 4.415 ( 2.070 1.124 4.709) 5.265 4.463 ( 1.689 -4.215 -1.225) 4.703 6.284 ( 6.298 0.328 -4.112) 7.529 7.415 ( -8.840 12.716 -7.779) 17.331 7.749 ( -4.522 -12.313 1.157) 13.168 24.886 ( -2.940 0.277 30.035) 30.180 27.297 ( 2.139 -0.213 6.661) 6.999 28.826 ( 6.337 0.666 -6.430) 9.052 32.475 ( -6.225 0.381 -30.259) 30.895 96.185 ( -7.811 1.349 17.899) 19.576 98.085 ( -2.223 -1.820 -5.950) 6.607======================= Grid point 366 (108/343) =======================q-point: ( 0.23 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.377 ( 13.062 -1.194 5.912) 14.387 1.541 ( 12.506 -6.691 4.152) 14.779 2.284 ( -2.153 0.213 -1.931) 2.901 2.575 ( 6.353 4.837 6.587) 10.351 2.699 ( 10.064 -3.556 4.881) 11.736 2.863 ( -5.428 2.335 -2.108) 6.274 4.354 ( -2.359 0.973 3.104) 4.019 4.495 ( 1.637 -2.823 -1.340) 3.528 4.799 ( 20.120 -0.897 -4.885) 20.724 6.396 ( 5.637 -0.671 -2.403) 6.165 7.173 ( -8.607 9.312 -11.162) 16.893 7.735 ( -4.592 -7.912 -0.491) 9.161 24.842 ( -1.674 0.186 29.052) 29.100 27.342 ( 2.347 -0.412 8.329) 8.663 28.923 ( 4.685 0.825 -3.867) 6.131 32.350 ( -6.455 0.812 -29.447) 30.157 96.071 ( -3.883 1.075 15.859) 16.362 98.059 ( -1.972 -1.901 -5.477) 6.124======================= Grid point 367 (109/343) =======================q-point: ( 0.31 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 11.227 -2.257 2.872) 11.807 1.787 ( 9.160 -4.335 2.456) 10.427 2.245 ( -1.752 -0.475 -1.384) 2.283 2.592 ( 1.168 4.257 5.739) 7.240 2.683 ( -6.845 2.408 -1.084) 7.337 2.982 ( 10.526 -2.409 1.003) 10.845 4.312 ( -1.601 0.233 0.043) 1.618 4.548 ( 1.972 -2.147 -1.836) 3.445 5.135 ( 14.776 -0.673 -7.947) 16.791 6.499 ( 3.576 -3.053 -1.916) 5.077 6.966 ( -6.590 7.824 -12.215) 15.932 7.703 ( -3.371 -4.505 -1.877) 5.931 24.818 ( -0.905 0.073 28.396) 28.410 27.386 ( 1.978 -0.446 9.789) 9.997 28.988 ( 2.895 0.655 -2.129) 3.653 32.234 ( -5.161 0.877 -28.706) 29.179 96.013 ( -1.892 0.663 14.258) 14.398 98.042 ( -1.095 -1.387 -5.047) 5.347======================= Grid point 368 (110/343) =======================q-point: ( 0.38 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( 7.396 -1.652 0.945) 7.637 1.919 ( 2.624 -0.289 0.714) 2.734 2.245 ( 0.636 -2.966 0.678) 3.108 2.524 ( -5.435 2.904 2.319) 6.585 2.598 ( 0.302 2.862 3.665) 4.660 3.137 ( 4.407 -1.327 -2.455) 5.216 4.293 ( -0.367 0.051 -2.086) 2.119 4.595 ( 1.879 -0.685 -2.370) 3.101 5.337 ( 6.234 -0.041 -10.177) 11.935 6.542 ( -4.414 -8.196 -6.172) 11.169 6.847 ( 1.558 9.552 -7.655) 12.339 7.686 ( -0.684 -2.008 -2.614) 3.366 24.806 ( -0.335 -0.019 28.090) 28.092 27.417 ( 0.997 -0.226 10.671) 10.719 29.019 ( 0.793 0.322 -1.362) 1.608 32.156 ( -2.460 0.396 -28.247) 28.357 95.986 ( -0.801 0.245 13.319) 13.345 98.040 ( 0.163 -0.567 -4.854) 4.889======================= Grid point 369 (111/343) =======================q-point: (-0.54 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( -3.352 2.110 -0.777) 4.036 1.935 ( 2.434 0.975 0.650) 2.701 2.269 ( -2.298 -2.738 1.060) 3.728 2.453 ( 0.174 -0.551 5.210) 5.242 2.593 ( 1.329 2.681 2.438) 3.860 3.160 ( -2.466 0.067 -3.300) 4.120 4.296 ( 0.658 0.210 -2.178) 2.285 4.623 ( 1.247 1.149 -2.736) 3.219 5.356 ( -3.844 1.254 -11.083) 11.798 6.463 ( -10.353 -11.270 -11.588) 19.196 6.877 ( 7.614 9.235 -1.991) 12.133 7.715 ( 3.128 -0.090 -2.104) 3.771 24.805 ( 0.167 -0.096 28.022) 28.023 27.424 ( -0.333 0.189 10.720) 10.727 29.012 ( -1.477 -0.116 -1.417) 2.050 32.142 ( 0.985 -0.491 -28.238) 28.259 95.978 ( -0.008 -0.229 13.016) 13.018 98.057 ( 1.567 0.472 -5.044) 5.302======================= Grid point 370 (112/343) =======================q-point: (-0.46 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.728 ( -8.322 4.876 -0.795) 9.678 1.927 ( -2.291 4.314 2.571) 5.520 2.229 ( -1.957 -2.283 -0.613) 3.069 2.477 ( -1.245 -2.957 7.324) 7.996 2.636 ( 5.090 0.468 -0.092) 5.113 3.049 ( -8.492 1.836 -0.878) 8.732 4.313 ( 1.369 0.278 -0.328) 1.435 4.621 ( -0.157 2.496 -2.363) 3.441 5.184 ( -12.493 2.898 -10.369) 16.492 6.349 ( -11.068 -12.760 -13.297) 21.497 6.966 ( 8.103 7.261 -0.715) 10.904 7.801 ( 6.641 1.815 -0.331) 6.893 24.814 ( 0.661 -0.193 28.148) 28.156 27.403 ( -1.545 0.606 9.915) 10.053 28.967 ( -3.633 -0.642 -2.129) 4.260 32.198 ( 4.155 -1.394 -28.724) 29.056 95.990 ( 0.849 -0.830 13.374) 13.426 98.091 ( 2.938 1.673 -5.661) 6.593======================= Grid point 371 (113/343) =======================q-point: (-0.38 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( -11.144 6.924 -0.308) 13.124 1.788 ( -6.962 8.740 5.425) 12.421 2.245 ( 0.889 -3.373 -2.076) 4.059 2.443 ( -4.632 -3.341 7.068) 9.087 2.743 ( 3.575 -0.747 -1.543) 3.965 2.841 ( -9.631 2.318 4.440) 10.856 4.340 ( 1.620 0.060 2.270) 2.790 4.574 ( -3.849 1.750 -0.461) 4.254 4.880 ( -15.722 5.174 -8.783) 18.737 6.238 ( -10.938 -13.181 -14.208) 22.254 7.066 ( 7.002 4.245 -0.054) 8.188 7.929 ( 9.230 4.210 1.849) 10.312 24.833 ( 1.222 -0.388 28.545) 28.574 27.362 ( -2.226 0.829 8.480) 8.807 28.889 ( -5.444 -1.211 -3.405) 6.534 32.308 ( 6.128 -1.907 -29.599) 30.287 96.025 ( 2.100 -1.746 14.455) 14.711 98.140 ( 4.144 3.027 -6.651) 8.401======================= Grid point 372 (114/343) =======================q-point: (-0.31 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.223 ( -12.635 8.280 1.397) 15.171 1.565 ( -8.806 11.333 8.414) 16.637 2.286 ( 0.092 -2.239 -1.191) 2.537 2.331 ( -9.991 -0.121 10.116) 14.218 2.584 ( -8.649 0.988 4.911) 9.995 2.893 ( 5.189 -3.546 -0.685) 6.322 4.342 ( -9.432 -0.693 0.750) 9.487 4.403 ( -7.356 -0.330 4.282) 8.518 4.635 ( -3.921 7.222 -5.341) 9.801 6.132 ( -10.602 -12.728 -14.391) 21.943 7.160 ( 4.850 0.253 1.602) 5.114 8.077 ( 11.083 7.348 3.285) 13.698 24.867 ( 2.003 -0.847 29.321) 29.402 27.313 ( -2.231 0.793 6.792) 7.193 28.785 ( -6.860 -1.684 -5.114) 8.720 32.441 ( 6.467 -1.834 -30.645) 31.373 96.100 ( 4.201 -3.511 16.265) 17.161 98.199 ( 5.078 4.643 -7.947) 10.512======================= Grid point 373 (115/343) =======================q-point: (-0.23 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.940 ( -10.631 7.462 6.894) 14.705 1.313 ( -9.070 11.492 12.189) 19.050 2.041 ( -14.712 9.290 18.316) 25.263 2.282 ( -3.312 -1.914 -0.019) 3.825 2.519 ( -1.244 -4.761 4.598) 6.735 3.009 ( 4.093 -4.332 -2.773) 6.573 4.009 ( -18.307 -0.205 1.677) 18.385 4.402 ( 0.790 -0.174 3.606) 3.696 4.560 ( -0.911 4.120 -1.298) 4.414 6.028 ( -10.084 -11.528 -12.632) 19.854 7.243 ( 2.433 -4.861 4.490) 7.050 8.223 ( 11.571 11.510 2.953) 16.586 24.924 ( 3.197 -1.915 30.277) 30.505 27.271 ( -1.694 0.586 5.250) 5.548 28.660 ( -7.905 -1.683 -6.691) 10.493 32.564 ( 5.272 -1.248 -31.621) 32.082 96.244 ( 7.483 -7.343 18.144) 20.956 98.257 ( 5.533 6.785 -9.629) 13.015======================= Grid point 374 (116/343) =======================q-point: (-0.15 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( -1.459 2.374 16.727) 16.958 1.075 ( -8.428 8.258 16.574) 20.345 1.700 ( -11.240 15.590 24.031) 30.771 2.220 ( -4.178 -2.567 3.344) 5.935 2.554 ( 0.768 -3.856 4.233) 5.777 3.102 ( 2.315 -4.609 -4.247) 6.682 3.735 ( -10.668 -0.544 3.459) 11.228 4.412 ( 0.242 0.305 -0.189) 0.433 4.530 ( -0.364 0.935 0.281) 1.042 5.932 ( -7.730 -9.179 -7.119) 13.953 7.330 ( 0.751 -11.733 7.671) 14.038 8.315 ( 8.530 16.984 0.330) 19.008 25.014 ( 4.011 -3.941 30.094) 30.615 27.244 ( -0.879 0.358 4.183) 4.290 28.522 ( -7.279 -0.609 -6.569) 9.824 32.648 ( 2.928 -0.418 -32.291) 32.426 96.487 ( 9.553 -14.525 16.964) 24.290 98.295 ( 4.469 9.676 -11.795) 15.897======================= Grid point 375 (117/343) =======================q-point: (-0.08 0.08 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( -0.000 -4.085 21.711) 22.092 0.921 ( 0.000 4.002 19.990) 20.386 1.452 ( 0.000 18.017 27.633) 32.988 2.194 ( -0.000 -2.065 4.708) 5.141 2.585 ( -0.000 -2.266 4.523) 5.059 3.156 ( -0.000 -4.270 -4.789) 6.416 3.639 ( -0.000 -0.649 4.029) 4.081 4.410 ( 0.000 0.562 -2.877) 2.932 4.529 ( -0.000 -0.478 -0.683) 0.834 5.907 ( -0.000 -5.850 -1.007) 5.936 7.450 ( -0.000 -19.797 8.582) 21.578 8.256 ( 0.000 22.933 -2.151) 23.034 25.097 ( -0.000 -4.902 27.920) 28.347 27.233 ( 0.000 0.211 3.793) 3.799 28.441 ( 0.000 0.430 -4.913) 4.932 32.676 ( 0.000 0.158 -32.260) 32.261 96.730 ( -0.000 -18.949 10.669) 21.746 98.261 ( 0.000 11.629 -11.817) 16.579======================= Grid point 378 (118/343) =======================q-point: ( 0.15 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 12.135 -0.000 9.443) 15.376 1.486 ( 14.644 -0.000 1.603) 14.731 2.285 ( -2.312 0.000 -1.952) 3.026 2.637 ( 0.921 -0.000 6.322) 6.389 2.646 ( 16.309 -0.000 6.195) 17.446 2.882 ( -6.340 0.000 -3.362) 7.176 4.364 ( -3.031 0.000 3.636) 4.734 4.472 ( 2.313 -0.000 -1.620) 2.824 4.794 ( 20.403 -0.000 -4.508) 20.895 6.387 ( 4.737 -0.000 -0.576) 4.772 7.260 ( -10.959 0.000 -13.736) 17.572 7.662 ( -1.660 0.000 0.096) 1.663 24.844 ( -1.757 0.000 29.128) 29.181 27.339 ( 2.365 -0.000 8.306) 8.636 28.929 ( 4.527 -0.000 -3.972) 6.023 32.356 ( -6.486 0.000 -29.415) 30.122 96.079 ( -4.236 0.000 16.083) 16.631 98.045 ( -1.519 0.000 -5.258) 5.473======================= Grid point 379 (119/343) =======================q-point: ( 0.23 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 11.496 -0.671 5.145) 12.613 1.741 ( 11.482 -1.770 1.174) 11.677 2.239 ( -2.567 -0.265 -1.736) 3.111 2.641 ( 0.562 2.105 6.381) 6.743 2.707 ( -7.052 0.828 -1.489) 7.255 2.954 ( 11.160 -1.097 0.467) 11.223 4.316 ( -1.890 0.174 0.184) 1.906 4.525 ( 2.952 -0.869 -1.448) 3.402 5.130 ( 15.142 -0.145 -7.639) 16.961 6.455 ( 1.303 -1.981 0.662) 2.462 7.066 ( -7.063 4.401 -14.797) 16.977 7.647 ( -1.227 -2.526 -2.030) 3.466 24.819 ( -0.979 0.021 28.462) 28.479 27.382 ( 2.087 -0.165 9.755) 9.977 28.995 ( 2.669 0.259 -2.151) 3.437 32.242 ( -5.403 0.311 -28.696) 29.202 96.020 ( -2.210 0.251 14.497) 14.666 98.028 ( -0.525 -0.529 -4.859) 4.915======================= Grid point 380 (120/343) =======================q-point: ( 0.31 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( 8.192 -0.907 1.973) 8.475 1.917 ( 5.988 -0.035 1.078) 6.084 2.205 ( -1.554 -2.163 -0.490) 2.709 2.559 ( -6.560 1.850 0.201) 6.818 2.640 ( 0.672 2.445 6.063) 6.572 3.119 ( 5.145 -1.094 -3.253) 6.185 4.294 ( -0.323 0.095 -2.045) 2.073 4.588 ( 3.134 -0.335 -1.972) 3.718 5.339 ( 6.991 0.203 -10.242) 12.403 6.438 ( -6.397 -5.415 -3.414) 9.049 6.968 ( 1.097 6.390 -10.059) 11.967 7.656 ( 0.717 -1.876 -2.767) 3.419 24.806 ( -0.399 -0.030 28.119) 28.122 27.415 ( 1.225 -0.139 10.647) 10.718 29.024 ( 0.543 0.225 -1.349) 1.472 32.161 ( -2.960 0.216 -28.249) 28.405 95.989 ( -1.097 0.148 13.428) 13.473 98.033 ( 0.796 -0.351 -4.767) 4.846======================= Grid point 381 (121/343) =======================q-point: ( 0.38 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 1.058 1.021 -0.705) 1.630 1.958 ( 1.508 2.335 0.790) 2.890 2.212 ( -1.654 -4.552 0.855) 4.918 2.458 ( -2.448 0.825 3.586) 4.420 2.638 ( 1.360 3.163 5.046) 6.108 3.157 ( -1.580 -0.399 -5.136) 5.388 4.299 ( 0.821 0.239 -2.208) 2.368 4.639 ( 2.391 0.933 -2.584) 3.642 5.376 ( -2.429 1.452 -12.136) 12.461 6.313 ( -11.655 -8.822 -9.032) 17.182 6.997 ( 6.309 6.971 -3.623) 10.076 7.709 ( 4.064 -0.723 -1.922) 4.553 24.804 ( 0.102 -0.104 28.001) 28.002 27.426 ( -0.047 0.114 10.733) 10.734 29.011 ( -1.754 -0.008 -1.448) 2.275 32.136 ( 0.348 -0.360 -28.232) 28.236 95.976 ( -0.335 -0.149 12.894) 12.899 98.062 ( 2.264 0.285 -5.098) 5.586======================= Grid point 382 (122/343) =======================q-point: (-0.54 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( -6.228 5.439 -1.558) 8.414 1.978 ( 0.509 2.503 1.733) 3.087 2.183 ( -3.617 -3.886 -0.489) 5.331 2.446 ( -0.816 -1.403 7.545) 7.718 2.658 ( 3.357 2.197 2.635) 4.800 3.070 ( -7.274 1.109 -3.739) 8.254 4.318 ( 1.392 0.374 -0.457) 1.512 4.653 ( -0.053 1.887 -2.161) 2.870 5.234 ( -10.312 3.866 -12.865) 16.935 6.159 ( -12.964 -12.680 -12.564) 22.061 7.075 ( 7.273 7.211 -0.139) 10.243 7.817 ( 7.399 0.455 0.353) 7.421 24.811 ( 0.564 -0.197 28.028) 28.035 27.411 ( -1.319 0.476 9.974) 10.072 28.960 ( -3.940 -0.397 -2.173) 4.517 32.179 ( 3.605 -1.186 -28.724) 28.974 95.979 ( 0.409 -0.632 12.945) 12.967 98.112 ( 3.697 1.240 -5.913) 7.083======================= Grid point 383 (123/343) =======================q-point: (-0.46 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -8.830 8.052 -1.470) 12.040 1.903 ( -4.788 6.964 4.310) 9.487 2.178 ( -0.479 -5.641 -2.229) 6.084 2.410 ( -4.094 -1.367 7.918) 9.018 2.733 ( 4.730 -0.458 1.492) 4.981 2.883 ( -10.557 3.168 0.648) 11.042 4.344 ( 1.554 0.312 2.185) 2.699 4.591 ( -6.484 0.708 0.220) 6.526 4.971 ( -12.090 7.299 -12.291) 18.722 6.022 ( -12.869 -15.851 -15.696) 25.754 7.154 ( 6.599 7.041 1.985) 9.852 7.971 ( 9.848 1.744 3.255) 10.518 24.828 ( 1.017 -0.369 28.236) 28.257 27.373 ( -2.148 0.753 8.573) 8.870 28.874 ( -5.724 -0.874 -3.283) 6.656 32.280 ( 5.847 -1.877 -29.659) 30.288 96.002 ( 1.344 -1.418 13.659) 13.798 98.180 ( 4.961 2.399 -7.184) 9.054======================= Grid point 384 (124/343) =======================q-point: (-0.38 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( -10.221 10.889 -0.645) 14.948 1.717 ( -8.345 9.616 6.559) 14.323 2.229 ( 0.801 -5.654 -2.415) 6.200 2.321 ( -6.320 -1.004 9.071) 11.101 2.626 ( -11.263 4.440 5.477) 13.288 2.852 ( 4.946 -2.016 0.679) 5.384 4.337 ( -10.776 -0.135 0.945) 10.818 4.397 ( -5.421 -0.436 4.799) 7.253 4.747 ( -5.350 8.354 -8.341) 12.961 5.910 ( -12.128 -17.152 -17.916) 27.609 7.214 ( 4.989 6.203 3.989) 8.904 8.152 ( 11.430 3.187 5.580) 13.113 24.855 ( 1.523 -0.768 28.750) 28.800 27.325 ( -2.299 0.816 6.896) 7.315 28.763 ( -6.923 -1.261 -4.570) 8.391 32.412 ( 6.486 -2.141 -30.827) 31.575 96.053 ( 2.640 -2.882 15.068) 15.567 98.260 ( 5.954 3.682 -8.865) 11.296======================= Grid point 385 (125/343) =======================q-point: (-0.31 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( -9.138 12.879 2.623) 16.008 1.468 ( -10.637 9.913 9.473) 17.354 2.174 ( -7.604 6.993 15.389) 18.535 2.248 ( -3.624 -2.433 -0.075) 4.366 2.453 ( -4.144 -2.886 5.277) 7.304 2.958 ( 4.328 -2.726 -1.321) 5.282 4.007 ( -18.304 -0.143 1.490) 18.366 4.402 ( 1.013 0.088 5.472) 5.566 4.624 ( -3.507 4.721 -3.943) 7.081 5.819 ( -10.735 -16.458 -17.406) 26.250 7.249 ( 2.929 4.516 6.263) 8.258 8.340 ( 11.586 4.902 6.158) 14.007 24.897 ( 2.120 -1.702 29.588) 29.712 27.280 ( -1.826 0.686 5.347) 5.692 28.638 ( -7.346 -1.182 -5.632) 9.332 32.541 ( 5.478 -1.932 -31.971) 32.494 96.147 ( 4.242 -5.865 16.934) 18.416 98.344 ( 6.419 5.049 -11.049) 13.740======================= Grid point 386 (126/343) =======================q-point: (-0.23 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( -2.505 11.461 9.488) 15.089 1.195 ( -10.852 8.517 13.746) 19.475 1.950 ( -5.536 17.939 21.733) 28.719 2.171 ( -5.186 -4.027 3.732) 7.552 2.478 ( 0.714 -6.394 3.112) 7.147 3.046 ( 2.811 -2.881 -3.630) 5.420 3.726 ( -11.227 -0.701 3.174) 11.688 4.416 ( 0.626 0.320 3.405) 3.477 4.544 ( -2.719 0.932 -1.686) 3.332 5.757 ( -7.450 -14.260 -12.895) 20.618 7.263 ( 1.093 1.418 8.536) 8.722 8.489 ( 8.403 7.362 4.225) 11.944 24.959 ( 2.302 -3.543 30.244) 30.538 27.250 ( -0.972 0.495 4.264) 4.401 28.516 ( -5.933 -0.193 -5.669) 8.208 32.634 ( 3.143 -1.398 -32.849) 33.028 96.296 ( 4.772 -11.339 18.133) 21.913 98.415 ( 5.192 6.539 -13.896) 16.212======================= Grid point 387 (127/343) =======================q-point: (-0.15 0.15 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( 0.000 5.758 14.823) 15.902 1.003 ( 0.000 7.182 18.107) 19.480 1.746 ( 0.000 21.529 24.593) 32.685 2.149 ( -0.000 -4.062 5.096) 6.517 2.531 ( -0.000 -5.293 3.443) 6.314 3.096 ( -0.000 -3.462 -4.721) 5.855 3.626 ( -0.000 -1.148 4.009) 4.170 4.419 ( 0.000 0.652 0.449) 0.791 4.519 ( -0.000 -0.847 -0.822) 1.180 5.775 ( -0.000 -11.897 -7.155) 13.883 7.279 ( -0.000 -4.048 9.750) 10.557 8.507 ( 0.000 11.634 1.054) 11.682 25.019 ( -0.000 -5.323 29.946) 30.416 27.238 ( 0.000 0.375 3.856) 3.875 28.450 ( 0.000 0.760 -4.924) 4.982 32.672 ( -0.000 -0.762 -33.071) 33.079 96.456 ( -0.000 -17.028 17.214) 24.213 98.415 ( 0.000 8.618 -15.573) 17.799======================= Grid point 392 (128/343) =======================q-point: ( 0.23 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( 8.445 -0.000 2.403) 8.780 1.917 ( 7.518 -0.000 1.275) 7.626 2.189 ( -2.604 0.000 -1.056) 2.809 2.573 ( -6.957 0.000 -0.476) 6.973 2.659 ( 0.732 -0.000 7.021) 7.059 3.110 ( 5.443 -0.000 -3.773) 6.622 4.295 ( -0.319 0.000 -2.030) 2.055 4.585 ( 3.617 -0.000 -1.788) 4.035 5.341 ( 7.279 -0.000 -10.317) 12.626 6.397 ( -6.812 0.000 -2.701) 7.327 7.016 ( 0.416 -0.000 -10.618) 10.626 7.641 ( 1.423 -0.000 -2.786) 3.128 24.806 ( -0.422 0.000 28.131) 28.134 27.414 ( 1.307 -0.000 10.638) 10.718 29.025 ( 0.450 -0.000 -1.346) 1.419 32.162 ( -3.140 0.000 -28.250) 28.424 95.990 ( -1.207 0.000 13.468) 13.522 98.031 ( 1.030 -0.000 -4.733) 4.844======================= Grid point 393 (129/343) =======================q-point: ( 0.31 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( 3.799 0.204 -0.272) 3.814 1.994 ( 1.222 1.972 0.896) 2.487 2.154 ( -2.098 -2.761 0.408) 3.492 2.469 ( -3.581 0.460 2.394) 4.332 2.673 ( 1.275 1.361 7.235) 7.472 3.151 ( -1.027 -0.254 -6.857) 6.938 4.302 ( 0.918 0.109 -2.225) 2.409 4.648 ( 2.991 0.361 -2.424) 3.867 5.393 ( -1.363 0.701 -13.057) 13.147 6.222 ( -12.631 -3.395 -7.455) 15.055 7.068 ( 5.479 2.612 -4.319) 7.450 7.699 ( 4.691 -0.429 -1.811) 5.047 24.803 ( 0.067 -0.045 27.992) 27.992 27.427 ( 0.114 0.037 10.738) 10.739 29.012 ( -1.907 0.012 -1.467) 2.406 32.132 ( -0.013 -0.132 -28.228) 28.229 95.974 ( -0.516 -0.051 12.826) 12.836 98.065 ( 2.650 0.093 -5.122) 5.767======================= Grid point 394 (130/343) =======================q-point: (-0.62 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( -3.830 5.379 -1.947) 6.885 1.995 ( 0.828 -0.308 0.477) 1.004 2.127 ( -3.692 -3.370 0.588) 5.034 2.434 ( -0.925 -0.328 6.547) 6.620 2.689 ( 1.892 1.796 6.437) 6.946 3.082 ( -6.163 0.492 -7.052) 9.379 4.323 ( 1.406 0.267 -0.546) 1.532 4.674 ( -0.266 0.995 -1.873) 2.137 5.289 ( -7.750 3.350 -15.901) 18.004 6.002 ( -15.089 -8.332 -10.231) 20.044 7.161 ( 6.804 4.277 -0.240) 8.040 7.818 ( 7.796 -0.132 0.781) 7.836 24.809 ( 0.506 -0.127 27.947) 27.952 27.416 ( -1.157 0.258 10.013) 10.083 28.956 ( -4.133 -0.172 -2.218) 4.694 32.165 ( 3.204 -0.681 -28.722) 28.908 95.972 ( 0.128 -0.337 12.651) 12.656 98.126 ( 4.173 0.646 -6.068) 7.393======================= Grid point 395 (131/343) =======================q-point: (-0.54 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( -6.548 8.257 -1.997) 10.726 1.983 ( -2.706 3.541 2.724) 5.223 2.090 ( -2.252 -5.998 -1.758) 6.643 2.399 ( -3.672 -0.244 8.181) 8.971 2.729 ( 2.996 -0.230 5.668) 6.415 2.927 ( -8.778 2.696 -3.840) 9.953 4.348 ( 1.513 0.306 2.188) 2.677 4.597 ( -8.307 0.214 0.690) 8.338 5.085 ( -8.692 8.165 -16.804) 20.605 5.800 ( -15.031 -14.188 -13.880) 24.897 7.250 ( 6.453 5.675 2.514) 8.953 7.984 ( 9.908 0.267 4.230) 10.776 24.823 ( 0.885 -0.266 27.984) 27.999 27.383 ( -2.080 0.518 8.648) 8.910 28.864 ( -5.882 -0.481 -3.250) 6.737 32.256 ( 5.581 -1.373 -29.695) 30.246 95.985 ( 0.852 -0.898 13.038) 13.097 98.208 ( 5.433 1.480 -7.542) 9.412======================= Grid point 396 (132/343) =======================q-point: (-0.46 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( -7.542 11.406 -1.535) 13.760 1.840 ( -7.866 7.148 4.956) 11.728 2.131 ( 0.500 -7.534 -2.369) 7.913 2.304 ( -6.674 -1.300 7.288) 9.967 2.695 ( -8.589 4.506 6.630) 11.749 2.834 ( 3.577 -0.441 0.802) 3.692 4.338 ( -12.658 0.237 1.314) 12.728 4.390 ( -3.185 -0.520 5.185) 6.107 4.877 ( -6.639 9.628 -11.824) 16.631 5.657 ( -12.617 -17.272 -18.816) 28.487 7.314 ( 5.211 6.820 4.775) 9.822 8.176 ( 10.955 0.473 7.371) 13.212 24.845 ( 1.203 -0.561 28.210) 28.241 27.336 ( -2.359 0.658 6.994) 7.410 28.749 ( -6.849 -0.728 -4.287) 8.113 32.382 ( 6.430 -1.891 -30.951) 31.668 96.018 ( 1.674 -1.935 14.027) 14.258 98.304 ( 6.257 2.358 -9.450) 11.577======================= Grid point 397 (133/343) =======================q-point: (-0.38 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( -7.027 14.636 0.394) 16.240 1.602 ( -11.122 8.726 7.568) 16.035 2.172 ( -5.770 -4.638 1.936) 7.652 2.213 ( -0.788 -4.865 4.643) 6.771 2.496 ( -6.511 8.439 10.905) 15.249 2.926 ( 4.497 -1.895 0.386) 4.895 4.006 ( -18.293 0.023 1.565) 18.360 4.404 ( 1.104 0.065 6.719) 6.810 4.697 ( -6.800 5.446 -5.852) 10.495 5.577 ( -9.307 -16.345 -21.207) 28.347 7.342 ( 3.423 7.503 6.823) 10.703 8.376 ( 10.559 0.460 9.014) 13.891 24.876 ( 1.433 -1.207 28.743) 28.804 27.290 ( -1.957 0.631 5.451) 5.826 28.626 ( -6.734 -0.582 -5.054) 8.440 32.511 ( 5.555 -2.089 -32.196) 32.739 96.077 ( 2.430 -3.876 15.507) 16.168 98.402 ( 6.325 3.017 -11.731) 13.665======================= Grid point 398 (134/343) =======================q-point: (-0.31 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( -2.632 15.692 4.515) 16.539 1.324 ( -10.960 9.280 11.461) 18.373 2.085 ( -5.205 -4.896 6.172) 9.443 2.199 ( -1.941 10.144 12.939) 16.556 2.394 ( -0.625 -2.290 5.470) 5.963 3.016 ( 3.554 -1.530 -2.374) 4.539 3.716 ( -11.965 -0.633 2.935) 12.336 4.420 ( 0.799 0.207 6.133) 6.188 4.557 ( -5.343 0.916 -2.573) 6.001 5.547 ( -5.618 -14.057 -19.107) 24.377 7.334 ( 1.539 7.277 8.509) 11.302 8.543 ( 7.329 0.766 8.416) 11.186 24.915 ( 1.301 -2.412 29.478) 29.605 27.257 ( -1.072 0.520 4.362) 4.522 28.517 ( -4.833 0.214 -5.204) 7.105 32.609 ( 3.223 -2.011 -33.139) 33.356 96.163 ( 2.394 -7.145 17.040) 18.632 98.485 ( 4.700 3.390 -14.269) 15.401======================= Grid point 399 (135/343) =======================q-point: (-0.23 0.23 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( 0.000 13.594 7.433) 15.494 1.123 ( 0.000 9.257 15.823) 18.332 2.051 ( 0.000 19.862 20.604) 28.619 2.077 ( -0.000 -5.918 5.709) 8.222 2.437 ( -0.000 -7.088 2.624) 7.558 3.062 ( -0.000 -1.309 -4.453) 4.641 3.607 ( -0.000 -1.383 3.988) 4.221 4.427 ( 0.000 0.498 3.931) 3.963 4.505 ( -0.000 -1.021 -1.021) 1.444 5.587 ( -0.000 -13.211 -14.732) 19.788 7.300 ( 0.000 5.501 9.382) 10.876 8.606 ( 0.000 2.771 6.120) 6.718 24.952 ( -0.000 -3.736 29.999) 30.231 27.244 ( 0.000 0.454 3.946) 3.972 28.462 ( 0.000 0.915 -4.938) 5.022 32.653 ( -0.000 -1.741 -33.460) 33.505 96.256 ( -0.000 -10.828 17.908) 20.927 98.507 ( 0.000 4.306 -15.890) 16.463======================= Grid point 406 (136/343) =======================q-point: (-0.69 0.31 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 0.372 -0.000 -2.312) 2.342 1.974 ( -3.778 0.000 -0.539) 3.816 2.101 ( -2.276 0.000 1.894) 2.961 2.432 ( -1.052 0.000 5.926) 6.019 2.703 ( 1.303 -0.000 8.315) 8.416 3.085 ( -5.684 0.000 -8.639) 10.341 4.325 ( 1.406 -0.000 -0.581) 1.522 4.681 ( -0.398 0.000 -1.746) 1.790 5.316 ( -6.339 0.000 -17.611) 18.717 5.938 ( -16.294 0.000 -8.724) 18.482 7.193 ( 6.646 -0.000 -0.320) 6.654 7.817 ( 7.925 -0.000 0.927) 7.979 24.808 ( 0.487 -0.000 27.918) 27.923 27.418 ( -1.098 0.000 10.027) 10.086 28.954 ( -4.199 0.000 -2.238) 4.758 32.160 ( 3.057 -0.000 -28.720) 28.883 95.969 ( 0.032 -0.000 12.547) 12.547 98.131 ( 4.334 -0.000 -6.120) 7.499======================= Grid point 408 (137/343) =======================q-point: (-0.62 0.31 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( -4.789 7.574 -2.076) 9.199 1.962 ( -1.829 -6.031 -2.289) 6.705 2.051 ( -3.314 0.412 2.599) 4.232 2.399 ( -3.470 0.057 7.815) 8.551 2.726 ( 1.488 -0.110 8.715) 8.842 2.955 ( -7.392 1.075 -6.639) 9.994 4.352 ( 1.486 0.124 2.205) 2.662 4.599 ( -9.161 0.039 0.909) 9.206 5.190 ( -5.014 5.013 -22.422) 23.516 5.636 ( -18.144 -7.162 -9.509) 21.701 7.308 ( 6.458 2.148 2.629) 7.296 7.984 ( 9.802 -0.090 4.719) 10.879 24.820 ( 0.823 -0.097 27.844) 27.856 27.388 ( -2.040 0.184 8.690) 8.928 28.859 ( -5.948 -0.147 -3.255) 6.782 32.242 ( 5.421 -0.503 -29.711) 30.205 95.976 ( 0.615 -0.305 12.702) 12.721 98.222 ( 5.635 0.494 -7.717) 9.568======================= Grid point 409 (138/343) =======================q-point: (-0.54 0.31 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( -5.226 10.503 -1.820) 11.872 1.914 ( -6.596 2.083 3.052) 7.561 2.023 ( -0.525 -6.346 -1.485) 6.538 2.286 ( -8.817 -1.153 6.302) 10.899 2.743 ( -1.673 1.954 8.632) 9.007 2.839 ( -1.301 0.827 -0.510) 1.624 4.342 ( -15.103 0.363 1.779) 15.211 4.383 ( -0.545 -0.471 5.310) 5.359 5.027 ( -7.301 11.130 -16.006) 20.817 5.419 ( -12.881 -15.411 -17.391) 26.568 7.397 ( 5.493 4.276 5.012) 8.578 8.174 ( 10.297 -0.467 8.484) 13.350 24.839 ( 1.034 -0.292 27.830) 27.850 27.343 ( -2.398 0.365 7.063) 7.468 28.742 ( -6.753 -0.307 -4.180) 7.948 32.360 ( 6.361 -1.106 -31.021) 31.686 95.997 ( 1.178 -0.954 13.341) 13.427 98.328 ( 6.288 1.115 -9.758) 11.662======================= Grid point 410 (139/343) =======================q-point: (-0.46 0.31 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( -4.901 14.031 -0.441) 14.869 1.719 ( -10.160 7.273 6.270) 13.980 2.079 ( -1.108 -8.100 -1.511) 8.314 2.126 ( -8.650 -6.021 5.218) 11.760 2.636 ( -2.960 9.644 10.515) 14.571 2.895 ( 4.057 -2.573 2.642) 5.482 4.007 ( -18.277 0.151 1.911) 18.377 4.404 ( 1.148 -0.027 7.531) 7.618 4.780 ( -11.120 5.929 -6.646) 14.247 5.360 ( -5.949 -13.248 -24.760) 28.705 7.446 ( 3.888 6.345 6.975) 10.200 8.365 ( 9.323 -1.421 11.062) 14.537 24.862 ( 1.074 -0.694 28.019) 28.048 27.298 ( -2.060 0.440 5.537) 5.924 28.621 ( -6.267 -0.199 -4.805) 7.900 32.483 ( 5.569 -1.592 -32.334) 32.848 96.034 ( 1.543 -2.139 14.385) 14.625 98.434 ( 5.949 1.494 -12.011) 13.486======================= Grid point 411 (140/343) =======================q-point: (-0.38 0.31 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( -2.400 16.207 2.538) 16.580 1.462 ( -9.823 9.777 9.276) 16.677 1.992 ( -6.951 -7.384 5.773) 11.669 2.174 ( 0.842 -8.919 0.863) 9.000 2.515 ( -1.012 13.596 13.804) 19.401 2.993 ( 4.109 -2.012 0.038) 4.575 3.708 ( -12.752 -0.410 2.899) 13.084 4.422 ( 0.846 0.044 8.028) 8.072 4.570 ( -8.073 0.891 -2.580) 8.522 5.365 ( -2.978 -10.712 -25.074) 27.429 7.448 ( 1.904 7.885 8.418) 11.690 8.527 ( 6.128 -2.443 11.671) 13.406 24.888 ( 0.819 -1.402 28.479) 28.525 27.264 ( -1.159 0.428 4.454) 4.623 28.521 ( -4.111 0.355 -5.014) 6.493 32.580 ( 3.245 -1.900 -33.304) 33.516 96.084 ( 1.333 -4.013 15.594) 16.157 98.519 ( 4.042 1.485 -14.143) 14.784======================= Grid point 412 (141/343) =======================q-point: (-0.31 0.31 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.198 ( 0.000 16.415 3.134) 16.712 1.266 ( 0.000 10.363 13.635) 17.126 1.979 ( -0.000 -7.555 6.512) 9.974 2.230 ( -0.000 -2.103 5.696) 6.072 2.411 ( 0.000 10.280 12.418) 16.121 3.048 ( -0.000 -0.986 -2.798) 2.967 3.587 ( -0.000 -1.300 3.976) 4.183 4.433 ( 0.000 0.263 7.005) 7.010 4.490 ( -0.000 -0.961 -1.236) 1.565 5.411 ( -0.000 -10.787 -22.183) 24.667 7.406 ( 0.000 8.324 9.052) 12.297 8.606 ( -0.000 -2.123 10.438) 10.651 24.910 ( -0.000 -2.216 29.054) 29.138 27.250 ( 0.000 0.429 4.040) 4.062 28.475 ( 0.000 0.860 -4.953) 5.027 32.625 ( -0.000 -2.038 -33.637) 33.698 96.135 ( -0.000 -6.164 16.577) 17.686 98.549 ( 0.000 1.765 -15.357) 15.458======================= Grid point 421 (142/343) =======================q-point: (-0.62 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( -4.176 0.000 -1.490) 4.434 1.881 ( -3.508 0.000 -1.518) 3.822 1.990 ( -3.397 0.000 2.362) 4.138 2.276 ( -10.113 0.000 5.961) 11.739 2.756 ( 2.197 -0.000 9.481) 9.732 2.847 ( -4.309 0.000 -1.112) 4.450 4.346 ( -16.991 0.000 1.995) 17.107 4.379 ( 1.408 -0.000 5.318) 5.501 5.176 ( -0.052 0.000 -27.889) 27.889 5.239 ( -20.414 0.000 -6.478) 21.418 7.429 ( 5.633 -0.000 5.059) 7.571 8.170 ( 9.996 -0.000 8.866) 13.361 24.837 ( 0.984 -0.000 27.693) 27.711 27.346 ( -2.412 0.000 7.088) 7.487 28.739 ( -6.713 0.000 -4.156) 7.895 32.352 ( 6.332 -0.000 -31.044) 31.683 95.990 ( 1.028 -0.000 13.103) 13.143 98.336 ( 6.273 -0.000 -9.852) 11.679======================= Grid point 423 (143/343) =======================q-point: (-0.54 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( -3.226 10.492 -0.427) 10.985 1.794 ( -7.157 1.502 4.778) 8.735 1.964 ( -1.035 -6.046 -1.165) 6.243 2.052 ( -13.635 -3.564 4.877) 14.913 2.759 ( -0.135 7.181 7.720) 10.544 2.845 ( 2.990 -4.475 5.571) 7.746 4.009 ( -18.266 0.090 2.255) 18.405 4.403 ( 1.165 -0.032 7.929) 8.015 4.857 ( -16.859 3.762 -4.931) 17.964 5.211 ( -0.612 -6.317 -28.951) 29.638 7.513 ( 4.236 2.498 6.974) 8.534 8.346 ( 8.484 -0.862 12.159) 14.852 24.856 ( 0.929 -0.224 27.610) 27.626 27.302 ( -2.115 0.158 5.585) 5.974 28.619 ( -6.025 -0.037 -4.723) 7.656 32.467 ( 5.566 -0.592 -32.402) 32.882 96.014 ( 1.188 -0.679 13.793) 13.861 98.448 ( 5.685 0.440 -12.108) 13.384======================= Grid point 424 (144/343) =======================q-point: (-0.46 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( -2.816 13.974 3.391) 14.653 1.604 ( -7.177 9.614 6.340) 13.569 1.877 ( -8.511 -8.340 6.541) 13.593 2.027 ( 0.162 -10.583 -0.906) 10.623 2.696 ( 0.325 10.661 10.593) 15.032 2.952 ( 4.502 -3.626 3.496) 6.755 3.704 ( -13.387 -0.173 3.059) 13.733 4.422 ( 0.841 -0.042 9.165) 9.203 4.582 ( -10.453 0.617 -2.056) 10.671 5.244 ( -0.482 -5.781 -29.740) 30.301 7.546 ( 2.222 5.111 8.294) 9.992 8.488 ( 5.200 -2.468 13.752) 14.908 24.874 ( 0.615 -0.631 27.730) 27.744 27.269 ( -1.218 0.241 4.519) 4.686 28.526 ( -3.719 0.247 -4.948) 6.195 32.557 ( 3.250 -1.135 -33.406) 33.583 96.043 ( 0.894 -1.787 14.594) 14.730 98.533 ( 3.589 0.514 -13.998) 14.460======================= Grid point 425 (145/343) =======================q-point: (-0.38 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 0.000 10.726 11.739) 15.901 1.435 ( 0.000 15.999 1.379) 16.058 1.860 ( -0.000 -8.900 7.473) 11.621 2.109 ( -0.000 -10.842 -0.027) 10.842 2.612 ( 0.000 13.524 12.896) 18.687 3.026 ( -0.000 -2.318 0.408) 2.354 3.571 ( -0.000 -0.922 3.973) 4.078 4.435 ( 0.000 0.046 9.385) 9.385 4.478 ( -0.000 -0.681 -1.416) 1.571 5.282 ( -0.000 -6.812 -28.229) 29.040 7.521 ( 0.000 7.087 8.854) 11.341 8.562 ( -0.000 -3.498 13.424) 13.872 24.886 ( -0.000 -1.131 28.072) 28.095 27.256 ( 0.000 0.305 4.117) 4.129 28.486 ( 0.000 0.609 -4.965) 5.002 32.598 ( -0.000 -1.582 -33.752) 33.789 96.070 ( -0.000 -3.111 15.264) 15.578 98.564 ( 0.000 0.575 -14.904) 14.915======================= Grid point 436 (146/343) =======================q-point: (-0.54 0.46 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( -4.758 0.000 8.648) 9.870 1.697 ( -1.440 0.000 1.097) 1.810 1.782 ( -11.449 0.000 6.704) 13.267 1.919 ( -0.671 0.000 -1.821) 1.941 2.792 ( -0.001 0.000 7.225) 7.225 2.908 ( 5.404 -0.000 6.780) 8.670 3.703 ( -13.636 0.000 3.171) 14.000 4.422 ( 0.834 -0.000 9.546) 9.583 4.586 ( -11.475 0.000 -1.712) 11.602 5.202 ( 0.608 -0.000 -31.590) 31.595 7.584 ( 2.367 -0.000 8.205) 8.539 8.468 ( 4.838 -0.000 14.501) 15.287 24.869 ( 0.560 -0.000 27.459) 27.465 27.271 ( -1.238 0.000 4.542) 4.708 28.527 ( -3.597 0.000 -4.933) 6.105 32.549 ( 3.251 -0.000 -33.442) 33.600 96.030 ( 0.774 -0.000 14.250) 14.271 98.536 ( 3.433 -0.000 -13.945) 14.361======================= Grid point 438 (147/343) =======================q-point: (-0.46 0.46 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( 0.000 10.424 10.233) 14.608 1.642 ( 0.000 11.014 1.441) 11.108 1.724 ( -0.000 -9.795 8.518) 12.981 1.953 ( -0.000 -9.263 -1.479) 9.380 2.766 ( 0.000 6.828 8.873) 11.196 2.984 ( -0.000 -2.763 4.442) 5.231 3.562 ( -0.000 -0.332 3.974) 3.988 4.435 ( -0.000 -0.021 10.696) 10.696 4.472 ( -0.000 -0.246 -1.519) 1.539 5.216 ( -0.000 -2.306 -31.655) 31.739 7.596 ( 0.000 2.845 8.667) 9.122 8.521 ( -0.000 -1.691 15.029) 15.124 24.876 ( -0.000 -0.344 27.500) 27.502 27.259 ( 0.000 0.110 4.161) 4.163 28.492 ( 0.000 0.220 -4.972) 4.977 32.582 ( -0.000 -0.591 -33.818) 33.823 96.041 ( -0.000 -0.947 14.551) 14.582 98.569 ( 0.000 0.116 -14.684) 14.685======================= Grid point 525 (148/343) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.279 ( 0.000 0.000 18.096) 18.096 1.350 ( 0.000 0.000 23.385) 23.385 1.835 ( 0.000 0.000 24.549) 24.549 2.282 ( 0.000 0.000 2.345) 2.345 2.716 ( 0.000 0.000 6.289) 6.289 3.071 ( 0.000 0.000 -7.015) 7.015 3.752 ( 0.000 0.000 6.818) 6.818 4.352 ( 0.000 0.000 -0.150) 0.150 4.511 ( 0.000 0.000 -1.606) 1.606 5.934 ( 0.000 0.000 -3.530) 3.530 7.880 ( 0.000 0.000 -1.843) 1.843 7.902 ( 0.000 0.000 6.940) 6.940 25.773 ( 0.000 0.000 37.401) 37.401 27.326 ( 0.000 0.000 5.649) 5.649 28.319 ( 0.000 0.000 -6.960) 6.960 31.915 ( 0.000 0.000 -43.907) 43.907 96.980 ( 0.000 0.000 4.931) 4.931 97.994 ( 0.000 0.000 -9.010) 9.010======================= Grid point 526 (149/343) =======================q-point: ( 0.08 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( -2.712 4.329 19.683) 20.335 1.368 ( 2.544 -2.238 21.167) 21.437 1.992 ( 11.454 -6.672 21.297) 25.085 2.292 ( 1.098 0.692 1.288) 1.829 2.704 ( -0.113 2.425 6.091) 6.557 3.047 ( -2.073 1.143 -6.358) 6.785 3.835 ( 8.794 0.317 5.841) 10.562 4.362 ( 0.823 -0.522 -0.128) 0.983 4.530 ( 1.658 0.079 -1.120) 2.003 5.946 ( 3.000 4.514 -5.212) 7.520 7.691 ( -5.397 17.433 3.810) 18.643 8.001 ( -5.267 -21.022 0.983) 21.694 25.732 ( -3.433 1.207 38.398) 38.570 27.342 ( 1.723 -0.162 6.133) 6.372 28.383 ( 6.320 -0.035 -7.600) 9.885 31.893 ( -2.172 0.411 -43.754) 43.810 96.875 ( -8.246 4.563 8.708) 12.831 97.997 ( -0.984 -2.809 -9.299) 9.764======================= Grid point 527 (150/343) =======================q-point: ( 0.15 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( 3.656 4.506 16.941) 17.907 1.470 ( 4.421 -7.388 17.390) 19.405 2.276 ( 11.070 -4.031 12.483) 17.164 2.304 ( 2.667 -0.730 3.180) 4.214 2.685 ( 0.935 4.590 5.117) 6.937 2.984 ( -3.567 1.152 -4.398) 5.779 4.056 ( 14.566 0.455 2.702) 14.821 4.390 ( 1.834 -0.605 0.180) 1.939 4.550 ( -0.275 -0.805 0.198) 0.873 5.981 ( 5.887 8.606 -9.304) 13.974 7.457 ( -8.719 10.027 3.926) 13.855 8.005 ( -8.832 -17.005 -0.384) 19.165 25.650 ( -3.942 1.404 39.607) 39.827 27.391 ( 3.212 -0.392 7.467) 8.138 28.527 ( 8.754 0.421 -7.792) 11.727 31.830 ( -4.052 0.948 -43.234) 43.434 96.667 ( -9.117 4.949 14.094) 17.500 97.992 ( -1.940 -3.272 -9.345) 10.090======================= Grid point 528 (151/343) =======================q-point: ( 0.23 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( 9.305 1.310 10.729) 14.262 1.628 ( 5.805 -8.991 12.886) 16.751 2.274 ( -1.396 1.482 -2.030) 2.874 2.547 ( 10.160 -0.388 10.605) 14.692 2.687 ( 3.516 2.623 3.649) 5.706 2.907 ( -3.805 0.163 -0.962) 3.928 4.314 ( 10.081 0.904 -2.670) 10.467 4.462 ( 7.785 -0.216 1.811) 7.996 4.531 ( -2.345 -2.682 0.167) 3.567 6.037 ( 7.806 11.502 -14.091) 19.794 7.235 ( -10.124 2.518 3.403) 10.973 7.932 ( -9.977 -12.247 -1.442) 15.862 25.576 ( -2.980 1.052 39.841) 39.966 27.464 ( 4.155 -0.641 9.338) 10.241 28.685 ( 8.465 0.872 -6.623) 10.784 31.734 ( -5.211 1.438 -42.352) 42.695 96.490 ( -6.427 3.631 16.470) 18.048 97.974 ( -2.218 -2.734 -8.908) 9.578======================= Grid point 529 (152/343) =======================q-point: ( 0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 11.014 -1.036 5.552) 12.378 1.800 ( 5.659 -7.958 8.235) 12.774 2.236 ( -1.098 1.446 -2.024) 2.719 2.610 ( 1.612 5.179 2.248) 5.872 2.756 ( -0.737 1.005 2.779) 3.046 2.908 ( 5.460 -2.890 4.620) 7.714 4.357 ( -1.907 1.073 -0.916) 2.372 4.504 ( -0.814 -2.820 -2.247) 3.697 4.722 ( 14.978 -0.665 -3.865) 15.483 6.097 ( 7.832 12.329 -18.812) 23.816 7.054 ( -9.356 -3.065 4.153) 10.685 7.824 ( -9.254 -7.953 -2.536) 12.462 25.525 ( -1.889 0.630 39.626) 39.676 27.549 ( 4.213 -0.771 11.327) 12.110 28.822 ( 6.840 1.010 -5.018) 8.543 31.623 ( -5.232 1.604 -41.287) 41.648 96.375 ( -3.788 2.371 16.833) 17.416 97.952 ( -1.891 -2.019 -8.292) 8.741======================= Grid point 530 (153/343) =======================q-point: ( 0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( 9.458 -1.576 2.680) 9.955 1.927 ( 2.360 -4.347 3.777) 6.224 2.232 ( 1.775 -0.127 -0.599) 1.878 2.581 ( -2.099 1.729 -1.526) 3.118 2.699 ( -1.750 2.897 6.445) 7.280 3.044 ( 5.504 -1.682 1.765) 6.019 4.291 ( -3.665 0.203 -1.656) 4.027 4.522 ( 0.475 -1.740 -3.830) 4.234 4.975 ( 11.088 -0.421 -8.469) 13.959 6.142 ( 5.557 9.944 -22.965) 25.635 6.938 ( -6.206 -4.960 6.328) 10.157 7.716 ( -6.887 -4.327 -3.486) 8.849 25.495 ( -1.003 0.300 39.427) 39.440 27.624 ( 3.179 -0.650 12.995) 13.394 28.920 ( 4.414 0.798 -3.756) 5.850 31.526 ( -3.910 1.272 -40.330) 40.539 96.310 ( -1.930 1.364 16.584) 16.751 97.935 ( -1.225 -1.254 -7.736) 7.933======================= Grid point 531 (154/343) =======================q-point: ( 0.46 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( 5.888 -0.918 1.400) 6.122 1.942 ( -2.154 -0.623 1.161) 2.525 2.295 ( 3.097 -1.015 0.332) 3.276 2.513 ( -3.376 0.311 -0.641) 3.451 2.671 ( 0.196 1.546 7.044) 7.214 3.119 ( 1.766 -0.404 -1.072) 2.105 4.240 ( -1.522 -0.035 -3.059) 3.417 4.538 ( 0.247 -0.569 -4.317) 4.361 5.121 ( 4.075 -0.162 -11.119) 11.844 6.160 ( 1.885 3.859 -25.265) 25.627 6.890 ( -1.991 -2.346 8.053) 8.621 7.644 ( -2.650 -1.335 -4.026) 5.002 25.482 ( -0.309 0.084 39.342) 39.344 27.669 ( 1.189 -0.257 13.953) 14.006 28.972 ( 1.522 0.304 -3.111) 3.477 31.468 ( -1.454 0.486 -39.767) 39.796 96.280 ( -0.590 0.451 16.356) 16.373 97.926 ( -0.420 -0.428 -7.411) 7.436======================= Grid point 539 (155/343) =======================q-point: ( 0.08 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.248 ( 3.335 -0.000 16.152) 16.493 1.397 ( 3.092 -0.000 20.607) 20.838 2.237 ( 15.746 -0.000 16.100) 22.520 2.306 ( -0.121 0.000 -0.658) 0.669 2.720 ( 0.865 -0.000 6.748) 6.803 2.993 ( -4.032 0.000 -6.503) 7.651 4.059 ( 14.549 -0.000 2.868) 14.829 4.386 ( 2.032 -0.000 0.579) 2.113 4.544 ( -0.693 0.000 0.290) 0.751 6.042 ( 5.527 -0.000 -7.936) 9.671 7.591 ( -13.386 0.000 -2.362) 13.593 7.821 ( -3.985 0.000 4.136) 5.744 25.660 ( -4.267 0.000 39.574) 39.804 27.388 ( 3.181 -0.000 7.454) 8.104 28.531 ( 8.908 -0.000 -7.985) 11.964 31.837 ( -4.011 0.000 -43.082) 43.268 96.706 ( -10.327 0.000 13.451) 16.958 97.966 ( -1.308 0.000 -8.487) 8.588======================= Grid point 540 (156/343) =======================q-point: ( 0.15 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( 8.769 4.255 11.380) 14.983 1.506 ( 5.704 -6.830 15.811) 18.143 2.287 ( -1.643 0.422 -1.656) 2.371 2.531 ( 14.558 -0.907 11.193) 18.386 2.733 ( 1.368 2.289 5.711) 6.303 2.905 ( -5.160 -0.252 -4.928) 7.139 4.326 ( 11.011 0.552 -2.254) 11.253 4.460 ( 8.318 -0.062 1.782) 8.507 4.502 ( -3.886 -1.145 0.962) 4.164 6.145 ( 6.748 3.569 -10.989) 13.380 7.304 ( -13.582 5.051 -2.110) 14.644 7.770 ( -5.991 -8.151 0.551) 10.131 25.586 ( -3.372 0.392 39.948) 40.092 27.458 ( 4.129 -0.234 9.330) 10.205 28.694 ( 8.532 0.349 -6.863) 10.955 31.748 ( -5.231 0.502 -42.215) 42.541 96.529 ( -7.697 1.458 16.333) 18.115 97.944 ( -1.487 -1.137 -8.073) 8.288======================= Grid point 541 (157/343) =======================q-point: ( 0.23 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( 10.925 2.841 7.137) 13.355 1.684 ( 7.147 -7.796 9.769) 14.398 2.248 ( -1.914 0.418 -1.721) 2.607 2.693 ( 1.449 5.943 3.226) 6.916 2.767 ( 1.420 0.457 2.124) 2.595 2.859 ( 3.705 -3.835 3.045) 6.140 4.379 ( -2.724 1.877 -0.343) 3.326 4.462 ( 0.109 -2.797 -1.604) 3.227 4.716 ( 15.262 -0.254 -3.568) 15.676 6.230 ( 5.736 5.823 -15.341) 17.383 7.047 ( -10.944 1.651 -0.202) 11.069 7.709 ( -6.297 -7.103 -2.094) 9.720 25.532 ( -2.205 0.355 39.765) 39.828 27.540 ( 4.271 -0.446 11.329) 12.116 28.834 ( 6.739 0.631 -5.123) 8.489 31.642 ( -5.448 0.884 -41.234) 41.601 96.404 ( -4.722 1.456 17.006) 17.709 97.928 ( -1.238 -1.281 -7.667) 7.872======================= Grid point 542 (158/343) =======================q-point: ( 0.31 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 9.917 0.825 4.152) 10.783 1.857 ( 5.591 -5.123 4.595) 8.867 2.223 ( -0.410 -0.829 -0.780) 1.210 2.622 ( -4.012 3.327 -2.116) 5.625 2.740 ( -0.598 2.659 6.021) 6.609 3.011 ( 6.172 -2.731 1.809) 6.988 4.295 ( -4.145 0.321 -1.614) 4.460 4.501 ( 1.697 -1.116 -2.742) 3.413 4.970 ( 11.251 -0.245 -8.234) 13.944 6.256 ( 0.974 5.394 -21.280) 21.975 6.896 ( -4.526 -0.710 4.339) 6.310 7.648 ( -4.620 -4.698 -3.586) 7.501 25.498 ( -1.221 0.191 39.518) 39.538 27.616 ( 3.386 -0.484 12.998) 13.441 28.931 ( 4.149 0.647 -3.736) 5.621 31.542 ( -4.392 0.883 -40.339) 40.587 96.327 ( -2.654 1.026 16.791) 17.031 97.918 ( -0.612 -0.976 -7.349) 7.438======================= Grid point 543 (159/343) =======================q-point: ( 0.38 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( 6.408 -0.102 2.343) 6.824 1.936 ( 0.657 -0.214 1.058) 1.264 2.258 ( 1.916 -3.527 0.606) 4.060 2.527 ( -3.494 1.552 -0.853) 3.917 2.712 ( -0.080 3.647 6.420) 7.384 3.101 ( 1.674 -2.042 -1.191) 2.897 4.240 ( -1.508 0.015 -3.102) 3.449 4.534 ( 1.340 -0.013 -3.799) 4.028 5.119 ( 4.277 -0.139 -11.116) 11.911 6.193 ( -4.819 0.649 -23.883) 24.373 6.882 ( 2.466 1.118 6.735) 7.259 7.618 ( -0.874 -2.130 -4.083) 4.688 25.482 ( -0.462 0.027 39.375) 39.377 27.666 ( 1.531 -0.252 13.949) 14.035 28.977 ( 1.137 0.356 -3.079) 3.302 31.475 ( -2.152 0.386 -39.780) 39.840 96.287 ( -1.255 0.398 16.444) 16.497 97.919 ( 0.198 -0.403 -7.272) 7.285======================= Grid point 544 (160/343) =======================q-point: (-0.54 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( -4.123 1.504 0.763) 4.454 1.955 ( 3.222 1.205 1.225) 3.652 2.282 ( -2.973 -2.598 0.402) 3.969 2.514 ( 3.228 0.143 0.523) 3.273 2.679 ( -1.014 2.699 6.126) 6.770 3.110 ( -1.872 -1.629 -1.559) 2.931 4.241 ( 1.574 0.086 -3.156) 3.527 4.550 ( 0.784 1.032 -4.718) 4.892 5.123 ( -3.837 0.115 -11.528) 12.151 6.089 ( -7.898 -5.540 -23.107) 25.040 6.943 ( 5.869 4.570 6.418) 9.825 7.656 ( 4.250 0.263 -3.808) 5.712 25.480 ( 0.152 -0.130 39.315) 39.315 27.673 ( -0.822 0.193 13.943) 13.968 28.968 ( -1.928 -0.160 -3.140) 3.688 31.461 ( 0.708 -0.477 -39.752) 39.761 96.274 ( -0.095 -0.398 16.261) 16.266 97.931 ( 1.049 0.347 -7.538) 7.618======================= Grid point 545 (161/343) =======================q-point: (-0.46 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( -8.067 3.432 1.455) 8.886 1.980 ( 0.391 2.918 2.509) 3.869 2.221 ( -3.836 -1.794 -0.092) 4.235 2.579 ( 1.318 1.083 -0.566) 1.797 2.663 ( 1.813 -1.465 6.176) 6.601 3.055 ( -4.831 -0.265 1.279) 5.005 4.290 ( 3.469 0.033 -1.871) 3.941 4.549 ( 0.422 1.978 -4.877) 5.280 4.982 ( -10.825 0.474 -9.253) 14.249 5.985 ( -9.707 -11.110 -21.727) 26.263 7.027 ( 7.668 6.935 5.849) 11.879 7.768 ( 8.704 2.799 -3.001) 9.623 25.490 ( 0.754 -0.360 39.318) 39.327 27.634 ( -2.922 0.647 12.983) 13.323 28.909 ( -4.718 -0.703 -3.794) 6.095 31.506 ( 3.313 -1.385 -40.314) 40.474 96.290 ( 1.141 -1.355 16.327) 16.423 97.953 ( 1.865 1.191 -8.159) 8.453======================= Grid point 546 (162/343) =======================q-point: (-0.38 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( -10.046 4.464 3.515) 11.542 1.908 ( -4.108 6.814 6.398) 10.210 2.201 ( -0.242 -3.447 -2.152) 4.071 2.554 ( -2.856 -2.221 2.422) 4.354 2.740 ( 3.046 -1.040 2.901) 4.333 2.942 ( -5.999 1.735 5.099) 8.062 4.348 ( 1.928 -0.139 -1.467) 2.426 4.541 ( 0.441 2.276 -2.832) 3.660 4.735 ( -14.117 1.134 -5.045) 15.034 5.892 ( -10.505 -15.278 -19.881) 27.185 7.129 ( 8.705 6.876 5.884) 12.557 7.926 ( 11.383 5.885 -2.022) 12.973 25.514 ( 1.475 -0.764 39.421) 39.456 27.561 ( -4.126 0.899 11.322) 12.083 28.806 ( -6.944 -1.045 -4.924) 8.577 31.597 ( 4.901 -1.996 -41.345) 41.682 96.339 ( 2.694 -2.568 16.548) 16.961 97.983 ( 2.583 2.078 -9.058) 9.646======================= Grid point 547 (163/343) =======================q-point: (-0.31 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.317 ( -9.328 3.921 7.814) 12.784 1.753 ( -6.136 8.208 10.171) 14.438 2.240 ( 1.144 -3.320 -2.618) 4.381 2.516 ( -4.237 -4.038 5.844) 8.271 2.693 ( -6.690 3.142 6.897) 10.109 2.901 ( 2.426 -0.550 1.894) 3.127 4.304 ( -9.801 -0.369 -3.310) 10.351 4.466 ( -6.593 0.335 1.991) 6.895 4.575 ( 0.722 3.235 -1.306) 3.562 5.823 ( -9.502 -17.334 -16.662) 25.853 7.249 ( 8.395 4.181 6.868) 11.624 8.093 ( 12.362 9.554 -1.388) 15.685 25.557 ( 2.356 -1.409 39.609) 39.704 27.475 ( -4.199 0.882 9.353) 10.290 28.671 ( -8.308 -1.020 -6.300) 10.476 31.707 ( 5.137 -2.131 -42.554) 42.916 96.431 ( 4.690 -4.329 16.516) 17.706 98.017 ( 3.064 3.046 -10.105) 10.990======================= Grid point 548 (164/343) =======================q-point: (-0.23 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( -4.660 0.745 14.348) 15.104 1.577 ( -6.624 7.107 13.792) 16.871 2.272 ( -0.287 -2.221 -1.029) 2.465 2.390 ( -8.562 7.222 15.651) 19.246 2.604 ( -2.225 -5.287 3.618) 6.782 2.964 ( 2.874 -1.470 -1.078) 3.404 4.047 ( -14.678 -0.663 2.281) 14.869 4.404 ( -1.377 1.256 -0.634) 1.969 4.565 ( -0.800 1.318 -0.114) 1.546 5.795 ( -6.642 -16.607 -11.602) 21.320 7.377 ( 6.630 -0.828 8.475) 10.792 8.232 ( 11.222 13.715 -1.532) 17.787 25.622 ( 3.147 -2.271 39.593) 39.783 27.399 ( -3.298 0.681 7.503) 8.224 28.520 ( -8.328 -0.556 -7.365) 11.131 31.810 ( 4.126 -1.825 -43.593) 43.826 96.577 ( 6.617 -6.965 15.256) 18.029 98.049 ( 3.006 4.196 -11.127) 12.266======================= Grid point 549 (165/343) =======================q-point: (-0.15 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 2.376 -3.996 19.753) 20.293 1.414 ( -6.438 3.909 16.928) 18.528 2.152 ( -6.945 13.940 20.641) 25.857 2.273 ( -1.434 -2.027 1.729) 3.026 2.637 ( 0.132 -6.561 3.459) 7.418 3.021 ( 1.704 -2.127 -3.284) 4.268 3.826 ( -8.933 -0.853 5.690) 10.626 4.377 ( -0.578 1.424 -1.026) 1.848 4.528 ( -2.297 -0.235 -1.225) 2.614 5.814 ( -3.168 -13.499 -6.509) 15.317 7.504 ( 3.778 -7.457 9.482) 12.641 8.292 ( 6.973 18.029 -2.168) 19.452 25.700 ( 2.829 -3.015 38.848) 39.067 27.347 ( -1.774 0.446 6.174) 6.439 28.384 ( -5.902 0.164 -7.408) 9.473 31.881 ( 2.247 -1.286 -44.177) 44.252 96.764 ( 6.127 -9.789 11.664) 16.413 98.061 ( 1.923 5.389 -11.714) 13.037======================= Grid point 550 (166/343) =======================q-point: (-0.08 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( -0.000 -8.435 22.416) 23.951 1.298 ( 0.000 2.586 17.709) 17.897 1.967 ( 0.000 15.216 23.614) 28.092 2.271 ( -0.000 -1.599 2.549) 3.009 2.682 ( -0.000 -4.648 4.630) 6.560 3.053 ( -0.000 -2.163 -5.143) 5.579 3.747 ( -0.000 -0.712 6.780) 6.817 4.361 ( 0.000 1.194 -0.689) 1.378 4.506 ( -0.000 -0.626 -1.663) 1.777 5.868 ( -0.000 -9.224 -4.157) 10.118 7.620 ( -0.000 -14.064 8.268) 16.314 8.215 ( 0.000 21.351 -1.780) 21.425 25.752 ( -0.000 -2.712 37.870) 37.967 27.328 ( 0.000 0.277 5.673) 5.680 28.322 ( 0.000 0.420 -6.963) 6.976 31.909 ( -0.000 -0.784 -44.183) 44.190 96.903 ( -0.000 -9.611 7.631) 12.272 98.039 ( 0.000 5.431 -10.951) 12.223======================= Grid point 553 (167/343) =======================q-point: ( 0.15 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 11.209 -0.000 5.393) 12.439 1.598 ( 7.286 -0.000 12.719) 14.658 2.251 ( -2.182 0.000 -1.593) 2.701 2.762 ( 3.889 -0.000 3.017) 4.922 2.763 ( 0.917 -0.000 6.120) 6.188 2.813 ( 1.808 -0.000 -1.333) 2.246 4.401 ( -5.796 0.000 0.166) 5.798 4.433 ( 3.286 -0.000 -1.586) 3.648 4.714 ( 15.309 -0.000 -3.545) 15.714 6.270 ( 4.913 -0.000 -13.124) 14.013 7.068 ( -12.270 0.000 -3.246) 12.692 7.651 ( -4.387 0.000 -1.363) 4.594 25.534 ( -2.325 0.000 39.813) 39.881 27.536 ( 4.292 -0.000 11.329) 12.115 28.839 ( 6.696 -0.000 -5.170) 8.460 31.648 ( -5.522 0.000 -41.211) 41.580 96.415 ( -5.099 0.000 17.061) 17.806 97.918 ( -0.962 0.000 -7.423) 7.485======================= Grid point 554 (168/343) =======================q-point: ( 0.23 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 8.837 2.879 6.064) 11.097 1.785 ( 8.745 -4.467 4.055) 10.624 2.214 ( -1.658 -0.366 -0.805) 1.879 2.661 ( -6.053 1.592 -2.688) 6.812 2.771 ( 0.535 1.431 5.989) 6.180 2.975 ( 6.930 -1.677 1.559) 7.299 4.299 ( -4.613 0.159 -1.730) 4.929 4.490 ( 2.639 -0.372 -1.919) 3.284 4.968 ( 11.321 -0.070 -8.243) 14.004 6.300 ( -1.945 1.203 -17.988) 18.133 6.904 ( -3.849 0.944 0.757) 4.034 7.593 ( -2.693 -2.268 -3.316) 4.837 25.500 ( -1.350 0.065 39.571) 39.594 27.611 ( 3.501 -0.179 12.998) 13.462 28.938 ( 3.993 0.250 -3.732) 5.471 31.551 ( -4.659 0.315 -40.342) 40.612 96.338 ( -3.095 0.383 16.906) 17.191 97.908 ( -0.227 -0.371 -7.113) 7.127======================= Grid point 555 (169/343) =======================q-point: ( 0.31 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 5.581 0.293 3.391) 6.537 1.935 ( 4.804 0.037 0.832) 4.875 2.208 ( 0.106 -2.846 0.767) 2.950 2.549 ( -4.302 1.263 -0.974) 4.588 2.765 ( 0.602 3.274 5.979) 6.843 3.066 ( 1.410 -2.326 -1.827) 3.277 4.240 ( -1.510 0.034 -3.226) 3.562 4.535 ( 2.141 0.193 -3.312) 3.948 5.117 ( 4.395 -0.060 -11.331) 12.154 6.188 ( -8.977 -0.849 -20.429) 22.330 6.911 ( 4.726 2.198 3.562) 6.313 7.588 ( 0.749 -1.795 -3.965) 4.417 25.482 ( -0.572 -0.001 39.401) 39.405 27.662 ( 1.771 -0.158 13.938) 14.051 28.981 ( 0.862 0.243 -3.054) 3.183 31.479 ( -2.644 0.212 -39.790) 39.878 96.291 ( -1.739 0.235 16.505) 16.598 97.915 ( 0.654 -0.248 -7.160) 7.194======================= Grid point 556 (170/343) =======================q-point: ( 0.38 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( -1.301 1.299 0.542) 1.916 1.977 ( 2.347 1.936 0.976) 3.195 2.231 ( -1.871 -3.947 1.188) 4.527 2.514 ( 1.631 -0.056 1.514) 2.226 2.740 ( -0.317 5.118 4.983) 7.150 3.074 ( -2.356 -3.245 -2.781) 4.880 4.242 ( 1.647 0.109 -3.328) 3.715 4.565 ( 1.479 0.995 -4.996) 5.305 5.124 ( -3.649 0.065 -12.226) 12.759 6.013 ( -11.482 -4.582 -19.801) 23.344 7.010 ( 7.763 4.178 4.101) 9.724 7.654 ( 5.547 -0.406 -3.519) 6.582 25.478 ( 0.026 -0.123 39.297) 39.297 27.675 ( -0.516 0.108 13.922) 13.932 28.967 ( -2.263 -0.039 -3.159) 3.886 31.455 ( 0.086 -0.350 -39.740) 39.742 96.269 ( -0.650 -0.267 16.181) 16.197 97.935 ( 1.551 0.214 -7.626) 7.786======================= Grid point 557 (171/343) =======================q-point: (-0.54 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( -6.196 4.495 0.523) 7.673 2.007 ( 1.436 0.707 1.028) 1.902 2.187 ( -4.478 -2.366 1.097) 5.182 2.581 ( 2.608 -1.269 3.927) 4.882 2.686 ( -0.171 4.804 1.904) 5.171 3.035 ( -4.183 -2.652 0.245) 4.959 4.292 ( 3.517 0.184 -2.091) 4.096 4.576 ( 0.780 1.662 -5.907) 6.186 4.988 ( -10.523 0.370 -10.657) 14.982 5.837 ( -12.726 -9.040 -19.031) 24.614 7.125 ( 8.598 6.231 4.748) 11.632 7.797 ( 9.930 1.279 -2.391) 10.294 25.485 ( 0.535 -0.331 39.218) 39.223 27.642 ( -2.673 0.502 12.961) 13.244 28.901 ( -4.992 -0.471 -3.843) 6.317 31.487 ( 2.737 -1.173 -40.295) 40.405 96.272 ( 0.468 -1.059 16.081) 16.122 97.968 ( 2.383 0.888 -8.516) 8.888======================= Grid point 558 (172/343) =======================q-point: (-0.46 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( -8.281 6.525 1.794) 10.695 1.992 ( -2.233 4.508 4.235) 6.576 2.139 ( -2.142 -4.730 -1.375) 5.371 2.543 ( -4.680 0.304 3.692) 5.969 2.732 ( 4.535 0.280 1.327) 4.733 2.956 ( -5.074 0.123 5.013) 7.134 4.352 ( 2.450 0.561 -1.589) 2.974 4.568 ( -1.056 1.305 -3.340) 3.738 4.754 ( -12.615 1.324 -7.678) 14.827 5.677 ( -13.204 -13.885 -18.614) 26.714 7.237 ( 8.677 7.455 6.031) 12.933 7.992 ( 12.596 3.336 -1.055) 13.073 25.503 ( 1.075 -0.727 39.193) 39.215 27.574 ( -4.027 0.815 11.312) 12.035 28.793 ( -7.020 -0.822 -4.882) 8.591 31.568 ( 4.521 -1.936 -41.388) 41.679 96.304 ( 1.750 -2.181 16.207) 16.447 98.010 ( 3.097 1.661 -9.753) 10.367======================= Grid point 559 (173/343) =======================q-point: (-0.38 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( -8.251 7.883 4.631) 12.315 1.863 ( -6.417 6.877 7.798) 12.218 2.175 ( 0.931 -5.722 -2.961) 6.509 2.459 ( -5.170 -3.410 3.838) 7.286 2.750 ( -3.131 4.065 7.153) 8.803 2.897 ( 1.004 0.125 3.814) 3.946 4.305 ( -10.337 0.523 -3.783) 11.020 4.471 ( -4.903 0.259 2.368) 5.451 4.621 ( -0.464 3.078 -3.768) 4.887 5.560 ( -11.535 -18.250 -17.280) 27.654 7.337 ( 7.839 7.339 8.003) 13.392 8.204 ( 13.400 5.730 -0.174) 14.575 25.537 ( 1.702 -1.417 39.275) 39.338 27.489 ( -4.249 0.910 9.370) 10.329 28.657 ( -8.074 -0.852 -6.047) 10.124 31.674 ( 4.996 -2.374 -42.747) 43.103 96.371 ( 3.181 -3.857 16.354) 17.101 98.058 ( 3.596 2.476 -11.212) 12.032======================= Grid point 560 (174/343) =======================q-point: (-0.31 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -5.141 6.965 9.690) 12.994 1.676 ( -8.109 6.609 10.995) 15.176 2.226 ( 0.004 -4.170 -1.678) 4.495 2.411 ( -3.292 -5.111 5.726) 8.352 2.614 ( -5.005 7.393 11.929) 14.900 2.946 ( 2.674 -0.876 0.601) 2.877 4.039 ( -14.985 -0.500 1.756) 15.096 4.426 ( -0.792 1.800 -1.270) 2.341 4.586 ( -2.209 1.555 -0.779) 2.811 5.523 ( -7.280 -20.117 -13.009) 25.039 7.418 ( 5.929 5.717 10.290) 13.181 8.392 ( 11.988 8.412 -0.382) 14.650 25.587 ( 2.241 -2.447 39.374) 39.514 27.410 ( -3.413 0.803 7.555) 8.329 28.513 ( -7.750 -0.418 -6.961) 10.426 31.779 ( 4.159 -2.398 -43.986) 44.247 96.478 ( 4.353 -6.442 15.976) 17.767 98.105 ( 3.592 3.372 -12.746) 13.665======================= Grid point 561 (175/343) =======================q-point: (-0.23 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 0.561 2.549 15.316) 15.537 1.481 ( -7.679 5.372 14.401) 17.182 2.231 ( -1.752 -3.455 1.883) 4.307 2.352 ( -2.687 10.536 16.328) 19.617 2.538 ( -0.817 -4.635 3.799) 6.048 2.994 ( 1.522 -1.360 -0.867) 2.218 3.812 ( -9.235 -1.121 5.416) 10.765 4.402 ( -0.277 2.066 -2.077) 2.943 4.524 ( -3.392 -0.350 -1.419) 3.693 5.572 ( -3.090 -19.096 -7.636) 20.796 7.474 ( 3.212 2.463 12.058) 12.719 8.507 ( 7.473 11.553 -1.691) 13.863 25.651 ( 2.003 -3.613 39.166) 39.384 27.355 ( -1.858 0.622 6.247) 6.547 28.388 ( -5.269 0.355 -7.178) 8.912 31.856 ( 2.325 -2.096 -44.744) 44.853 96.618 ( 3.912 -9.763 14.372) 17.809 98.135 ( 2.483 4.447 -14.007) 14.904======================= Grid point 562 (176/343) =======================q-point: (-0.15 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( -0.000 -3.424 18.707) 19.017 1.352 ( 0.000 4.852 16.647) 17.339 2.211 ( 0.000 17.227 21.147) 27.276 2.236 ( -0.000 -3.171 3.146) 4.466 2.588 ( -0.000 -7.817 1.772) 8.015 3.021 ( -0.000 -1.998 -2.067) 2.874 3.732 ( -0.000 -1.255 6.675) 6.792 4.385 ( 0.000 2.016 -1.756) 2.673 4.493 ( -0.000 -1.112 -1.822) 2.134 5.675 ( -0.000 -16.847 -5.125) 17.609 7.503 ( -0.000 -2.288 12.140) 12.354 8.482 ( 0.000 15.173 -2.804) 15.430 25.701 ( -0.000 -4.073 38.679) 38.893 27.333 ( 0.000 0.492 5.742) 5.763 28.331 ( 0.000 0.743 -6.971) 7.010 31.892 ( -0.000 -1.663 -44.791) 44.822 96.740 ( -0.000 -11.838 12.030) 16.878 98.123 ( 0.000 5.535 -13.922) 14.982======================= Grid point 567 (177/343) =======================q-point: ( 0.23 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( 4.744 -0.000 3.914) 6.150 1.935 ( 7.305 -0.000 0.658) 7.335 2.186 ( -0.999 0.000 0.798) 1.279 2.559 ( -4.722 0.000 -1.055) 4.838 2.792 ( 1.082 -0.000 6.080) 6.175 3.047 ( 1.183 -0.000 -2.373) 2.651 4.240 ( -1.510 0.000 -3.292) 3.622 4.537 ( 2.428 -0.000 -3.107) 3.943 5.117 ( 4.432 -0.000 -11.456) 12.283 6.180 ( -10.164 0.000 -18.799) 21.371 6.929 ( 5.111 -0.000 2.055) 5.509 7.574 ( 1.468 -0.000 -3.863) 4.132 25.482 ( -0.613 0.000 39.411) 39.416 27.661 ( 1.857 -0.000 13.933) 14.056 28.983 ( 0.763 -0.000 -3.045) 3.139 31.481 ( -2.821 0.000 -39.793) 39.893 96.293 ( -1.917 0.000 16.527) 16.638 97.913 ( 0.822 -0.000 -7.117) 7.164======================= Grid point 568 (178/343) =======================q-point: ( 0.31 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 1.068 0.464 0.654) 1.336 2.005 ( 0.691 1.425 0.166) 1.593 2.182 ( -0.778 -2.246 2.310) 3.315 2.513 ( 0.359 -0.006 1.591) 1.631 2.806 ( 1.321 3.203 5.813) 6.767 3.028 ( -3.547 -2.409 -4.882) 6.497 4.243 ( 1.697 0.053 -3.458) 3.852 4.576 ( 1.788 0.408 -5.156) 5.473 5.125 ( -3.558 0.024 -12.790) 13.276 5.966 ( -12.999 -1.752 -17.560) 21.918 7.054 ( 8.318 1.680 2.670) 8.897 7.648 ( 6.336 -0.287 -3.299) 7.149 25.477 ( -0.045 -0.050 39.289) 39.289 27.676 ( -0.342 0.033 13.906) 13.911 28.967 ( -2.451 0.001 -3.167) 4.005 31.451 ( -0.266 -0.128 -39.733) 39.734 96.267 ( -0.958 -0.093 16.136) 16.165 97.937 ( 1.829 0.071 -7.670) 7.886======================= Grid point 569 (179/343) =======================q-point: (-0.62 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( -3.954 4.677 -0.214) 6.128 1.995 ( -0.839 -2.333 -0.389) 2.510 2.163 ( -2.710 -0.906 2.804) 4.003 2.560 ( 2.767 -1.217 5.154) 5.975 2.776 ( -0.508 6.945 1.422) 7.107 2.979 ( -3.986 -4.877 -1.695) 6.523 4.294 ( 3.638 0.160 -2.223) 4.267 4.595 ( 0.741 0.910 -6.824) 6.924 4.992 ( -10.300 0.188 -12.191) 15.961 5.734 ( -14.486 -4.966 -16.237) 22.319 7.199 ( 9.095 3.655 3.890) 10.545 7.807 ( 10.622 0.342 -1.899) 10.795 25.481 ( 0.388 -0.200 39.149) 39.152 27.648 ( -2.492 0.269 12.941) 13.181 28.896 ( -5.180 -0.221 -3.882) 6.477 31.474 ( 2.322 -0.672 -40.280) 40.352 96.260 ( 0.025 -0.575 15.904) 15.914 97.978 ( 2.708 0.465 -8.748) 9.170======================= Grid point 570 (180/343) =======================q-point: (-0.54 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( -6.311 7.272 0.518) 9.642 2.009 ( -0.496 -3.585 -0.631) 3.674 2.098 ( -4.042 0.484 2.950) 5.027 2.550 ( -5.374 0.286 5.649) 7.802 2.756 ( 3.564 3.027 -1.365) 4.871 2.943 ( -2.968 -1.910 4.684) 5.865 4.362 ( 3.403 0.813 -1.064) 3.657 4.579 ( -3.081 0.310 -4.348) 5.338 4.771 ( -11.123 0.991 -11.382) 15.945 5.506 ( -15.416 -9.387 -15.666) 23.899 7.333 ( 8.900 5.578 5.762) 11.980 8.025 ( 13.140 1.371 -0.117) 13.211 25.494 ( 0.771 -0.522 38.997) 39.009 27.584 ( -3.940 0.559 11.300) 11.980 28.783 ( -7.064 -0.492 -4.884) 8.602 31.543 ( 4.187 -1.404 -41.412) 41.647 96.277 ( 1.096 -1.430 15.906) 16.007 98.030 ( 3.394 1.030 -10.254) 10.850======================= Grid point 571 (181/343) =======================q-point: (-0.46 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( -6.460 9.591 2.139) 11.760 1.949 ( -6.010 4.745 5.804) 9.608 2.082 ( 0.312 -6.631 -2.469) 7.082 2.419 ( -8.006 -2.266 3.599) 9.066 2.801 ( 1.253 2.873 4.316) 5.334 2.906 ( 0.067 1.108 5.954) 6.057 4.319 ( -11.593 1.436 -3.784) 12.279 4.472 ( -2.512 -0.161 2.783) 3.753 4.660 ( -1.109 2.281 -7.939) 8.335 5.315 ( -13.863 -14.965 -15.847) 25.832 7.444 ( 7.868 7.007 8.151) 13.321 8.262 ( 13.608 2.567 1.340) 13.912 25.518 ( 1.168 -1.125 38.918) 38.952 27.501 ( -4.290 0.735 9.384) 10.345 28.647 ( -7.831 -0.551 -5.912) 9.828 31.642 ( 4.827 -2.043 -42.892) 43.211 96.322 ( 2.145 -2.766 16.069) 16.446 98.087 ( 3.793 1.608 -12.021) 12.707======================= Grid point 572 (182/343) =======================q-point: (-0.38 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.352 ( -4.633 10.868 5.287) 12.944 1.769 ( -8.406 6.365 8.922) 13.812 2.148 ( 0.718 -6.608 -2.413) 7.072 2.316 ( -5.815 -6.787 3.627) 9.646 2.739 ( -2.051 8.517 12.635) 15.375 2.941 ( 2.820 0.225 1.322) 3.123 4.034 ( -15.493 -0.057 1.233) 15.542 4.455 ( 0.005 2.225 -1.361) 2.609 4.610 ( -3.624 1.636 -2.191) 4.540 5.235 ( -7.759 -19.151 -13.648) 24.764 7.520 ( 5.875 7.649 10.673) 14.385 8.479 ( 11.841 3.833 1.704) 12.562 25.554 ( 1.480 -2.078 38.965) 39.048 27.421 ( -3.528 0.741 7.609) 8.420 28.508 ( -7.179 -0.199 -6.705) 9.825 31.743 ( 4.135 -2.411 -44.309) 44.566 96.396 ( 2.831 -4.796 16.120) 17.055 98.144 ( 3.661 2.114 -13.844) 14.475======================= Grid point 573 (183/343) =======================q-point: (-0.31 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( -0.727 9.055 9.421) 13.088 1.568 ( -7.537 6.585 12.471) 15.990 2.170 ( -2.273 -4.936 2.502) 5.983 2.327 ( -0.213 -9.359 0.727) 9.389 2.629 ( -1.367 12.355 15.592) 19.940 2.984 ( 1.696 -0.002 -0.246) 1.714 3.796 ( -9.728 -1.035 5.049) 11.009 4.436 ( -0.051 2.603 -2.872) 3.876 4.518 ( -4.683 -0.361 -1.670) 4.985 5.287 ( -2.548 -19.642 -8.626) 21.604 7.550 ( 3.113 7.204 12.672) 14.905 8.628 ( 7.278 5.501 0.690) 9.150 25.600 ( 1.288 -3.248 39.030) 39.186 27.364 ( -1.950 0.654 6.335) 6.661 28.394 ( -4.646 0.486 -7.020) 8.432 31.822 ( 2.361 -2.483 -45.242) 45.371 96.492 ( 2.411 -7.484 15.674) 17.536 98.186 ( 2.499 2.650 -15.367) 15.793======================= Grid point 574 (184/343) =======================q-point: (-0.23 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( 0.000 4.710 12.735) 13.578 1.436 ( 0.000 6.591 15.134) 16.507 2.179 ( -0.000 -4.668 4.087) 6.204 2.380 ( -0.000 -1.899 5.538) 5.854 2.531 ( 0.000 7.885 12.247) 14.566 3.002 ( -0.000 -0.543 -0.853) 1.011 3.712 ( -0.000 -1.501 6.529) 6.700 4.418 ( 0.000 2.549 -2.636) 3.667 4.475 ( -0.000 -1.348 -2.051) 2.454 5.406 ( -0.000 -19.449 -6.037) 20.365 7.532 ( 0.000 5.433 13.364) 14.427 8.650 ( 0.000 8.156 -0.911) 8.206 25.641 ( -0.000 -4.032 39.009) 39.217 27.342 ( 0.000 0.594 5.837) 5.868 28.343 ( 0.000 0.896 -6.982) 7.039 31.862 ( -0.000 -2.336 -45.398) 45.458 96.581 ( -0.000 -9.791 14.761) 17.713 98.189 ( 0.000 3.508 -15.735) 16.121======================= Grid point 581 (185/343) =======================q-point: (-0.69 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( -0.765 0.000 -0.726) 1.055 1.962 ( -4.766 0.000 -0.607) 4.804 2.158 ( -1.315 0.000 3.464) 3.705 2.551 ( 2.669 -0.000 5.190) 5.836 2.855 ( 2.030 -0.000 6.636) 6.939 2.917 ( -6.414 0.000 -7.508) 9.874 4.296 ( 3.695 -0.000 -2.264) 4.334 4.602 ( 0.660 -0.000 -7.221) 7.251 4.993 ( -10.224 0.000 -12.884) 16.448 5.697 ( -15.044 0.000 -15.004) 21.248 7.226 ( 9.248 -0.000 3.574) 9.915 7.809 ( 10.845 -0.000 -1.709) 10.979 25.479 ( 0.336 -0.000 39.124) 39.126 27.650 ( -2.426 0.000 12.932) 13.157 28.894 ( -5.247 0.000 -3.897) 6.536 31.469 ( 2.170 -0.000 -40.274) 40.332 96.256 ( -0.129 0.000 15.840) 15.840 97.981 ( 2.817 -0.000 -8.828) 9.267======================= Grid point 583 (186/343) =======================q-point: (-0.62 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( -4.713 7.110 -0.491) 8.545 1.926 ( -2.169 -6.603 -1.254) 7.062 2.117 ( -2.827 0.982 3.808) 4.843 2.550 ( -4.798 -0.095 6.514) 8.091 2.810 ( -0.077 3.619 -3.977) 5.378 2.904 ( 0.343 -2.881 5.596) 6.303 4.372 ( 4.368 0.410 -0.263) 4.395 4.580 ( -4.670 -0.074 -5.729) 7.391 4.781 ( -10.326 0.341 -14.281) 17.626 5.413 ( -16.629 -3.257 -12.810) 21.242 7.390 ( 9.098 2.070 5.540) 10.851 8.036 ( 13.306 0.306 0.452) 13.317 25.489 ( 0.610 -0.190 38.885) 38.890 27.589 ( -3.888 0.198 11.291) 11.943 28.778 ( -7.083 -0.160 -4.898) 8.613 31.529 ( 3.992 -0.512 -41.423) 41.618 96.263 ( 0.769 -0.495 15.730) 15.756 98.040 ( 3.520 0.345 -10.510) 11.090======================= Grid point 584 (187/343) =======================q-point: (-0.54 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( -4.629 9.366 0.329) 10.452 1.944 ( -1.829 -6.478 -0.466) 6.748 2.040 ( -3.702 1.877 3.483) 5.418 2.391 ( -10.854 -1.509 3.776) 11.591 2.835 ( 2.911 1.785 2.027) 3.971 2.921 ( 0.989 0.751 7.052) 7.161 4.343 ( -14.012 1.748 -3.081) 14.453 4.465 ( 1.185 -0.713 2.739) 3.068 4.685 ( -1.265 1.058 -13.977) 14.074 5.143 ( -16.260 -8.409 -12.060) 21.921 7.528 ( 8.085 4.231 8.032) 12.157 8.284 ( 13.462 0.722 2.541) 13.719 25.505 ( 0.831 -0.619 38.645) 38.659 27.509 ( -4.316 0.407 9.393) 10.345 28.641 ( -7.654 -0.255 -5.862) 9.644 31.618 ( 4.689 -1.180 -42.978) 43.250 96.292 ( 1.571 -1.423 15.818) 15.959 98.104 ( 3.815 0.765 -12.495) 13.087======================= Grid point 585 (188/343) =======================q-point: (-0.46 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.519 ( -3.435 11.852 2.052) 12.509 1.856 ( -7.291 5.158 7.153) 11.442 2.041 ( 0.541 -7.673 -2.245) 8.013 2.224 ( -9.137 -5.936 4.216) 11.683 2.843 ( 0.716 5.567 9.663) 11.175 2.951 ( 2.824 1.019 2.930) 4.195 4.037 ( -16.089 0.335 0.796) 16.112 4.490 ( 1.228 2.527 -0.239) 2.819 4.634 ( -4.532 1.881 -5.578) 7.429 4.983 ( -8.664 -15.235 -13.197) 21.939 7.623 ( 6.093 6.188 10.565) 13.676 8.512 ( 11.334 0.998 3.734) 11.975 25.529 ( 0.965 -1.367 38.531) 38.568 27.430 ( -3.618 0.517 7.652) 8.480 28.506 ( -6.742 -0.050 -6.584) 9.423 31.712 ( 4.085 -1.783 -44.529) 44.752 96.341 ( 1.974 -2.870 15.979) 16.354 98.167 ( 3.505 1.065 -14.479) 14.935======================= Grid point 586 (189/343) =======================q-point: (-0.38 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -1.116 12.477 4.524) 13.318 1.669 ( -6.813 7.322 10.758) 14.689 2.088 ( -2.349 -6.374 2.635) 7.286 2.176 ( -1.600 -10.840 0.103) 10.958 2.795 ( 0.352 9.895 13.531) 16.766 2.992 ( 2.050 1.040 0.179) 2.306 3.783 ( -10.380 -0.664 4.621) 11.381 4.478 ( -0.046 3.281 -3.372) 4.705 4.514 ( -5.779 -0.130 -1.939) 6.097 5.019 ( -1.691 -16.969 -9.755) 19.646 7.661 ( 3.236 7.550 12.560) 15.008 8.675 ( 6.785 1.426 3.509) 7.771 25.559 ( 0.794 -2.358 38.591) 38.671 27.373 ( -2.029 0.538 6.418) 6.752 28.401 ( -4.162 0.463 -6.940) 8.106 31.788 ( 2.362 -2.206 -45.607) 45.722 96.403 ( 1.565 -4.809 16.001) 16.781 98.214 ( 2.285 1.258 -16.055) 16.265======================= Grid point 587 (190/343) =======================q-point: (-0.31 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( 0.000 10.652 6.837) 12.658 1.540 ( 0.000 7.734 13.403) 15.475 2.102 ( -0.000 -6.022 5.304) 8.024 2.253 ( -0.000 -11.124 -2.030) 11.308 2.715 ( 0.000 12.826 15.487) 20.109 3.005 ( 0.000 0.900 -0.903) 1.275 3.691 ( -0.000 -1.400 6.379) 6.531 4.456 ( -0.000 -1.275 -2.302) 2.631 4.459 ( 0.000 3.144 -3.156) 4.454 5.132 ( -0.000 -17.945 -7.290) 19.369 7.634 ( 0.000 7.923 13.410) 15.576 8.727 ( 0.000 2.802 2.166) 3.542 25.588 ( -0.000 -3.189 38.763) 38.894 27.350 ( 0.000 0.560 5.939) 5.965 28.356 ( 0.000 0.843 -6.993) 7.044 31.827 ( -0.000 -2.430 -45.870) 45.934 96.461 ( -0.000 -6.713 15.802) 17.169 98.226 ( 0.000 1.703 -16.580) 16.668======================= Grid point 596 (191/343) =======================q-point: (-0.62 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( -3.943 0.000 -1.065) 4.084 1.859 ( -1.304 0.000 -0.420) 1.370 2.060 ( -3.834 0.000 4.173) 5.667 2.379 ( -12.198 0.000 3.876) 12.799 2.849 ( 2.861 -0.000 1.457) 3.210 2.927 ( 1.955 -0.000 7.128) 7.391 4.359 ( -16.489 0.000 -2.339) 16.654 4.458 ( 4.360 -0.000 2.298) 4.929 4.692 ( -1.264 0.000 -17.653) 17.698 5.081 ( -17.420 0.000 -9.274) 19.735 7.560 ( 8.199 -0.000 7.956) 11.425 8.289 ( 13.358 -0.000 2.999) 13.690 25.501 ( 0.717 -0.000 38.544) 38.550 27.512 ( -4.324 0.000 9.396) 10.343 28.639 ( -7.589 0.000 -5.852) 9.584 31.609 ( 4.637 -0.000 -43.007) 43.256 96.282 ( 1.390 -0.000 15.720) 15.781 98.110 ( 3.804 -0.000 -12.650) 13.209======================= Grid point 598 (192/343) =======================q-point: (-0.54 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( -2.196 9.159 -0.280) 9.422 1.868 ( -1.480 -4.964 1.583) 5.416 1.978 ( -3.901 0.675 3.368) 5.197 2.151 ( -12.251 -3.533 4.721) 13.596 2.896 ( 2.420 1.808 6.025) 6.739 2.965 ( 2.580 0.652 5.615) 6.213 4.042 ( -16.533 0.235 0.555) 16.544 4.522 ( 2.652 1.519 3.060) 4.325 4.668 ( -2.721 2.774 -14.075) 14.602 4.808 ( -12.074 -8.268 -9.160) 17.264 7.687 ( 6.308 2.382 10.387) 12.384 8.517 ( 10.926 0.039 4.982) 12.008 25.516 ( 0.712 -0.474 38.259) 38.268 27.436 ( -3.666 0.185 7.676) 8.509 28.506 ( -6.510 -0.002 -6.541) 9.228 31.694 ( 4.048 -0.656 -44.641) 44.829 96.313 ( 1.601 -0.949 15.835) 15.944 98.176 ( 3.368 0.314 -14.764) 15.147======================= Grid point 599 (193/343) =======================q-point: (-0.46 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( -0.836 12.482 1.119) 12.560 1.776 ( -5.507 7.206 9.155) 12.886 1.982 ( -0.894 -8.424 0.168) 8.473 2.026 ( -5.134 -9.241 4.158) 11.360 2.905 ( 1.278 5.109 9.818) 11.142 3.010 ( 2.498 1.149 2.023) 3.414 3.777 ( -11.011 -0.251 4.219) 11.794 4.507 ( -6.085 0.086 -2.335) 6.518 4.542 ( -0.639 4.769 -2.833) 5.584 4.804 ( -0.799 -12.575 -11.364) 16.968 7.753 ( 3.417 4.770 12.259) 13.591 8.681 ( 6.318 -0.229 5.716) 8.523 25.533 ( 0.517 -1.225 38.163) 38.186 27.379 ( -2.081 0.303 6.476) 6.809 28.407 ( -3.867 0.280 -6.909) 7.922 31.762 ( 2.352 -1.293 -45.831) 45.910 96.352 ( 1.158 -2.314 15.957) 16.165 98.226 ( 2.081 0.452 -16.370) 16.508======================= Grid point 600 (194/343) =======================q-point: (-0.38 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( 0.000 12.960 2.532) 13.205 1.657 ( 0.000 8.300 11.616) 14.277 2.006 ( -0.000 -7.141 6.729) 9.812 2.085 ( -0.000 -11.880 -2.538) 12.148 2.869 ( 0.000 8.174 12.206) 14.690 3.024 ( 0.000 1.693 -0.326) 1.724 3.673 ( -0.000 -0.985 6.258) 6.335 4.440 ( -0.000 -0.908 -2.515) 2.674 4.512 ( 0.000 4.258 -3.155) 5.299 4.897 ( -0.000 -14.347 -8.903) 16.885 7.743 ( 0.000 6.620 13.095) 14.673 8.743 ( -0.000 -0.037 5.052) 5.052 25.550 ( -0.000 -2.000 38.292) 38.344 27.357 ( 0.000 0.397 6.022) 6.035 28.366 ( 0.000 0.597 -7.002) 7.028 31.795 ( -0.000 -1.823 -46.190) 46.226 96.386 ( -0.000 -3.804 15.993) 16.439 98.242 ( 0.000 0.638 -16.943) 16.955======================= Grid point 611 (195/343) =======================q-point: (-0.54 0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( -0.463 0.000 -0.811) 0.934 1.838 ( 0.255 -0.000 4.133) 4.141 1.914 ( -3.167 0.000 3.184) 4.491 1.922 ( -9.125 0.000 7.056) 11.535 2.942 ( 1.455 -0.000 7.330) 7.473 3.019 ( 2.802 -0.000 3.846) 4.758 3.775 ( -11.286 0.000 4.042) 11.988 4.507 ( -6.832 0.000 -2.302) 7.210 4.610 ( -0.588 0.000 4.604) 4.641 4.680 ( -0.063 0.000 -19.398) 19.399 7.789 ( 3.504 -0.000 12.100) 12.597 8.678 ( 6.126 -0.000 6.560) 8.975 25.524 ( 0.428 -0.000 37.992) 37.994 27.381 ( -2.099 0.000 6.496) 6.827 28.409 ( -3.768 0.000 -6.902) 7.863 31.752 ( 2.346 -0.000 -45.907) 45.967 96.335 ( 1.039 -0.000 15.905) 15.939 98.229 ( 2.002 -0.000 -16.461) 16.583======================= Grid point 613 (196/343) =======================q-point: (-0.46 0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 0.000 10.333 -0.187) 10.334 1.778 ( 0.000 8.301 9.820) 12.858 1.897 ( -0.000 -7.893 8.343) 11.485 1.921 ( -0.000 -9.719 -1.919) 9.907 2.946 ( 0.000 2.526 8.600) 8.964 3.047 ( 0.000 1.075 1.616) 1.941 3.663 ( -0.000 -0.354 6.192) 6.202 4.431 ( -0.000 -0.328 -2.638) 2.658 4.585 ( 0.000 5.748 -0.217) 5.752 4.723 ( -0.000 -9.352 -12.836) 15.881 7.813 ( 0.000 2.594 12.784) 13.044 8.738 ( -0.000 -0.398 6.804) 6.815 25.531 ( -0.000 -0.678 37.956) 37.962 27.361 ( 0.000 0.143 6.069) 6.071 28.372 ( 0.000 0.215 -7.007) 7.010 31.777 ( -0.000 -0.675 -46.354) 46.359 96.350 ( -0.000 -1.223 15.951) 15.998 98.247 ( 0.000 0.145 -17.080) 17.081======================= Grid point 700 (197/343) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 343Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 0.000 0.000 15.048) 15.048 1.791 ( 0.000 0.000 20.482) 20.482 2.264 ( 0.000 0.000 18.257) 18.257 2.292 ( 0.000 0.000 -1.483) 1.483 2.833 ( 0.000 0.000 4.924) 4.924 2.918 ( 0.000 0.000 -8.223) 8.223 3.910 ( 0.000 0.000 8.745) 8.745 4.425 ( 0.000 0.000 7.955) 7.955 4.464 ( 0.000 0.000 -3.208) 3.208 5.783 ( 0.000 0.000 -11.846) 11.846 7.879 ( 0.000 0.000 1.773) 1.773 8.010 ( 0.000 0.000 3.739) 3.739 26.614 ( 0.000 0.000 46.667) 46.667 27.456 ( 0.000 0.000 7.360) 7.360 28.164 ( 0.000 0.000 -8.493) 8.493 30.949 ( 0.000 0.000 -52.396) 52.396 97.094 ( 0.000 0.000 6.482) 6.482 97.802 ( 0.000 0.000 -10.023) 10.023======================= Grid point 701 (198/343) =======================q-point: ( 0.08 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( -2.442 1.408 15.906) 16.154 1.777 ( 1.154 3.079 19.346) 19.624 2.286 ( -0.245 0.849 -1.512) 1.751 2.369 ( 7.104 -6.611 15.768) 18.515 2.795 ( -0.031 8.472 0.902) 8.520 2.932 ( -1.394 -5.910 -3.400) 6.960 3.973 ( 6.734 0.435 7.903) 10.392 4.427 ( 0.502 0.624 7.084) 7.130 4.486 ( 2.136 0.091 -3.117) 3.780 5.769 ( 0.549 5.077 -12.810) 13.790 7.769 ( -7.014 7.006 4.367) 10.833 8.027 ( -4.816 -12.187 0.990) 13.142 26.585 ( -2.515 0.971 46.912) 46.989 27.482 ( 2.763 -0.186 7.858) 8.332 28.222 ( 5.931 -0.112 -8.503) 10.368 30.931 ( -1.702 0.678 -52.226) 52.258 97.041 ( -4.224 2.533 8.309) 9.659 97.801 ( -0.613 -1.146 -10.178) 10.260======================= Grid point 702 (199/343) =======================q-point: ( 0.15 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( -0.044 4.146 15.986) 16.515 1.809 ( 2.466 -1.995 16.095) 16.404 2.266 ( -1.030 1.627 -2.350) 3.038 2.568 ( 8.410 -4.778 10.853) 14.537 2.733 ( 0.281 7.325 -0.606) 7.356 2.941 ( -1.861 -4.811 0.984) 5.251 4.137 ( 10.795 1.032 5.772) 12.285 4.437 ( 1.354 0.906 4.626) 4.905 4.522 ( 0.905 -0.789 -2.401) 2.684 5.734 ( 1.757 10.082 -15.711) 18.750 7.562 ( -10.878 2.523 6.428) 12.885 7.987 ( -8.939 -12.342 -1.605) 15.323 26.519 ( -3.326 1.363 47.360) 47.496 27.558 ( 5.022 -0.403 9.199) 10.488 28.368 ( 9.190 0.154 -8.290) 12.377 30.878 ( -3.149 1.274 -51.695) 51.807 96.923 ( -5.613 3.413 11.884) 13.579 97.794 ( -1.129 -1.462 -10.346) 10.509======================= Grid point 703 (200/343) =======================q-point: ( 0.23 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( 4.257 3.141 12.842) 13.889 1.885 ( 2.747 -4.791 12.270) 13.456 2.228 ( -1.267 2.245 -2.426) 3.540 2.634 ( 0.486 7.198 -2.825) 7.748 2.797 ( 6.109 -4.294 8.329) 11.186 2.937 ( -1.051 -2.967 3.429) 4.655 4.313 ( 7.485 2.680 3.352) 8.628 4.487 ( 5.311 -0.159 0.703) 5.360 4.517 ( -2.285 -2.091 -1.210) 3.325 5.696 ( 3.379 13.429 -19.829) 24.186 7.350 ( -11.457 -2.472 7.547) 13.940 7.883 ( -10.700 -10.337 -3.462) 15.275 26.451 ( -2.819 1.218 47.658) 47.756 27.669 ( 6.301 -0.601 11.003) 12.693 28.543 ( 9.634 0.610 -7.649) 12.316 30.799 ( -4.043 1.648 -50.832) 51.019 96.801 ( -4.745 3.095 14.716) 15.769 97.782 ( -1.262 -1.286 -10.309) 10.465======================= Grid point 704 (201/343) =======================q-point: ( 0.31 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 7.118 1.091 8.302) 10.990 1.965 ( 1.593 -4.634 7.363) 8.845 2.202 ( 0.461 1.590 -0.916) 1.892 2.583 ( -1.036 4.509 -3.604) 5.864 2.863 ( -0.638 0.077 6.504) 6.536 2.994 ( 4.260 -3.244 3.740) 6.531 4.343 ( -1.516 2.332 0.469) 2.821 4.464 ( -2.921 -1.432 -1.465) 3.568 4.658 ( 10.001 -0.696 -2.817) 10.414 5.669 ( 4.050 12.952 -23.195) 26.873 7.185 ( -9.100 -5.218 8.114) 13.262 7.752 ( -10.114 -7.571 -4.602) 13.446 26.400 ( -1.876 0.825 47.793) 47.837 27.792 ( 6.226 -0.688 12.841) 14.288 28.704 ( 8.071 0.913 -6.816) 10.603 30.710 ( -4.083 1.657 -49.813) 50.007 96.707 ( -3.211 2.364 16.264) 16.746 97.768 ( -1.034 -0.979 -10.146) 10.246======================= Grid point 705 (202/343) =======================q-point: ( 0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( 7.321 -0.055 4.471) 8.579 1.994 ( -1.007 -2.041 2.452) 3.345 2.235 ( 3.229 -0.633 1.288) 3.534 2.532 ( -2.008 1.635 -3.032) 3.987 2.835 ( -1.060 1.664 6.679) 6.964 3.077 ( 2.302 -1.467 1.161) 2.967 4.259 ( -5.066 0.435 -1.130) 5.209 4.442 ( -0.326 0.229 -3.841) 3.861 4.828 ( 7.392 -0.351 -5.916) 9.474 5.657 ( 3.066 8.839 -24.604) 26.323 7.089 ( -5.241 -4.818 8.183) 10.846 7.629 ( -7.428 -4.499 -5.019) 10.030 26.369 ( -0.989 0.426 47.867) 47.879 27.900 ( 4.627 -0.572 14.350) 15.089 28.823 ( 5.257 0.830 -6.130) 8.118 30.631 ( -3.085 1.236 -48.927) 49.039 96.647 ( -1.788 1.491 16.955) 17.114 97.758 ( -0.638 -0.623 -9.976) 10.016======================= Grid point 706 (203/343) =======================q-point: ( 0.46 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 5.195 -0.052 2.225) 5.652 1.967 ( -2.809 -0.553 1.154) 3.087 2.302 ( 2.446 -0.712 0.745) 2.654 2.487 ( -1.714 0.234 -1.710) 2.432 2.812 ( -0.253 0.989 6.704) 6.782 3.104 ( 0.311 -0.279 -0.782) 0.887 4.185 ( -2.220 0.023 -2.080) 3.042 4.438 ( 0.014 0.233 -5.542) 5.546 4.925 ( 2.665 -0.106 -7.877) 8.317 5.653 ( 1.098 3.057 -24.757) 24.969 7.052 ( -1.574 -1.924 7.968) 8.347 7.553 ( -2.803 -1.459 -5.002) 5.917 26.355 ( -0.298 0.124 47.912) 47.913 27.963 ( 1.721 -0.226 15.218) 15.317 28.885 ( 1.812 0.336 -5.771) 6.058 30.585 ( -1.157 0.459 -48.426) 48.442 96.618 ( -0.570 0.513 17.204) 17.221 97.754 ( -0.211 -0.215 -9.874) 9.879======================= Grid point 714 (204/343) =======================q-point: ( 0.08 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( 0.102 -0.000 15.005) 15.005 1.793 ( 0.554 -0.000 18.462) 18.471 2.279 ( -1.060 0.000 -2.108) 2.360 2.523 ( 10.767 -0.000 12.197) 16.270 2.847 ( 0.796 -0.000 5.542) 5.599 2.852 ( -3.330 0.000 -7.418) 8.131 4.144 ( 10.976 -0.000 5.940) 12.480 4.445 ( 1.230 -0.000 5.534) 5.669 4.516 ( 0.477 -0.000 -2.537) 2.581 5.809 ( 1.791 -0.000 -15.681) 15.783 7.599 ( -13.177 0.000 2.999) 13.514 7.876 ( -6.570 0.000 1.203) 6.680 26.529 ( -3.542 0.000 47.348) 47.480 27.555 ( 5.006 -0.000 9.203) 10.477 28.369 ( 9.335 -0.000 -8.333) 12.514 30.887 ( -3.183 0.000 -51.596) 51.694 96.949 ( -6.147 0.000 11.316) 12.878 97.783 ( -0.894 0.000 -9.748) 9.789======================= Grid point 715 (205/343) =======================q-point: ( 0.15 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( 3.661 2.568 12.424) 13.205 1.825 ( 1.907 -2.859 15.251) 15.634 2.250 ( -1.611 0.728 -1.967) 2.645 2.715 ( 6.248 1.930 3.025) 7.205 2.769 ( 0.579 2.038 0.354) 2.148 2.881 ( -0.184 -4.070 3.979) 5.695 4.343 ( 8.906 1.264 4.480) 10.049 4.487 ( 2.934 0.072 0.394) 2.961 4.493 ( -1.631 -1.041 -0.633) 2.036 5.833 ( 2.562 5.032 -19.817) 20.606 7.339 ( -13.339 0.359 4.938) 14.228 7.761 ( -8.170 -5.290 -1.573) 9.859 26.463 ( -3.173 0.442 47.709) 47.817 27.662 ( 6.298 -0.221 11.048) 12.719 28.550 ( 9.793 0.236 -7.722) 12.474 30.816 ( -4.177 0.587 -50.747) 50.922 96.833 ( -5.504 1.199 14.280) 15.351 97.768 ( -0.954 -0.540 -9.584) 9.647======================= Grid point 716 (206/343) =======================q-point: ( 0.23 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( 6.612 2.783 8.636) 11.227 1.896 ( 2.386 -4.506 10.354) 11.542 2.218 ( -0.862 0.700 -0.982) 1.482 2.652 ( -3.176 4.466 -4.747) 7.250 2.864 ( 1.414 0.317 5.764) 5.943 2.941 ( 4.930 -3.943 4.050) 7.500 4.374 ( -4.138 1.738 0.295) 4.498 4.445 ( -0.557 -1.021 0.508) 1.269 4.649 ( 10.280 -0.446 -3.099) 10.746 5.825 ( 1.444 7.894 -23.684) 25.006 7.131 ( -9.255 -2.172 7.101) 11.866 7.651 ( -7.787 -5.737 -3.777) 10.383 26.409 ( -2.235 0.460 47.877) 47.932 27.784 ( 6.286 -0.403 12.928) 14.381 28.715 ( 8.088 0.557 -6.855) 10.617 30.729 ( -4.389 0.922 -49.797) 49.999 96.735 ( -3.955 1.414 16.070) 16.610 97.756 ( -0.739 -0.633 -9.511) 9.561======================= Grid point 717 (207/343) =======================q-point: ( 0.31 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( 7.411 1.797 4.970) 9.102 1.957 ( 0.716 -3.058 4.637) 5.600 2.222 ( 1.474 -0.949 1.085) 2.062 2.566 ( -3.224 2.612 -3.349) 5.332 2.858 ( -0.406 1.603 5.592) 5.831 3.045 ( 2.826 -2.715 1.317) 4.134 4.262 ( -5.828 0.038 -1.246) 5.960 4.448 ( 0.237 0.574 -2.409) 2.488 4.823 ( 7.563 -0.329 -5.964) 9.637 5.774 ( -1.016 6.817 -25.313) 26.235 7.033 ( -3.381 -2.768 8.090) 9.195 7.564 ( -5.246 -4.286 -4.786) 8.294 26.374 ( -1.271 0.281 47.935) 47.953 27.892 ( 4.799 -0.441 14.430) 15.213 28.834 ( 5.045 0.667 -6.117) 7.957 30.647 ( -3.591 0.861 -48.958) 49.097 96.666 ( -2.512 1.102 16.899) 17.120 97.750 ( -0.342 -0.492 -9.539) 9.557======================= Grid point 718 (208/343) =======================q-point: ( 0.38 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( 5.355 0.950 2.617) 6.035 1.961 ( -1.377 -0.318 1.328) 1.940 2.276 ( 2.049 -2.546 1.485) 3.590 2.501 ( -1.858 1.373 -1.775) 2.913 2.835 ( -0.584 2.133 5.728) 6.140 3.084 ( -0.122 -2.285 -0.728) 2.401 4.183 ( -2.374 -0.215 -2.170) 3.223 4.444 ( -0.136 0.574 -5.156) 5.190 4.923 ( 2.758 -0.213 -7.787) 8.264 5.697 ( -3.363 2.781 -24.694) 25.076 7.033 ( 1.492 -0.783 7.777) 7.958 7.528 ( -0.812 -1.957 -4.926) 5.363 26.357 ( -0.506 0.067 47.939) 47.942 27.960 ( 2.005 -0.252 15.238) 15.372 28.890 ( 1.401 0.402 -5.743) 5.925 30.591 ( -1.823 0.364 -48.448) 48.483 96.625 ( -1.319 0.444 17.195) 17.251 97.750 ( 0.100 -0.205 -9.710) 9.713======================= Grid point 719 (209/343) =======================q-point: (-0.54 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( -4.118 0.934 1.818) 4.597 1.977 ( 3.042 0.908 0.870) 3.292 2.294 ( -2.189 -1.594 1.110) 2.926 2.495 ( 2.029 1.023 -1.921) 2.976 2.809 ( -0.805 0.735 6.425) 6.517 3.090 ( -0.686 -2.109 -0.806) 2.360 4.182 ( 2.048 -0.252 -2.308) 3.096 4.437 ( -0.276 0.061 -6.375) 6.382 4.925 ( -2.580 -0.082 -7.693) 8.114 5.613 ( -5.392 -2.334 -23.527) 24.250 7.086 ( 4.664 2.543 7.376) 9.090 7.568 ( 4.695 0.618 -4.854) 6.782 26.353 ( 0.080 -0.160 47.889) 47.889 27.966 ( -1.411 0.133 15.161) 15.227 28.881 ( -2.255 -0.167 -5.767) 6.194 30.578 ( 0.448 -0.453 -48.405) 48.409 96.611 ( -0.210 -0.462 17.208) 17.215 97.756 ( 0.523 0.172 -10.032) 10.047======================= Grid point 720 (210/343) =======================q-point: (-0.46 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( -6.609 1.925 3.467) 7.708 2.015 ( 1.675 0.720 0.659) 1.939 2.237 ( -4.101 -0.394 1.940) 4.554 2.527 ( 1.450 0.932 -3.453) 3.859 2.810 ( 0.846 -1.635 7.362) 7.588 3.083 ( -1.626 -0.702 1.021) 2.044 4.251 ( 4.355 -0.565 -1.596) 4.673 4.439 ( 0.669 -0.311 -5.618) 5.666 4.832 ( -7.228 0.144 -5.634) 9.166 5.533 ( -7.127 -7.890 -22.716) 25.082 7.166 ( 7.260 5.623 7.588) 11.912 7.688 ( 9.440 3.423 -4.857) 11.154 26.362 ( 0.657 -0.490 47.787) 47.794 27.908 ( -4.405 0.540 14.230) 14.906 28.811 ( -5.522 -0.736 -6.131) 8.284 30.612 ( 2.467 -1.341 -48.886) 48.967 96.625 ( 0.974 -1.511 17.002) 17.097 97.767 ( 0.935 0.578 -10.468) 10.526======================= Grid point 721 (211/343) =======================q-point: (-0.38 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( -7.162 1.719 6.732) 9.978 2.022 ( -0.208 2.890 3.766) 4.752 2.173 ( -2.714 -2.107 0.299) 3.449 2.534 ( -0.711 -1.897 -3.143) 3.739 2.855 ( 2.289 -1.149 7.091) 7.539 3.031 ( -3.437 1.811 3.654) 5.333 4.312 ( 0.287 -1.775 -1.008) 2.061 4.481 ( 4.017 0.774 -2.682) 4.892 4.668 ( -9.652 0.569 -2.422) 9.968 5.471 ( -7.483 -13.606 -21.750) 26.724 7.276 ( 9.518 7.081 8.322) 14.491 7.856 ( 12.231 6.562 -4.748) 14.670 26.386 ( 1.383 -1.015 47.666) 47.697 27.803 ( -6.133 0.787 12.707) 14.131 28.690 ( -8.047 -0.975 -6.769) 10.561 30.683 ( 3.642 -2.038 -49.825) 50.000 96.670 ( 2.297 -2.648 16.473) 16.841 97.783 ( 1.331 0.978 -10.960) 11.083======================= Grid point 722 (212/343) =======================q-point: (-0.31 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( -5.068 -0.138 11.299) 12.384 1.954 ( -3.577 4.559 9.392) 11.036 2.183 ( 0.727 -4.050 -2.984) 5.083 2.537 ( -1.852 -5.759 -2.540) 6.561 2.865 ( -2.319 4.362 8.999) 10.265 2.966 ( -0.076 1.330 4.121) 4.331 4.273 ( -6.636 -2.594 1.383) 7.258 4.492 ( -5.946 0.541 0.697) 6.011 4.548 ( 1.809 2.083 -1.488) 3.135 5.466 ( -5.055 -17.548 -19.177) 26.481 7.414 ( 10.418 6.230 9.278) 15.278 8.033 ( 12.841 9.813 -4.422) 16.755 26.429 ( 2.215 -1.704 47.543) 47.625 27.679 ( -6.302 0.820 10.915) 12.631 28.533 ( -9.350 -0.755 -7.542) 12.037 30.770 ( 3.792 -2.376 -50.966) 51.162 96.749 ( 3.636 -3.906 15.320) 16.222 97.802 ( 1.610 1.395 -11.423) 11.620======================= Grid point 723 (213/343) =======================q-point: (-0.23 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( -0.759 -3.226 15.648) 15.995 1.845 ( -4.926 2.857 12.757) 13.970 2.233 ( 1.357 -3.070 -2.919) 4.448 2.549 ( -2.430 -7.556 -1.445) 8.068 2.738 ( -4.490 7.752 11.093) 14.259 2.987 ( 2.053 1.650 3.134) 4.094 4.116 ( -10.360 -1.710 5.145) 11.693 4.425 ( -1.749 -0.594 2.932) 3.465 4.536 ( -1.941 1.087 -2.460) 3.317 5.532 ( -1.721 -17.125 -15.224) 22.979 7.564 ( 9.106 3.069 9.988) 13.860 8.176 ( 10.958 12.856 -3.951) 17.348 26.491 ( 2.754 -2.359 47.354) 47.493 27.566 ( -5.062 0.698 9.184) 10.510 28.365 ( -8.794 -0.203 -8.186) 12.016 30.852 ( 3.047 -2.313 -51.949) 52.089 96.858 ( 4.417 -5.225 13.150) 14.824 97.820 ( 1.545 1.881 -11.729) 11.979======================= Grid point 724 (214/343) =======================q-point: (-0.15 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( 3.762 -5.198 17.611) 18.743 1.738 ( -5.542 -0.862 15.508) 16.491 2.269 ( 0.677 -1.673 -1.619) 2.424 2.497 ( -4.056 7.062 10.686) 13.435 2.671 ( -0.734 -5.523 1.867) 5.876 3.001 ( 1.295 3.310 1.378) 3.812 3.961 ( -6.701 -1.192 7.743) 10.310 4.413 ( -0.458 -1.091 5.158) 5.292 4.483 ( -2.829 -0.383 -3.028) 4.161 5.630 ( -0.269 -13.750 -12.452) 18.552 7.697 ( 5.468 -1.593 9.706) 11.253 8.238 ( 6.352 15.226 -3.175) 16.801 26.558 ( 2.194 -2.616 47.039) 47.163 27.488 ( -2.792 0.512 7.884) 8.379 28.226 ( -5.671 0.330 -8.470) 10.198 30.912 ( 1.679 -1.925 -52.504) 52.566 96.976 ( 3.457 -6.030 10.091) 12.253 97.828 ( 0.929 2.327 -11.650) 11.917======================= Grid point 725 (215/343) =======================q-point: (-0.08 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( 0.000 1.718 14.773) 14.872 1.694 ( -0.000 -10.593 20.057) 22.683 2.285 ( -0.000 -0.978 -1.241) 1.581 2.374 ( 0.000 12.007 16.501) 20.407 2.729 ( -0.000 -9.625 -0.744) 9.654 2.984 ( 0.000 4.848 -1.012) 4.952 3.904 ( -0.000 -0.832 8.701) 8.741 4.418 ( -0.000 -0.909 6.949) 7.008 4.458 ( -0.000 -0.773 -3.258) 3.349 5.712 ( -0.000 -9.581 -11.705) 15.126 7.779 ( -0.000 -6.135 7.788) 9.915 8.184 ( 0.000 15.998 -1.572) 16.075 26.598 ( -0.000 -2.094 46.781) 46.828 27.458 ( 0.000 0.339 7.380) 7.388 28.167 ( 0.000 0.415 -8.494) 8.504 30.939 ( -0.000 -1.343 -52.565) 52.582 97.054 ( -0.000 -5.183 7.747) 9.321 97.820 ( 0.000 2.207 -10.999) 11.218======================= Grid point 728 (216/343) =======================q-point: ( 0.15 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 6.343 -0.000 7.908) 10.137 1.856 ( 2.634 -0.000 12.276) 12.555 2.223 ( -1.285 0.000 -0.927) 1.585 2.689 ( -4.779 0.000 -5.689) 7.430 2.876 ( 0.524 -0.000 5.116) 5.143 2.897 ( 7.641 -0.000 4.909) 9.082 4.387 ( -6.701 0.000 -0.990) 6.774 4.437 ( 1.876 -0.000 2.436) 3.075 4.646 ( 10.383 -0.000 -3.201) 10.865 5.883 ( 0.451 -0.000 -23.692) 23.697 7.117 ( -9.565 0.000 6.312) 11.460 7.606 ( -6.597 0.000 -3.168) 7.318 26.413 ( -2.366 0.000 47.906) 47.965 27.781 ( 6.307 -0.000 12.957) 14.410 28.720 ( 8.094 -0.000 -6.871) 10.617 30.736 ( -4.497 0.000 -49.790) 49.993 96.746 ( -4.246 0.000 15.989) 16.543 97.751 ( -0.611 0.000 -9.269) 9.289======================= Grid point 729 (217/343) =======================q-point: ( 0.23 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 7.271 2.025 4.288) 8.681 1.913 ( 2.056 -2.463 7.034) 7.731 2.212 ( 0.223 -0.379 0.992) 1.085 2.596 ( -4.420 1.220 -3.779) 5.942 2.879 ( 0.304 1.095 4.772) 4.905 3.008 ( 3.249 -1.773 1.477) 3.985 4.261 ( -6.168 -0.064 -1.547) 6.359 4.455 ( 0.443 0.339 -1.578) 1.673 4.820 ( 7.675 -0.122 -5.891) 9.676 5.843 ( -3.634 2.515 -25.256) 25.640 7.009 ( -2.325 -0.736 7.519) 7.904 7.516 ( -3.660 -1.877 -4.385) 6.013 26.377 ( -1.433 0.097 47.974) 47.995 27.888 ( 4.891 -0.166 14.467) 15.272 28.841 ( 4.928 0.256 -6.106) 7.851 30.655 ( -3.874 0.307 -48.975) 49.129 96.677 ( -2.945 0.408 16.860) 17.120 97.745 ( -0.151 -0.189 -9.279) 9.282======================= Grid point 730 (218/343) =======================q-point: ( 0.31 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 3.953 1.439 2.975) 5.152 1.955 ( 1.534 -0.516 1.332) 2.096 2.240 ( 1.421 -2.132 2.513) 3.589 2.520 ( -2.503 1.019 -2.027) 3.378 2.870 ( 0.055 2.596 4.527) 5.219 3.044 ( -0.872 -2.959 -0.705) 3.164 4.180 ( -2.412 -0.208 -2.413) 3.418 4.452 ( -0.358 0.491 -5.131) 5.167 4.920 ( 2.838 -0.129 -7.529) 8.047 5.729 ( -6.605 1.565 -23.843) 24.790 7.028 ( 3.569 0.030 7.023) 7.878 7.501 ( 0.839 -1.503 -4.691) 4.997 26.357 ( -0.655 0.024 47.962) 47.966 27.956 ( 2.201 -0.168 15.234) 15.393 28.895 ( 1.115 0.275 -5.707) 5.821 30.595 ( -2.294 0.199 -48.464) 48.519 96.630 ( -1.862 0.259 17.184) 17.287 97.748 ( 0.331 -0.127 -9.585) 9.591======================= Grid point 731 (219/343) =======================q-point: ( 0.38 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( -2.435 1.178 1.542) 3.114 1.991 ( 1.972 0.964 0.332) 2.220 2.265 ( -1.096 -2.088 2.347) 3.328 2.509 ( 2.168 0.706 -1.820) 2.917 2.836 ( -1.559 3.065 4.669) 5.798 3.044 ( -1.288 -4.172 -0.678) 4.419 4.178 ( 1.983 -0.256 -2.694) 3.355 4.438 ( -0.831 0.058 -7.478) 7.524 4.924 ( -2.505 -0.096 -7.263) 7.683 5.587 ( -8.405 -1.279 -21.644) 23.254 7.121 ( 6.930 2.205 6.414) 9.696 7.572 ( 6.213 -0.004 -4.573) 7.714 26.351 ( -0.099 -0.139 47.874) 47.874 27.967 ( -1.150 0.046 15.084) 15.128 28.880 ( -2.625 -0.029 -5.736) 6.309 30.572 ( -0.143 -0.333 -48.389) 48.390 96.605 ( -0.844 -0.315 17.205) 17.229 97.758 ( 0.770 0.104 -10.150) 10.180======================= Grid point 732 (220/343) =======================q-point: (-0.54 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( -5.385 3.195 2.369) 6.694 2.013 ( 0.526 -1.086 -0.511) 1.310 2.230 ( -3.269 -0.320 3.024) 4.465 2.553 ( 2.091 2.254 -4.148) 5.163 2.793 ( -0.754 -0.352 6.759) 6.810 3.055 ( -0.795 -3.074 1.018) 3.334 4.245 ( 4.244 -0.284 -2.278) 4.825 4.429 ( -0.052 -1.039 -7.822) 7.891 4.833 ( -7.085 0.016 -5.077) 8.716 5.438 ( -10.031 -5.054 -20.035) 22.969 7.244 ( 8.941 4.884 6.724) 12.206 7.727 ( 10.953 2.007 -4.435) 11.987 26.355 ( 0.352 -0.437 47.712) 47.715 27.915 ( -4.181 0.393 14.090) 14.702 28.802 ( -5.783 -0.494 -6.113) 8.430 30.594 ( 1.877 -1.134 -48.846) 48.895 96.605 ( 0.260 -1.202 17.027) 17.072 97.775 ( 1.165 0.421 -10.900) 10.970======================= Grid point 733 (221/343) =======================q-point: (-0.46 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( -6.536 4.032 4.690) 8.998 2.033 ( 0.567 -1.712 -0.845) 1.991 2.157 ( -4.291 0.394 3.697) 5.678 2.530 ( -2.518 1.120 -3.396) 4.374 2.831 ( 3.101 -1.977 6.895) 7.814 3.044 ( -1.872 -0.111 3.401) 3.883 4.294 ( -0.212 -0.551 -3.005) 3.063 4.478 ( 4.379 -1.483 -4.214) 6.255 4.674 ( -9.344 0.335 -1.888) 9.539 5.296 ( -10.782 -10.150 -19.151) 24.209 7.380 ( 10.225 6.951 7.983) 14.717 7.936 ( 13.744 4.471 -4.288) 15.076 26.371 ( 0.878 -0.977 47.521) 47.540 27.814 ( -6.022 0.695 12.545) 13.933 28.677 ( -8.027 -0.792 -6.724) 10.501 30.654 ( 3.161 -1.959 -49.828) 49.967 96.633 ( 1.460 -2.324 16.625) 16.850 97.795 ( 1.529 0.750 -11.735) 11.858======================= Grid point 734 (222/343) =======================q-point: (-0.38 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( -5.382 3.474 8.370) 10.540 2.015 ( -3.557 3.747 6.704) 8.464 2.113 ( -0.467 -5.334 -2.707) 6.000 2.473 ( -3.945 -3.103 -1.820) 5.339 2.902 ( 2.889 0.520 7.420) 7.979 2.991 ( -2.190 2.426 5.149) 6.099 4.241 ( -6.486 -1.696 -0.997) 6.778 4.502 ( -6.103 0.747 0.917) 6.217 4.572 ( 2.208 0.879 -1.880) 3.030 5.212 ( -7.680 -16.615 -17.718) 25.475 7.518 ( 10.249 7.726 9.823) 16.163 8.157 ( 14.177 7.192 -4.181) 16.437 26.404 ( 1.522 -1.797 47.368) 47.426 27.691 ( -6.298 0.836 10.798) 12.529 28.523 ( -9.011 -0.672 -7.442) 11.706 30.733 ( 3.471 -2.584 -51.101) 51.284 96.693 ( 2.587 -3.693 15.833) 16.462 97.820 ( 1.801 1.074 -12.550) 12.724======================= Grid point 735 (223/343) =======================q-point: (-0.31 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( -2.051 0.806 12.734) 12.924 1.891 ( -6.063 3.537 10.362) 12.516 2.173 ( 1.787 -5.300 -3.742) 6.730 2.436 ( -3.778 -7.082 -1.903) 8.249 2.863 ( -2.271 8.494 11.279) 14.301 2.994 ( 2.146 -0.372 4.145) 4.683 4.090 ( -9.985 -1.780 4.038) 10.917 4.423 ( -2.163 0.238 1.377) 2.575 4.553 ( -3.232 1.117 -2.671) 4.339 5.262 ( -1.730 -19.468 -13.887) 23.976 7.641 ( 8.450 6.977 11.650) 15.994 8.342 ( 11.983 9.899 -4.303) 16.127 26.453 ( 2.007 -2.765 47.259) 47.383 27.577 ( -5.112 0.818 9.155) 10.517 28.362 ( -8.261 -0.139 -8.074) 11.552 30.813 ( 2.883 -2.878 -52.262) 52.420 96.780 ( 3.196 -5.320 14.395) 15.676 97.845 ( 1.774 1.453 -13.217) 13.414======================= Grid point 736 (224/343) =======================q-point: (-0.23 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 1.920 -3.645 16.144) 16.661 1.754 ( -5.952 2.620 12.811) 14.367 2.235 ( 1.235 -3.161 -1.614) 3.758 2.442 ( -2.168 -9.820 -3.506) 10.650 2.750 ( -1.746 11.226 13.365) 17.541 3.028 ( 1.395 0.636 3.896) 4.186 3.940 ( -6.680 -1.633 7.410) 10.109 4.401 ( -0.494 -0.481 2.624) 2.713 4.475 ( -3.920 -0.657 -3.209) 5.108 5.392 ( 0.237 -18.287 -11.177) 21.434 7.724 ( 4.857 4.770 12.656) 14.371 8.442 ( 6.979 12.442 -4.566) 14.979 26.512 ( 1.678 -3.525 47.131) 47.293 27.497 ( -2.837 0.714 7.926) 8.449 28.232 ( -5.245 0.505 -8.425) 9.937 30.877 ( 1.625 -2.816 -52.944) 53.043 96.880 ( 2.516 -6.872 12.295) 14.308 97.861 ( 1.160 1.960 -13.487) 13.678======================= Grid point 737 (225/343) =======================q-point: (-0.15 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( -0.000 -8.788 18.202) 20.213 1.658 ( 0.000 3.269 13.980) 14.357 2.263 ( -0.000 -1.973 -0.530) 2.042 2.481 ( -0.000 -4.222 0.231) 4.228 2.660 ( 0.000 6.525 10.860) 12.669 3.032 ( 0.000 1.872 2.775) 3.347 3.887 ( -0.000 -1.469 8.576) 8.701 4.404 ( -0.000 -0.791 4.492) 4.562 4.442 ( -0.000 -1.378 -3.399) 3.668 5.520 ( -0.000 -16.255 -10.832) 19.534 7.747 ( 0.000 1.564 12.082) 12.182 8.410 ( 0.000 14.534 -4.362) 15.175 26.556 ( -0.000 -3.542 46.992) 47.125 27.465 ( 0.000 0.600 7.435) 7.459 28.176 ( 0.000 0.734 -8.497) 8.529 30.912 ( -0.000 -2.464 -52.993) 53.050 96.959 ( -0.000 -7.400 10.361) 12.732 97.856 ( 0.000 2.434 -12.968) 13.194======================= Grid point 742 (226/343) =======================q-point: ( 0.23 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 0.625 -0.000 3.657) 3.710 1.948 ( 5.588 -0.000 0.761) 5.639 2.223 ( 1.026 -0.000 2.974) 3.146 2.527 ( -2.856 0.000 -2.152) 3.576 2.895 ( 0.900 -0.000 4.139) 4.235 3.016 ( -1.664 0.000 -0.830) 1.859 4.178 ( -2.404 0.000 -2.533) 3.492 4.456 ( -0.483 0.000 -5.185) 5.207 4.919 ( 2.871 -0.000 -7.383) 7.921 5.740 ( -7.761 0.000 -23.358) 24.613 7.029 ( 4.249 -0.000 6.586) 7.838 7.490 ( 1.512 -0.000 -4.551) 4.796 26.357 ( -0.710 0.000 47.970) 47.976 27.955 ( 2.270 -0.000 15.229) 15.397 28.898 ( 1.013 -0.000 -5.690) 5.780 30.596 ( -2.463 0.000 -48.470) 48.533 96.632 ( -2.060 0.000 17.180) 17.303 97.747 ( 0.417 -0.000 -9.538) 9.547======================= Grid point 743 (227/343) =======================q-point: ( 0.31 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -0.844 0.539 1.474) 1.782 2.002 ( 0.262 0.452 -0.345) 0.626 2.242 ( 0.151 -0.952 3.574) 3.702 2.515 ( 1.986 0.155 -1.573) 2.538 2.894 ( -0.748 4.580 2.913) 5.479 2.975 ( -2.727 -4.957 -0.444) 5.675 4.176 ( 1.990 -0.099 -2.968) 3.574 4.439 ( -1.350 -0.000 -8.299) 8.408 4.923 ( -2.448 -0.022 -6.863) 7.287 5.575 ( -9.838 -0.387 -20.297) 22.559 7.145 ( 8.045 0.886 5.704) 9.901 7.571 ( 7.090 -0.101 -4.343) 8.315 26.350 ( -0.200 -0.055 47.867) 47.868 27.967 ( -1.001 0.007 15.030) 15.063 28.880 ( -2.835 0.008 -5.708) 6.374 30.569 ( -0.477 -0.123 -48.380) 48.383 96.602 ( -1.198 -0.111 17.202) 17.244 97.759 ( 0.905 0.034 -10.213) 10.253======================= Grid point 744 (228/343) =======================q-point: (-0.62 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( -3.737 3.577 1.350) 5.347 1.984 ( -1.905 -2.627 -0.635) 3.307 2.230 ( -1.719 0.218 3.725) 4.109 2.580 ( 3.861 1.181 -3.462) 5.319 2.808 ( -3.672 2.310 3.687) 5.693 2.999 ( 0.363 -4.358 1.706) 4.694 4.243 ( 4.678 -0.003 -2.674) 5.388 4.412 ( -1.608 -1.143 -9.915) 10.110 4.833 ( -6.935 0.056 -4.411) 8.219 5.386 ( -11.456 -2.203 -17.721) 21.216 7.301 ( 10.028 2.844 6.012) 12.033 7.747 ( 11.868 0.827 -4.014) 12.556 26.350 ( 0.140 -0.259 47.660) 47.661 27.919 ( -4.014 0.199 13.973) 14.540 28.797 ( -5.974 -0.231 -6.087) 8.532 30.581 ( 1.456 -0.649 -48.817) 48.843 96.591 ( -0.220 -0.660 17.036) 17.050 97.779 ( 1.303 0.216 -11.189) 11.267======================= Grid point 745 (229/343) =======================q-point: (-0.54 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -5.519 5.196 2.712) 8.051 1.983 ( -1.129 -4.631 -1.643) 5.042 2.177 ( -3.161 1.774 4.473) 5.757 2.559 ( -4.534 2.498 -3.720) 6.374 2.805 ( 3.553 -1.359 5.703) 6.855 3.028 ( 0.036 -1.929 2.993) 3.561 4.297 ( -0.347 0.960 -4.981) 5.085 4.437 ( 3.583 -3.999 -5.979) 8.036 4.679 ( -8.951 0.384 -1.213) 9.041 5.186 ( -12.779 -5.122 -15.989) 21.100 7.469 ( 10.902 5.050 7.508) 14.168 7.985 ( 14.647 2.366 -3.616) 15.271 26.359 ( 0.472 -0.706 47.394) 47.402 27.822 ( -5.919 0.465 12.395) 13.744 28.668 ( -8.016 -0.486 -6.686) 10.450 30.629 ( 2.753 -1.412 -49.824) 49.920 96.605 ( 0.850 -1.563 16.708) 16.802 97.804 ( 1.622 0.446 -12.319) 12.434======================= Grid point 746 (230/343) =======================q-point: (-0.46 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( -5.000 5.861 5.108) 9.244 2.010 ( -0.098 -5.633 -2.336) 6.099 2.086 ( -4.653 2.888 5.324) 7.638 2.442 ( -6.560 -1.372 -0.957) 6.770 2.896 ( 4.596 -0.640 5.181) 6.955 3.023 ( -0.809 1.434 4.921) 5.190 4.225 ( -6.934 -0.663 -3.475) 7.784 4.510 ( -4.791 0.159 1.255) 4.955 4.567 ( 2.780 -1.483 -2.704) 4.152 5.009 ( -11.183 -10.849 -15.104) 21.700 7.626 ( 10.490 6.806 9.760) 15.863 8.240 ( 14.873 4.254 -3.297) 15.817 26.379 ( 0.901 -1.483 47.170) 47.202 27.702 ( -6.286 0.666 10.675) 12.407 28.514 ( -8.701 -0.462 -7.368) 11.411 30.698 ( 3.154 -2.188 -51.208) 51.352 96.645 ( 1.803 -2.783 16.157) 16.494 97.832 ( 1.829 0.644 -13.449) 13.588======================= Grid point 747 (231/343) =======================q-point: (-0.38 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( -2.831 4.928 8.449) 10.183 1.946 ( -6.121 3.919 8.570) 11.237 2.082 ( 1.498 -6.965 -4.277) 8.310 2.350 ( -5.766 -5.019 -0.171) 7.646 2.962 ( 1.495 3.738 8.021) 8.974 2.992 ( 0.875 1.521 4.897) 5.202 4.067 ( -9.913 -1.440 2.719) 10.379 4.431 ( -2.358 0.893 0.143) 2.526 4.567 ( -4.293 0.850 -2.845) 5.220 4.990 ( -1.896 -17.494 -11.846) 21.213 7.751 ( 8.392 7.751 12.115) 16.652 8.459 ( 12.381 6.234 -3.371) 14.266 26.414 ( 1.279 -2.534 47.065) 47.151 27.589 ( -5.155 0.750 9.115) 10.499 28.361 ( -7.728 -0.038 -7.988) 11.115 30.772 ( 2.689 -2.788 -52.549) 52.691 96.710 ( 2.267 -4.308 15.262) 16.019 97.861 ( 1.768 0.812 -14.418) 14.548======================= Grid point 748 (232/343) =======================q-point: (-0.31 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( 0.060 1.511 11.833) 11.929 1.805 ( -5.289 4.253 11.106) 13.016 2.170 ( 2.333 -6.187 -2.883) 7.213 2.304 ( -4.159 -8.371 -2.200) 9.603 2.904 ( -0.594 9.285 10.729) 14.201 3.029 ( 1.670 -0.123 4.989) 5.263 3.916 ( -6.735 -1.673 6.949) 9.821 4.401 ( -0.636 0.364 0.331) 0.804 4.465 ( -5.094 -0.756 -3.542) 6.250 5.123 ( 0.925 -18.184 -9.075) 20.344 7.818 ( 4.689 7.683 13.792) 16.469 8.592 ( 7.171 8.295 -3.942) 11.652 26.460 ( 1.131 -3.565 47.060) 47.208 27.507 ( -2.880 0.749 7.973) 8.510 28.240 ( -4.785 0.578 -8.387) 9.673 30.833 ( 1.544 -3.100 -53.401) 53.514 96.786 ( 1.762 -5.948 13.993) 15.306 97.883 ( 1.178 1.067 -14.983) 15.067======================= Grid point 749 (233/343) =======================q-point: (-0.23 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -0.000 -2.946 14.423) 14.721 1.715 ( 0.000 4.521 12.760) 13.537 2.228 ( -0.000 -2.978 0.609) 3.040 2.338 ( -0.000 -11.802 -6.026) 13.251 2.820 ( 0.000 11.621 12.827) 17.308 3.045 ( 0.000 0.146 4.726) 4.728 3.863 ( -0.000 -1.765 8.391) 8.575 4.398 ( 0.000 0.040 1.752) 1.752 4.420 ( -0.000 -1.679 -3.603) 3.975 5.265 ( -0.000 -18.276 -9.079) 20.406 7.810 ( 0.000 6.579 14.075) 15.537 8.592 ( 0.000 10.505 -4.558) 11.451 26.500 ( -0.000 -4.032 47.072) 47.245 27.475 ( 0.000 0.724 7.512) 7.547 28.188 ( 0.000 0.884 -8.502) 8.548 30.871 ( -0.000 -3.097 -53.518) 53.607 96.852 ( -0.000 -7.076 12.732) 14.566 97.885 ( 0.000 1.521 -14.749) 14.828======================= Grid point 756 (234/343) =======================q-point: (-0.69 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( -1.277 0.000 0.715) 1.464 1.953 ( -4.745 0.000 -0.260) 4.752 2.232 ( -1.050 0.000 3.900) 4.038 2.587 ( 4.676 -0.000 -2.566) 5.333 2.836 ( -6.186 0.000 0.456) 6.203 2.956 ( 2.097 -0.000 3.271) 3.885 4.243 ( 5.012 -0.000 -2.746) 5.715 4.403 ( -2.483 0.000 -10.798) 11.080 4.834 ( -6.861 0.000 -4.109) 7.997 5.371 ( -11.833 0.000 -16.837) 20.579 7.322 ( 10.402 -0.000 5.739) 11.880 7.753 ( 12.172 -0.000 -3.838) 12.763 26.348 ( 0.065 -0.000 47.641) 47.641 27.920 ( -3.952 0.000 13.927) 14.477 28.796 ( -6.045 0.000 -6.075) 8.570 30.576 ( 1.303 -0.000 -48.807) 48.824 96.586 ( -0.388 0.000 17.037) 17.042 97.781 ( 1.347 -0.000 -11.290) 11.370======================= Grid point 758 (235/343) =======================q-point: (-0.62 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -4.735 5.162 0.897) 7.062 1.911 ( -2.204 -5.005 -0.424) 5.485 2.197 ( -2.406 0.800 4.199) 4.905 2.588 ( -6.088 1.203 -3.325) 7.041 2.796 ( 3.731 -0.029 3.825) 5.344 2.999 ( 1.584 -1.519 2.840) 3.589 4.323 ( -0.557 2.623 -7.110) 7.599 4.375 ( 2.639 -4.131 -6.049) 7.786 4.684 ( -8.644 0.204 -0.778) 8.681 5.141 ( -13.379 -1.390 -13.955) 19.382 7.520 ( 11.313 1.854 7.186) 13.530 8.007 ( 15.049 0.700 -3.143) 15.389 26.352 ( 0.248 -0.258 47.320) 47.321 27.827 ( -5.856 0.162 12.304) 13.627 28.664 ( -8.014 -0.160 -6.662) 10.423 30.614 ( 2.519 -0.514 -49.819) 49.886 96.589 ( 0.534 -0.548 16.740) 16.757 97.808 ( 1.651 0.145 -12.629) 12.738======================= Grid point 759 (236/343) =======================q-point: (-0.54 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( -4.278 6.290 2.159) 7.907 1.920 ( -1.050 -6.162 -1.660) 6.467 2.129 ( -3.741 2.502 5.023) 6.744 2.427 ( -9.362 -0.757 -0.026) 9.392 2.894 ( 5.541 0.381 3.646) 6.644 3.029 ( 0.795 -0.397 3.341) 3.458 4.221 ( -7.909 0.039 -5.937) 9.890 4.493 ( 3.144 -2.524 -0.271) 4.041 4.547 ( -3.390 -0.584 -1.751) 3.860 4.905 ( -13.468 -3.899 -11.846) 18.355 7.706 ( 10.791 3.983 9.523) 14.933 8.283 ( 15.156 1.827 -2.409) 15.455 26.362 ( 0.479 -0.835 47.012) 47.022 27.710 ( -6.272 0.366 10.581) 12.305 28.509 ( -8.488 -0.224 -7.324) 11.214 30.673 ( 2.922 -1.253 -51.274) 51.373 96.614 ( 1.337 -1.477 16.316) 16.437 97.839 ( 1.785 0.282 -14.013) 14.129======================= Grid point 760 (237/343) =======================q-point: (-0.46 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.583 ( -2.816 7.081 4.163) 8.683 1.958 ( -0.648 -5.937 -0.978) 6.052 2.025 ( -4.256 2.842 4.418) 6.761 2.284 ( -7.641 -4.255 1.685) 8.907 2.978 ( 3.733 0.803 3.517) 5.191 3.034 ( 0.611 2.130 5.503) 5.933 4.049 ( -10.099 -0.982 1.410) 10.245 4.447 ( -2.308 1.319 -1.116) 2.883 4.574 ( -4.074 -0.073 -2.857) 4.977 4.774 ( -3.030 -11.870 -9.121) 15.273 7.853 ( 8.571 5.918 12.039) 15.919 8.525 ( 12.431 3.087 -2.039) 12.970 26.383 ( 0.721 -1.761 46.843) 46.881 27.598 ( -5.183 0.520 9.076) 10.465 28.361 ( -7.314 0.022 -7.935) 10.791 30.736 ( 2.516 -2.019 -52.760) 52.858 96.658 ( 1.687 -2.738 15.737) 16.063 97.869 ( 1.649 0.333 -15.217) 15.309======================= Grid point 761 (238/343) =======================q-point: (-0.38 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -0.899 5.959 6.700) 9.011 1.873 ( -4.521 5.018 9.461) 11.624 2.057 ( 1.788 -8.785 -4.634) 10.092 2.205 ( -5.004 -5.774 1.608) 7.808 3.001 ( 0.291 3.626 3.934) 5.358 3.040 ( 1.942 2.258 7.617) 8.178 3.893 ( -6.839 -1.386 6.441) 9.497 4.410 ( -1.097 0.866 -1.659) 2.169 4.454 ( -5.807 -0.649 -3.938) 7.046 4.884 ( 1.656 -14.452 -6.180) 15.805 7.930 ( 4.743 7.311 13.972) 16.467 8.683 ( 7.122 4.470 -2.349) 8.731 26.413 ( 0.674 -2.839 46.849) 46.939 27.518 ( -2.911 0.616 8.015) 8.549 28.248 ( -4.398 0.507 -8.363) 9.463 30.791 ( 1.457 -2.645 -53.779) 53.864 96.712 ( 1.273 -4.194 15.006) 15.633 97.893 ( 1.074 0.367 -15.987) 16.027======================= Grid point 762 (239/343) =======================q-point: (-0.31 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( 0.000 3.174 9.309) 9.836 1.787 ( 0.000 5.384 11.222) 12.447 2.167 ( -0.000 -11.586 -6.307) 13.192 2.177 ( -0.000 -3.953 2.101) 4.476 2.962 ( 0.000 7.370 7.857) 10.773 3.048 ( 0.000 0.868 6.162) 6.223 3.838 ( -0.000 -1.653 8.185) 8.350 4.396 ( -0.000 -1.599 -3.828) 4.148 4.405 ( 0.000 0.806 -0.592) 1.000 5.011 ( -0.000 -16.226 -6.677) 17.546 7.919 ( 0.000 7.901 14.662) 16.655 8.713 ( 0.000 6.221 -3.172) 6.983 26.444 ( -0.000 -3.599 46.943) 47.081 27.485 ( 0.000 0.682 7.594) 7.625 28.200 ( 0.000 0.832 -8.507) 8.548 30.825 ( -0.000 -3.022 -53.999) 54.084 96.760 ( -0.000 -5.461 14.295) 15.302 97.900 ( 0.000 0.590 -15.993) 16.004======================= Grid point 771 (240/343) =======================q-point: (-0.62 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( -4.104 0.000 0.036) 4.105 1.857 ( -1.243 0.000 -0.099) 1.246 2.149 ( -3.131 0.000 4.750) 5.689 2.421 ( -10.735 0.000 0.411) 10.742 2.899 ( 5.987 -0.000 3.198) 6.787 3.023 ( 1.355 -0.000 2.329) 2.695 4.222 ( -8.609 0.000 -7.261) 11.262 4.469 ( 6.018 -0.000 -1.128) 6.123 4.545 ( -5.761 0.000 -0.698) 5.803 4.880 ( -13.827 0.000 -10.513) 17.370 7.736 ( 10.921 -0.000 9.404) 14.412 8.296 ( 15.222 -0.000 -2.041) 15.359 26.356 ( 0.330 -0.000 46.951) 46.952 27.713 ( -6.265 0.000 10.545) 12.266 28.508 ( -8.414 0.000 -7.310) 11.146 30.663 ( 2.837 -0.000 -51.296) 51.374 96.603 ( 1.184 -0.000 16.361) 16.404 97.841 ( 1.759 -0.000 -14.203) 14.312======================= Grid point 773 (241/343) =======================q-point: (-0.54 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( -2.337 5.531 0.621) 6.037 1.863 ( -0.403 -5.442 -1.488) 5.656 2.077 ( -3.831 2.865 5.600) 7.365 2.230 ( -9.862 -2.732 3.035) 10.674 2.995 ( 4.386 1.153 3.638) 5.813 3.045 ( 1.053 -0.191 2.420) 2.646 4.039 ( -10.311 -0.376 0.467) 10.328 4.468 ( -2.272 1.246 -2.932) 3.913 4.559 ( -0.598 -1.707 -2.339) 2.956 4.663 ( -6.894 -3.267 -6.431) 9.978 7.913 ( 8.736 2.219 11.860) 14.896 8.553 ( 12.375 0.869 -1.109) 12.455 26.365 ( 0.421 -0.629 46.695) 46.702 27.603 ( -5.195 0.186 9.052) 10.438 28.361 ( -7.090 0.017 -7.911) 10.624 30.716 ( 2.414 -0.736 -52.870) 52.930 96.632 ( 1.417 -0.933 15.933) 16.023 97.872 ( 1.552 0.079 -15.609) 15.686======================= Grid point 774 (242/343) =======================q-point: (-0.46 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1015Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( -0.997 7.572 2.094) 7.919 1.912 ( 0.285 -5.608 -0.786) 5.670 1.968 ( -3.895 2.695 4.749) 6.708 2.125 ( -4.936 -5.526 4.093) 8.465 3.034 ( 1.244 1.990 1.408) 2.737 3.070 ( 1.660 0.891 5.927) 6.219 3.877 ( -6.889 -0.821 5.996) 9.170 4.423 ( -3.143 0.840 -3.724) 4.945 4.447 ( -4.467 -0.322 -4.404) 6.281 4.718 ( 2.133 -8.161 -2.570) 8.818 8.017 ( 4.860 4.425 13.787) 15.273 8.727 ( 6.998 1.735 -0.825) 7.257 26.381 ( 0.379 -1.562 46.630) 46.658 27.525 ( -2.927 0.346 8.043) 8.566 28.254 ( -4.148 0.296 -8.351) 9.329 30.760 ( 1.390 -1.521 -54.023) 54.062 96.666 ( 1.012 -2.138 15.491) 15.671 97.895 ( 0.961 0.053 -16.548) 16.576======================= Grid point 775 (243/343) =======================q-point: (-0.38 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 0.000 7.103 4.186) 8.245 1.869 ( 0.000 5.806 9.466) 11.104 2.006 ( -0.000 -10.607 -5.338) 11.875 2.114 ( -0.000 -4.804 3.852) 6.157 3.028 ( 0.000 2.544 1.633) 3.023 3.076 ( 0.000 2.224 7.622) 7.939 3.817 ( -0.000 -1.166 8.005) 8.089 4.375 ( -0.000 -1.144 -4.021) 4.181 4.420 ( 0.000 1.190 -2.716) 2.965 4.809 ( -0.000 -11.319 -3.639) 11.889 8.024 ( 0.000 6.213 14.591) 15.859 8.777 ( 0.000 2.851 -1.345) 3.152 26.400 ( -0.000 -2.454 46.707) 46.772 27.494 ( 0.000 0.483 7.662) 7.677 28.211 ( 0.000 0.590 -8.511) 8.532 30.787 ( -0.000 -2.197 -54.355) 54.399 96.696 ( -0.000 -3.358 15.127) 15.495 97.904 ( 0.000 0.083 -16.738) 16.739======================= Grid point 786 (244/343) =======================q-point: (-0.54 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( -0.670 0.000 -0.694) 0.965 1.837 ( 0.099 -0.000 -1.980) 1.982 2.035 ( -2.289 0.000 6.271) 6.676 2.051 ( -6.969 0.000 5.571) 8.922 3.059 ( 0.647 -0.000 0.736) 0.979 3.066 ( 2.459 -0.000 4.799) 5.392 3.871 ( -6.886 0.000 5.811) 9.010 4.430 ( -6.946 0.000 -4.888) 8.494 4.445 ( -0.815 0.000 -4.898) 4.966 4.657 ( 2.216 -0.000 -0.329) 2.240 8.050 ( 4.916 -0.000 13.662) 14.520 8.738 ( 6.936 -0.000 -0.202) 6.939 26.369 ( 0.278 -0.000 46.539) 46.540 27.527 ( -2.933 0.000 8.053) 8.570 28.256 ( -4.061 0.000 -8.347) 9.283 30.749 ( 1.365 -0.000 -54.107) 54.124 96.651 ( 0.931 -0.000 15.630) 15.657 97.895 ( 0.915 -0.000 -16.728) 16.753======================= Grid point 788 (245/343) =======================q-point: (-0.46 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 553Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( 0.000 6.439 0.026) 6.439 1.869 ( -0.000 -7.291 -3.342) 8.020 1.952 ( 0.000 5.533 7.543) 9.354 2.040 ( -0.000 -5.174 5.784) 7.760 3.059 ( 0.000 1.722 0.522) 1.800 3.091 ( -0.000 -0.178 5.312) 5.315 3.805 ( -0.000 -0.419 7.900) 7.911 4.364 ( -0.000 -0.415 -4.134) 4.154 4.435 ( 0.000 0.753 -4.785) 4.844 4.694 ( -0.000 -4.255 -0.623) 4.301 8.088 ( 0.000 2.361 14.378) 14.570 8.801 ( 0.000 0.742 -0.096) 0.748 26.375 ( -0.000 -0.868 46.532) 46.540 27.499 ( 0.000 0.174 7.700) 7.702 28.217 ( 0.000 0.213 -8.513) 8.516 30.765 ( -0.000 -0.803 -54.543) 54.549 96.664 ( -0.000 -1.125 15.465) 15.506 97.904 ( -0.000 -0.024 -17.083) 17.083======================= Grid point 875 (246/343) =======================q-point: ( 0.00 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 294Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 0.000 0.000 11.900) 11.900 2.155 ( 0.000 0.000 16.058) 16.058 2.223 ( 0.000 0.000 -5.302) 5.302 2.531 ( 0.000 0.000 5.895) 5.895 2.773 ( 0.000 0.000 -3.701) 3.701 2.888 ( 0.000 0.000 0.086) 0.086 4.088 ( 0.000 0.000 8.860) 8.860 4.380 ( 0.000 0.000 -5.305) 5.305 4.675 ( 0.000 0.000 16.827) 16.827 5.471 ( 0.000 0.000 -18.897) 18.897 7.940 ( 0.000 0.000 3.882) 3.882 8.047 ( 0.000 0.000 -0.040) 0.040 27.614 ( 0.000 0.000 53.363) 53.363 27.616 ( 0.000 0.000 8.683) 8.683 27.985 ( 0.000 0.000 -9.335) 9.335 29.856 ( 0.000 0.000 -56.709) 56.709 97.238 ( 0.000 0.000 7.952) 7.952 97.601 ( 0.000 0.000 -10.000) 10.000======================= Grid point 876 (247/343) =======================q-point: ( 0.08 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( -1.845 0.384 12.127) 12.273 2.112 ( -1.408 4.021 11.884) 12.624 2.232 ( 0.848 1.901 -1.525) 2.580 2.570 ( 2.928 1.236 -0.215) 3.185 2.758 ( 0.670 0.921 2.254) 2.525 2.925 ( 0.403 -6.675 -0.281) 6.693 4.138 ( 5.431 0.450 8.281) 9.914 4.405 ( 2.632 0.282 -4.913) 5.581 4.657 ( -1.166 1.959 15.790) 15.954 5.443 ( -1.226 4.513 -19.357) 19.914 7.867 ( -6.872 0.701 5.291) 8.701 8.023 ( -5.441 -6.437 -1.532) 8.567 27.578 ( -2.956 0.892 51.229) 51.322 27.652 ( 3.681 -0.232 9.132) 9.849 28.053 ( 6.607 -0.070 -7.296) 9.843 29.841 ( -1.267 0.841 -56.527) 56.548 97.212 ( -2.059 1.380 8.910) 9.248 97.597 ( -0.559 -0.161 -10.234) 10.250======================= Grid point 877 (248/343) =======================q-point: ( 0.15 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( -1.506 2.667 12.368) 12.742 2.073 ( -0.834 0.994 7.158) 7.274 2.225 ( 0.676 3.439 1.219) 3.710 2.570 ( 0.928 7.339 -7.486) 10.525 2.827 ( 3.902 -5.930 7.930) 10.643 2.976 ( -0.064 -5.724 0.906) 5.796 4.272 ( 9.034 0.796 6.761) 11.312 4.458 ( 2.450 -0.272 -3.359) 4.166 4.606 ( -2.176 3.292 12.596) 13.200 5.365 ( -1.659 8.931 -20.713) 22.617 7.701 ( -10.980 -2.197 7.229) 13.328 7.934 ( -9.698 -8.298 -3.769) 13.308 27.511 ( -3.165 1.271 50.489) 50.604 27.751 ( 6.565 -0.405 10.051) 12.012 28.207 ( 9.497 0.211 -6.540) 11.533 29.799 ( -2.319 1.475 -55.977) 56.045 97.150 ( -3.008 2.107 11.077) 11.670 97.584 ( -0.925 -0.123 -10.755) 10.795======================= Grid point 878 (249/343) =======================q-point: ( 0.23 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( 0.898 3.143 11.108) 11.579 2.055 ( -1.199 -0.354 1.407) 1.882 2.220 ( 1.434 2.563 4.583) 5.443 2.528 ( 0.030 5.764 -6.846) 8.950 2.943 ( 3.474 -4.935 5.702) 8.302 3.003 ( -0.331 -3.511 2.447) 4.292 4.434 ( 6.379 1.832 5.307) 8.497 4.484 ( 1.461 -1.363 -0.892) 2.188 4.537 ( -2.373 2.888 7.148) 8.066 5.268 ( -0.096 11.839 -22.353) 25.295 7.512 ( -11.654 -4.870 8.329) 15.130 7.795 ( -11.351 -8.191 -5.399) 15.003 27.449 ( -2.427 1.219 51.292) 51.364 27.893 ( 8.076 -0.499 11.225) 13.837 28.387 ( 9.852 0.619 -7.281) 12.266 29.737 ( -2.988 1.766 -55.124) 55.233 97.079 ( -2.827 2.185 13.273) 13.745 97.566 ( -0.964 -0.006 -11.309) 11.350======================= Grid point 879 (250/343) =======================q-point: ( 0.31 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 3.243 1.956 8.305) 9.128 2.031 ( -1.279 0.209 -1.421) 1.923 2.245 ( 2.299 0.452 5.574) 6.046 2.492 ( -0.451 3.261 -5.343) 6.276 2.981 ( -1.183 -1.110 4.886) 5.149 3.048 ( 1.945 -2.879 1.491) 3.781 4.384 ( -5.478 1.398 2.848) 6.331 4.457 ( -4.012 1.470 0.423) 4.293 4.631 ( 8.448 0.236 2.071) 8.701 5.208 ( 2.551 10.732 -22.256) 24.840 7.353 ( -9.416 -5.706 8.387) 13.841 7.645 ( -10.333 -6.766 -6.081) 13.767 27.405 ( -1.517 0.889 52.231) 52.260 28.048 ( 7.905 -0.519 12.445) 14.752 28.552 ( 8.295 0.911 -8.131) 11.651 29.666 ( -3.119 1.666 -54.232) 54.347 97.018 ( -2.088 1.850 14.904) 15.163 97.550 ( -0.746 0.061 -11.780) 11.804======================= Grid point 880 (251/343) =======================q-point: ( 0.38 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 4.125 0.743 4.953) 6.488 2.007 ( -1.210 0.153 -1.203) 1.713 2.292 ( 2.510 -0.458 4.101) 4.830 2.464 ( -0.701 1.417 -3.813) 4.128 2.955 ( -1.454 0.397 5.301) 5.511 3.081 ( 0.063 -1.145 -0.821) 1.410 4.260 ( -6.233 0.649 1.433) 6.429 4.374 ( -3.121 1.822 -3.104) 4.764 4.763 ( 5.717 0.216 0.358) 5.732 5.200 ( 2.940 6.598 -20.393) 21.634 7.249 ( -5.703 -4.446 7.727) 10.583 7.520 ( -7.211 -4.371 -5.928) 10.308 27.379 ( -0.746 0.488 52.898) 52.905 28.182 ( 5.915 -0.435 13.643) 14.877 28.674 ( 5.407 0.852 -8.756) 10.326 29.602 ( -2.492 1.197 -53.669) 53.740 96.976 ( -1.230 1.240 15.912) 16.008 97.538 ( -0.438 0.062 -12.127) 12.135======================= Grid point 881 (252/343) =======================q-point: ( 0.46 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 3.256 0.255 2.086) 3.875 1.980 ( -1.850 -0.134 0.057) 1.856 2.333 ( 1.323 -0.286 2.397) 2.753 2.446 ( -0.475 0.350 -2.471) 2.541 2.932 ( -0.589 0.396 5.270) 5.317 3.077 ( -0.531 -0.187 -2.015) 2.092 4.171 ( -2.572 0.195 0.943) 2.747 4.324 ( -1.124 0.772 -5.666) 5.828 4.835 ( 1.991 0.084 -0.575) 2.074 5.209 ( 1.190 2.138 -19.007) 19.163 7.202 ( -1.832 -1.671 7.043) 7.467 7.448 ( -2.614 -1.488 -5.513) 6.280 27.368 ( -0.211 0.147 53.233) 53.234 28.262 ( 2.231 -0.180 14.543) 14.714 28.737 ( 1.855 0.356 -9.126) 9.319 29.563 ( -0.980 0.438 -53.525) 53.536 96.955 ( -0.402 0.438 16.386) 16.397 97.532 ( -0.140 0.025 -12.315) 12.315======================= Grid point 889 (253/343) =======================q-point: ( 0.08 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( -1.177 0.000 11.760) 11.819 2.082 ( -2.234 0.000 6.774) 7.132 2.254 ( 0.259 -0.000 3.197) 3.207 2.629 ( 1.225 -0.000 -6.040) 6.163 2.787 ( 3.225 -0.000 5.219) 6.135 2.920 ( 1.450 -0.000 1.391) 2.010 4.278 ( 8.962 -0.000 6.410) 11.018 4.456 ( 2.090 -0.000 -3.387) 3.980 4.632 ( -2.297 0.000 13.994) 14.181 5.432 ( -1.576 0.000 -21.414) 21.472 7.690 ( -11.763 0.000 5.514) 12.992 7.867 ( -8.687 0.000 -2.109) 8.939 27.520 ( -3.341 0.000 50.372) 50.483 27.748 ( 6.582 -0.000 9.989) 11.962 28.208 ( 9.618 -0.000 -6.361) 11.531 29.809 ( -2.401 0.000 -55.923) 55.974 97.166 ( -3.230 0.000 10.622) 11.102 97.582 ( -0.876 0.000 -10.300) 10.337======================= Grid point 890 (254/343) =======================q-point: ( 0.15 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( 0.524 1.483 10.423) 10.541 2.048 ( -1.493 -0.363 3.908) 4.199 2.249 ( 0.070 1.182 4.756) 4.901 2.600 ( -1.855 3.257 -8.174) 8.992 2.888 ( 5.419 -2.239 5.620) 8.121 2.955 ( 0.885 -2.400 2.390) 3.501 4.449 ( 6.956 0.612 1.848) 7.224 4.465 ( 0.019 -1.020 -0.814) 1.305 4.578 ( -2.240 1.810 12.122) 12.460 5.391 ( -0.900 4.535 -23.609) 24.057 7.466 ( -12.040 -1.495 7.105) 14.060 7.705 ( -9.935 -3.578 -4.046) 11.308 27.461 ( -2.732 0.438 51.169) 51.244 27.888 ( 8.108 -0.191 11.236) 13.857 28.393 ( 9.991 0.241 -7.118) 12.269 29.754 ( -3.200 0.633 -55.080) 55.176 97.101 ( -3.221 0.824 12.746) 13.172 97.566 ( -0.921 -0.033 -10.677) 10.716======================= Grid point 891 (255/343) =======================q-point: ( 0.23 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( 2.571 1.987 8.037) 8.669 2.027 ( -1.258 -0.572 1.080) 1.754 2.252 ( 1.111 0.473 5.651) 5.778 2.540 ( -1.939 2.959 -6.383) 7.298 2.963 ( 0.380 -0.906 3.961) 4.081 3.003 ( 2.808 -3.050 1.983) 4.596 4.386 ( -6.192 -0.413 1.193) 6.319 4.479 ( -3.766 1.084 -0.021) 3.919 4.643 ( 8.429 1.181 5.998) 10.413 5.340 ( 0.028 6.852 -23.929) 24.890 7.287 ( -8.702 -3.153 8.002) 12.235 7.560 ( -8.617 -4.560 -5.371) 11.131 27.415 ( -1.864 0.493 52.170) 52.205 28.041 ( 7.947 -0.323 12.494) 14.811 28.563 ( 8.333 0.564 -8.025) 11.583 29.685 ( -3.479 0.931 -54.216) 54.336 97.040 ( -2.576 1.084 14.483) 14.751 97.550 ( -0.739 -0.000 -11.170) 11.194======================= Grid point 892 (256/343) =======================q-point: ( 0.31 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 3.776 1.495 4.923) 6.382 2.006 ( -1.327 -0.239 -0.017) 1.348 2.283 ( 2.018 -0.593 4.918) 5.349 2.490 ( -1.548 1.874 -4.338) 4.973 2.957 ( -0.955 0.037 4.291) 4.396 3.055 ( 0.488 -2.262 -0.413) 2.351 4.261 ( -6.763 -0.359 1.402) 6.916 4.396 ( -3.801 1.150 -3.285) 5.154 4.772 ( 5.843 0.877 2.129) 6.281 5.294 ( -0.087 5.865 -21.926) 22.697 7.194 ( -3.900 -3.088 7.749) 9.208 7.459 ( -5.226 -3.732 -5.667) 8.565 27.385 ( -1.047 0.327 52.879) 52.891 28.176 ( 5.997 -0.383 13.642) 14.907 28.686 ( 5.238 0.717 -8.655) 10.142 29.617 ( -3.005 0.834 -53.661) 53.751 96.992 ( -1.797 0.903 15.644) 15.773 97.539 ( -0.458 0.021 -11.681) 11.690======================= Grid point 893 (257/343) =======================q-point: ( 0.38 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.942 ( 3.204 0.925 1.999) 3.888 1.980 ( -1.634 0.107 0.398) 1.685 2.324 ( 1.294 -0.944 3.214) 3.591 2.457 ( -0.822 0.976 -2.692) 2.979 2.936 ( -0.938 0.365 4.455) 4.567 3.061 ( -0.962 -1.932 -1.747) 2.777 4.168 ( -3.090 -0.499 0.944) 3.269 4.331 ( -2.415 0.241 -5.944) 6.420 4.841 ( 2.111 0.728 0.239) 2.245 5.249 ( -1.506 3.026 -19.478) 19.769 7.181 ( 0.637 -1.236 7.012) 7.148 7.425 ( -0.539 -1.687 -5.418) 5.700 27.370 ( -0.451 0.092 53.230) 53.232 28.259 ( 2.400 -0.294 14.471) 14.672 28.744 ( 1.470 0.498 -9.019) 9.152 29.569 ( -1.621 0.342 -53.522) 53.547 96.961 ( -1.039 0.373 16.291) 16.328 97.533 ( -0.177 0.009 -12.144) 12.145======================= Grid point 894 (258/343) =======================q-point: (-0.54 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.935 ( -2.886 0.501 1.915) 3.500 1.984 ( 1.572 0.392 -0.245) 1.639 2.331 ( -1.126 -0.467 2.573) 2.847 2.448 ( 0.390 0.537 -2.697) 2.777 2.924 ( -0.184 -0.514 5.084) 5.113 3.065 ( 0.092 -1.861 -1.938) 2.689 4.162 ( 1.916 -0.895 0.552) 2.185 4.309 ( -0.285 -1.285 -6.092) 6.233 4.839 ( -1.828 0.601 -0.542) 1.999 5.191 ( -3.712 -0.385 -18.037) 18.419 7.227 ( 4.391 1.704 6.748) 8.230 7.466 ( 4.672 0.928 -5.389) 7.192 27.366 ( -0.041 -0.176 53.237) 53.238 28.264 ( -2.030 -0.013 14.469) 14.611 28.734 ( -2.286 -0.080 -9.082) 9.366 29.556 ( 0.299 -0.439 -53.536) 53.539 96.948 ( -0.264 -0.401 16.479) 16.486 97.532 ( 0.093 -0.036 -12.484) 12.484======================= Grid point 895 (259/343) =======================q-point: (-0.46 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( -4.191 0.514 4.322) 6.042 2.002 ( 0.469 -0.586 -1.867) 2.012 2.296 ( -2.495 0.211 3.745) 4.505 2.454 ( 0.274 0.065 -3.821) 3.831 2.942 ( 1.312 -1.427 5.775) 6.092 3.084 ( 0.373 -0.929 -1.111) 1.495 4.242 ( 4.932 -1.789 0.842) 5.314 4.343 ( 2.625 -2.566 -3.873) 5.336 4.766 ( -5.403 0.574 -0.428) 5.450 5.118 ( -5.861 -4.434 -18.056) 19.494 7.317 ( 7.738 4.719 7.352) 11.670 7.580 ( 9.241 3.790 -5.858) 11.579 27.372 ( 0.386 -0.555 52.921) 52.925 28.188 ( -5.784 0.313 13.549) 14.735 28.663 ( -5.647 -0.685 -8.784) 10.465 29.584 ( 1.873 -1.298 -53.678) 53.726 96.957 ( 0.577 -1.278 16.210) 16.270 97.537 ( 0.385 -0.104 -12.637) 12.643======================= Grid point 896 (260/343) =======================q-point: (-0.38 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( -3.944 -0.548 7.535) 8.523 2.018 ( 0.599 -1.633 -3.253) 3.688 2.242 ( -3.025 0.209 5.487) 6.269 2.455 ( -0.702 -1.590 -4.609) 4.926 2.986 ( 2.243 -0.643 5.583) 6.051 3.079 ( -0.889 1.269 1.007) 1.848 4.339 ( 2.750 -4.224 3.685) 6.244 4.443 ( 5.749 -1.009 -1.259) 5.971 4.637 ( -7.657 0.853 0.074) 7.705 5.053 ( -6.064 -9.959 -19.520) 22.737 7.445 ( 10.520 6.819 8.415) 15.099 7.744 ( 12.193 6.656 -6.379) 15.286 27.390 ( 1.029 -1.103 52.315) 52.337 28.055 ( -7.832 0.528 12.316) 14.605 28.538 ( -8.257 -0.939 -8.231) 11.696 29.639 ( 2.609 -2.037 -54.247) 54.348 96.988 ( 1.459 -2.131 15.436) 15.651 97.548 ( 0.705 -0.164 -12.578) 12.599======================= Grid point 897 (261/343) =======================q-point: (-0.31 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( -1.854 -2.543 10.799) 11.248 2.049 ( 1.280 -1.537 -2.831) 3.466 2.186 ( -3.330 -1.655 6.005) 7.063 2.452 ( -1.814 -4.316 -5.485) 7.211 3.013 ( -0.114 3.825 5.355) 6.582 3.043 ( 0.206 2.092 3.135) 3.775 4.380 ( -4.515 -5.349 9.100) 11.481 4.497 ( -2.178 0.587 -0.062) 2.256 4.525 ( 0.417 1.061 -0.164) 1.152 5.069 ( -1.541 -15.037 -20.217) 25.243 7.603 ( 11.716 7.352 9.331) 16.684 7.924 ( 12.932 9.106 -6.467) 17.087 27.427 ( 1.892 -1.738 51.508) 51.572 27.901 ( -8.021 0.632 11.146) 13.747 28.376 ( -9.604 -0.753 -7.526) 12.225 29.705 ( 2.609 -2.518 -55.193) 55.312 97.041 ( 2.216 -2.879 14.089) 14.550 97.565 ( 0.967 -0.164 -12.317) 12.356======================= Grid point 898 (262/343) =======================q-point: (-0.23 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 1.258 -4.378 13.036) 13.809 2.062 ( -1.390 -0.375 6.371) 6.532 2.167 ( -0.549 -4.537 -1.245) 4.737 2.454 ( -2.579 -7.717 -6.803) 10.606 2.934 ( -2.277 7.877 7.818) 11.329 3.049 ( 1.419 3.940 2.033) 4.655 4.253 ( -8.937 -1.962 7.682) 11.947 4.462 ( -3.289 0.314 -3.000) 4.463 4.550 ( 1.427 -3.951 8.523) 9.502 5.190 ( 1.924 -14.634 -18.734) 23.850 7.762 ( 10.336 6.106 9.595) 15.368 8.077 ( 10.962 10.766 -5.948) 16.476 27.485 ( 2.689 -2.252 50.843) 50.964 27.759 ( -6.530 0.654 10.115) 12.058 28.203 ( -9.161 -0.284 -6.976) 11.518 29.768 ( 2.090 -2.637 -56.120) 56.220 97.109 ( 2.481 -3.417 12.180) 12.891 97.584 ( 0.988 -0.047 -11.874) 11.915======================= Grid point 899 (263/343) =======================q-point: (-0.15 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( 3.574 -3.200 13.091) 13.943 2.026 ( -3.660 -5.670 13.003) 14.650 2.204 ( 1.098 -1.950 -4.585) 5.102 2.474 ( -2.116 -10.187 -7.697) 12.942 2.833 ( -1.521 9.301 9.777) 13.580 3.030 ( 0.612 6.558 0.215) 6.590 4.126 ( -5.474 -1.310 8.375) 10.091 4.397 ( -3.130 -0.794 -4.983) 5.938 4.607 ( 1.012 -4.614 13.677) 14.470 5.321 ( 1.516 -11.771 -18.023) 21.579 7.884 ( 6.167 3.504 8.860) 11.350 8.161 ( 6.281 11.333 -4.799) 13.817 27.554 ( 2.636 -2.423 51.373) 51.497 27.658 ( -3.692 0.569 9.396) 10.112 28.055 ( -6.306 0.235 -7.659) 9.924 29.817 ( 1.180 -2.346 -56.690) 56.750 97.176 ( 1.776 -3.493 10.073) 10.809 97.600 ( 0.626 0.164 -11.271) 11.289======================= Grid point 900 (264/343) =======================q-point: (-0.08 0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 0.000 1.019 11.657) 11.701 2.054 ( -0.000 -11.375 16.024) 19.651 2.221 ( -0.000 -0.305 -5.057) 5.066 2.518 ( -0.000 -6.587 -4.639) 8.056 2.761 ( 0.000 5.293 7.704) 9.347 2.981 ( 0.000 8.156 -0.927) 8.209 4.081 ( -0.000 -0.925 8.839) 8.887 4.373 ( -0.000 -0.887 -5.337) 5.411 4.647 ( -0.000 -3.677 15.804) 16.226 5.409 ( -0.000 -8.354 -18.252) 20.073 7.929 ( 0.000 0.573 7.129) 7.152 8.140 ( 0.000 10.344 -3.088) 10.796 27.600 ( -0.000 -1.953 53.391) 53.426 27.619 ( 0.000 0.382 8.695) 8.703 27.988 ( 0.000 0.412 -9.336) 9.345 29.843 ( -0.000 -1.694 -56.807) 56.832 97.217 ( -0.000 -2.782 8.679) 9.114 97.604 ( 0.000 0.282 -10.624) 10.628======================= Grid point 903 (265/343) =======================q-point: ( 0.15 0.15 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( 2.302 -0.000 7.596) 7.937 2.022 ( -1.178 0.000 2.371) 2.648 2.256 ( 0.556 -0.000 5.731) 5.758 2.564 ( -2.784 0.000 -6.934) 7.472 2.960 ( 0.382 -0.000 3.193) 3.216 2.974 ( 4.052 -0.000 2.609) 4.820 4.382 ( -6.190 0.000 0.878) 6.252 4.486 ( -3.577 0.000 -0.966) 3.705 4.654 ( 7.981 -0.000 7.898) 11.229 5.392 ( -0.900 0.000 -24.519) 24.536 7.264 ( -8.491 0.000 7.730) 11.483 7.525 ( -7.862 0.000 -4.948) 9.289 27.419 ( -1.990 0.000 52.148) 52.186 28.039 ( 7.960 -0.000 12.504) 14.823 28.567 ( 8.348 -0.000 -7.981) 11.550 29.692 ( -3.608 0.000 -54.210) 54.330 97.048 ( -2.763 0.000 14.321) 14.585 97.550 ( -0.728 0.000 -10.939) 10.963======================= Grid point 904 (266/343) =======================q-point: ( 0.23 0.15 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( 3.446 0.889 4.400) 5.659 2.002 ( -1.158 -0.288 1.210) 1.699 2.277 ( 1.556 -0.272 5.562) 5.782 2.511 ( -2.352 0.855 -4.816) 5.427 2.960 ( -0.352 0.257 3.278) 3.307 3.025 ( 0.758 -1.418 0.088) 1.610 4.256 ( -6.805 -0.270 1.288) 6.931 4.407 ( -4.294 0.356 -3.874) 5.794 4.784 ( 5.737 0.517 3.611) 6.799 5.356 ( -1.993 2.321 -22.635) 22.841 7.163 ( -2.838 -1.075 7.571) 8.157 7.420 ( -3.926 -1.519 -5.327) 6.789 27.388 ( -1.218 0.114 52.869) 52.884 28.172 ( 6.034 -0.152 13.615) 14.893 28.693 ( 5.154 0.280 -8.573) 10.007 29.626 ( -3.293 0.298 -53.656) 53.758 97.001 ( -2.129 0.331 15.484) 15.633 97.539 ( -0.460 0.003 -11.419) 11.428======================= Grid point 905 (267/343) =======================q-point: ( 0.31 0.15 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 2.843 1.055 1.597) 3.427 1.981 ( -1.147 -0.018 0.840) 1.422 2.310 ( 1.293 -0.795 4.346) 4.604 2.470 ( -1.340 0.695 -3.008) 3.366 2.945 ( -0.716 0.923 3.052) 3.268 3.027 ( -1.553 -2.468 -1.137) 3.130 4.160 ( -3.302 -0.507 0.757) 3.426 4.332 ( -3.375 -0.037 -6.558) 7.376 4.852 ( 2.101 0.738 1.287) 2.573 5.288 ( -3.561 2.122 -19.536) 19.971 7.168 ( 2.394 -0.598 6.752) 7.189 7.403 ( 1.068 -1.178 -5.188) 5.427 27.371 ( -0.621 0.040 53.230) 53.233 28.255 ( 2.505 -0.220 14.348) 14.566 28.750 ( 1.215 0.358 -8.867) 8.957 29.572 ( -2.076 0.185 -53.523) 53.563 96.965 ( -1.496 0.215 16.218) 16.289 97.533 ( -0.197 0.001 -12.017) 12.018======================= Grid point 906 (268/343) =======================q-point: ( 0.38 0.15 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.946 ( -2.178 0.866 1.632) 2.856 1.990 ( 0.755 0.372 -0.455) 0.957 2.323 ( -0.545 -0.500 3.359) 3.439 2.457 ( 0.489 0.600 -3.054) 3.151 2.921 ( -1.132 0.266 3.788) 3.962 3.027 ( -0.389 -3.250 -1.376) 3.550 4.149 ( 1.479 -0.904 -0.029) 1.734 4.289 ( -1.622 -1.307 -6.821) 7.132 4.850 ( -1.740 0.856 0.065) 1.940 5.194 ( -5.500 0.588 -16.968) 17.847 7.250 ( 6.435 1.293 6.279) 9.083 7.475 ( 6.330 0.385 -5.125) 8.154 27.364 ( -0.251 -0.147 53.242) 53.243 28.263 ( -1.855 -0.117 14.286) 14.406 28.735 ( -2.654 0.095 -8.916) 9.303 29.551 ( -0.265 -0.327 -53.552) 53.554 96.943 ( -0.810 -0.278 16.550) 16.573 97.531 ( 0.049 -0.033 -12.616) 12.616======================= Grid point 907 (269/343) =======================q-point: (-0.54 0.15 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( -3.896 1.594 3.244) 5.315 1.989 ( -0.818 -1.125 -1.778) 2.257 2.300 ( -1.864 0.378 3.841) 4.287 2.464 ( 0.461 1.231 -4.444) 4.635 2.917 ( 0.375 -1.878 5.429) 5.757 3.055 ( 0.682 -2.874 -1.222) 3.197 4.216 ( 3.913 -1.596 -0.348) 4.241 4.300 ( 1.548 -3.269 -4.831) 6.035 4.778 ( -5.165 0.974 -0.238) 5.261 5.075 ( -7.678 -1.635 -15.582) 17.447 7.380 ( 9.536 3.899 6.770) 12.327 7.627 ( 10.901 2.598 -5.515) 12.490 27.364 ( 0.048 -0.490 52.943) 52.945 28.191 ( -5.627 0.133 13.347) 14.485 28.655 ( -5.908 -0.383 -8.696) 10.520 29.566 ( 1.289 -1.099 -53.688) 53.715 96.940 ( -0.011 -1.032 16.468) 16.500 97.535 ( 0.313 -0.112 -13.091) 13.096======================= Grid point 908 (270/343) =======================q-point: (-0.46 0.15 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( -4.359 1.150 5.844) 7.380 1.986 ( -0.819 -2.700 -3.444) 4.452 2.252 ( -2.796 1.049 5.142) 5.946 2.448 ( -1.487 0.528 -4.540) 4.806 2.961 ( 2.388 -2.553 5.756) 6.735 3.081 ( 0.290 -1.093 0.190) 1.147 4.279 ( 0.879 -3.773 1.875) 4.304 4.412 ( 6.795 -3.452 -2.791) 8.117 4.652 ( -7.206 1.192 -0.031) 7.304 4.940 ( -9.107 -5.301 -15.732) 18.935 7.542 ( 11.698 6.305 8.080) 15.552 7.831 ( 13.751 5.176 -6.150) 15.928 27.374 ( 0.514 -1.072 52.399) 52.412 28.062 ( -7.732 0.391 12.094) 14.360 28.526 ( -8.240 -0.712 -8.258) 11.688 29.610 ( 2.063 -1.949 -54.257) 54.331 96.959 ( 0.852 -1.922 15.934) 16.072 97.545 ( 0.613 -0.229 -13.356) 13.372======================= Grid point 909 (271/343) =======================q-point: (-0.38 0.15 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( -2.933 -0.551 8.965) 9.449 2.006 ( 0.400 -4.183 -5.064) 6.581 2.181 ( -4.066 0.836 6.694) 7.877 2.408 ( -3.120 -1.846 -4.357) 5.668 3.027 ( 2.787 -1.256 4.984) 5.847 3.077 ( -0.221 1.992 2.916) 3.538 4.299 ( -3.209 -5.386 7.003) 9.400 4.510 ( -3.130 1.051 -0.064) 3.303 4.541 ( 0.655 0.483 -1.068) 1.343 4.858 ( -4.681 -13.059 -17.450) 22.292 7.715 ( 12.178 7.848 9.666) 17.416 8.047 ( 14.209 7.741 -6.667) 17.500 27.401 ( 1.249 -1.878 51.747) 51.796 27.910 ( -7.950 0.585 10.965) 13.556 28.366 ( -9.309 -0.643 -7.741) 12.124 29.667 ( 2.147 -2.710 -55.264) 55.372 96.999 ( 1.592 -2.850 14.916) 15.269 97.561 ( 0.883 -0.344 -13.384) 13.418======================= Grid point 910 (272/343) =======================q-point: (-0.31 0.15 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( -0.176 -3.382 11.865) 12.339 2.055 ( 0.533 -2.226 -1.514) 2.744 2.100 ( -3.512 -3.025 3.868) 6.037 2.363 ( -4.103 -4.626 -5.027) 7.969 3.033 ( -0.708 5.106 5.946) 7.869 3.086 ( 2.352 1.393 3.810) 4.689 4.215 ( -7.996 -3.172 8.226) 11.902 4.463 ( -3.307 -0.305 -0.845) 3.427 4.507 ( -1.558 -1.624 2.001) 3.012 4.964 ( 2.467 -15.872 -15.730) 22.482 7.869 ( 10.259 8.198 10.946) 17.095 8.230 ( 11.861 9.906 -6.910) 16.928 27.448 ( 2.030 -2.738 51.325) 51.438 27.769 ( -6.484 0.710 10.046) 11.978 28.199 ( -8.690 -0.201 -7.453) 11.450 29.725 ( 1.763 -3.222 -56.301) 56.421 97.056 ( 1.890 -3.724 13.435) 14.069 97.581 ( 0.956 -0.376 -13.185) 13.225======================= Grid point 911 (273/343) =======================q-point: (-0.23 0.15 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.761 ( 2.751 -6.598 13.745) 15.493 1.986 ( -5.007 -0.108 10.390) 11.534 2.162 ( 3.005 -4.587 -5.723) 7.926 2.330 ( -4.155 -8.465 -6.955) 11.717 2.969 ( -0.621 8.562 8.577) 12.135 3.103 ( 1.210 3.434 2.274) 4.292 4.101 ( -5.383 -1.999 8.462) 10.226 4.383 ( -3.996 -1.173 -5.139) 6.615 4.537 ( 0.632 -4.671 10.135) 11.178 5.123 ( 2.016 -14.952 -15.506) 21.635 7.965 ( 5.924 7.337 11.376) 14.776 8.329 ( 6.775 11.426 -6.773) 14.910 27.511 ( 2.107 -3.399 51.919) 52.073 27.668 ( -3.698 0.741 9.360) 10.092 28.060 ( -5.820 0.415 -8.130) 10.007 29.775 ( 1.024 -3.347 -56.958) 57.065 97.117 ( 1.391 -4.337 11.721) 12.575 97.599 ( 0.649 -0.246 -12.747) 12.766======================= Grid point 912 (274/343) =======================q-point: (-0.15 0.15 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( -0.000 -11.566 15.296) 19.176 1.907 ( 0.000 1.934 10.943) 11.112 2.214 ( -0.000 -0.658 -4.330) 4.380 2.364 ( -0.000 -12.519 -8.952) 15.391 2.893 ( 0.000 10.276 10.068) 14.386 3.081 ( 0.000 5.403 0.886) 5.475 4.062 ( -0.000 -1.644 8.775) 8.928 4.355 ( -0.000 -1.585 -5.429) 5.656 4.580 ( -0.000 -5.184 13.025) 14.019 5.245 ( -0.000 -13.583 -16.372) 21.273 7.975 ( 0.000 5.564 10.614) 11.984 8.307 ( 0.000 12.069 -6.061) 13.505 27.560 ( -0.000 -3.428 53.440) 53.550 27.627 ( 0.000 0.676 8.728) 8.754 27.997 ( 0.000 0.729 -9.340) 9.369 29.809 ( -0.000 -3.030 -57.066) 57.146 97.163 ( -0.000 -4.336 10.357) 11.228 97.607 ( 0.000 0.004 -12.055) 12.055======================= Grid point 917 (275/343) =======================q-point: ( 0.23 0.23 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 2.843 -0.000 1.094) 3.046 1.980 ( -1.101 0.000 1.323) 1.721 2.304 ( 1.306 -0.000 4.866) 5.039 2.475 ( -1.600 0.000 -3.131) 3.516 2.957 ( -0.045 0.000 2.164) 2.165 3.004 ( -2.317 0.000 -0.630) 2.401 4.156 ( -3.343 0.000 0.660) 3.407 4.332 ( -3.728 0.000 -6.851) 7.800 4.858 ( 2.066 -0.000 1.743) 2.704 5.304 ( -4.326 0.000 -19.502) 19.976 7.163 ( 3.021 -0.000 6.594) 7.253 7.394 ( 1.688 -0.000 -5.062) 5.336 27.371 ( -0.683 0.000 53.230) 53.234 28.253 ( 2.539 -0.000 14.290) 14.514 28.753 ( 1.127 -0.000 -8.799) 8.871 29.574 ( -2.241 0.000 -53.524) 53.571 96.966 ( -1.662 0.000 16.191) 16.276 97.533 ( -0.203 0.000 -11.969) 11.971======================= Grid point 918 (276/343) =======================q-point: ( 0.31 0.23 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( -1.418 0.457 1.423) 2.060 1.994 ( -0.210 0.124 -0.528) 0.582 2.318 ( 0.049 -0.179 3.978) 3.983 2.463 ( 0.628 0.202 -3.198) 3.265 2.936 ( -2.147 1.753 1.693) 3.248 2.979 ( -0.416 -3.088 -0.045) 3.116 4.139 ( 1.321 -0.357 -0.425) 1.433 4.275 ( -2.455 -0.553 -7.288) 7.710 4.860 ( -1.727 0.404 0.563) 1.861 5.202 ( -6.399 0.359 -16.303) 17.518 7.263 ( 7.547 0.490 5.920) 9.604 7.478 ( 7.267 0.079 -4.906) 8.768 27.362 ( -0.369 -0.058 53.245) 53.246 28.261 ( -1.756 -0.064 14.135) 14.244 28.736 ( -2.862 0.065 -8.772) 9.227 29.547 ( -0.584 -0.121 -53.565) 53.568 96.941 ( -1.115 -0.099 16.588) 16.626 97.531 ( 0.021 -0.013 -12.687) 12.687======================= Grid point 919 (277/343) =======================q-point: (-0.62 0.23 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( -3.234 2.041 1.979) 4.306 1.969 ( -2.295 -1.595 -0.940) 2.949 2.307 ( -1.152 0.464 3.953) 4.143 2.484 ( 1.275 1.212 -5.146) 5.438 2.895 ( -1.159 -0.952 4.299) 4.553 3.009 ( 0.927 -3.089 -0.881) 3.343 4.200 ( 3.958 -0.592 -1.396) 4.238 4.256 ( -0.166 -2.515 -5.259) 5.832 4.791 ( -5.056 0.759 0.188) 5.116 5.063 ( -8.449 -0.240 -13.909) 16.276 7.425 ( 10.757 2.209 6.245) 12.633 7.654 ( 11.967 1.265 -5.132) 13.083 27.358 ( -0.191 -0.289 52.957) 52.958 28.192 ( -5.498 0.022 13.130) 14.234 28.651 ( -6.114 -0.139 -8.557) 10.518 29.553 ( 0.874 -0.630 -53.698) 53.708 96.928 ( -0.414 -0.573 16.639) 16.654 97.534 ( 0.250 -0.073 -13.399) 13.402======================= Grid point 920 (278/343) =======================q-point: (-0.54 0.23 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( -4.457 2.304 3.698) 6.233 1.944 ( -2.142 -2.999 -2.337) 4.364 2.270 ( -2.190 1.314 4.775) 5.415 2.466 ( -2.049 1.819 -4.994) 5.697 2.920 ( 2.188 -2.813 5.269) 6.361 3.050 ( 1.069 -2.854 -0.725) 3.133 4.235 ( -0.329 -2.252 -0.190) 2.284 4.352 ( 6.465 -4.169 -3.538) 8.467 4.669 ( -7.042 1.101 0.366) 7.137 4.895 ( -10.208 -1.429 -12.441) 16.157 7.621 ( 12.661 4.428 7.600) 15.417 7.891 ( 14.826 3.139 -5.654) 16.175 27.360 ( 0.088 -0.781 52.459) 52.465 28.067 ( -7.625 0.211 11.836) 14.081 28.518 ( -8.250 -0.397 -8.205) 11.643 29.585 ( 1.609 -1.400 -54.262) 54.304 96.935 ( 0.387 -1.319 16.302) 16.360 97.542 ( 0.507 -0.201 -13.955) 13.966======================= Grid point 921 (279/343) =======================q-point: (-0.46 0.23 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.724 ( -3.663 1.442 6.122) 7.279 1.939 ( -1.097 -4.632 -4.302) 6.416 2.203 ( -3.729 2.022 5.841) 7.219 2.395 ( -4.422 -0.090 -3.461) 5.616 2.996 ( 3.310 -2.572 4.623) 6.240 3.085 ( 1.113 -1.008 1.161) 1.898 4.232 ( -2.875 -3.819 4.429) 6.516 4.506 ( 4.389 -3.311 -2.835) 6.186 4.538 ( -4.381 0.430 0.339) 4.415 4.722 ( -9.567 -5.123 -12.859) 16.827 7.821 ( 12.748 6.462 9.515) 17.170 8.143 ( 15.094 5.328 -6.227) 17.175 27.375 ( 0.643 -1.585 51.938) 51.966 27.918 ( -7.867 0.420 10.718) 13.302 28.358 ( -9.043 -0.411 -7.858) 11.987 29.630 ( 1.707 -2.275 -55.319) 55.392 96.962 ( 1.086 -2.232 15.569) 15.765 97.556 ( 0.746 -0.390 -14.273) 14.298======================= Grid point 922 (280/343) =======================q-point: (-0.38 0.23 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( -1.650 -0.725 8.877) 9.058 1.976 ( 0.688 -6.671 -6.159) 9.105 2.106 ( -4.869 2.082 7.207) 8.943 2.316 ( -4.928 -2.270 -3.092) 6.245 3.059 ( 1.491 -0.902 4.258) 4.600 3.110 ( 2.047 1.511 3.724) 4.510 4.167 ( -6.597 -3.250 7.486) 10.494 4.457 ( -2.943 -0.307 0.875) 3.085 4.497 ( -5.615 -0.360 -2.994) 6.374 4.752 ( 3.411 -12.770 -11.708) 17.658 7.988 ( 10.474 7.895 11.358) 17.351 8.356 ( 12.439 7.447 -6.749) 15.992 27.409 ( 1.336 -2.611 51.739) 51.822 27.779 ( -6.419 0.613 9.870) 11.790 28.197 ( -8.209 -0.063 -7.806) 11.328 29.679 ( 1.411 -3.075 -56.473) 56.575 97.005 ( 1.393 -3.209 14.488) 14.904 97.574 ( 0.831 -0.580 -14.337) 14.372======================= Grid point 923 (281/343) =======================q-point: (-0.31 0.23 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( 0.538 -4.306 11.370) 12.170 2.004 ( -4.139 2.132 8.738) 9.902 2.061 ( 2.472 -8.652 -7.440) 11.676 2.248 ( -4.522 -3.380 -3.630) 6.712 3.060 ( 0.110 3.529 6.043) 6.999 3.137 ( 1.669 1.785 3.801) 4.519 4.070 ( -5.034 -2.256 8.350) 10.008 4.364 ( -4.968 -1.407 -5.475) 7.526 4.480 ( 0.058 -3.030 6.552) 7.219 4.910 ( 2.559 -13.816 -12.096) 18.541 8.083 ( 5.929 8.508 12.523) 16.259 8.480 ( 7.064 9.283 -7.160) 13.687 27.459 ( 1.499 -3.615 52.398) 52.544 27.679 ( -3.656 0.759 9.232) 9.958 28.067 ( -5.310 0.522 -8.494) 10.031 29.724 ( 0.833 -3.602 -57.252) 57.371 97.055 ( 1.046 -4.082 13.230) 13.885 97.593 ( 0.590 -0.654 -14.129) 14.156======================= Grid point 924 (282/343) =======================q-point: (-0.23 0.23 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( -0.000 -8.066 13.203) 15.472 1.940 ( 0.000 2.652 9.800) 10.153 2.182 ( -0.000 -12.220 -9.185) 15.287 2.202 ( -0.000 -1.092 -3.153) 3.337 3.022 ( 0.000 6.892 7.828) 10.430 3.137 ( 0.000 2.558 2.995) 3.939 4.036 ( -0.000 -1.995 8.676) 8.902 4.329 ( -0.000 -1.937 -5.562) 5.889 4.509 ( -0.000 -4.284 9.386) 10.318 5.037 ( -0.000 -14.530 -13.508) 19.839 8.078 ( 0.000 8.265 12.550) 15.027 8.475 ( 0.000 10.712 -7.241) 12.930 27.505 ( -0.000 -4.086 53.451) 53.607 27.638 ( 0.000 0.815 8.774) 8.812 28.009 ( 0.000 0.878 -9.345) 9.387 29.759 ( -0.000 -3.704 -57.402) 57.522 97.098 ( -0.000 -4.557 12.153) 12.979 97.603 ( -0.000 -0.517 -13.591) 13.601======================= Grid point 931 (283/343) =======================q-point: (-0.69 0.31 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( -1.840 0.000 1.030) 2.109 1.950 ( -3.997 0.000 -0.068) 3.998 2.310 ( -0.864 0.000 3.978) 4.070 2.493 ( 1.826 -0.000 -5.419) 5.719 2.889 ( -2.212 0.000 3.428) 4.079 2.983 ( 1.229 -0.000 -0.424) 1.301 4.196 ( 4.717 -0.000 -1.727) 5.023 4.236 ( -1.534 0.000 -5.383) 5.597 4.797 ( -5.030 0.000 0.368) 5.043 5.062 ( -8.648 0.000 -13.352) 15.908 7.442 ( 11.189 -0.000 6.033) 12.712 7.663 ( 12.332 -0.000 -4.966) 13.295 27.356 ( -0.277 0.000 52.961) 52.962 28.192 ( -5.448 0.000 13.036) 14.129 28.650 ( -6.192 0.000 -8.490) 10.508 29.549 ( 0.724 -0.000 -53.702) 53.707 96.924 ( -0.557 0.000 16.698) 16.708 97.533 ( 0.225 -0.000 -13.508) 13.510======================= Grid point 933 (284/343) =======================q-point: (-0.62 0.31 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.852 ( -4.569 2.408 1.539) 5.389 1.902 ( -2.715 -2.563 -0.623) 3.786 2.285 ( -1.739 0.616 4.628) 4.982 2.490 ( -2.421 1.094 -5.485) 6.094 2.890 ( 2.163 -1.134 4.554) 5.168 3.012 ( 1.258 -1.752 -1.189) 2.463 4.214 ( -1.204 -0.720 -1.576) 2.110 4.307 ( 6.170 -1.722 -3.149) 7.138 4.681 ( -6.997 0.451 0.624) 7.039 4.885 ( -10.333 -0.168 -10.916) 15.032 7.665 ( 13.201 1.597 7.256) 15.148 7.921 ( 15.366 1.032 -5.266) 16.276 27.353 ( -0.152 -0.287 52.488) 52.489 28.068 ( -7.554 0.062 11.659) 13.892 28.514 ( -8.267 -0.121 -8.142) 11.604 29.571 ( 1.351 -0.509 -54.264) 54.283 96.922 ( 0.138 -0.468 16.495) 16.502 97.540 ( 0.437 -0.079 -14.277) 14.284======================= Grid point 934 (285/343) =======================q-point: (-0.54 0.31 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( -3.969 2.357 3.127) 5.576 1.878 ( -2.127 -3.706 -2.623) 5.014 2.232 ( -3.104 1.777 5.175) 6.291 2.399 ( -5.995 0.377 -2.626) 6.556 2.966 ( 4.222 -1.255 3.395) 5.561 3.055 ( 1.605 -2.675 -0.434) 3.149 4.190 ( -2.835 -2.000 2.891) 4.516 4.441 ( 5.673 -3.995 -4.832) 8.455 4.549 ( -6.084 0.711 0.940) 6.197 4.690 ( -10.477 -0.476 -8.745) 13.655 7.895 ( 13.191 3.645 9.204) 16.492 8.200 ( 15.599 2.637 -5.639) 16.795 27.357 ( 0.212 -0.907 52.048) 52.057 27.922 ( -7.795 0.212 10.502) 13.080 28.354 ( -8.868 -0.183 -7.888) 11.870 29.603 ( 1.394 -1.297 -55.352) 55.385 96.936 ( 0.766 -1.215 15.971) 16.036 97.551 ( 0.623 -0.255 -14.847) 14.863======================= Grid point 935 (286/343) =======================q-point: (-0.46 0.31 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( -2.482 1.599 5.131) 5.919 1.884 ( -0.721 -5.730 -4.782) 7.498 2.143 ( -4.451 2.880 5.797) 7.855 2.289 ( -5.893 -1.632 -1.161) 6.224 3.040 ( 2.599 -1.008 3.220) 4.259 3.109 ( 2.434 -1.560 1.535) 3.273 4.126 ( -5.606 -2.302 6.472) 8.866 4.455 ( -4.225 -0.220 -0.806) 4.307 4.484 ( -6.465 -1.615 -4.583) 8.087 4.613 ( 3.611 -5.933 -6.373) 9.426 8.087 ( 10.753 5.639 11.240) 16.545 8.442 ( 12.763 4.441 -6.051) 14.806 27.376 ( 0.764 -1.872 51.990) 52.029 27.786 ( -6.343 0.409 9.684) 11.584 28.197 ( -7.834 0.023 -7.998) 11.196 29.640 ( 1.116 -2.204 -56.602) 56.655 96.966 ( 1.053 -2.134 15.197) 15.382 97.566 ( 0.683 -0.512 -15.153) 15.177======================= Grid point 936 (287/343) =======================q-point: (-0.38 0.31 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( -0.750 -0.560 7.464) 7.522 1.936 ( 0.752 -8.186 -6.748) 10.635 2.042 ( -3.624 3.005 6.995) 8.432 2.211 ( -4.002 -2.258 -1.208) 4.751 3.077 ( 0.915 -0.302 4.338) 4.444 3.156 ( 1.806 0.360 2.798) 3.350 4.039 ( -4.577 -1.928 8.066) 9.472 4.343 ( -5.614 -1.487 -6.033) 8.374 4.449 ( -0.450 -1.380 4.103) 4.352 4.738 ( 2.772 -9.539 -8.297) 12.943 8.199 ( 6.042 7.236 12.741) 15.849 8.593 ( 7.210 6.213 -6.544) 11.551 27.411 ( 0.964 -3.002 52.643) 52.737 27.689 ( -3.586 0.619 9.130) 9.829 28.074 ( -4.898 0.480 -8.704) 9.999 29.675 ( 0.650 -3.021 -57.504) 57.587 97.003 ( 0.794 -3.079 14.321) 14.670 97.582 ( 0.488 -0.753 -15.166) 15.193======================= Grid point 937 (288/343) =======================q-point: (-0.31 0.31 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( -0.000 -3.392 9.689) 10.265 1.982 ( 0.000 3.101 8.291) 8.852 2.017 ( -0.000 -10.446 -8.382) 13.393 2.182 ( -0.000 -1.608 -1.584) 2.257 3.081 ( 0.000 1.419 5.460) 5.641 3.166 ( 0.000 1.522 3.420) 3.744 4.007 ( -0.000 -1.889 8.556) 8.762 4.301 ( -0.000 -1.851 -5.706) 5.999 4.460 ( -0.000 -2.441 6.128) 6.596 4.843 ( -0.000 -11.837 -10.079) 15.547 8.200 ( 0.000 8.214 13.229) 15.572 8.610 ( 0.000 7.886 -7.002) 10.545 27.447 ( -0.000 -3.805 53.394) 53.530 27.650 ( 0.000 0.768 8.824) 8.857 28.021 ( 0.000 0.827 -9.351) 9.387 29.706 ( -0.000 -3.534 -57.728) 57.836 97.036 ( -0.000 -3.819 13.577) 14.104 97.593 ( -0.000 -0.822 -14.837) 14.859======================= Grid point 946 (289/343) =======================q-point: (-0.62 0.38 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( -4.127 0.000 1.293) 4.325 1.845 ( -2.391 0.000 -1.261) 2.703 2.247 ( -2.700 0.000 4.950) 5.638 2.402 ( -6.884 0.000 -2.192) 7.225 2.960 ( 5.102 -0.000 2.602) 5.727 3.030 ( 1.325 -0.000 -1.027) 1.676 4.175 ( -2.842 0.000 2.436) 3.743 4.411 ( 5.274 -0.000 -4.850) 7.165 4.554 ( -6.271 0.000 1.034) 6.356 4.689 ( -10.311 0.000 -7.779) 12.916 7.922 ( 13.357 -0.000 9.052) 16.135 8.219 ( 15.761 -0.000 -5.376) 16.652 27.350 ( 0.057 -0.000 52.083) 52.083 27.924 ( -7.765 0.000 10.417) 12.993 28.353 ( -8.808 0.000 -7.889) 11.824 29.594 ( 1.280 -0.000 -55.363) 55.378 96.927 ( 0.657 -0.000 16.106) 16.119 97.549 ( 0.575 -0.000 -15.045) 15.056======================= Grid point 948 (290/343) =======================q-point: (-0.54 0.38 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( -2.646 1.845 1.894) 3.741 1.817 ( -1.615 -3.075 -2.932) 4.546 2.182 ( -3.658 1.939 4.596) 6.186 2.267 ( -7.255 -1.258 0.580) 7.386 3.041 ( 3.078 1.287 1.480) 3.650 3.074 ( 2.893 -2.847 0.564) 4.098 4.103 ( -5.133 -0.836 5.994) 7.936 4.441 ( -5.640 -1.234 -8.053) 9.908 4.467 ( -3.128 -0.254 1.114) 3.330 4.570 ( 0.740 -0.933 -3.268) 3.478 8.144 ( 10.936 2.047 11.025) 15.663 8.485 ( 12.899 1.449 -5.474) 14.088 27.357 ( 0.445 -0.679 52.095) 52.101 27.790 ( -6.292 0.143 9.570) 11.454 28.198 ( -7.634 0.021 -8.072) 11.111 29.617 ( 0.949 -0.800 -56.669) 56.682 96.945 ( 0.883 -0.745 15.543) 15.586 97.561 ( 0.587 -0.202 -15.569) 15.581======================= Grid point 949 (291/343) =======================q-point: (-0.46 0.38 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 1014Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( -1.199 1.993 3.330) 4.062 1.832 ( -0.322 -5.921 -4.958) 7.730 2.088 ( -3.565 3.294 5.255) 7.153 2.176 ( -3.957 -2.565 1.008) 4.823 3.073 ( 1.233 0.133 2.734) 3.002 3.144 ( 2.189 -1.713 1.294) 3.066 4.016 ( -4.216 -1.111 7.855) 8.984 4.323 ( -5.604 -1.073 -6.498) 8.648 4.436 ( -0.746 -0.440 2.876) 3.004 4.638 ( 2.414 -4.402 -5.268) 7.277 8.284 ( 6.158 4.142 12.555) 14.584 8.659 ( 7.266 3.019 -5.702) 9.717 27.376 ( 0.608 -1.696 52.721) 52.752 27.696 ( -3.524 0.347 9.072) 9.739 28.080 ( -4.639 0.287 -8.802) 9.954 29.640 ( 0.520 -1.720 -57.669) 57.697 96.968 ( 0.648 -1.639 14.947) 15.050 97.573 ( 0.400 -0.490 -15.789) 15.802======================= Grid point 950 (292/343) =======================q-point: (-0.38 0.38 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 0.000 0.663 5.383) 5.424 1.883 ( -0.000 -8.051 -6.660) 10.449 2.029 ( 0.000 3.227 6.496) 7.254 2.155 ( -0.000 -2.154 0.281) 2.172 3.085 ( -0.000 -0.140 3.919) 3.921 3.173 ( -0.000 -0.662 1.899) 2.011 3.983 ( -0.000 -1.345 8.443) 8.550 4.278 ( -0.000 -1.329 -5.829) 5.979 4.436 ( -0.000 -1.014 4.012) 4.138 4.704 ( -0.000 -7.172 -6.832) 9.905 8.305 ( 0.000 5.950 13.196) 14.475 8.701 ( 0.000 4.627 -6.116) 7.669 27.399 ( -0.000 -2.675 53.300) 53.367 27.659 ( 0.000 0.544 8.864) 8.881 28.032 ( 0.000 0.586 -9.355) 9.374 29.661 ( -0.000 -2.532 -57.976) 58.031 96.990 ( -0.000 -2.494 14.491) 14.704 97.581 ( -0.000 -0.723 -15.668) 15.684======================= Grid point 961 (293/343) =======================q-point: (-0.54 0.46 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( -1.139 0.000 0.910) 1.458 1.781 ( -0.843 0.000 -3.375) 3.479 2.133 ( -2.438 0.000 3.408) 4.190 2.137 ( -5.147 0.000 3.033) 5.974 3.078 ( 0.990 -0.000 1.563) 1.850 3.125 ( 2.711 -0.000 1.091) 2.922 4.008 ( -4.078 0.000 7.795) 8.797 4.315 ( -5.437 0.000 -6.631) 8.575 4.434 ( -0.842 0.000 2.519) 2.656 4.607 ( 2.107 -0.000 -4.162) 4.665 8.314 ( 6.206 -0.000 12.425) 13.889 8.681 ( 7.277 -0.000 -5.325) 9.018 27.363 ( 0.484 -0.000 52.734) 52.736 27.699 ( -3.500 0.000 9.054) 9.707 28.082 ( -4.553 0.000 -8.829) 9.933 29.628 ( 0.472 -0.000 -57.727) 57.729 96.957 ( 0.600 -0.000 15.148) 15.160 97.569 ( 0.365 -0.000 -15.995) 16.000======================= Grid point 963 (294/343) =======================q-point: (-0.46 0.46 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 546Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 0.000 2.060 1.513) 2.556 1.790 ( -0.000 -4.277 -4.341) 6.094 2.073 ( 0.000 2.800 4.542) 5.336 2.121 ( -0.000 -2.410 2.283) 3.320 3.087 ( 0.000 0.315 2.431) 2.451 3.155 ( -0.000 -1.167 1.076) 1.587 3.970 ( -0.000 -0.487 8.374) 8.388 4.264 ( -0.000 -0.483 -5.900) 5.920 4.428 ( -0.000 -0.251 3.049) 3.059 4.636 ( -0.000 -2.305 -4.843) 5.364 8.365 ( 0.000 2.174 12.988) 13.169 8.745 ( 0.000 1.495 -5.395) 5.598 27.372 ( -0.000 -0.961 53.230) 53.239 27.665 ( 0.000 0.196 8.887) 8.889 28.037 ( 0.000 0.211 -9.358) 9.360 29.635 ( -0.000 -0.919 -58.108) 58.115 96.966 ( -0.000 -0.862 14.923) 14.948 97.573 ( -0.000 -0.284 -16.075) 16.078======================= Grid point 1050 (295/343) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 0.000 0.000 -8.709) 8.709 2.083 ( 0.000 0.000 8.709) 8.709 2.431 ( 0.000 0.000 -11.451) 11.451 2.431 ( 0.000 0.000 11.451) 11.451 2.834 ( 0.000 0.000 -5.110) 5.110 2.834 ( 0.000 0.000 5.110) 5.110 4.252 ( 0.000 0.000 -7.438) 7.438 4.252 ( 0.000 0.000 7.438) 7.438 5.063 ( 0.000 0.000 -21.069) 21.069 5.063 ( 0.000 0.000 21.069) 21.069 8.014 ( 0.000 0.000 -3.027) 3.027 8.014 ( 0.000 0.000 3.027) 3.027 27.798 ( 0.000 0.000 -9.391) 9.391 27.798 ( 0.000 0.000 9.391) 9.391 28.718 ( 0.000 0.000 -56.898) 56.898 28.718 ( 0.000 0.000 56.898) 56.898 97.409 ( 0.000 0.000 -9.207) 9.207 97.409 ( 0.000 0.000 9.207) 9.207======================= Grid point 1052 (296/343) =======================q-point: ( 0.08 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.064 ( -1.909 0.215 -8.351) 8.569 2.064 ( -1.909 0.215 8.351) 8.569 2.414 ( 0.931 6.266 -11.419) 13.059 2.414 ( 0.931 6.266 11.419) 13.059 2.871 ( 1.449 -5.536 -5.208) 7.737 2.871 ( 1.449 -5.536 5.208) 7.737 4.289 ( 3.957 0.356 -6.733) 7.818 4.289 ( 3.957 0.356 6.733) 7.818 5.032 ( -1.980 3.379 -20.852) 21.216 5.032 ( -1.980 3.379 20.852) 21.216 7.965 ( -6.225 -2.912 -4.170) 8.039 7.965 ( -6.225 -2.912 4.170) 8.039 27.835 ( 3.908 -0.185 -9.031) 9.842 27.835 ( 3.908 -0.185 9.031) 9.842 28.709 ( -0.577 0.923 -56.244) 56.255 28.709 ( -0.577 0.923 56.244) 56.255 97.398 ( -0.963 0.586 -9.695) 9.760 97.398 ( -0.963 0.586 9.695) 9.760======================= Grid point 1054 (297/343) =======================q-point: ( 0.15 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.017 ( -2.242 1.494 -7.978) 8.421 2.017 ( -2.242 1.494 7.978) 8.421 2.388 ( 1.306 6.202 -10.241) 12.044 2.388 ( 1.306 6.202 10.241) 12.044 2.948 ( 1.815 -6.163 -3.841) 7.485 2.948 ( 1.815 -6.163 3.841) 7.485 4.382 ( 5.600 -0.022 -4.395) 7.118 4.382 ( 5.600 -0.022 4.395) 7.118 4.945 ( -3.255 6.591 -20.337) 21.624 4.945 ( -3.255 6.591 20.337) 21.624 7.836 ( -10.467 -5.262 -6.019) 13.171 7.836 ( -10.467 -5.262 6.019) 13.171 27.938 ( 6.681 -0.258 -7.555) 10.089 27.938 ( 6.681 -0.258 7.555) 10.089 28.686 ( -0.864 1.575 -53.955) 53.985 28.686 ( -0.864 1.575 53.955) 53.985 97.368 ( -1.488 0.992 -10.870) 11.016 97.368 ( -1.488 0.992 10.870) 11.016======================= Grid point 1056 (298/343) =======================q-point: ( 0.23 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( -1.060 2.249 -7.485) 7.887 1.970 ( -1.060 2.249 7.485) 7.887 2.374 ( 1.096 3.741 -8.435) 9.292 2.374 ( 1.096 3.741 8.435) 9.292 3.015 ( 1.104 -4.371 -1.465) 4.740 3.015 ( 1.104 -4.371 1.465) 4.740 4.468 ( 2.041 -1.193 -0.681) 2.460 4.468 ( 2.041 -1.193 0.681) 2.460 4.838 ( -1.082 8.949 -19.877) 21.825 4.838 ( -1.082 8.949 19.877) 21.825 7.669 ( -11.655 -6.459 -7.207) 15.149 7.669 ( -11.655 -6.459 7.207) 15.149 28.076 ( 7.722 -0.263 -4.211) 8.800 28.076 ( 7.722 -0.263 4.211) 8.800 28.657 ( -0.833 1.866 -49.132) 49.174 28.657 ( -0.833 1.866 49.132) 49.174 97.332 ( -1.480 1.140 -12.205) 12.347 97.332 ( -1.480 1.140 12.205) 12.347======================= Grid point 1058 (299/343) =======================q-point: ( 0.31 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 0.401 1.789 -6.033) 6.306 1.950 ( 0.401 1.789 6.033) 6.306 2.373 ( 0.886 1.735 -6.483) 6.770 2.373 ( 0.886 1.735 6.483) 6.770 3.047 ( -0.230 -2.156 -1.669) 2.736 3.047 ( -0.230 -2.156 1.669) 2.736 4.435 ( -5.644 0.168 -2.331) 6.109 4.435 ( -5.644 0.168 2.331) 6.109 4.818 ( 4.846 6.803 -15.882) 17.944 4.818 ( 4.846 6.803 15.882) 17.944 7.511 ( -10.000 -6.106 -7.369) 13.842 7.511 ( -10.000 -6.106 7.369) 13.842 28.218 ( 7.126 -0.369 -6.071) 9.369 28.218 ( 7.126 -0.369 6.071) 9.369 28.629 ( -0.754 1.893 -40.632) 40.683 28.629 ( -0.754 1.893 40.632) 40.683 97.299 ( -1.134 1.035 -13.352) 13.440 97.299 ( -1.134 1.035 13.352) 13.440======================= Grid point 1060 (300/343) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 1.036 0.850 -3.761) 3.992 1.955 ( 1.036 0.850 3.761) 3.992 2.381 ( 0.808 0.656 -4.504) 4.622 2.381 ( 0.808 0.656 4.504) 4.622 3.041 ( -1.251 -0.532 -3.223) 3.498 3.041 ( -1.251 -0.532 3.223) 3.498 4.310 ( -5.963 1.246 -3.215) 6.888 4.310 ( -5.963 1.246 3.215) 6.888 4.877 ( 4.567 3.362 -11.338) 12.677 4.877 ( 4.567 3.362 11.338) 12.677 7.394 ( -6.529 -4.294 -6.772) 10.340 7.394 ( -6.529 -4.294 6.772) 10.340 28.339 ( 5.364 -0.620 -19.629) 20.358 28.339 ( 5.364 -0.620 19.629) 20.358 28.601 ( -0.908 1.708 -28.131) 28.198 28.601 ( -0.908 1.708 28.131) 28.198 97.276 ( -0.677 0.720 -14.166) 14.200 97.276 ( -0.677 0.720 14.166) 14.200======================= Grid point 1062 (301/343) =======================q-point: ( 0.46 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 0.519 0.193 -1.247) 1.365 1.968 ( 0.519 0.193 1.247) 1.365 2.390 ( 0.401 0.163 -3.035) 3.066 2.390 ( 0.401 0.163 3.035) 3.066 3.021 ( -0.778 0.018 -3.678) 3.760 3.021 ( -0.778 0.018 3.678) 3.760 4.223 ( -2.308 0.549 -4.142) 4.773 4.223 ( -2.308 0.549 4.142) 4.773 4.921 ( 1.677 1.019 -9.503) 9.704 4.921 ( 1.677 1.019 9.503) 9.704 7.333 ( -2.245 -1.535 -6.110) 6.688 7.333 ( -2.245 -1.535 6.110) 6.688 28.419 ( 2.362 -0.518 -40.269) 40.341 28.419 ( 2.362 -0.518 40.269) 40.341 28.573 ( -0.766 0.912 -20.039) 20.074 28.573 ( -0.766 0.912 20.039) 20.074 97.264 ( -0.222 0.258 -14.588) 14.592 97.264 ( -0.222 0.258 14.588) 14.592======================= Grid point 1078 (302/343) =======================q-point: ( 0.08 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( -2.051 0.000 -7.622) 7.894 2.027 ( -2.051 0.000 7.622) 7.894 2.441 ( -0.274 0.000 -10.979) 10.982 2.441 ( -0.274 0.000 10.979) 10.982 2.895 ( 3.035 -0.000 -3.772) 4.842 2.895 ( 3.035 -0.000 3.772) 4.842 4.381 ( 5.233 -0.000 -4.214) 6.719 4.381 ( 5.233 -0.000 4.214) 6.719 4.995 ( -3.157 0.000 -21.351) 21.583 4.995 ( -3.157 0.000 21.351) 21.583 7.796 ( -10.317 0.000 -4.745) 11.356 7.796 ( -10.317 0.000 4.745) 11.356 27.936 ( 6.722 -0.000 -7.551) 10.110 27.936 ( 6.722 -0.000 7.551) 10.110 28.697 ( -0.967 0.000 -53.942) 53.951 28.697 ( -0.967 0.000 53.942) 53.951 97.375 ( -1.557 0.000 -10.458) 10.573 97.375 ( -1.557 0.000 10.458) 10.573======================= Grid point 1080 (303/343) =======================q-point: ( 0.15 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( -1.286 0.757 -6.682) 6.847 1.992 ( -1.286 0.757 6.682) 6.847 2.421 ( -0.621 2.072 -9.683) 9.922 2.421 ( -0.621 2.072 9.683) 9.922 2.962 ( 2.680 -2.297 -1.731) 3.931 2.962 ( 2.680 -2.297 1.731) 3.931 4.456 ( 1.772 -0.436 -0.286) 1.848 4.456 ( 1.772 -0.436 0.286) 1.848 4.931 ( -1.656 3.453 -21.562) 21.899 4.931 ( -1.656 3.453 21.562) 21.899 7.602 ( -11.083 -2.492 -6.185) 12.934 7.602 ( -11.083 -2.492 6.185) 12.934 28.074 ( 7.747 -0.094 -3.838) 8.646 28.074 ( 7.747 -0.094 3.838) 8.646 28.676 ( -1.035 0.673 -49.099) 49.115 28.676 ( -1.035 0.673 49.099) 49.115 97.343 ( -1.638 0.413 -11.633) 11.755 97.343 ( -1.638 0.413 11.633) 11.755======================= Grid point 1082 (304/343) =======================q-point: ( 0.23 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.971 ( -0.181 1.119 -5.374) 5.493 1.971 ( -0.181 1.119 5.374) 5.493 2.399 ( -0.177 1.596 -7.693) 7.858 2.399 ( -0.177 1.596 7.693) 7.858 3.014 ( 0.940 -2.102 -0.982) 2.504 3.014 ( 0.940 -2.102 0.982) 2.504 4.430 ( -4.808 -0.498 -3.056) 5.719 4.430 ( -4.808 -0.498 3.056) 5.719 4.908 ( 2.441 4.875 -18.645) 19.426 4.908 ( 2.441 4.875 18.645) 19.426 7.437 ( -8.775 -3.746 -6.898) 11.773 7.437 ( -8.775 -3.746 6.898) 11.773 28.214 ( 7.038 -0.209 -4.622) 8.422 28.214 ( 7.038 -0.209 4.622) 8.422 28.651 ( -0.989 1.069 -40.432) 40.458 28.651 ( -0.989 1.069 40.432) 40.458 97.311 ( -1.377 0.586 -12.805) 12.892 97.311 ( -1.377 0.586 12.805) 12.892======================= Grid point 1084 (305/343) =======================q-point: ( 0.31 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 0.551 0.892 -3.381) 3.539 1.968 ( 0.551 0.892 3.381) 3.539 2.392 ( 0.308 0.822 -5.423) 5.494 2.392 ( 0.308 0.822 5.423) 5.494 3.026 ( -0.846 -1.351 -2.516) 2.979 3.026 ( -0.846 -1.351 2.516) 2.979 4.318 ( -6.410 -0.026 -3.962) 7.536 4.318 ( -6.410 -0.026 3.962) 7.536 4.932 ( 2.963 3.804 -13.705) 14.529 4.932 ( 2.963 3.804 13.705) 14.529 7.337 ( -4.690 -3.318 -6.650) 8.788 7.337 ( -4.690 -3.318 6.650) 8.788 28.331 ( 5.216 -0.457 -17.753) 18.509 28.331 ( 5.216 -0.457 17.753) 18.509 28.622 ( -1.225 1.231 -27.548) 27.603 28.622 ( -1.225 1.231 27.548) 27.603 97.285 ( -0.995 0.512 -13.770) 13.815 97.285 ( -0.995 0.512 13.770) 13.815======================= Grid point 1086 (306/343) =======================q-point: ( 0.38 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 0.364 0.551 -1.029) 1.223 1.973 ( 0.364 0.551 1.029) 1.223 2.394 ( 0.175 0.323 -3.540) 3.559 2.394 ( 0.175 0.323 3.540) 3.559 3.012 ( -1.169 -1.062 -3.159) 3.532 3.012 ( -1.169 -1.062 3.159) 3.532 4.223 ( -3.415 -0.442 -4.444) 5.622 4.223 ( -3.415 -0.442 4.444) 5.622 4.946 ( 0.655 2.232 -10.426) 10.683 4.946 ( 0.655 2.232 10.426) 10.683 7.311 ( -0.056 -1.450 -6.059) 6.230 7.311 ( -0.056 -1.450 6.059) 6.230 28.410 ( 2.655 -0.606 -36.145) 36.247 28.410 ( 2.655 -0.606 36.145) 36.247 28.587 ( -1.626 0.937 -16.577) 16.683 28.587 ( -1.626 0.937 16.577) 16.683 97.268 ( -0.596 0.214 -14.438) 14.452 97.268 ( -0.596 0.214 14.438) 14.452======================= Grid point 1088 (307/343) =======================q-point: (-0.54 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( -0.684 0.261 -1.287) 1.481 1.968 ( -0.684 0.261 1.287) 1.481 2.390 ( -0.491 0.105 -3.079) 3.119 2.390 ( -0.491 0.105 3.079) 3.119 3.010 ( 0.197 -1.357 -3.549) 3.805 3.010 ( 0.197 -1.357 3.549) 3.805 4.207 ( 0.992 -1.545 -3.870) 4.283 4.207 ( 0.992 -1.545 3.870) 4.283 4.919 ( -2.497 0.673 -8.892) 9.260 4.919 ( -2.497 0.673 8.892) 9.260 7.353 ( 4.488 1.250 -5.941) 7.549 7.353 ( 4.488 1.250 5.941) 7.549 28.424 ( -1.783 0.177 -42.820) 42.857 28.424 ( -1.783 0.177 42.820) 42.857 28.562 ( -0.416 -0.543 -20.174) 20.186 28.562 ( -0.416 -0.543 20.174) 20.186 97.260 ( -0.175 -0.243 -14.738) 14.741 97.260 ( -0.175 -0.243 14.738) 14.741======================= Grid point 1090 (308/343) =======================q-point: (-0.46 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.946 ( -1.647 -0.438 -3.630) 4.010 1.946 ( -1.647 -0.438 3.630) 4.010 2.375 ( -0.992 -0.051 -4.040) 4.160 2.375 ( -0.992 -0.051 4.040) 4.160 3.036 ( 1.325 -1.255 -3.603) 4.039 3.036 ( 1.325 -1.255 3.603) 4.039 4.280 ( 4.827 -2.906 -2.662) 6.231 4.280 ( 4.827 -2.906 2.662) 6.231 4.845 ( -5.619 -1.050 -8.854) 10.539 4.845 ( -5.619 -1.050 8.854) 10.539 7.456 ( 8.545 4.154 -6.598) 11.568 7.456 ( 8.545 4.154 6.598) 11.568 28.348 ( -5.490 0.610 -21.473) 22.172 28.348 ( -5.490 0.610 21.473) 22.172 28.575 ( 0.471 -1.762 -28.217) 28.276 28.575 ( 0.471 -1.762 28.217) 28.276 97.265 ( 0.296 -0.763 -14.618) 14.640 97.265 ( 0.296 -0.763 14.618) 14.640======================= Grid point 1092 (309/343) =======================q-point: (-0.38 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( -1.373 -1.779 -6.044) 6.449 1.923 ( -1.373 -1.779 6.044) 6.449 2.354 ( -1.583 -0.746 -5.458) 5.731 2.354 ( -1.583 -0.746 5.458) 5.731 3.066 ( 1.225 0.240 -2.371) 2.679 3.066 ( 1.225 0.240 2.371) 2.679 4.413 ( 6.462 -3.144 -2.483) 7.603 4.413 ( 6.462 -3.144 2.483) 7.603 4.735 ( -7.610 -3.984 -11.077) 14.017 4.735 ( -7.610 -3.984 11.077) 14.017 7.605 ( 11.529 6.660 -7.541) 15.301 7.605 ( 11.529 6.660 7.541) 15.301 28.224 ( -7.244 0.441 -7.335) 10.318 28.224 ( -7.244 0.441 7.335) 10.318 28.598 ( 0.413 -2.279 -40.790) 40.856 28.598 ( 0.413 -2.279 40.790) 40.856 97.283 ( 0.796 -1.243 -14.065) 14.143 97.283 ( 0.796 -1.243 14.065) 14.143======================= Grid point 1094 (310/343) =======================q-point: (-0.31 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 0.233 -3.280 -8.047) 8.693 1.929 ( 0.233 -3.280 8.047) 8.693 2.327 ( -2.554 -2.455 -6.972) 7.820 2.327 ( -2.554 -2.455 6.972) 7.820 3.072 ( 0.513 2.980 -0.623) 3.087 3.072 ( 0.513 2.980 0.623) 3.087 4.488 ( -2.074 1.367 -0.957) 2.662 4.488 ( -2.074 1.367 0.957) 2.662 4.689 ( -0.224 -10.914 -16.742) 19.986 4.689 ( -0.224 -10.914 16.742) 19.986 7.778 ( 12.565 8.219 -8.129) 17.074 7.778 ( 12.565 8.219 8.129) 17.074 28.081 ( -7.678 0.373 -4.663) 8.991 28.081 ( -7.678 0.373 4.663) 8.991 28.624 ( 0.472 -2.637 -49.153) 49.226 28.624 ( 0.472 -2.637 49.153) 49.226 97.312 ( 1.204 -1.595 -13.122) 13.273 97.312 ( 1.204 -1.595 13.122) 13.273======================= Grid point 1096 (311/343) =======================q-point: (-0.23 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( 2.295 -3.751 -8.960) 9.981 1.980 ( 2.295 -3.751 8.960) 9.981 2.298 ( -3.551 -5.370 -8.650) 10.783 2.298 ( -3.551 -5.370 8.650) 10.783 3.042 ( -0.119 6.070 -2.942) 6.746 3.042 ( -0.119 6.070 2.942) 6.746 4.381 ( -6.648 -0.156 -5.027) 8.336 4.381 ( -6.648 -0.156 5.027) 8.336 4.819 ( 3.614 -10.290 -17.395) 20.531 4.819 ( 3.614 -10.290 17.395) 20.531 7.939 ( 10.860 8.510 -7.984) 15.940 7.939 ( 10.860 8.510 7.984) 15.940 27.943 ( -6.569 0.458 -7.550) 10.018 27.943 ( -6.569 0.458 7.550) 10.018 28.654 ( 0.579 -2.794 -53.978) 54.053 28.654 ( 0.579 -2.794 53.978) 54.053 97.348 ( 1.300 -1.741 -11.898) 12.095 97.348 ( 1.300 -1.741 11.898) 12.095======================= Grid point 1098 (312/343) =======================q-point: (-0.15 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( 2.931 -1.570 -8.497) 9.124 2.054 ( 2.931 -1.570 8.497) 9.124 2.284 ( -3.235 -9.728 -10.810) 14.898 2.284 ( -3.235 -9.728 10.810) 14.898 2.983 ( -0.369 8.469 -5.044) 9.865 2.983 ( -0.369 8.469 5.044) 9.865 4.279 ( -4.326 -1.032 -6.871) 8.185 4.279 ( -4.326 -1.032 6.871) 8.185 4.942 ( 2.118 -8.565 -19.032) 20.978 4.942 ( 2.118 -8.565 19.032) 20.978 8.043 ( 6.331 7.545 -7.003) 12.086 8.043 ( 6.331 7.545 7.003) 12.086 27.841 ( -3.843 0.512 -9.026) 9.824 27.841 ( -3.843 0.512 9.026) 9.824 28.683 ( 0.452 -2.560 -56.304) 56.364 28.683 ( 0.452 -2.560 56.304) 56.364 97.381 ( 0.884 -1.609 -10.638) 10.795 97.381 ( 0.884 -1.609 10.638) 10.795======================= Grid point 1100 (313/343) =======================q-point: (-0.08 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( 0.000 0.360 -8.469) 8.477 2.086 ( 0.000 0.360 8.469) 8.477 2.333 ( -0.000 -11.263 -12.052) 16.495 2.333 ( -0.000 -11.263 12.052) 16.495 2.914 ( 0.000 8.880 -5.911) 10.667 2.914 ( 0.000 8.880 5.911) 10.667 4.245 ( -0.000 -0.944 -7.446) 7.506 4.245 ( -0.000 -0.944 7.446) 7.506 5.016 ( -0.000 -6.252 -20.193) 21.138 5.016 ( -0.000 -6.252 20.193) 21.138 8.056 ( 0.000 5.571 -5.413) 7.767 8.056 ( 0.000 5.571 5.413) 7.767 27.800 ( 0.000 0.404 -9.396) 9.404 27.800 ( 0.000 0.404 9.396) 9.404 28.704 ( -0.000 -1.877 -56.941) 56.972 28.704 ( -0.000 -1.877 56.941) 56.972 97.400 ( -0.000 -1.187 -9.762) 9.834 97.400 ( -0.000 -1.187 9.762) 9.834======================= Grid point 1106 (314/343) =======================q-point: ( 0.15 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( -0.353 0.000 -4.964) 4.976 1.980 ( -0.353 0.000 4.964) 4.976 2.412 ( -0.755 0.000 -8.276) 8.310 2.412 ( -0.755 0.000 8.276) 8.310 2.997 ( 1.516 -0.000 -0.348) 1.555 2.997 ( 1.516 -0.000 0.348) 1.555 4.426 ( -4.571 0.000 -3.278) 5.625 4.426 ( -4.571 0.000 3.278) 5.625 4.945 ( 1.594 -0.000 -19.532) 19.597 4.945 ( 1.594 -0.000 19.532) 19.597 7.409 ( -8.295 0.000 -6.621) 10.613 7.409 ( -8.295 0.000 6.621) 10.613 28.213 ( 7.005 -0.000 -3.916) 8.025 28.213 ( 7.005 -0.000 3.916) 8.025 28.659 ( -1.073 0.000 -40.346) 40.361 28.659 ( -1.073 0.000 40.346) 40.361 97.316 ( -1.465 0.000 -12.598) 12.683 97.316 ( -1.465 0.000 12.598) 12.683======================= Grid point 1108 (315/343) =======================q-point: ( 0.23 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.978 ( 0.299 0.390 -2.899) 2.941 1.978 ( 0.299 0.390 2.899) 2.941 2.401 ( -0.161 0.377 -6.181) 6.195 2.401 ( -0.161 0.377 6.181) 6.195 3.009 ( -0.461 -0.694 -1.685) 1.880 3.009 ( -0.461 -0.694 1.685) 1.880 4.315 ( -6.501 -0.165 -4.430) 7.868 4.315 ( -6.501 -0.165 4.430) 7.868 4.974 ( 1.795 1.635 -15.012) 15.207 4.974 ( 1.795 1.635 15.012) 15.207 7.303 ( -3.564 -1.262 -6.431) 7.460 7.303 ( -3.564 -1.262 6.431) 7.460 28.327 ( 5.120 -0.168 -16.612) 17.384 28.327 ( 5.120 -0.168 16.612) 17.384 28.635 ( -1.392 0.447 -27.106) 27.146 28.635 ( -1.392 0.447 27.106) 27.146 97.290 ( -1.175 0.185 -13.537) 13.589 97.290 ( -1.175 0.185 13.537) 13.589======================= Grid point 1110 (316/343) =======================q-point: ( 0.31 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 0.257 0.503 -0.721) 0.916 1.982 ( 0.257 0.503 0.721) 0.916 2.398 ( -0.070 0.233 -4.166) 4.173 2.398 ( -0.070 0.233 4.166) 4.173 2.996 ( -1.386 -1.034 -2.052) 2.683 2.996 ( -1.386 -1.034 2.052) 2.683 4.215 ( -4.052 -0.559 -4.670) 6.208 4.215 ( -4.052 -0.559 4.670) 6.208 4.977 ( -0.277 1.767 -11.180) 11.322 4.977 ( -0.277 1.767 11.180) 11.322 7.293 ( 1.559 -0.896 -5.865) 6.135 7.293 ( 1.559 -0.896 5.865) 6.135 28.402 ( 2.739 -0.391 -32.953) 33.069 28.402 ( 2.739 -0.391 32.953) 33.069 28.598 ( -2.112 0.579 -12.950) 13.134 28.598 ( -2.112 0.579 12.950) 13.134 97.270 ( -0.862 0.121 -14.326) 14.353 97.270 ( -0.862 0.121 14.326) 14.353======================= Grid point 1112 (317/343) =======================q-point: ( 0.38 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( -0.831 0.484 -1.124) 1.480 1.974 ( -0.831 0.484 1.124) 1.480 2.392 ( -0.409 0.219 -3.419) 3.451 2.392 ( -0.409 0.219 3.419) 3.451 2.986 ( -0.494 -1.808 -2.693) 3.281 2.986 ( -0.494 -1.808 2.693) 3.281 4.184 ( -0.049 -1.541 -3.599) 3.915 4.184 ( -0.049 -1.541 3.599) 3.915 4.935 ( -3.108 1.293 -8.687) 9.316 4.935 ( -3.108 1.293 8.687) 9.316 7.368 ( 6.305 0.780 -5.637) 8.494 7.368 ( 6.305 0.780 5.637) 8.494 28.424 ( -1.138 -0.102 -42.115) 42.130 28.424 ( -1.138 -0.102 42.115) 42.130 28.557 ( -1.561 -0.155 -14.834) 14.917 28.557 ( -1.561 -0.155 14.834) 14.917 97.257 ( -0.504 -0.172 -14.856) 14.865 97.257 ( -0.504 -0.172 14.856) 14.865======================= Grid point 1114 (318/343) =======================q-point: (-0.54 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( -2.235 0.000 -2.870) 3.637 1.943 ( -2.235 0.000 2.870) 3.637 2.379 ( -0.762 0.548 -4.108) 4.214 2.379 ( -0.762 0.548 4.108) 4.214 3.007 ( 0.915 -2.659 -3.544) 4.524 3.007 ( 0.915 -2.659 3.544) 4.524 4.233 ( 3.427 -3.154 -2.066) 5.095 4.233 ( 3.427 -3.154 2.066) 5.095 4.843 ( -5.979 0.653 -7.330) 9.482 4.843 ( -5.979 0.653 7.330) 9.482 7.510 ( 10.296 3.182 -6.192) 12.428 7.510 ( 10.296 3.182 6.192) 12.428 28.356 ( -5.524 0.444 -22.309) 22.987 28.356 ( -5.524 0.444 22.309) 22.987 28.552 ( -0.027 -1.397 -26.984) 27.021 28.552 ( -0.027 -1.397 26.984) 27.021 97.255 ( -0.061 -0.631 -15.020) 15.033 97.255 ( -0.061 -0.631 15.020) 15.033======================= Grid point 1116 (319/343) =======================q-point: (-0.46 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( -2.456 -1.250 -5.060) 5.762 1.901 ( -2.456 -1.250 5.060) 5.762 2.353 ( -1.744 0.519 -4.955) 5.279 2.353 ( -1.744 0.519 4.955) 5.279 3.051 ( 1.697 -2.278 -3.104) 4.207 3.051 ( 1.697 -2.278 3.104) 4.207 4.348 ( 5.355 -5.251 -3.918) 8.461 4.348 ( 5.355 -5.251 3.918) 8.461 4.708 ( -8.240 -0.126 -6.847) 10.714 4.708 ( -8.240 -0.126 6.847) 10.714 7.696 ( 12.969 5.723 -7.301) 15.945 7.696 ( 12.969 5.723 7.301) 15.945 28.231 ( -7.355 0.408 -7.749) 10.691 28.231 ( -7.355 0.408 7.749) 10.691 28.565 ( 0.034 -2.140 -40.707) 40.763 28.565 ( 0.034 -2.140 40.707) 40.763 97.265 ( 0.441 -1.165 -14.760) 14.813 97.265 ( 0.441 -1.165 14.760) 14.813======================= Grid point 1118 (320/343) =======================q-point: (-0.38 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( -1.137 -3.196 -7.360) 8.104 1.881 ( -1.137 -3.196 7.360) 8.104 2.306 ( -3.193 -0.463 -5.777) 6.617 2.306 ( -3.193 -0.463 5.777) 6.617 3.093 ( 1.667 -0.127 -1.396) 2.178 3.093 ( 1.667 -0.127 1.396) 2.178 4.482 ( 1.666 -4.733 -6.182) 7.962 4.482 ( 1.666 -4.733 6.182) 7.962 4.563 ( -5.343 -3.637 -7.925) 10.227 4.563 ( -5.343 -3.637 7.925) 10.227 7.896 ( 13.534 7.864 -8.421) 17.774 7.896 ( 13.534 7.864 8.421) 17.774 28.087 ( -7.623 0.399 -4.818) 9.026 28.087 ( -7.623 0.399 4.818) 9.026 28.584 ( 0.033 -2.807 -49.099) 49.179 28.584 ( 0.033 -2.807 49.099) 49.179 97.288 ( 0.878 -1.680 -14.096) 14.223 97.288 ( 0.878 -1.680 14.096) 14.223======================= Grid point 1120 (321/343) =======================q-point: (-0.31 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( 1.138 -5.357 -9.229) 10.731 1.911 ( 1.138 -5.357 9.229) 10.731 2.244 ( -4.403 -2.065 -6.891) 8.435 2.244 ( -4.403 -2.065 6.891) 8.435 3.109 ( 1.118 2.975 -1.551) 3.536 3.109 ( 1.118 2.975 1.551) 3.536 4.374 ( -8.022 -1.088 -6.533) 10.403 4.374 ( -8.022 -1.088 6.533) 10.403 4.669 ( 4.149 -9.600 -12.585) 16.363 4.669 ( 4.149 -9.600 12.585) 16.363 8.070 ( 11.363 9.212 -9.130) 17.243 8.070 ( 11.363 9.212 9.130) 17.243 27.951 ( -6.411 0.555 -7.486) 9.872 27.951 ( -6.411 0.555 7.486) 9.872 28.608 ( 0.177 -3.380 -53.974) 54.080 28.608 ( 0.177 -3.380 53.974) 54.080 97.320 ( 1.044 -2.075 -13.127) 13.331 97.320 ( 1.044 -2.075 13.127) 13.331======================= Grid point 1122 (322/343) =======================q-point: (-0.23 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 3.528 -6.463 -9.988) 12.409 1.999 ( 3.528 -6.463 9.988) 12.409 2.177 ( -5.046 -4.138 -8.323) 10.576 2.177 ( -5.046 -4.138 8.323) 10.576 3.091 ( 0.440 5.969 -3.508) 6.937 3.091 ( 0.440 5.969 3.508) 6.937 4.260 ( -4.863 -1.629 -7.170) 8.816 4.260 ( -4.863 -1.629 7.170) 8.816 4.802 ( 2.295 -10.149 -15.714) 18.846 4.802 ( 2.295 -10.149 15.714) 18.846 8.170 ( 6.509 9.596 -9.153) 14.773 8.170 ( 6.509 9.596 9.153) 14.773 27.850 ( -3.728 0.722 -9.011) 9.779 27.850 ( -3.728 0.722 9.011) 9.779 28.638 ( 0.230 -3.618 -56.392) 56.508 28.638 ( 0.230 -3.618 56.392) 56.508 97.353 ( 0.748 -2.237 -12.033) 12.262 97.353 ( 0.748 -2.237 12.033) 12.262======================= Grid point 1124 (323/343) =======================q-point: (-0.15 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( 0.000 0.649 -7.760) 7.787 2.093 ( 0.000 0.649 7.760) 7.787 2.153 ( -0.000 -12.749 -12.115) 17.587 2.153 ( -0.000 -12.749 12.115) 17.587 3.043 ( 0.000 8.077 -4.825) 9.408 3.043 ( 0.000 8.077 4.825) 9.408 4.226 ( -0.000 -1.685 -7.467) 7.654 4.226 ( -0.000 -1.685 7.467) 7.654 4.896 ( -0.000 -9.738 -17.740) 20.237 4.896 ( -0.000 -9.738 17.740) 20.237 8.164 ( 0.000 9.022 -8.360) 12.300 8.164 ( 0.000 9.022 8.360) 12.300 27.809 ( 0.000 0.715 -9.409) 9.436 27.809 ( 0.000 0.715 9.409) 9.436 28.666 ( -0.000 -3.330 -57.051) 57.148 28.666 ( -0.000 -3.330 57.051) 57.148 97.376 ( -0.000 -2.075 -11.091) 11.283 97.376 ( -0.000 -2.075 11.091) 11.283======================= Grid point 1134 (324/343) =======================q-point: ( 0.23 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( 0.220 -0.000 -0.533) 0.577 1.986 ( 0.220 -0.000 0.533) 0.577 2.400 ( -0.180 0.000 -4.432) 4.435 2.400 ( -0.180 0.000 4.432) 4.435 2.987 ( -1.454 0.000 -1.090) 1.817 2.987 ( -1.454 0.000 1.090) 1.817 4.210 ( -4.248 0.000 -4.746) 6.370 4.210 ( -4.248 0.000 4.747) 6.370 4.991 ( -0.658 0.000 -11.454) 11.473 4.991 ( -0.658 0.000 11.454) 11.473 7.287 ( 2.158 -0.000 -5.755) 6.146 7.287 ( 2.158 -0.000 5.755) 6.146 28.400 ( 2.749 -0.000 -31.808) 31.927 28.400 ( 2.749 -0.000 31.808) 31.927 28.603 ( -2.267 0.000 -11.391) 11.615 28.603 ( -2.267 0.000 11.391) 11.615 97.271 ( -0.957 0.000 -14.285) 14.317 97.271 ( -0.957 0.000 14.285) 14.317======================= Grid point 1136 (325/343) =======================q-point: ( 0.31 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( -0.927 0.249 -0.897) 1.314 1.980 ( -0.927 0.249 0.897) 1.314 2.395 ( -0.268 0.104 -3.633) 3.644 2.395 ( -0.268 0.104 3.633) 3.644 2.965 ( -1.009 -0.837 -1.184) 1.766 2.965 ( -1.009 -0.837 1.184) 1.766 4.167 ( -0.569 -0.616 -3.394) 3.496 4.167 ( -0.569 -0.616 3.394) 3.496 4.950 ( -3.468 0.605 -8.653) 9.342 4.950 ( -3.468 0.605 8.653) 9.342 7.376 ( 7.321 0.261 -5.396) 9.098 7.376 ( 7.321 0.261 5.396) 9.098 28.422 ( -0.760 -0.085 -40.362) 40.369 28.422 ( -0.760 -0.085 40.362) 40.369 28.557 ( -2.222 -0.007 -6.148) 6.537 28.557 ( -2.222 -0.007 6.148) 6.537 97.256 ( -0.689 -0.062 -14.919) 14.935 97.256 ( -0.689 -0.062 14.919) 14.935======================= Grid point 1138 (326/343) =======================q-point: (-0.62 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( -2.671 0.162 -1.618) 3.127 1.944 ( -2.671 0.162 1.618) 3.127 2.389 ( -0.272 0.622 -4.371) 4.424 2.389 ( -0.272 0.622 4.371) 4.424 2.968 ( 0.228 -2.278 -2.979) 3.757 2.968 ( 0.228 -2.278 2.979) 3.757 4.196 ( 2.499 -1.877 -1.178) 3.340 4.196 ( 2.499 -1.877 1.178) 3.340 4.856 ( -6.107 0.794 -6.696) 9.097 4.856 ( -6.107 0.794 6.696) 9.097 7.546 ( 11.470 1.706 -5.773) 12.953 7.546 ( 11.469 1.706 5.773) 12.953 28.361 ( -5.471 0.214 -21.756) 22.435 28.361 ( -5.471 0.214 21.756) 22.435 28.536 ( -0.459 -0.751 -24.446) 24.462 28.536 ( -0.459 -0.751 24.446) 24.462 97.248 ( -0.314 -0.356 -15.292) 15.299 97.248 ( -0.314 -0.356 15.292) 15.299======================= Grid point 1140 (327/343) =======================q-point: (-0.54 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( -3.325 -0.612 -3.322) 4.740 1.887 ( -3.325 -0.612 3.322) 4.740 2.367 ( -1.549 1.259 -4.961) 5.348 2.367 ( -1.549 1.259 4.961) 5.348 3.007 ( 1.636 -3.413 -3.395) 5.085 3.007 ( 1.636 -3.413 3.395) 5.085 4.279 ( 3.907 -3.928 -3.667) 6.643 4.279 ( 3.907 -3.928 3.667) 6.643 4.717 ( -7.955 0.962 -5.212) 9.559 4.717 ( -7.955 0.962 5.212) 9.559 7.766 ( 14.058 3.796 -6.844) 16.090 7.766 ( 14.058 3.796 6.844) 16.090 28.236 ( -7.433 0.283 -6.937) 10.171 28.236 ( -7.433 0.283 6.937) 10.171 28.539 ( -0.296 -1.511 -40.310) 40.339 28.539 ( -0.296 -1.511 40.310) 40.339 97.250 ( 0.150 -0.823 -15.293) 15.316 97.250 ( 0.150 -0.823 15.293) 15.316======================= Grid point 1142 (328/343) =======================q-point: (-0.46 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( -2.455 -2.208 -5.520) 6.433 1.841 ( -2.455 -2.208 5.520) 6.433 2.311 ( -3.462 0.974 -4.913) 6.089 2.311 ( -3.462 0.974 4.913) 6.089 3.070 ( 2.382 -2.819 -2.493) 4.454 3.070 ( 2.382 -2.819 2.493) 4.454 4.380 ( 1.681 -6.781 -9.146) 11.509 4.380 ( 1.681 -6.781 9.146) 11.509 4.564 ( -6.417 1.321 -2.942) 7.182 4.564 ( -6.417 1.321 2.942) 7.182 7.998 ( 14.352 5.997 -8.181) 17.575 7.998 ( 14.352 5.997 8.181) 17.575 28.092 ( -7.569 0.333 -4.368) 8.745 28.092 ( -7.569 0.333 4.368) 8.745 28.546 ( -0.385 -2.333 -48.936) 48.994 28.546 ( -0.385 -2.333 48.936) 48.994 97.265 ( 0.580 -1.382 -14.909) 14.984 97.265 ( 0.580 -1.382 14.909) 14.984======================= Grid point 1144 (329/343) =======================q-point: (-0.38 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.836 ( -0.587 -4.656 -7.765) 9.073 1.836 ( -0.587 -4.656 7.765) 9.073 2.232 ( -4.477 0.080 -5.310) 6.946 2.232 ( -4.477 0.080 5.310) 6.946 3.125 ( 2.019 -0.656 -1.805) 2.787 3.125 ( 2.019 -0.656 1.805) 2.787 4.343 ( -7.909 -3.160 -8.973) 12.371 4.343 ( -7.909 -3.160 8.973) 12.371 4.561 ( 3.307 -4.942 -6.678) 8.942 4.561 ( 3.307 -4.942 6.678) 8.942 8.195 ( 11.846 7.877 -9.351) 17.024 8.195 ( 11.846 7.877 9.351) 17.024 27.959 ( -6.244 0.525 -7.304) 9.624 27.959 ( -6.244 0.525 7.304) 9.624 28.560 ( -0.252 -3.194 -53.914) 54.009 28.560 ( -0.252 -3.194 53.914) 54.009 97.290 ( 0.783 -1.929 -14.223) 14.374 97.290 ( 0.783 -1.929 14.223) 14.374======================= Grid point 1146 (330/343) =======================q-point: (-0.31 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 1.271 -7.741 -9.718) 12.489 1.889 ( 1.271 -7.741 9.718) 12.489 2.152 ( -3.932 -0.251 -6.104) 7.265 2.152 ( -3.932 -0.251 6.104) 7.265 3.149 ( 1.018 2.011 -2.383) 3.280 3.149 ( 1.018 2.011 2.383) 3.280 4.233 ( -5.139 -2.081 -7.602) 9.409 4.233 ( -5.139 -2.081 7.602) 9.409 4.666 ( 2.224 -8.219 -11.559) 14.357 4.666 ( 2.224 -8.219 11.559) 14.357 8.309 ( 6.710 9.177 -10.034) 15.163 8.309 ( 6.710 9.177 10.034) 15.163 27.861 ( -3.591 0.767 -8.976) 9.698 27.861 ( -3.591 0.767 8.976) 9.698 28.583 ( -0.038 -3.853 -56.465) 56.597 28.583 ( -0.038 -3.853 56.465) 56.597 97.319 ( 0.591 -2.335 -13.389) 13.604 97.319 ( 0.591 -2.335 13.389) 13.604======================= Grid point 1148 (331/343) =======================q-point: (-0.23 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( -0.000 -10.993 -11.189) 15.685 1.979 ( -0.000 -10.993 11.189) 15.685 2.104 ( 0.000 0.801 -6.608) 6.656 2.104 ( 0.000 0.801 6.608) 6.656 3.135 ( 0.000 4.398 -3.181) 5.428 3.135 ( 0.000 4.398 3.181) 5.428 4.198 ( -0.000 -2.057 -7.492) 7.769 4.198 ( -0.000 -2.057 7.492) 7.769 4.752 ( -0.000 -9.583 -14.186) 17.119 4.752 ( -0.000 -9.583 14.186) 17.119 8.303 ( 0.000 9.778 -9.980) 13.972 8.303 ( 0.000 9.778 9.980) 13.972 27.820 ( 0.000 0.862 -9.428) 9.468 27.820 ( 0.000 0.862 9.428) 9.468 28.612 ( -0.000 -4.027 -57.182) 57.324 28.612 ( -0.000 -4.027 57.182) 57.324 97.343 ( -0.000 -2.460 -12.590) 12.828 97.343 ( -0.000 -2.460 12.590) 12.828======================= Grid point 1162 (332/343) =======================q-point: (-0.69 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.946 ( -2.837 0.000 -0.485) 2.878 1.946 ( -2.837 0.000 0.485) 2.878 2.394 ( 0.004 -0.000 -4.510) 4.510 2.394 ( 0.004 -0.000 4.510) 4.510 2.950 ( -0.135 0.000 -2.522) 2.525 2.950 ( -0.135 0.000 2.522) 2.525 4.182 ( 2.205 -0.000 -0.547) 2.272 4.182 ( 2.205 -0.000 0.547) 2.272 4.862 ( -6.152 0.000 -6.531) 8.972 4.862 ( -6.152 0.000 6.531) 8.972 7.558 ( 11.882 -0.000 -5.595) 13.133 7.558 ( 11.882 -0.000 5.595) 13.133 28.362 ( -5.430 0.000 -21.143) 21.829 28.362 ( -5.430 0.000 21.143) 21.829 28.530 ( -0.637 0.000 -22.905) 22.914 28.530 ( -0.637 0.000 22.905) 22.914 97.245 ( -0.404 0.000 -15.388) 15.393 97.245 ( -0.404 0.000 15.388) 15.393======================= Grid point 1166 (333/343) =======================q-point: (-0.62 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( -3.794 -0.161 -1.375) 4.039 1.882 ( -3.794 -0.161 1.375) 4.039 2.383 ( -1.289 0.716 -5.210) 5.415 2.383 ( -1.289 0.716 5.210) 5.415 2.967 ( 1.379 -1.697 -3.151) 3.835 2.967 ( 1.379 -1.697 3.151) 3.835 4.240 ( 3.248 -1.352 -3.173) 4.738 4.240 ( 3.248 -1.352 3.173) 4.738 4.728 ( -7.835 0.462 -4.754) 9.176 4.728 ( -7.835 0.462 4.754) 9.176 7.803 ( 14.640 1.323 -6.488) 16.068 7.803 ( 14.640 1.323 6.488) 16.068 28.238 ( -7.468 0.100 -5.487) 9.268 28.238 ( -7.468 0.100 5.487) 9.268 28.523 ( -0.491 -0.544 -39.877) 39.884 28.523 ( -0.491 -0.544 39.877) 39.884 97.242 ( -0.013 -0.296 -15.579) 15.582 97.242 ( -0.013 -0.296 15.579) 15.582======================= Grid point 1168 (334/343) =======================q-point: (-0.54 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -3.308 -1.030 -3.277) 4.769 1.818 ( -3.308 -1.030 3.277) 4.769 2.329 ( -3.690 1.200 -4.325) 5.810 2.329 ( -3.690 1.200 4.325) 5.810 3.024 ( 2.801 -2.894 -2.371) 4.674 3.024 ( 2.801 -2.894 2.371) 4.674 4.306 ( 1.290 -3.366 -7.675) 8.479 4.306 ( 1.290 -3.366 7.675) 8.479 4.581 ( -6.636 0.911 -2.757) 7.243 4.581 ( -6.636 0.911 2.757) 7.243 8.065 ( 14.890 3.213 -7.770) 17.100 8.065 ( 14.890 3.213 7.770) 17.100 28.096 ( -7.529 0.189 -3.316) 8.229 28.096 ( -7.529 0.189 3.316) 8.229 28.519 ( -0.685 -1.319 -48.728) 48.751 28.519 ( -0.685 -1.319 48.728) 48.751 97.249 ( 0.372 -0.776 -15.433) 15.457 97.249 ( 0.372 -0.776 15.433) 15.457======================= Grid point 1170 (335/343) =======================q-point: (-0.46 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( -1.874 -2.787 -5.314) 6.286 1.782 ( -1.874 -2.787 5.314) 6.286 2.240 ( -4.698 0.858 -3.742) 6.067 2.240 ( -4.698 0.858 3.742) 6.067 3.099 ( 2.754 -2.530 -2.208) 4.343 3.099 ( 2.754 -2.530 2.208) 4.343 4.293 ( -5.625 -3.270 -9.606) 11.602 4.293 ( -5.625 -3.270 9.606) 11.602 4.520 ( 0.515 -1.258 -3.464) 3.722 4.520 ( 0.515 -1.258 3.464) 3.722 8.291 ( 12.214 5.211 -9.039) 16.064 8.291 ( 12.214 5.211 9.039) 16.064 27.965 ( -6.108 0.374 -7.004) 9.300 27.965 ( -6.108 0.374 7.004) 9.300 28.519 ( -0.608 -2.271 -53.812) 53.863 28.519 ( -0.608 -2.271 53.812) 53.863 97.266 ( 0.574 -1.354 -15.004) 15.076 97.266 ( 0.574 -1.354 15.004) 15.076======================= Grid point 1172 (336/343) =======================q-point: (-0.38 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( -0.270 -5.380 -7.452) 9.195 1.792 ( -0.270 -5.380 7.452) 9.195 2.156 ( -3.460 0.548 -4.271) 5.524 2.156 ( -3.460 0.548 4.271) 5.524 3.153 ( 1.513 -1.121 -2.602) 3.212 3.153 ( 1.513 -1.121 2.602) 3.212 4.202 ( -4.831 -2.041 -7.925) 9.503 4.202 ( -4.831 -2.041 7.925) 9.503 4.572 ( 1.645 -4.746 -7.803) 9.280 4.572 ( 1.645 -4.746 7.803) 9.280 8.427 ( 6.885 6.994 -9.987) 14.002 8.427 ( 6.885 6.994 9.987) 14.002 27.871 ( -3.463 0.636 -8.915) 9.585 27.871 ( -3.463 0.636 8.915) 9.585 28.531 ( -0.290 -3.203 -56.502) 56.593 28.531 ( -0.290 -3.203 56.502) 56.593 97.288 ( 0.451 -1.907 -14.431) 14.563 97.288 ( 0.451 -1.907 14.431) 14.563======================= Grid point 1174 (337/343) =======================q-point: (-0.31 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( -0.000 -7.906 -9.189) 12.122 1.842 ( -0.000 -7.906 9.189) 12.122 2.116 ( 0.000 0.775 -5.065) 5.124 2.116 ( 0.000 0.775 5.065) 5.124 3.169 ( 0.000 0.530 -2.728) 2.779 3.169 ( 0.000 0.530 2.728) 2.779 4.169 ( -0.000 -1.963 -7.512) 7.765 4.169 ( -0.000 -1.963 7.512) 7.765 4.632 ( -0.000 -6.868 -10.369) 12.437 4.632 ( -0.000 -6.868 10.369) 12.437 8.437 ( 0.000 8.367 -10.369) 13.324 8.437 ( 0.000 8.367 10.369) 13.324 27.833 ( 0.000 0.812 -9.449) 9.483 27.833 ( 0.000 0.812 9.449) 9.483 28.554 ( -0.000 -3.804 -57.295) 57.421 28.554 ( -0.000 -3.804 57.295) 57.421 97.308 ( -0.000 -2.275 -13.854) 14.040 97.308 ( -0.000 -2.275 13.854) 14.040======================= Grid point 1192 (338/343) =======================q-point: (-0.62 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( -3.593 0.000 -1.923) 4.075 1.811 ( -3.593 0.000 1.923) 4.075 2.339 ( -3.815 0.000 -4.074) 5.581 2.339 ( -3.815 0.000 4.074) 5.581 3.001 ( 2.964 -0.000 -1.680) 3.406 3.001 ( 2.964 -0.000 1.680) 3.406 4.282 ( 1.213 -0.000 -7.149) 7.252 4.282 ( 1.213 -0.000 7.149) 7.252 4.588 ( -6.752 0.000 -2.750) 7.290 4.588 ( -6.752 0.000 2.750) 7.290 8.089 ( 15.077 -0.000 -7.575) 16.873 8.089 ( 15.077 -0.000 7.575) 16.873 28.097 ( -7.514 0.000 -2.573) 7.942 28.097 ( -7.514 0.000 2.573) 7.942 28.509 ( -0.794 0.000 -48.628) 48.635 28.509 ( -0.794 0.000 48.628) 48.635 97.243 ( 0.298 -0.000 -15.613) 15.615 97.243 ( 0.298 -0.000 15.613) 15.615======================= Grid point 1196 (339/343) =======================q-point: (-0.54 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( -2.504 -0.883 -2.980) 3.991 1.756 ( -2.504 -0.883 2.980) 3.991 2.251 ( -5.010 0.480 -2.192) 5.490 2.251 ( -5.010 0.480 2.192) 5.490 3.067 ( 3.267 -1.369 -1.060) 3.697 3.067 ( 3.267 -1.369 1.060) 3.697 4.259 ( -4.280 -1.203 -9.120) 10.146 4.259 ( -4.280 -1.203 9.120) 10.146 4.512 ( -1.093 -0.181 -2.691) 2.910 4.512 ( -1.093 -0.181 2.691) 2.910 8.342 ( 12.411 1.814 -8.697) 15.263 8.342 ( 12.411 1.814 8.697) 15.263 27.969 ( -6.031 0.135 -6.739) 9.045 27.969 ( -6.031 0.135 6.739) 9.045 28.496 ( -0.810 -0.821 -53.727) 53.739 28.496 ( -0.810 -0.821 53.727) 53.739 97.252 ( 0.459 -0.486 -15.404) 15.418 97.252 ( 0.459 -0.486 15.404) 15.418======================= Grid point 1198 (340/343) =======================q-point: (-0.46 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 592Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( -1.047 -2.557 -4.564) 5.335 1.735 ( -1.047 -2.557 4.564) 5.335 2.164 ( -3.522 0.479 -2.248) 4.205 2.164 ( -3.522 0.479 2.248) 4.205 3.129 ( 1.960 -1.701 -2.322) 3.482 3.129 ( 1.960 -1.701 2.322) 3.482 4.178 ( -4.299 -1.236 -7.981) 9.149 4.178 ( -4.299 -1.236 7.981) 9.149 4.525 ( 0.921 -1.901 -5.539) 5.928 4.525 ( 0.921 -1.901 5.539) 5.928 8.506 ( 7.002 3.745 -9.587) 12.448 8.506 ( 7.002 3.745 9.587) 12.448 27.878 ( -3.374 0.360 -8.846) 9.475 27.878 ( -3.374 0.360 8.846) 9.475 28.494 ( -0.470 -1.813 -56.506) 56.537 28.494 ( -0.470 -1.813 56.506) 56.537 97.266 ( 0.355 -1.065 -15.063) 15.104 97.266 ( 0.355 -1.065 15.063) 15.104======================= Grid point 1200 (341/343) =======================q-point: (-0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( -0.000 -4.497 -6.321) 7.758 1.752 ( -0.000 -4.497 6.321) 7.758 2.126 ( 0.000 0.562 -3.216) 3.265 2.126 ( 0.000 0.562 3.216) 3.265 3.159 ( -0.000 -1.465 -2.824) 3.181 3.159 ( -0.000 -1.465 2.824) 3.181 4.144 ( -0.000 -1.408 -7.525) 7.655 4.144 ( -0.000 -1.408 7.525) 7.655 4.556 ( -0.000 -3.619 -7.378) 8.218 4.556 ( -0.000 -3.619 7.378) 8.218 8.538 ( 0.000 5.536 -10.066) 11.488 8.538 ( 0.000 5.536 10.066) 11.488 27.843 ( 0.000 0.576 -9.465) 9.483 27.843 ( 0.000 0.576 9.465) 9.483 28.506 ( -0.000 -2.705 -57.368) 57.432 28.506 ( -0.000 -2.705 57.368) 57.432 97.279 ( -0.000 -1.590 -14.715) 14.801 97.279 ( -0.000 -1.590 14.715) 14.801======================= Grid point 1222 (342/343) =======================q-point: (-0.54 0.46 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( -1.285 0.000 -2.764) 3.048 1.717 ( -1.285 0.000 2.764) 3.048 2.168 ( -3.616 0.000 -0.067) 3.617 2.168 ( -3.616 0.000 0.067) 3.617 3.115 ( 2.162 -0.000 -1.678) 2.737 3.115 ( 2.162 -0.000 1.678) 2.737 4.168 ( -4.074 0.000 -7.960) 8.942 4.168 ( -4.074 0.000 7.960) 8.942 4.512 ( 0.620 -0.000 -4.841) 4.881 4.512 ( 0.620 -0.000 4.841) 4.881 8.533 ( 7.042 -0.000 -9.376) 11.726 8.533 ( 7.042 -0.000 9.376) 11.726 27.881 ( -3.341 0.000 -8.815) 9.427 27.881 ( -3.341 0.000 8.815) 9.427 28.480 ( -0.534 0.000 -56.503) 56.506 28.480 ( -0.534 0.000 56.503) 56.506 97.258 ( 0.322 -0.000 -15.272) 15.275 97.258 ( 0.322 -0.000 15.272) 15.275======================= Grid point 1226 (343/343) =======================q-point: (-0.46 0.46 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 322Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( -0.000 -1.414 -3.426) 3.706 1.710 ( -0.000 -1.414 3.426) 3.706 2.131 ( 0.000 0.205 -1.235) 1.252 2.131 ( 0.000 0.205 1.235) 1.252 3.140 ( -0.000 -0.880 -2.273) 2.438 3.140 ( -0.000 -0.880 2.273) 2.438 4.130 ( -0.000 -0.511 -7.529) 7.546 4.130 ( -0.000 -0.511 7.529) 7.546 4.523 ( -0.000 -1.062 -5.855) 5.951 4.523 ( -0.000 -1.062 5.855) 5.951 8.593 ( 0.000 1.928 -9.692) 9.882 8.593 ( 0.000 1.928 9.692) 9.882 27.849 ( 0.000 0.208 -9.475) 9.477 27.849 ( 0.000 0.208 9.475) 9.477 28.479 ( -0.000 -0.978 -57.402) 57.410 28.479 ( -0.000 -0.978 57.402) 57.410 97.263 ( -0.000 -0.569 -15.141) 15.152 97.263 ( -0.000 -0.569 15.141) 15.152=================== 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 3/36504 10.0 144.483 215.642 177.906 0.000 0.000 0.000 3/36504 20.0 44.406 56.473 52.675 0.000 0.000 0.000 3/36504 30.0 21.558 25.700 25.763 0.000 0.000 0.000 3/36504 40.0 13.110 15.164 15.667 0.000 0.000 0.000 3/36504 50.0 9.141 10.356 10.907 0.000 0.000 0.000 3/36504 60.0 6.961 7.752 8.293 0.000 0.000 0.000 3/36504 70.0 5.618 6.165 6.684 0.000 0.000 0.000 3/36504 80.0 4.717 5.114 5.607 0.000 0.000 0.000 3/36504 90.0 4.075 4.372 4.838 0.000 0.000 0.000 3/36504 100.0 3.593 3.822 4.263 0.000 0.000 0.000 3/36504 110.0 3.219 3.399 3.815 0.000 0.000 0.000 3/36504 120.0 2.918 3.063 3.457 0.000 0.000 0.000 3/36504 130.0 2.672 2.790 3.164 0.000 0.000 0.000 3/36504 140.0 2.465 2.563 2.920 0.000 0.000 0.000 3/36504 150.0 2.290 2.372 2.714 0.000 0.000 0.000 3/36504 160.0 2.138 2.208 2.537 0.000 0.000 0.000 3/36504 170.0 2.006 2.065 2.384 0.000 0.000 0.000 3/36504 180.0 1.890 1.940 2.251 0.000 0.000 0.000 3/36504 190.0 1.787 1.830 2.133 0.000 0.000 0.000 3/36504 200.0 1.694 1.732 2.029 0.000 0.000 0.000 3/36504 210.0 1.611 1.643 1.937 0.000 0.000 0.000 3/36504 220.0 1.536 1.564 1.854 0.000 0.000 0.000 3/36504 230.0 1.468 1.492 1.779 0.000 0.000 0.000 3/36504 240.0 1.405 1.426 1.711 0.000 0.000 0.000 3/36504 250.0 1.348 1.365 1.649 0.000 0.000 0.000 3/36504 260.0 1.295 1.310 1.593 0.000 0.000 0.000 3/36504 270.0 1.246 1.259 1.541 0.000 0.000 0.000 3/36504 280.0 1.201 1.212 1.493 0.000 0.000 0.000 3/36504 290.0 1.159 1.168 1.449 0.000 0.000 0.000 3/36504 300.0 1.120 1.127 1.408 0.000 0.000 0.000 3/36504 310.0 1.083 1.089 1.369 0.000 0.000 0.000 3/36504 320.0 1.049 1.053 1.333 0.000 0.000 0.000 3/36504 330.0 1.017 1.020 1.300 0.000 0.000 0.000 3/36504 340.0 0.987 0.989 1.268 0.000 0.000 0.000 3/36504 350.0 0.958 0.959 1.238 0.000 0.000 0.000 3/36504 360.0 0.931 0.931 1.209 0.000 0.000 0.000 3/36504 370.0 0.906 0.905 1.182 0.000 0.000 0.000 3/36504 380.0 0.882 0.881 1.157 0.000 0.000 0.000 3/36504 390.0 0.859 0.857 1.132 0.000 0.000 0.000 3/36504 400.0 0.837 0.835 1.109 0.000 0.000 0.000 3/36504 410.0 0.817 0.814 1.087 0.000 0.000 0.000 3/36504 420.0 0.797 0.794 1.066 0.000 0.000 0.000 3/36504 430.0 0.779 0.775 1.045 0.000 0.000 0.000 3/36504 440.0 0.761 0.756 1.026 0.000 0.000 0.000 3/36504 450.0 0.744 0.739 1.007 0.000 0.000 0.000 3/36504 460.0 0.728 0.722 0.989 0.000 0.000 0.000 3/36504 470.0 0.712 0.707 0.971 0.000 0.000 0.000 3/36504 480.0 0.697 0.691 0.955 0.000 0.000 0.000 3/36504 490.0 0.683 0.677 0.938 0.000 0.000 0.000 3/36504 500.0 0.669 0.663 0.923 0.000 0.000 0.000 3/36504 510.0 0.656 0.650 0.908 0.000 0.000 0.000 3/36504 520.0 0.643 0.637 0.893 0.000 0.000 0.000 3/36504 530.0 0.631 0.624 0.879 0.000 0.000 0.000 3/36504 540.0 0.619 0.613 0.865 0.000 0.000 0.000 3/36504 550.0 0.608 0.601 0.852 0.000 0.000 0.000 3/36504 560.0 0.597 0.590 0.839 0.000 0.000 0.000 3/36504 570.0 0.587 0.580 0.827 0.000 0.000 0.000 3/36504 580.0 0.577 0.569 0.815 0.000 0.000 0.000 3/36504 590.0 0.567 0.559 0.803 0.000 0.000 0.000 3/36504 600.0 0.557 0.550 0.792 0.000 0.000 0.000 3/36504 610.0 0.548 0.541 0.780 0.000 0.000 0.000 3/36504 620.0 0.539 0.532 0.770 0.000 0.000 0.000 3/36504 630.0 0.531 0.523 0.759 0.000 0.000 0.000 3/36504 640.0 0.522 0.515 0.749 0.000 0.000 0.000 3/36504 650.0 0.514 0.507 0.739 0.000 0.000 0.000 3/36504 660.0 0.507 0.499 0.730 0.000 0.000 0.000 3/36504 670.0 0.499 0.491 0.720 0.000 0.000 0.000 3/36504 680.0 0.492 0.484 0.711 0.000 0.000 0.000 3/36504 690.0 0.485 0.477 0.702 0.000 0.000 0.000 3/36504 700.0 0.478 0.470 0.694 0.000 0.000 0.000 3/36504 710.0 0.471 0.463 0.685 0.000 0.000 0.000 3/36504 720.0 0.464 0.457 0.677 0.000 0.000 0.000 3/36504 730.0 0.458 0.450 0.669 0.000 0.000 0.000 3/36504 740.0 0.452 0.444 0.661 0.000 0.000 0.000 3/36504 750.0 0.446 0.438 0.653 0.000 0.000 0.000 3/36504 760.0 0.440 0.432 0.646 0.000 0.000 0.000 3/36504 770.0 0.434 0.427 0.639 0.000 0.000 0.000 3/36504 780.0 0.429 0.421 0.632 0.000 0.000 0.000 3/36504 790.0 0.423 0.416 0.625 0.000 0.000 0.000 3/36504 800.0 0.418 0.410 0.618 0.000 0.000 0.000 3/36504 810.0 0.413 0.405 0.611 0.000 0.000 0.000 3/36504 820.0 0.408 0.400 0.605 0.000 0.000 0.000 3/36504 830.0 0.403 0.395 0.598 0.000 0.000 0.000 3/36504 840.0 0.398 0.391 0.592 0.000 0.000 0.000 3/36504 850.0 0.393 0.386 0.586 0.000 0.000 0.000 3/36504 860.0 0.389 0.381 0.580 0.000 0.000 0.000 3/36504 870.0 0.384 0.377 0.574 0.000 0.000 0.000 3/36504 880.0 0.380 0.373 0.569 0.000 0.000 0.000 3/36504 890.0 0.376 0.368 0.563 0.000 0.000 0.000 3/36504 900.0 0.372 0.364 0.558 0.000 0.000 0.000 3/36504 910.0 0.368 0.360 0.552 0.000 0.000 0.000 3/36504 920.0 0.364 0.356 0.547 0.000 0.000 0.000 3/36504 930.0 0.360 0.353 0.542 0.000 0.000 0.000 3/36504 940.0 0.356 0.349 0.537 0.000 0.000 0.000 3/36504 950.0 0.352 0.345 0.532 0.000 0.000 0.000 3/36504 960.0 0.348 0.341 0.527 0.000 0.000 0.000 3/36504 970.0 0.345 0.338 0.522 0.000 0.000 0.000 3/36504 980.0 0.341 0.334 0.518 0.000 0.000 0.000 3/36504 990.0 0.338 0.331 0.513 0.000 0.000 0.000 3/36504 1000.0 0.335 0.328 0.509 0.000 0.000 0.000 3/36504Thermal conductivity related properties were written into "kappa-m131312.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 20:37:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|