# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/711194d0-287a-40e6-9f67-aaece830fd34/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 WS2 / R3m (160) / materials id 9813](https://mdr.nims.go.jp/datasets/967e1c5a-f6ad-4d4e-ae5e-89887930fed0) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:34:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [4 4 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R3m (160)Number of symmetry operations in supercell: 288------------------------------ primitive cell ------------------------------Lattice vectors: a 1.573294377192004 0.908341932186327 6.299334856666660 b -1.573294377192001 0.908341932186327 6.299334856666660 c 0.000000000000002 -1.816683864372656 6.299334856666660Atomic positions (fractional): *1 S 0.41696876039474 0.41696876039474 0.41696876039474 32.065 *2 S 0.25106137688714 0.25106137688714 0.25106137688714 32.065 *3 W 0.00066987271811 0.00066987271812 0.00066987271811 183.840-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.146588754384006 0.000000000000000 0.000000000000000 b -1.573294377192003 2.725025796558983 0.000000000000000 c 0.000000000000000 0.000000000000000 18.898004570000001Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.75030209372807 32.065 > 1 *2 S 0.33333333333333 0.66666666666667 0.91772804355381 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.08363542706141 32.065 > 1 4 S 0.00000000000000 0.00000000000000 0.25106137688714 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.41696876039474 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.58439471022047 32.065 > 2 *7 W 0.33333333333333 0.66666666666667 0.66733653938478 183.840 > 3 8 W 0.00000000000000 0.00000000000000 0.00066987271811 183.840 > 3 9 W 0.66666666666667 0.33333333333333 0.33400320605145 183.840 > 3-------------------------------- super cell --------------------------------Lattice vectors: a 12.586355017536023 0.000000000000000 0.000000000000000 b -6.293177508768012 10.900103186235931 0.000000000000000 c 0.000000000000000 0.000000000000000 18.898004570000001Atomic positions (fractional): *1 S 0.16666666666667 0.08333333333333 0.75030209372807 32.065 > 1 2 S 0.41666666666667 0.08333333333333 0.75030209372807 32.065 > 1 3 S 0.66666666666667 0.08333333333333 0.75030209372807 32.065 > 1 4 S 0.91666666666667 0.08333333333333 0.75030209372807 32.065 > 1 5 S 0.16666666666667 0.33333333333333 0.75030209372807 32.065 > 1 6 S 0.41666666666667 0.33333333333333 0.75030209372807 32.065 > 1 7 S 0.66666666666667 0.33333333333333 0.75030209372807 32.065 > 1 8 S 0.91666666666667 0.33333333333333 0.75030209372807 32.065 > 1 9 S 0.16666666666667 0.58333333333333 0.75030209372807 32.065 > 1 10 S 0.41666666666667 0.58333333333333 0.75030209372807 32.065 > 1 11 S 0.66666666666667 0.58333333333333 0.75030209372807 32.065 > 1 12 S 0.91666666666667 0.58333333333333 0.75030209372807 32.065 > 1 13 S 0.16666666666667 0.83333333333333 0.75030209372807 32.065 > 1 14 S 0.41666666666667 0.83333333333333 0.75030209372807 32.065 > 1 15 S 0.66666666666667 0.83333333333333 0.75030209372807 32.065 > 1 16 S 0.91666666666667 0.83333333333333 0.75030209372807 32.065 > 1 *17 S 0.08333333333333 0.16666666666667 0.91772804355381 32.065 > 2 18 S 0.33333333333333 0.16666666666667 0.91772804355381 32.065 > 2 19 S 0.58333333333333 0.16666666666667 0.91772804355381 32.065 > 2 20 S 0.83333333333333 0.16666666666667 0.91772804355381 32.065 > 2 21 S 0.08333333333333 0.41666666666667 0.91772804355381 32.065 > 2 22 S 0.33333333333333 0.41666666666667 0.91772804355381 32.065 > 2 23 S 0.58333333333333 0.41666666666667 0.91772804355381 32.065 > 2 24 S 0.83333333333333 0.41666666666667 0.91772804355381 32.065 > 2 25 S 0.08333333333333 0.66666666666667 0.91772804355381 32.065 > 2 26 S 0.33333333333333 0.66666666666667 0.91772804355381 32.065 > 2 27 S 0.58333333333333 0.66666666666667 0.91772804355381 32.065 > 2 28 S 0.83333333333333 0.66666666666667 0.91772804355381 32.065 > 2 29 S 0.08333333333333 0.91666666666667 0.91772804355381 32.065 > 2 30 S 0.33333333333333 0.91666666666667 0.91772804355381 32.065 > 2 31 S 0.58333333333333 0.91666666666667 0.91772804355381 32.065 > 2 32 S 0.83333333333333 0.91666666666667 0.91772804355381 32.065 > 2 33 S 0.08333333333333 0.16666666666667 0.08363542706141 32.065 > 1 34 S 0.33333333333333 0.16666666666667 0.08363542706141 32.065 > 1 35 S 0.58333333333333 0.16666666666667 0.08363542706141 32.065 > 1 36 S 0.83333333333333 0.16666666666667 0.08363542706141 32.065 > 1 37 S 0.08333333333333 0.41666666666667 0.08363542706141 32.065 > 1 38 S 0.33333333333333 0.41666666666667 0.08363542706141 32.065 > 1 39 S 0.58333333333333 0.41666666666667 0.08363542706141 32.065 > 1 40 S 0.83333333333333 0.41666666666667 0.08363542706141 32.065 > 1 41 S 0.08333333333333 0.66666666666667 0.08363542706141 32.065 > 1 42 S 0.33333333333333 0.66666666666667 0.08363542706141 32.065 > 1 43 S 0.58333333333333 0.66666666666667 0.08363542706141 32.065 > 1 44 S 0.83333333333333 0.66666666666667 0.08363542706141 32.065 > 1 45 S 0.08333333333333 0.91666666666667 0.08363542706141 32.065 > 1 46 S 0.33333333333333 0.91666666666667 0.08363542706141 32.065 > 1 47 S 0.58333333333333 0.91666666666667 0.08363542706141 32.065 > 1 48 S 0.83333333333333 0.91666666666667 0.08363542706141 32.065 > 1 49 S 0.00000000000000 0.00000000000000 0.25106137688714 32.065 > 2 50 S 0.25000000000000 0.00000000000000 0.25106137688714 32.065 > 2 51 S 0.50000000000000 0.00000000000000 0.25106137688714 32.065 > 2 52 S 0.75000000000000 0.00000000000000 0.25106137688714 32.065 > 2 53 S 0.00000000000000 0.25000000000000 0.25106137688714 32.065 > 2 54 S 0.25000000000000 0.25000000000000 0.25106137688714 32.065 > 2 55 S 0.50000000000000 0.25000000000000 0.25106137688714 32.065 > 2 56 S 0.75000000000000 0.25000000000000 0.25106137688714 32.065 > 2 57 S 0.00000000000000 0.50000000000000 0.25106137688714 32.065 > 2 58 S 0.25000000000000 0.50000000000000 0.25106137688714 32.065 > 2 59 S 0.50000000000000 0.50000000000000 0.25106137688714 32.065 > 2 60 S 0.75000000000000 0.50000000000000 0.25106137688714 32.065 > 2 61 S 0.00000000000000 0.75000000000000 0.25106137688714 32.065 > 2 62 S 0.25000000000000 0.75000000000000 0.25106137688714 32.065 > 2 63 S 0.50000000000000 0.75000000000000 0.25106137688714 32.065 > 2 64 S 0.75000000000000 0.75000000000000 0.25106137688714 32.065 > 2 65 S 0.00000000000000 0.00000000000000 0.41696876039474 32.065 > 1 66 S 0.25000000000000 0.00000000000000 0.41696876039474 32.065 > 1 67 S 0.50000000000000 0.00000000000000 0.41696876039474 32.065 > 1 68 S 0.75000000000000 0.00000000000000 0.41696876039474 32.065 > 1 69 S 0.00000000000000 0.25000000000000 0.41696876039474 32.065 > 1 70 S 0.25000000000000 0.25000000000000 0.41696876039474 32.065 > 1 71 S 0.50000000000000 0.25000000000000 0.41696876039474 32.065 > 1 72 S 0.75000000000000 0.25000000000000 0.41696876039474 32.065 > 1 73 S 0.00000000000000 0.50000000000000 0.41696876039474 32.065 > 1 74 S 0.25000000000000 0.50000000000000 0.41696876039474 32.065 > 1 75 S 0.50000000000000 0.50000000000000 0.41696876039474 32.065 > 1 76 S 0.75000000000000 0.50000000000000 0.41696876039474 32.065 > 1 77 S 0.00000000000000 0.75000000000000 0.41696876039474 32.065 > 1 78 S 0.25000000000000 0.75000000000000 0.41696876039474 32.065 > 1 79 S 0.50000000000000 0.75000000000000 0.41696876039474 32.065 > 1 80 S 0.75000000000000 0.75000000000000 0.41696876039474 32.065 > 1 81 S 0.16666666666667 0.08333333333333 0.58439471022047 32.065 > 2 82 S 0.41666666666667 0.08333333333333 0.58439471022047 32.065 > 2 83 S 0.66666666666667 0.08333333333333 0.58439471022047 32.065 > 2 84 S 0.91666666666667 0.08333333333333 0.58439471022047 32.065 > 2 85 S 0.16666666666667 0.33333333333333 0.58439471022047 32.065 > 2 86 S 0.41666666666667 0.33333333333333 0.58439471022047 32.065 > 2 87 S 0.66666666666667 0.33333333333333 0.58439471022047 32.065 > 2 88 S 0.91666666666667 0.33333333333333 0.58439471022047 32.065 > 2 89 S 0.16666666666667 0.58333333333333 0.58439471022047 32.065 > 2 90 S 0.41666666666667 0.58333333333333 0.58439471022047 32.065 > 2 91 S 0.66666666666667 0.58333333333333 0.58439471022047 32.065 > 2 92 S 0.91666666666667 0.58333333333333 0.58439471022047 32.065 > 2 93 S 0.16666666666667 0.83333333333333 0.58439471022047 32.065 > 2 94 S 0.41666666666667 0.83333333333333 0.58439471022047 32.065 > 2 95 S 0.66666666666667 0.83333333333333 0.58439471022047 32.065 > 2 96 S 0.91666666666667 0.83333333333333 0.58439471022047 32.065 > 2 *97 W 0.08333333333333 0.16666666666667 0.66733653938478 183.840 > 3 98 W 0.33333333333333 0.16666666666667 0.66733653938478 183.840 > 3 99 W 0.58333333333333 0.16666666666667 0.66733653938478 183.840 > 3 100 W 0.83333333333333 0.16666666666667 0.66733653938478 183.840 > 3 101 W 0.08333333333333 0.41666666666667 0.66733653938478 183.840 > 3 102 W 0.33333333333333 0.41666666666667 0.66733653938478 183.840 > 3 103 W 0.58333333333333 0.41666666666667 0.66733653938478 183.840 > 3 104 W 0.83333333333333 0.41666666666667 0.66733653938478 183.840 > 3 105 W 0.08333333333333 0.66666666666667 0.66733653938478 183.840 > 3 106 W 0.33333333333333 0.66666666666667 0.66733653938478 183.840 > 3 107 W 0.58333333333333 0.66666666666667 0.66733653938478 183.840 > 3 108 W 0.83333333333333 0.66666666666667 0.66733653938478 183.840 > 3 109 W 0.08333333333333 0.91666666666667 0.66733653938478 183.840 > 3 110 W 0.33333333333333 0.91666666666667 0.66733653938478 183.840 > 3 111 W 0.58333333333333 0.91666666666667 0.66733653938478 183.840 > 3 112 W 0.83333333333333 0.91666666666667 0.66733653938478 183.840 > 3 113 W 0.00000000000000 0.00000000000000 0.00066987271811 183.840 > 3 114 W 0.25000000000000 0.00000000000000 0.00066987271811 183.840 > 3 115 W 0.50000000000000 0.00000000000000 0.00066987271811 183.840 > 3 116 W 0.75000000000000 0.00000000000000 0.00066987271811 183.840 > 3 117 W 0.00000000000000 0.25000000000000 0.00066987271811 183.840 > 3 118 W 0.25000000000000 0.25000000000000 0.00066987271811 183.840 > 3 119 W 0.50000000000000 0.25000000000000 0.00066987271811 183.840 > 3 120 W 0.75000000000000 0.25000000000000 0.00066987271811 183.840 > 3 121 W 0.00000000000000 0.50000000000000 0.00066987271811 183.840 > 3 122 W 0.25000000000000 0.50000000000000 0.00066987271811 183.840 > 3 123 W 0.50000000000000 0.50000000000000 0.00066987271811 183.840 > 3 124 W 0.75000000000000 0.50000000000000 0.00066987271811 183.840 > 3 125 W 0.00000000000000 0.75000000000000 0.00066987271811 183.840 > 3 126 W 0.25000000000000 0.75000000000000 0.00066987271811 183.840 > 3 127 W 0.50000000000000 0.75000000000000 0.00066987271811 183.840 > 3 128 W 0.75000000000000 0.75000000000000 0.00066987271811 183.840 > 3 129 W 0.16666666666667 0.08333333333333 0.33400320605145 183.840 > 3 130 W 0.41666666666667 0.08333333333333 0.33400320605145 183.840 > 3 131 W 0.66666666666667 0.08333333333333 0.33400320605145 183.840 > 3 132 W 0.91666666666667 0.08333333333333 0.33400320605145 183.840 > 3 133 W 0.16666666666667 0.33333333333333 0.33400320605145 183.840 > 3 134 W 0.41666666666667 0.33333333333333 0.33400320605145 183.840 > 3 135 W 0.66666666666667 0.33333333333333 0.33400320605145 183.840 > 3 136 W 0.91666666666667 0.33333333333333 0.33400320605145 183.840 > 3 137 W 0.16666666666667 0.58333333333333 0.33400320605145 183.840 > 3 138 W 0.41666666666667 0.58333333333333 0.33400320605145 183.840 > 3 139 W 0.66666666666667 0.58333333333333 0.33400320605145 183.840 > 3 140 W 0.91666666666667 0.58333333333333 0.33400320605145 183.840 > 3 141 W 0.16666666666667 0.83333333333333 0.33400320605145 183.840 > 3 142 W 0.41666666666667 0.83333333333333 0.33400320605145 183.840 > 3 143 W 0.66666666666667 0.83333333333333 0.33400320605145 183.840 > 3 144 W 0.91666666666667 0.83333333333333 0.33400320605145 183.840 > 3----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 13.1775642 -0.0000000 0.0000000 0.0000000 13.1775642 0.0000000 0.0000000 0.0000000 5.7712865-------------------------- Born effective charges -------------------------- 1 S 0.2891411 -0.0000000 0.0000000 0.0000000 0.2891411 0.0000000 0.0000000 0.0000000 0.1930104 2 S 0.2968552 -0.0000000 0.0000000 0.0000000 0.2968552 0.0000000 0.0000000 0.0000000 0.2502983 3 W -0.5859964 0.0000000 0.0000000 0.0000000 -0.5859964 0.0000000 0.0000000 0.0000000 -0.4433087----------------------------------------------------------------------------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: 432/432Permutation basis: 2862/2862Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 363Number of blocks in projector: 252Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 135Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 72Use standard eigh solver.Tree of FC basis block matrices:- (363, 357), data: False|-- (72, 69), data: True|-- (135, 135), data: True|-- (156, 153), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.017Solver_block: 80 / 80 - Time: 0.303Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.324--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432Permutation basis: 2862/2862Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 363Number of blocks in projector: 252Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 135Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 72Use standard eigh solver.Tree of FC basis block matrices:- (363, 357), data: False|-- (72, 69), data: True|-- (135, 135), data: True|-- (156, 153), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:34:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:34:40]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [4 4 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R3m (160)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.573294377192004 0.908341932186327 6.299334856666660 b -1.573294377192001 0.908341932186327 6.299334856666660 c 0.000000000000002 -1.816683864372656 6.299334856666660Atomic positions (fractional): 1 S 0.41696876039474 0.41696876039474 0.41696876039474 32.065 2 S 0.25106137688714 0.25106137688714 0.25106137688714 32.065 3 W 0.00066987271811 0.00066987271812 0.00066987271811 183.840-------------------------------- supercell ---------------------------------Lattice vectors: a 12.586355017536023 0.000000000000000 0.000000000000000 b -6.293177508768012 10.900103186235931 0.000000000000000 c 0.000000000000000 0.000000000000000 18.898004570000001Atomic positions (fractional): 1 S 0.16666666666667 0.08333333333333 0.75030209372807 32.065 > 1 2 S 0.41666666666667 0.08333333333333 0.75030209372807 32.065 > 1 3 S 0.66666666666667 0.08333333333333 0.75030209372807 32.065 > 1 4 S 0.91666666666667 0.08333333333333 0.75030209372807 32.065 > 1 5 S 0.16666666666667 0.33333333333333 0.75030209372807 32.065 > 1 6 S 0.41666666666667 0.33333333333333 0.75030209372807 32.065 > 1 7 S 0.66666666666667 0.33333333333333 0.75030209372807 32.065 > 1 8 S 0.91666666666667 0.33333333333333 0.75030209372807 32.065 > 1 9 S 0.16666666666667 0.58333333333333 0.75030209372807 32.065 > 1 10 S 0.41666666666667 0.58333333333333 0.75030209372807 32.065 > 1 11 S 0.66666666666667 0.58333333333333 0.75030209372807 32.065 > 1 12 S 0.91666666666667 0.58333333333333 0.75030209372807 32.065 > 1 13 S 0.16666666666667 0.83333333333333 0.75030209372807 32.065 > 1 14 S 0.41666666666667 0.83333333333333 0.75030209372807 32.065 > 1 15 S 0.66666666666667 0.83333333333333 0.75030209372807 32.065 > 1 16 S 0.91666666666667 0.83333333333333 0.75030209372807 32.065 > 1 17 S 0.08333333333333 0.16666666666667 0.91772804355381 32.065 > 17 18 S 0.33333333333333 0.16666666666667 0.91772804355381 32.065 > 17 19 S 0.58333333333333 0.16666666666667 0.91772804355381 32.065 > 17 20 S 0.83333333333333 0.16666666666667 0.91772804355381 32.065 > 17 21 S 0.08333333333333 0.41666666666667 0.91772804355381 32.065 > 17 22 S 0.33333333333333 0.41666666666667 0.91772804355381 32.065 > 17 23 S 0.58333333333333 0.41666666666667 0.91772804355381 32.065 > 17 24 S 0.83333333333333 0.41666666666667 0.91772804355381 32.065 > 17 25 S 0.08333333333333 0.66666666666667 0.91772804355381 32.065 > 17 26 S 0.33333333333333 0.66666666666667 0.91772804355381 32.065 > 17 27 S 0.58333333333333 0.66666666666667 0.91772804355381 32.065 > 17 28 S 0.83333333333333 0.66666666666667 0.91772804355381 32.065 > 17 29 S 0.08333333333333 0.91666666666667 0.91772804355381 32.065 > 17 30 S 0.33333333333333 0.91666666666667 0.91772804355381 32.065 > 17 31 S 0.58333333333333 0.91666666666667 0.91772804355381 32.065 > 17 32 S 0.83333333333333 0.91666666666667 0.91772804355381 32.065 > 17 33 S 0.08333333333333 0.16666666666667 0.08363542706141 32.065 > 1 34 S 0.33333333333333 0.16666666666667 0.08363542706141 32.065 > 1 35 S 0.58333333333333 0.16666666666667 0.08363542706141 32.065 > 1 36 S 0.83333333333333 0.16666666666667 0.08363542706141 32.065 > 1 37 S 0.08333333333333 0.41666666666667 0.08363542706141 32.065 > 1 38 S 0.33333333333333 0.41666666666667 0.08363542706141 32.065 > 1 39 S 0.58333333333333 0.41666666666667 0.08363542706141 32.065 > 1 40 S 0.83333333333333 0.41666666666667 0.08363542706141 32.065 > 1 41 S 0.08333333333333 0.66666666666667 0.08363542706141 32.065 > 1 42 S 0.33333333333333 0.66666666666667 0.08363542706141 32.065 > 1 43 S 0.58333333333333 0.66666666666667 0.08363542706141 32.065 > 1 44 S 0.83333333333333 0.66666666666667 0.08363542706141 32.065 > 1 45 S 0.08333333333333 0.91666666666667 0.08363542706141 32.065 > 1 46 S 0.33333333333333 0.91666666666667 0.08363542706141 32.065 > 1 47 S 0.58333333333333 0.91666666666667 0.08363542706141 32.065 > 1 48 S 0.83333333333333 0.91666666666667 0.08363542706141 32.065 > 1 49 S 0.00000000000000 0.00000000000000 0.25106137688714 32.065 > 17 50 S 0.25000000000000 0.00000000000000 0.25106137688714 32.065 > 17 51 S 0.50000000000000 0.00000000000000 0.25106137688714 32.065 > 17 52 S 0.75000000000000 0.00000000000000 0.25106137688714 32.065 > 17 53 S 0.00000000000000 0.25000000000000 0.25106137688714 32.065 > 17 54 S 0.25000000000000 0.25000000000000 0.25106137688714 32.065 > 17 55 S 0.50000000000000 0.25000000000000 0.25106137688714 32.065 > 17 56 S 0.75000000000000 0.25000000000000 0.25106137688714 32.065 > 17 57 S 0.00000000000000 0.50000000000000 0.25106137688714 32.065 > 17 58 S 0.25000000000000 0.50000000000000 0.25106137688714 32.065 > 17 59 S 0.50000000000000 0.50000000000000 0.25106137688714 32.065 > 17 60 S 0.75000000000000 0.50000000000000 0.25106137688714 32.065 > 17 61 S 0.00000000000000 0.75000000000000 0.25106137688714 32.065 > 17 62 S 0.25000000000000 0.75000000000000 0.25106137688714 32.065 > 17 63 S 0.50000000000000 0.75000000000000 0.25106137688714 32.065 > 17 64 S 0.75000000000000 0.75000000000000 0.25106137688714 32.065 > 17 65 S 0.00000000000000 0.00000000000000 0.41696876039474 32.065 > 1 66 S 0.25000000000000 0.00000000000000 0.41696876039474 32.065 > 1 67 S 0.50000000000000 0.00000000000000 0.41696876039474 32.065 > 1 68 S 0.75000000000000 0.00000000000000 0.41696876039474 32.065 > 1 69 S 0.00000000000000 0.25000000000000 0.41696876039474 32.065 > 1 70 S 0.25000000000000 0.25000000000000 0.41696876039474 32.065 > 1 71 S 0.50000000000000 0.25000000000000 0.41696876039474 32.065 > 1 72 S 0.75000000000000 0.25000000000000 0.41696876039474 32.065 > 1 73 S 0.00000000000000 0.50000000000000 0.41696876039474 32.065 > 1 74 S 0.25000000000000 0.50000000000000 0.41696876039474 32.065 > 1 75 S 0.50000000000000 0.50000000000000 0.41696876039474 32.065 > 1 76 S 0.75000000000000 0.50000000000000 0.41696876039474 32.065 > 1 77 S 0.00000000000000 0.75000000000000 0.41696876039474 32.065 > 1 78 S 0.25000000000000 0.75000000000000 0.41696876039474 32.065 > 1 79 S 0.50000000000000 0.75000000000000 0.41696876039474 32.065 > 1 80 S 0.75000000000000 0.75000000000000 0.41696876039474 32.065 > 1 81 S 0.16666666666667 0.08333333333333 0.58439471022047 32.065 > 17 82 S 0.41666666666667 0.08333333333333 0.58439471022047 32.065 > 17 83 S 0.66666666666667 0.08333333333333 0.58439471022047 32.065 > 17 84 S 0.91666666666667 0.08333333333333 0.58439471022047 32.065 > 17 85 S 0.16666666666667 0.33333333333333 0.58439471022047 32.065 > 17 86 S 0.41666666666667 0.33333333333333 0.58439471022047 32.065 > 17 87 S 0.66666666666667 0.33333333333333 0.58439471022047 32.065 > 17 88 S 0.91666666666667 0.33333333333333 0.58439471022047 32.065 > 17 89 S 0.16666666666667 0.58333333333333 0.58439471022047 32.065 > 17 90 S 0.41666666666667 0.58333333333333 0.58439471022047 32.065 > 17 91 S 0.66666666666667 0.58333333333333 0.58439471022047 32.065 > 17 92 S 0.91666666666667 0.58333333333333 0.58439471022047 32.065 > 17 93 S 0.16666666666667 0.83333333333333 0.58439471022047 32.065 > 17 94 S 0.41666666666667 0.83333333333333 0.58439471022047 32.065 > 17 95 S 0.66666666666667 0.83333333333333 0.58439471022047 32.065 > 17 96 S 0.91666666666667 0.83333333333333 0.58439471022047 32.065 > 17 97 W 0.08333333333333 0.16666666666667 0.66733653938478 183.840 > 97 98 W 0.33333333333333 0.16666666666667 0.66733653938478 183.840 > 97 99 W 0.58333333333333 0.16666666666667 0.66733653938478 183.840 > 97 100 W 0.83333333333333 0.16666666666667 0.66733653938478 183.840 > 97 101 W 0.08333333333333 0.41666666666667 0.66733653938478 183.840 > 97 102 W 0.33333333333333 0.41666666666667 0.66733653938478 183.840 > 97 103 W 0.58333333333333 0.41666666666667 0.66733653938478 183.840 > 97 104 W 0.83333333333333 0.41666666666667 0.66733653938478 183.840 > 97 105 W 0.08333333333333 0.66666666666667 0.66733653938478 183.840 > 97 106 W 0.33333333333333 0.66666666666667 0.66733653938478 183.840 > 97 107 W 0.58333333333333 0.66666666666667 0.66733653938478 183.840 > 97 108 W 0.83333333333333 0.66666666666667 0.66733653938478 183.840 > 97 109 W 0.08333333333333 0.91666666666667 0.66733653938478 183.840 > 97 110 W 0.33333333333333 0.91666666666667 0.66733653938478 183.840 > 97 111 W 0.58333333333333 0.91666666666667 0.66733653938478 183.840 > 97 112 W 0.83333333333333 0.91666666666667 0.66733653938478 183.840 > 97 113 W 0.00000000000000 0.00000000000000 0.00066987271811 183.840 > 97 114 W 0.25000000000000 0.00000000000000 0.00066987271811 183.840 > 97 115 W 0.50000000000000 0.00000000000000 0.00066987271811 183.840 > 97 116 W 0.75000000000000 0.00000000000000 0.00066987271811 183.840 > 97 117 W 0.00000000000000 0.25000000000000 0.00066987271811 183.840 > 97 118 W 0.25000000000000 0.25000000000000 0.00066987271811 183.840 > 97 119 W 0.50000000000000 0.25000000000000 0.00066987271811 183.840 > 97 120 W 0.75000000000000 0.25000000000000 0.00066987271811 183.840 > 97 121 W 0.00000000000000 0.50000000000000 0.00066987271811 183.840 > 97 122 W 0.25000000000000 0.50000000000000 0.00066987271811 183.840 > 97 123 W 0.50000000000000 0.50000000000000 0.00066987271811 183.840 > 97 124 W 0.75000000000000 0.50000000000000 0.00066987271811 183.840 > 97 125 W 0.00000000000000 0.75000000000000 0.00066987271811 183.840 > 97 126 W 0.25000000000000 0.75000000000000 0.00066987271811 183.840 > 97 127 W 0.50000000000000 0.75000000000000 0.00066987271811 183.840 > 97 128 W 0.75000000000000 0.75000000000000 0.00066987271811 183.840 > 97 129 W 0.16666666666667 0.08333333333333 0.33400320605145 183.840 > 97 130 W 0.41666666666667 0.08333333333333 0.33400320605145 183.840 > 97 131 W 0.66666666666667 0.08333333333333 0.33400320605145 183.840 > 97 132 W 0.91666666666667 0.08333333333333 0.33400320605145 183.840 > 97 133 W 0.16666666666667 0.33333333333333 0.33400320605145 183.840 > 97 134 W 0.41666666666667 0.33333333333333 0.33400320605145 183.840 > 97 135 W 0.66666666666667 0.33333333333333 0.33400320605145 183.840 > 97 136 W 0.91666666666667 0.33333333333333 0.33400320605145 183.840 > 97 137 W 0.16666666666667 0.58333333333333 0.33400320605145 183.840 > 97 138 W 0.41666666666667 0.58333333333333 0.33400320605145 183.840 > 97 139 W 0.66666666666667 0.58333333333333 0.33400320605145 183.840 > 97 140 W 0.91666666666667 0.58333333333333 0.33400320605145 183.840 > 97 141 W 0.16666666666667 0.83333333333333 0.33400320605145 183.840 > 97 142 W 0.41666666666667 0.83333333333333 0.33400320605145 183.840 > 97 143 W 0.66666666666667 0.83333333333333 0.33400320605145 183.840 > 97 144 W 0.91666666666667 0.83333333333333 0.33400320605145 183.840 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 13.1775642 -0.0000000 0.0000000 0.0000000 13.1775642 0.0000000 0.0000000 0.0000000 5.7712865-------------------------- Born effective charges -------------------------- 1 S 0.2891411 -0.0000000 0.0000000 0.0000000 0.2891411 0.0000000 0.0000000 0.0000000 0.1930104 2 S 0.2968552 -0.0000000 0.0000000 0.0000000 0.2968552 0.0000000 0.0000000 0.0000000 0.2502983 3 W -0.5859964 0.0000000 0.0000000 0.0000000 -0.5859964 0.0000000 0.0000000 0.0000000 -0.4433087----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:34:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:34:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [4 4 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R3m (160)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.573294377192004 0.908341932186327 6.299334856666660 b -1.573294377192001 0.908341932186327 6.299334856666660 c 0.000000000000002 -1.816683864372656 6.299334856666660Atomic positions (fractional): 1 S 0.41696876039474 0.41696876039474 0.41696876039474 32.065 2 S 0.25106137688714 0.25106137688714 0.25106137688714 32.065 3 W 0.00066987271811 0.00066987271812 0.00066987271811 183.840-------------------------------- supercell ---------------------------------Lattice vectors: a 12.586355017536023 0.000000000000000 0.000000000000000 b -6.293177508768012 10.900103186235931 0.000000000000000 c 0.000000000000000 0.000000000000000 18.898004570000001Atomic positions (fractional): 1 S 0.16666666666667 0.08333333333333 0.75030209372807 32.065 > 1 2 S 0.41666666666667 0.08333333333333 0.75030209372807 32.065 > 1 3 S 0.66666666666667 0.08333333333333 0.75030209372807 32.065 > 1 4 S 0.91666666666667 0.08333333333333 0.75030209372807 32.065 > 1 5 S 0.16666666666667 0.33333333333333 0.75030209372807 32.065 > 1 6 S 0.41666666666667 0.33333333333333 0.75030209372807 32.065 > 1 7 S 0.66666666666667 0.33333333333333 0.75030209372807 32.065 > 1 8 S 0.91666666666667 0.33333333333333 0.75030209372807 32.065 > 1 9 S 0.16666666666667 0.58333333333333 0.75030209372807 32.065 > 1 10 S 0.41666666666667 0.58333333333333 0.75030209372807 32.065 > 1 11 S 0.66666666666667 0.58333333333333 0.75030209372807 32.065 > 1 12 S 0.91666666666667 0.58333333333333 0.75030209372807 32.065 > 1 13 S 0.16666666666667 0.83333333333333 0.75030209372807 32.065 > 1 14 S 0.41666666666667 0.83333333333333 0.75030209372807 32.065 > 1 15 S 0.66666666666667 0.83333333333333 0.75030209372807 32.065 > 1 16 S 0.91666666666667 0.83333333333333 0.75030209372807 32.065 > 1 17 S 0.08333333333333 0.16666666666667 0.91772804355381 32.065 > 17 18 S 0.33333333333333 0.16666666666667 0.91772804355381 32.065 > 17 19 S 0.58333333333333 0.16666666666667 0.91772804355381 32.065 > 17 20 S 0.83333333333333 0.16666666666667 0.91772804355381 32.065 > 17 21 S 0.08333333333333 0.41666666666667 0.91772804355381 32.065 > 17 22 S 0.33333333333333 0.41666666666667 0.91772804355381 32.065 > 17 23 S 0.58333333333333 0.41666666666667 0.91772804355381 32.065 > 17 24 S 0.83333333333333 0.41666666666667 0.91772804355381 32.065 > 17 25 S 0.08333333333333 0.66666666666667 0.91772804355381 32.065 > 17 26 S 0.33333333333333 0.66666666666667 0.91772804355381 32.065 > 17 27 S 0.58333333333333 0.66666666666667 0.91772804355381 32.065 > 17 28 S 0.83333333333333 0.66666666666667 0.91772804355381 32.065 > 17 29 S 0.08333333333333 0.91666666666667 0.91772804355381 32.065 > 17 30 S 0.33333333333333 0.91666666666667 0.91772804355381 32.065 > 17 31 S 0.58333333333333 0.91666666666667 0.91772804355381 32.065 > 17 32 S 0.83333333333333 0.91666666666667 0.91772804355381 32.065 > 17 33 S 0.08333333333333 0.16666666666667 0.08363542706141 32.065 > 1 34 S 0.33333333333333 0.16666666666667 0.08363542706141 32.065 > 1 35 S 0.58333333333333 0.16666666666667 0.08363542706141 32.065 > 1 36 S 0.83333333333333 0.16666666666667 0.08363542706141 32.065 > 1 37 S 0.08333333333333 0.41666666666667 0.08363542706141 32.065 > 1 38 S 0.33333333333333 0.41666666666667 0.08363542706141 32.065 > 1 39 S 0.58333333333333 0.41666666666667 0.08363542706141 32.065 > 1 40 S 0.83333333333333 0.41666666666667 0.08363542706141 32.065 > 1 41 S 0.08333333333333 0.66666666666667 0.08363542706141 32.065 > 1 42 S 0.33333333333333 0.66666666666667 0.08363542706141 32.065 > 1 43 S 0.58333333333333 0.66666666666667 0.08363542706141 32.065 > 1 44 S 0.83333333333333 0.66666666666667 0.08363542706141 32.065 > 1 45 S 0.08333333333333 0.91666666666667 0.08363542706141 32.065 > 1 46 S 0.33333333333333 0.91666666666667 0.08363542706141 32.065 > 1 47 S 0.58333333333333 0.91666666666667 0.08363542706141 32.065 > 1 48 S 0.83333333333333 0.91666666666667 0.08363542706141 32.065 > 1 49 S 0.00000000000000 0.00000000000000 0.25106137688714 32.065 > 17 50 S 0.25000000000000 0.00000000000000 0.25106137688714 32.065 > 17 51 S 0.50000000000000 0.00000000000000 0.25106137688714 32.065 > 17 52 S 0.75000000000000 0.00000000000000 0.25106137688714 32.065 > 17 53 S 0.00000000000000 0.25000000000000 0.25106137688714 32.065 > 17 54 S 0.25000000000000 0.25000000000000 0.25106137688714 32.065 > 17 55 S 0.50000000000000 0.25000000000000 0.25106137688714 32.065 > 17 56 S 0.75000000000000 0.25000000000000 0.25106137688714 32.065 > 17 57 S 0.00000000000000 0.50000000000000 0.25106137688714 32.065 > 17 58 S 0.25000000000000 0.50000000000000 0.25106137688714 32.065 > 17 59 S 0.50000000000000 0.50000000000000 0.25106137688714 32.065 > 17 60 S 0.75000000000000 0.50000000000000 0.25106137688714 32.065 > 17 61 S 0.00000000000000 0.75000000000000 0.25106137688714 32.065 > 17 62 S 0.25000000000000 0.75000000000000 0.25106137688714 32.065 > 17 63 S 0.50000000000000 0.75000000000000 0.25106137688714 32.065 > 17 64 S 0.75000000000000 0.75000000000000 0.25106137688714 32.065 > 17 65 S 0.00000000000000 0.00000000000000 0.41696876039474 32.065 > 1 66 S 0.25000000000000 0.00000000000000 0.41696876039474 32.065 > 1 67 S 0.50000000000000 0.00000000000000 0.41696876039474 32.065 > 1 68 S 0.75000000000000 0.00000000000000 0.41696876039474 32.065 > 1 69 S 0.00000000000000 0.25000000000000 0.41696876039474 32.065 > 1 70 S 0.25000000000000 0.25000000000000 0.41696876039474 32.065 > 1 71 S 0.50000000000000 0.25000000000000 0.41696876039474 32.065 > 1 72 S 0.75000000000000 0.25000000000000 0.41696876039474 32.065 > 1 73 S 0.00000000000000 0.50000000000000 0.41696876039474 32.065 > 1 74 S 0.25000000000000 0.50000000000000 0.41696876039474 32.065 > 1 75 S 0.50000000000000 0.50000000000000 0.41696876039474 32.065 > 1 76 S 0.75000000000000 0.50000000000000 0.41696876039474 32.065 > 1 77 S 0.00000000000000 0.75000000000000 0.41696876039474 32.065 > 1 78 S 0.25000000000000 0.75000000000000 0.41696876039474 32.065 > 1 79 S 0.50000000000000 0.75000000000000 0.41696876039474 32.065 > 1 80 S 0.75000000000000 0.75000000000000 0.41696876039474 32.065 > 1 81 S 0.16666666666667 0.08333333333333 0.58439471022047 32.065 > 17 82 S 0.41666666666667 0.08333333333333 0.58439471022047 32.065 > 17 83 S 0.66666666666667 0.08333333333333 0.58439471022047 32.065 > 17 84 S 0.91666666666667 0.08333333333333 0.58439471022047 32.065 > 17 85 S 0.16666666666667 0.33333333333333 0.58439471022047 32.065 > 17 86 S 0.41666666666667 0.33333333333333 0.58439471022047 32.065 > 17 87 S 0.66666666666667 0.33333333333333 0.58439471022047 32.065 > 17 88 S 0.91666666666667 0.33333333333333 0.58439471022047 32.065 > 17 89 S 0.16666666666667 0.58333333333333 0.58439471022047 32.065 > 17 90 S 0.41666666666667 0.58333333333333 0.58439471022047 32.065 > 17 91 S 0.66666666666667 0.58333333333333 0.58439471022047 32.065 > 17 92 S 0.91666666666667 0.58333333333333 0.58439471022047 32.065 > 17 93 S 0.16666666666667 0.83333333333333 0.58439471022047 32.065 > 17 94 S 0.41666666666667 0.83333333333333 0.58439471022047 32.065 > 17 95 S 0.66666666666667 0.83333333333333 0.58439471022047 32.065 > 17 96 S 0.91666666666667 0.83333333333333 0.58439471022047 32.065 > 17 97 W 0.08333333333333 0.16666666666667 0.66733653938478 183.840 > 97 98 W 0.33333333333333 0.16666666666667 0.66733653938478 183.840 > 97 99 W 0.58333333333333 0.16666666666667 0.66733653938478 183.840 > 97 100 W 0.83333333333333 0.16666666666667 0.66733653938478 183.840 > 97 101 W 0.08333333333333 0.41666666666667 0.66733653938478 183.840 > 97 102 W 0.33333333333333 0.41666666666667 0.66733653938478 183.840 > 97 103 W 0.58333333333333 0.41666666666667 0.66733653938478 183.840 > 97 104 W 0.83333333333333 0.41666666666667 0.66733653938478 183.840 > 97 105 W 0.08333333333333 0.66666666666667 0.66733653938478 183.840 > 97 106 W 0.33333333333333 0.66666666666667 0.66733653938478 183.840 > 97 107 W 0.58333333333333 0.66666666666667 0.66733653938478 183.840 > 97 108 W 0.83333333333333 0.66666666666667 0.66733653938478 183.840 > 97 109 W 0.08333333333333 0.91666666666667 0.66733653938478 183.840 > 97 110 W 0.33333333333333 0.91666666666667 0.66733653938478 183.840 > 97 111 W 0.58333333333333 0.91666666666667 0.66733653938478 183.840 > 97 112 W 0.83333333333333 0.91666666666667 0.66733653938478 183.840 > 97 113 W 0.00000000000000 0.00000000000000 0.00066987271811 183.840 > 97 114 W 0.25000000000000 0.00000000000000 0.00066987271811 183.840 > 97 115 W 0.50000000000000 0.00000000000000 0.00066987271811 183.840 > 97 116 W 0.75000000000000 0.00000000000000 0.00066987271811 183.840 > 97 117 W 0.00000000000000 0.25000000000000 0.00066987271811 183.840 > 97 118 W 0.25000000000000 0.25000000000000 0.00066987271811 183.840 > 97 119 W 0.50000000000000 0.25000000000000 0.00066987271811 183.840 > 97 120 W 0.75000000000000 0.25000000000000 0.00066987271811 183.840 > 97 121 W 0.00000000000000 0.50000000000000 0.00066987271811 183.840 > 97 122 W 0.25000000000000 0.50000000000000 0.00066987271811 183.840 > 97 123 W 0.50000000000000 0.50000000000000 0.00066987271811 183.840 > 97 124 W 0.75000000000000 0.50000000000000 0.00066987271811 183.840 > 97 125 W 0.00000000000000 0.75000000000000 0.00066987271811 183.840 > 97 126 W 0.25000000000000 0.75000000000000 0.00066987271811 183.840 > 97 127 W 0.50000000000000 0.75000000000000 0.00066987271811 183.840 > 97 128 W 0.75000000000000 0.75000000000000 0.00066987271811 183.840 > 97 129 W 0.16666666666667 0.08333333333333 0.33400320605145 183.840 > 97 130 W 0.41666666666667 0.08333333333333 0.33400320605145 183.840 > 97 131 W 0.66666666666667 0.08333333333333 0.33400320605145 183.840 > 97 132 W 0.91666666666667 0.08333333333333 0.33400320605145 183.840 > 97 133 W 0.16666666666667 0.33333333333333 0.33400320605145 183.840 > 97 134 W 0.41666666666667 0.33333333333333 0.33400320605145 183.840 > 97 135 W 0.66666666666667 0.33333333333333 0.33400320605145 183.840 > 97 136 W 0.91666666666667 0.33333333333333 0.33400320605145 183.840 > 97 137 W 0.16666666666667 0.58333333333333 0.33400320605145 183.840 > 97 138 W 0.41666666666667 0.58333333333333 0.33400320605145 183.840 > 97 139 W 0.66666666666667 0.58333333333333 0.33400320605145 183.840 > 97 140 W 0.91666666666667 0.58333333333333 0.33400320605145 183.840 > 97 141 W 0.16666666666667 0.83333333333333 0.33400320605145 183.840 > 97 142 W 0.41666666666667 0.83333333333333 0.33400320605145 183.840 > 97 143 W 0.66666666666667 0.83333333333333 0.33400320605145 183.840 > 97 144 W 0.91666666666667 0.83333333333333 0.33400320605145 183.840 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 13.1775642 -0.0000000 0.0000000 0.0000000 13.1775642 0.0000000 0.0000000 0.0000000 5.7712865-------------------------- Born effective charges -------------------------- 1 S 0.2891411 -0.0000000 0.0000000 0.0000000 0.2891411 0.0000000 0.0000000 0.0000000 0.1930104 2 S 0.2968552 -0.0000000 0.0000000 0.0000000 0.2968552 0.0000000 0.0000000 0.0000000 0.2502983 3 W -0.5859964 0.0000000 0.0000000 0.0000000 -0.5859964 0.0000000 0.0000000 0.0000000 -0.4433087----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 19 19 19 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.10, Number of G-points: 289, Lambda: 0.37Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/670) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 670Calculating 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 8.873 ( 0.000 0.000 0.000) 0.000 8.873 ( 0.000 -0.000 0.000) 0.000 10.606 ( 0.000 -0.000 0.000) 0.000 10.606 ( 0.000 0.000 0.000) 0.000 12.493 ( -0.000 0.000 -0.000) 0.000 13.039 ( 0.000 -0.000 0.000) 0.000======================= Grid point 1 (2/670) =======================q-point: ( 0.05 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.302 ( 15.197 8.774 1.629) 17.623 0.690 ( 30.663 17.703 -0.366) 35.409 1.089 ( 47.921 27.667 0.952) 55.342 8.899 ( 2.312 1.335 0.123) 2.673 8.944 ( 6.299 3.637 -0.333) 7.282 10.597 ( -0.835 -0.482 -0.002) 0.964 10.621 ( -0.522 -0.301 -0.003) 0.602 12.481 ( -1.050 -0.606 -0.156) 1.222 12.974 ( -5.847 -3.376 0.276) 6.757======================= Grid point 2 (3/670) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( 21.128 12.198 0.052) 24.396 1.358 ( 29.135 16.821 -0.381) 33.645 2.125 ( 44.417 25.644 0.743) 51.294 8.973 ( 4.210 2.430 0.216) 4.866 9.141 ( 11.188 6.460 -0.504) 12.929 10.569 ( -1.652 -0.954 -0.008) 1.908 10.606 ( -0.755 -0.436 0.233) 0.902 12.448 ( -1.852 -1.069 -0.333) 2.164 12.785 ( -11.015 -6.360 0.333) 12.724======================= Grid point 3 (4/670) =======================q-point: ( 0.16 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.238 ( 26.235 15.147 -1.399) 30.326 1.980 ( 26.610 15.363 -0.390) 30.729 3.058 ( 38.717 22.353 0.429) 44.708 9.083 ( 5.402 3.119 0.257) 6.243 9.424 ( 13.963 8.062 -0.444) 16.129 10.524 ( -2.384 -1.376 -0.016) 2.753 10.594 ( -0.313 -0.181 0.468) 0.591 12.397 ( -2.904 -1.677 -0.631) 3.412 12.496 ( -14.361 -8.291 0.533) 16.591======================= Grid point 4 (5/670) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.852 ( 28.898 16.685 -2.449) 33.459 2.536 ( 23.150 13.366 -0.374) 26.734 3.841 ( 31.206 18.017 0.067) 36.033 9.210 ( 5.790 3.343 0.246) 6.691 9.746 ( 14.620 8.441 -0.167) 16.883 10.464 ( -2.895 -1.672 -0.024) 3.343 10.602 ( 1.019 0.588 0.719) 1.379 12.124 ( -17.208 -9.935 0.271) 19.872 12.353 ( -2.465 -1.423 -0.474) 2.885======================= Grid point 5 (6/670) =======================q-point: ( 0.26 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.493 ( 28.760 16.605 -3.077) 33.352 3.005 ( 18.918 10.922 -0.326) 21.847 4.443 ( 22.747 13.133 -0.267) 26.267 9.337 ( 5.453 3.148 0.196) 6.300 10.062 ( 13.394 7.733 0.293) 15.469 10.397 ( -3.035 -1.752 -0.029) 3.505 10.648 ( 2.968 1.714 0.934) 3.553 11.732 ( -17.563 -10.140 0.341) 20.283 12.299 ( -2.218 -1.281 -0.688) 2.652======================= Grid point 6 (7/670) =======================q-point: ( 0.32 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.098 ( 25.902 14.954 -3.274) 30.088 3.375 ( 14.237 8.220 -0.249) 16.441 4.857 ( 14.669 8.469 -0.487) 16.945 9.450 ( 4.581 2.645 0.129) 5.291 10.330 ( 10.143 5.856 0.947) 11.751 10.332 ( -2.732 -1.577 -0.028) 3.155 10.737 ( 4.637 2.677 1.036) 5.454 11.364 ( -15.010 -8.666 0.139) 17.333 12.250 ( -1.956 -1.129 -0.787) 2.392======================= Grid point 7 (8/670) =======================q-point: ( 0.37 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.612 ( 20.589 11.887 -2.978) 23.960 3.639 ( 9.573 5.527 -0.161) 11.055 5.107 ( 8.216 4.744 -0.531) 9.502 9.539 ( 3.391 1.958 0.069) 3.916 10.278 ( -2.067 -1.193 -0.024) 2.387 10.493 ( 3.276 1.891 1.775) 4.178 10.851 ( 5.027 2.902 0.968) 5.884 11.098 ( -7.780 -4.492 -0.485) 8.996 12.208 ( -1.572 -0.908 -0.764) 1.969======================= Grid point 8 (9/670) =======================q-point: ( 0.42 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.804 ( 5.355 3.092 -0.083) 6.184 3.986 ( 13.261 7.656 -2.126) 15.460 5.237 ( 3.845 2.220 -0.399) 4.458 9.601 ( 2.060 1.189 0.028) 2.379 10.241 ( -1.237 -0.714 -0.016) 1.429 10.479 ( -3.687 -2.129 1.712) 4.588 10.956 ( 3.950 2.281 0.733) 4.620 11.027 ( 0.394 0.228 -0.673) 0.812 12.177 ( -1.036 -0.598 -0.574) 1.327======================= Grid point 9 (10/670) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.882 ( 1.700 0.981 -0.025) 1.963 4.182 ( 4.580 2.644 -0.778) 5.346 5.289 ( 1.086 0.627 -0.146) 1.262 9.631 ( 0.688 0.397 0.006) 0.795 10.223 ( -0.404 -0.233 -0.006) 0.467 10.407 ( -2.128 -1.228 0.624) 2.535 11.022 ( 1.648 0.952 0.376) 1.940 11.048 ( 0.759 0.438 -0.322) 0.934 12.160 ( -0.364 -0.210 -0.216) 0.473======================= Grid point 20 (11/670) =======================q-point: ( 0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.314 ( 0.000 17.149 4.369) 17.697 0.700 ( 0.000 35.295 1.955) 35.349 1.086 ( 0.000 55.251 0.104) 55.251 8.896 ( -0.000 2.568 -0.485) 2.614 8.945 ( 0.000 7.375 0.047) 7.375 10.598 ( 0.000 -0.935 0.194) 0.955 10.620 ( -0.000 -0.579 -0.200) 0.613 12.481 ( -0.000 -1.217 -0.310) 1.256 12.975 ( 0.000 -6.807 0.540) 6.828======================= Grid point 21 (12/670) =======================q-point: ( 0.11 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( 10.535 19.467 2.233) 22.247 1.203 ( 17.037 30.892 0.870) 35.289 1.846 ( 26.316 44.707 0.441) 51.879 8.947 ( 2.473 3.671 -0.375) 4.443 9.078 ( 5.549 10.176 -0.168) 11.591 10.580 ( -0.884 -1.351 0.176) 1.624 10.610 ( -0.355 -0.818 0.086) 0.896 12.457 ( -0.971 -1.692 -0.490) 2.012 12.848 ( -5.633 -9.740 0.539) 11.265======================= Grid point 22 (13/670) =======================q-point: ( 0.16 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( 17.984 21.528 -0.061) 28.051 1.801 ( 19.818 27.260 0.247) 33.703 2.723 ( 31.565 33.795 0.364) 46.245 9.043 ( 4.046 4.648 -0.179) 6.164 9.315 ( 9.865 11.435 -0.274) 15.105 10.544 ( -1.689 -1.673 0.141) 2.381 10.596 ( -0.329 -0.687 0.358) 0.842 12.414 ( -1.740 -2.106 -0.734) 2.829 12.609 ( -10.319 -11.895 0.652) 15.761======================= Grid point 23 (14/670) =======================q-point: ( 0.21 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( 23.035 22.395 -1.657) 32.169 2.374 ( 18.406 24.484 0.004) 30.630 3.525 ( 29.781 24.672 0.050) 38.673 9.165 ( 4.734 5.341 -0.082) 7.138 9.613 ( 12.241 11.282 -0.105) 16.647 10.494 ( -2.372 -1.610 0.120) 2.869 10.593 ( 0.457 -0.251 0.618) 0.809 12.271 ( -13.064 -12.631 0.140) 18.172 12.373 ( -2.716 -2.894 -0.334) 3.983======================= Grid point 24 (15/670) =======================q-point: ( 0.26 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 25.325 21.679 -2.612) 33.439 2.880 ( 15.178 21.684 -0.079) 26.469 4.181 ( 24.654 16.550 -0.304) 29.695 9.298 ( 4.572 5.711 -0.064) 7.316 9.927 ( 12.657 10.028 0.279) 16.150 10.436 ( -2.993 -1.136 0.103) 3.204 10.617 ( 2.226 0.476 0.861) 2.434 11.897 ( -15.482 -13.533 0.504) 20.569 12.313 ( -1.880 -2.354 -0.820) 3.122======================= Grid point 25 (16/670) =======================q-point: ( 0.32 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.827 ( 24.784 19.453 -3.030) 31.652 3.294 ( 11.033 18.580 -0.078) 21.609 4.664 ( 18.168 9.597 -0.575) 20.555 9.423 ( 3.709 5.811 -0.094) 6.894 10.218 ( 11.162 7.836 0.840) 13.663 10.375 ( -3.326 -0.457 0.104) 3.359 10.683 ( 4.318 1.295 1.012) 4.621 11.515 ( -14.862 -12.355 0.439) 19.332 12.258 ( -1.526 -2.524 -0.969) 3.104======================= Grid point 26 (17/670) =======================q-point: ( 0.37 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.382 ( 21.561 15.923 -2.929) 26.963 3.605 ( 6.636 15.254 -0.038) 16.635 4.978 ( 11.967 4.352 -0.681) 12.752 9.530 ( 2.372 5.713 -0.138) 6.187 10.319 ( -3.181 0.238 0.111) 3.192 10.438 ( 6.965 4.238 1.635) 8.316 10.786 ( 5.587 1.678 1.020) 5.922 11.189 ( -10.717 -9.064 -0.049) 14.036 12.209 ( -0.994 -2.686 -0.998) 3.033======================= Grid point 27 (18/670) =======================q-point: ( 0.42 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.812 ( 3.580 11.906 0.059) 12.433 3.825 ( 14.942 11.500 -2.328) 18.998 5.158 ( 7.097 1.011 -0.602) 7.194 9.611 ( 0.789 5.460 -0.173) 5.519 10.275 ( -2.648 0.886 0.129) 2.795 10.508 ( -1.136 -1.667 2.242) 3.016 10.897 ( 5.333 1.322 0.882) 5.565 11.022 ( -1.761 -2.896 -0.765) 3.475 12.169 ( -0.287 -2.726 -0.874) 2.877======================= Grid point 28 (19/670) =======================q-point: ( 0.47 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.928 ( -0.965 9.278 0.106) 9.329 4.111 ( 8.494 6.206 -1.160) 10.583 5.245 ( 3.731 -0.890 -0.384) 3.855 9.660 ( -0.866 5.030 -0.188) 5.108 10.249 ( -1.911 1.438 0.144) 2.396 10.433 ( -3.285 -3.470 1.451) 4.994 10.985 ( 3.684 0.391 0.630) 3.758 11.022 ( 1.947 -0.496 -0.606) 2.099 12.143 ( 0.548 -2.567 -0.575) 2.687======================= Grid point 29 (20/670) =======================q-point: (-0.47 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.964 ( -4.150 7.165 0.155) 8.282 4.215 ( -0.179 0.877 0.314) 0.948 5.271 ( 1.349 -2.183 -0.107) 2.568 9.677 ( -2.465 4.326 -0.185) 4.983 10.240 ( -1.130 1.918 0.161) 2.232 10.383 ( 0.451 -1.391 0.213) 1.477 11.019 ( 0.557 -1.392 -0.136) 1.506 11.039 ( 0.897 -1.162 0.083) 1.470 12.135 ( 1.402 -2.192 -0.157) 2.607======================= Grid point 30 (21/670) =======================q-point: (-0.42 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.928 ( -7.573 5.461 0.207) 9.339 4.123 ( -9.176 -4.045 1.711) 10.173 5.248 ( -0.968 -3.615 0.154) 3.746 9.660 ( -3.888 3.305 -0.185) 5.106 10.249 ( -0.329 2.358 0.174) 2.387 10.422 ( 4.173 0.823 -0.972) 4.363 10.980 ( -2.263 -3.095 -0.640) 3.887 11.027 ( -0.445 -1.825 0.523) 1.950 12.147 ( 2.125 -1.655 0.243) 2.705======================= Grid point 31 (22/670) =======================q-point: (-0.37 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.812 ( -11.871 3.251 0.259) 12.311 3.846 ( -17.372 -7.531 2.688) 19.124 5.162 ( -4.332 -5.604 0.329) 7.091 9.610 ( -5.101 2.091 -0.208) 5.517 10.275 ( 0.519 2.719 0.176) 2.774 10.491 ( 1.915 0.060 -1.670) 2.541 10.890 ( -3.890 -4.006 -0.846) 5.648 11.028 ( 3.321 0.058 0.700) 3.394 12.175 ( 2.621 -1.043 0.500) 2.865======================= Grid point 32 (23/670) =======================q-point: (-0.32 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.407 ( -24.399 -10.803 3.018) 26.854 3.607 ( -16.561 1.869 0.398) 16.671 4.983 ( -9.721 -8.179 0.356) 12.709 9.530 ( -6.122 0.853 -0.252) 6.186 10.319 ( 1.350 2.858 0.170) 3.166 10.427 ( -6.865 -3.801 -1.143) 7.930 10.777 ( -4.283 -4.001 -0.975) 5.941 11.191 ( 12.927 4.597 0.220) 13.722 12.216 ( 2.881 -0.442 0.584) 2.973======================= Grid point 33 (24/670) =======================q-point: (-0.26 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.852 ( -29.212 -11.966 2.912) 31.702 3.296 ( -21.627 -0.305 0.450) 21.634 4.667 ( -17.430 -10.946 0.224) 20.584 9.423 ( -6.882 -0.238 -0.300) 6.893 10.213 ( -12.162 -5.683 -0.417) 13.431 10.375 ( 2.029 2.629 0.152) 3.324 10.675 ( -3.261 -3.055 -0.927) 4.564 11.512 ( 18.023 6.621 -0.148) 19.202 12.264 ( 2.963 0.077 0.533) 3.011======================= Grid point 34 (25/670) =======================q-point: (-0.21 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.234 ( -31.535 -11.456 2.390) 33.636 2.882 ( -26.387 -2.396 0.479) 26.500 4.182 ( -26.750 -13.083 -0.011) 29.778 9.297 ( -7.231 -1.000 -0.327) 7.307 9.926 ( -14.861 -5.945 0.046) 16.006 10.436 ( 2.452 1.988 0.126) 3.160 10.610 ( -1.472 -1.620 -0.723) 2.305 11.894 ( 19.451 6.616 -0.199) 20.547 12.318 ( 2.953 0.452 0.398) 3.014======================= Grid point 35 (26/670) =======================q-point: (-0.16 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( -31.155 -9.261 1.562) 32.539 2.376 ( -30.426 -3.885 0.454) 30.677 3.524 ( -36.385 -13.414 -0.241) 38.780 9.164 ( -6.993 -1.269 -0.302) 7.113 9.614 ( -15.773 -5.037 0.283) 16.560 10.494 ( 2.562 1.193 0.085) 2.828 10.588 ( 0.043 -0.429 -0.449) 0.623 12.270 ( 17.860 5.107 -0.042) 18.576 12.375 ( 3.452 0.781 0.139) 3.542======================= Grid point 36 (27/670) =======================q-point: (-0.11 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( -28.078 -5.456 0.587) 28.609 1.801 ( -33.544 -3.901 0.335) 33.772 2.720 ( -45.201 -10.268 -0.321) 46.354 9.042 ( -6.049 -0.940 -0.198) 6.124 9.317 ( -14.755 -3.010 0.274) 15.062 10.543 ( 2.288 0.555 0.044) 2.355 10.594 ( 0.798 0.041 -0.194) 0.823 12.418 ( 2.640 0.454 0.184) 2.685 12.606 ( 15.488 2.978 -0.157) 15.773======================= Grid point 37 (28/670) =======================q-point: (-0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( -22.797 0.000 0.000) 22.797 1.199 ( -35.393 0.000 0.000) 35.393 1.845 ( -51.993 0.000 0.000) 51.993 8.949 ( -4.413 0.000 0.000) 4.413 9.079 ( -11.555 0.000 0.000) 11.555 10.579 ( 1.609 -0.000 -0.000) 1.609 10.609 ( 0.927 -0.000 -0.000) 0.927 12.459 ( 1.938 -0.000 -0.000) 1.938 12.846 ( 11.223 -0.000 -0.000) 11.223======================= Grid point 40 (29/670) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.733 ( 0.000 24.260 2.816) 24.422 1.377 ( 0.000 33.539 1.847) 33.590 2.118 ( 0.000 51.219 -0.108) 51.219 8.964 ( -0.000 4.699 -0.884) 4.782 9.147 ( 0.000 13.075 0.185) 13.076 10.572 ( 0.000 -1.848 0.368) 1.884 10.604 ( 0.000 -0.926 0.007) 0.926 12.445 ( -0.000 -2.173 -0.670) 2.274 12.788 ( 0.000 -12.715 0.682) 12.733======================= Grid point 41 (30/670) =======================q-point: ( 0.16 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( 8.172 26.998 1.345) 28.240 1.816 ( 12.630 31.135 1.321) 33.625 2.717 ( 14.054 44.010 -0.120) 46.200 9.033 ( 2.615 5.496 -0.842) 6.144 9.321 ( 4.462 14.529 0.180) 15.200 10.547 ( -0.795 -2.167 0.374) 2.339 10.594 ( -0.188 -0.802 0.181) 0.843 12.412 ( -0.941 -2.623 -0.908) 2.931 12.612 ( -5.172 -14.822 0.821) 15.719======================= Grid point 42 (31/670) =======================q-point: ( 0.21 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 14.655 27.892 -0.390) 31.510 2.356 ( 15.886 28.931 0.717) 33.013 3.379 ( 19.521 33.089 -0.217) 38.419 9.147 ( 4.193 6.251 -0.647) 7.555 9.567 ( 7.824 14.292 0.218) 16.295 10.509 ( -1.349 -1.914 0.350) 2.367 10.586 ( 0.006 -0.562 0.416) 0.699 12.317 ( -7.640 -13.233 -0.231) 15.282 12.384 ( -3.349 -5.756 0.040) 6.660======================= Grid point 43 (32/670) =======================q-point: ( 0.26 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( 18.989 26.886 -1.672) 32.958 2.884 ( 14.043 27.195 0.346) 30.609 3.980 ( 20.020 21.991 -0.440) 29.743 9.284 ( 4.591 7.001 -0.494) 8.386 9.847 ( 9.724 12.643 0.449) 15.956 10.469 ( -1.926 -0.914 0.307) 2.154 10.591 ( 1.112 -0.300 0.676) 1.336 11.987 ( -12.217 -16.465 0.646) 20.513 12.315 ( -1.824 -3.019 -0.940) 3.651======================= Grid point 44 (33/670) =======================q-point: ( 0.32 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.646 ( 20.772 24.221 -2.394) 31.998 3.340 ( 9.932 25.018 0.152) 26.917 4.459 ( 17.562 12.299 -0.661) 21.451 9.427 ( 3.977 7.681 -0.417) 8.659 10.126 ( 9.955 9.985 0.874) 14.127 10.428 ( -2.803 0.361 0.261) 2.838 10.628 ( 3.276 0.125 0.895) 3.398 11.618 ( -13.159 -15.450 0.681) 20.306 12.252 ( -1.635 -3.373 -1.130) 3.915======================= Grid point 45 (34/670) =======================q-point: ( 0.37 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.198 ( 19.899 20.248 -2.574) 28.505 3.693 ( 5.148 21.890 0.062) 22.487 4.802 ( 13.730 5.197 -0.761) 14.700 9.559 ( 2.614 8.228 -0.395) 8.642 10.363 ( 7.402 5.964 1.403) 9.608 10.386 ( -2.761 1.743 0.375) 3.287 10.707 ( 5.295 0.538 0.973) 5.411 11.272 ( -11.404 -12.723 0.367) 17.090 12.190 ( -1.126 -3.841 -1.194) 4.177======================= Grid point 46 (35/670) =======================q-point: ( 0.42 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.671 ( 16.501 15.341 -2.219) 22.640 3.935 ( 0.840 17.983 0.031) 18.003 5.024 ( 9.661 1.133 -0.692) 9.752 9.668 ( 0.792 8.576 -0.392) 8.622 10.343 ( -3.478 2.090 0.250) 4.065 10.498 ( 2.172 0.398 2.422) 3.278 10.812 ( 6.029 0.440 0.920) 6.115 11.028 ( -4.915 -7.034 -0.516) 8.597 12.136 ( -0.302 -4.210 -1.120) 4.366======================= Grid point 47 (36/670) =======================q-point: ( 0.47 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.021 ( 10.883 9.923 -1.339) 14.788 4.076 ( -2.386 14.176 0.035) 14.376 5.153 ( 5.950 -0.687 -0.497) 6.010 9.746 ( -1.249 8.634 -0.380) 8.732 10.311 ( -3.028 2.610 0.250) 4.006 10.456 ( -3.572 -4.630 2.232) 6.259 10.912 ( 5.257 -0.261 0.759) 5.318 10.975 ( 2.042 -1.790 -0.805) 2.832 12.095 ( 0.762 -4.312 -0.880) 4.467======================= Grid point 48 (37/670) =======================q-point: ( 0.53 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.137 ( -4.837 11.381 0.116) 12.367 4.211 ( 3.560 4.516 -0.123) 5.752 5.212 ( 2.857 -1.772 -0.256) 3.371 9.789 ( -3.368 8.223 -0.336) 8.892 10.295 ( -2.288 3.019 0.229) 3.795 10.369 ( -1.520 -3.644 1.085) 4.094 10.974 ( 2.879 -1.908 0.128) 3.456 10.999 ( 2.214 -1.602 -0.176) 2.739 12.075 ( 1.916 -4.058 -0.498) 4.515======================= Grid point 49 (38/670) =======================q-point: (-0.42 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.137 ( -7.440 9.841 0.171) 12.338 4.222 ( -4.790 -0.345 1.187) 4.947 5.214 ( 0.332 -3.271 -0.031) 3.288 9.789 ( -5.340 7.133 -0.274) 8.914 10.295 ( -1.528 3.521 0.270) 3.847 10.358 ( 2.888 -1.185 -0.165) 3.126 10.966 ( -0.256 -3.695 -0.665) 3.763 11.006 ( 0.714 -2.488 0.519) 2.640 12.078 ( 2.940 -3.466 -0.083) 4.546======================= Grid point 50 (39/670) =======================q-point: (-0.37 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.046 ( -13.053 -2.993 1.565) 13.482 4.082 ( -11.354 7.841 0.822) 13.823 5.158 ( -2.154 -5.464 0.134) 5.875 9.747 ( -6.813 5.530 -0.256) 8.778 10.312 ( -0.843 3.924 0.321) 4.027 10.427 ( 5.073 0.265 -1.153) 5.209 10.898 ( -2.493 -4.774 -0.801) 5.445 10.987 ( 0.664 -2.537 0.671) 2.707 12.105 ( 3.645 -2.644 0.228) 4.509======================= Grid point 51 (40/670) =======================q-point: (-0.32 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.711 ( -21.023 -6.842 2.389) 22.237 3.939 ( -16.078 8.250 0.462) 18.077 5.031 ( -5.654 -7.800 0.199) 9.635 9.669 ( -7.811 3.755 -0.275) 8.671 10.343 ( -0.152 4.034 0.322) 4.049 10.466 ( -1.032 -1.646 -1.273) 2.323 10.796 ( -3.486 -5.007 -0.860) 6.162 11.037 ( 7.987 0.486 0.546) 8.020 12.149 ( 3.967 -1.733 0.369) 4.344======================= Grid point 52 (41/670) =======================q-point: (-0.26 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.240 ( -27.240 -7.686 2.285) 28.396 3.697 ( -21.600 6.389 0.454) 22.530 4.810 ( -11.329 -9.288 0.143) 14.651 9.559 ( -8.431 2.053 -0.289) 8.683 10.345 ( -8.924 -3.688 -0.548) 9.671 10.385 ( 0.385 3.576 0.261) 3.606 10.691 ( -3.135 -4.232 -0.849) 5.335 11.269 ( 16.309 3.280 0.077) 16.636 12.204 ( 3.958 -0.881 0.364) 4.071======================= Grid point 53 (42/670) =======================q-point: (-0.21 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.682 ( -31.346 -6.757 1.742) 32.113 3.342 ( -26.690 3.649 0.402) 26.942 4.465 ( -19.519 -9.000 0.016) 21.495 9.428 ( -8.643 0.688 -0.263) 8.674 10.118 ( -13.291 -3.674 -0.101) 13.789 10.428 ( 1.017 2.487 0.225) 2.696 10.614 ( -1.675 -2.574 -0.652) 3.140 11.611 ( 19.854 3.559 -0.085) 20.171 12.264 ( 3.732 -0.235 0.267) 3.749======================= Grid point 54 (43/670) =======================q-point: (-0.16 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( -32.986 -4.137 0.915) 33.257 2.883 ( -30.641 0.959 0.259) 30.657 3.983 ( -29.220 -6.156 -0.073) 29.861 9.287 ( -8.356 -0.065 -0.169) 8.358 9.844 ( -15.579 -2.315 0.077) 15.750 10.468 ( 1.713 0.997 0.103) 1.985 10.582 ( -0.216 -0.807 -0.313) 0.892 11.981 ( 20.421 2.294 -0.063) 20.549 12.324 ( 3.432 0.085 0.128) 3.435======================= Grid point 55 (44/670) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( -31.939 0.000 0.000) 31.939 2.350 ( -33.126 0.000 0.000) 33.126 3.381 ( -38.581 0.000 0.000) 38.581 9.152 ( -7.493 0.000 0.000) 7.493 9.565 ( -16.146 0.000 0.000) 16.146 10.506 ( 2.342 -0.000 -0.000) 2.342 10.582 ( 0.512 -0.000 -0.000) 0.512 12.319 ( 17.164 -0.000 -0.000) 17.164 12.384 ( 4.742 -0.000 -0.000) 4.742======================= Grid point 60 (45/670) =======================q-point: ( 0.16 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( 0.000 30.429 1.367) 30.459 2.009 ( 0.000 30.632 1.682) 30.678 3.046 ( -0.000 44.655 -0.418) 44.657 9.063 ( -0.000 6.075 -1.140) 6.181 9.436 ( 0.000 16.265 0.432) 16.270 10.531 ( 0.000 -2.655 0.511) 2.704 10.589 ( 0.000 -0.504 0.152) 0.526 12.388 ( -0.000 -3.598 -1.146) 3.776 12.504 ( 0.000 -16.349 1.010) 16.380======================= Grid point 61 (46/670) =======================q-point: ( 0.21 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( 6.365 31.845 0.375) 32.477 2.401 ( 11.199 28.333 1.351) 30.496 3.513 ( 6.794 38.036 -0.557) 38.642 9.145 ( 2.807 6.500 -1.098) 7.165 9.626 ( 3.271 16.398 0.549) 16.730 10.503 ( -0.355 -2.667 0.550) 2.746 10.586 ( -0.215 -0.016 0.269) 0.345 12.273 ( -4.264 -16.899 0.237) 17.430 12.371 ( -1.316 -4.509 -0.448) 4.718======================= Grid point 62 (47/670) =======================q-point: ( 0.26 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.092 ( 11.352 31.146 -0.782) 33.160 2.899 ( 15.367 26.244 0.881) 30.425 3.972 ( 9.520 28.113 -0.704) 29.690 9.272 ( 4.669 7.027 -0.934) 8.488 9.855 ( 5.550 14.971 0.719) 15.983 10.477 ( -0.234 -1.737 0.574) 1.845 10.584 ( -0.223 0.297 0.427) 0.565 11.990 ( -8.251 -18.678 0.792) 20.434 12.311 ( -1.665 -3.173 -1.087) 3.744======================= Grid point 63 (48/670) =======================q-point: ( 0.32 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.598 ( 14.633 28.502 -1.647) 32.081 3.396 ( 13.574 24.864 0.490) 28.332 4.357 ( 10.326 17.306 -0.828) 20.170 9.425 ( 5.166 7.818 -0.777) 9.403 10.094 ( 6.774 12.216 1.031) 14.006 10.465 ( -0.617 0.121 0.528) 0.821 10.592 ( 0.967 0.181 0.635) 1.171 11.657 ( -10.384 -17.707 0.866) 20.545 12.245 ( -1.977 -3.547 -1.278) 4.257======================= Grid point 64 (49/670) =======================q-point: ( 0.37 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.106 ( 15.797 24.341 -2.062) 29.091 3.814 ( 8.083 23.104 0.180) 24.478 4.649 ( 10.522 8.123 -0.826) 13.319 9.585 ( 4.352 8.818 -0.672) 9.857 10.312 ( 6.607 8.303 1.540) 10.723 10.453 ( -2.256 1.930 0.440) 3.001 10.633 ( 3.725 -0.021 0.815) 3.813 11.322 ( -10.426 -15.199 0.666) 18.443 12.172 ( -1.821 -4.163 -1.352) 4.741======================= Grid point 65 (50/670) =======================q-point: ( 0.42 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.569 ( 14.653 19.176 -1.989) 24.215 4.102 ( 1.837 19.220 -0.075) 19.308 4.872 ( 9.984 3.216 -0.639) 10.509 9.732 ( 2.536 9.797 -0.609) 10.138 10.426 ( -3.139 2.696 0.412) 4.158 10.468 ( 3.454 2.719 2.368) 4.993 10.716 ( 5.675 -0.048 0.841) 5.737 11.044 ( -7.004 -10.375 -0.100) 12.518 12.099 ( -1.134 -4.754 -1.302) 5.057======================= Grid point 66 (51/670) =======================q-point: ( 0.47 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.942 ( 11.262 13.531 -1.444) 17.663 4.254 ( -2.063 13.651 -0.204) 13.807 5.044 ( 7.429 2.444 -0.370) 7.829 9.851 ( 0.138 10.437 -0.549) 10.453 10.396 ( -3.546 2.829 0.310) 4.547 10.474 ( -2.690 -4.024 2.871) 5.628 10.815 ( 5.887 -0.541 0.738) 5.958 10.922 ( 0.547 -3.630 -0.863) 3.771 12.038 ( 0.019 -5.078 -1.103) 5.197======================= Grid point 67 (52/670) =======================q-point: ( 0.53 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.188 ( 5.876 7.935 -0.541) 9.888 4.315 ( -3.425 9.335 -0.136) 9.945 5.159 ( 3.373 2.478 -0.153) 4.188 9.931 ( -2.501 10.452 -0.439) 10.756 10.355 ( -2.902 -2.038 0.571) 3.592 10.388 ( -3.430 0.453 1.553) 3.793 10.893 ( 4.388 -1.984 0.243) 4.822 10.935 ( 3.060 -2.205 -0.331) 3.786 11.999 ( 1.462 -4.970 -0.764) 5.236======================= Grid point 68 (53/670) =======================q-point: (-0.42 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.282 ( -1.127 3.058 0.394) 3.283 4.332 ( -4.087 7.469 0.129) 8.515 5.200 ( -0.588 1.176 -0.013) 1.315 9.963 ( -5.327 9.551 -0.253) 10.939 10.303 ( 0.640 -2.599 0.141) 2.680 10.370 ( -2.397 3.694 0.690) 4.457 10.916 ( 1.655 -3.747 -0.589) 4.139 10.957 ( 2.208 -3.034 0.463) 3.780 11.989 ( 2.917 -4.398 -0.361) 5.290======================= Grid point 69 (54/670) =======================q-point: (-0.37 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.212 ( -8.733 -0.849 1.218) 8.858 4.320 ( -6.279 7.797 0.295) 10.015 5.162 ( -3.576 -1.776 0.064) 3.993 9.935 ( -7.724 7.657 -0.156) 10.877 10.335 ( 4.662 -0.432 -0.779) 4.746 10.377 ( -1.544 4.188 0.611) 4.505 10.877 ( -0.884 -4.921 -0.807) 5.064 10.950 ( 0.826 -3.575 0.628) 3.722 12.009 ( 4.074 -3.469 -0.022) 5.350======================= Grid point 70 (55/670) =======================q-point: (-0.32 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.983 ( -16.494 -3.311 1.609) 16.900 4.262 ( -10.923 8.809 0.357) 14.037 5.050 ( -5.478 -5.386 0.084) 7.683 9.856 ( -9.106 5.370 -0.185) 10.573 10.398 ( -0.905 4.540 0.285) 4.638 10.421 ( 4.420 -0.221 -0.883) 4.513 10.794 ( -2.564 -5.332 -0.790) 5.969 10.942 ( 2.793 -2.362 0.620) 3.710 12.055 ( 4.731 -2.356 0.164) 5.288======================= Grid point 71 (56/670) =======================q-point: (-0.26 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.616 ( -23.418 -3.961 1.449) 23.795 4.108 ( -17.809 7.976 0.345) 19.516 4.881 ( -7.472 -7.104 0.052) 10.310 9.737 ( -9.747 3.038 -0.193) 10.211 10.423 ( -3.063 -0.821 -0.310) 3.186 10.429 ( -1.013 3.244 0.046) 3.399 10.695 ( -2.870 -4.736 -0.705) 5.583 11.049 ( 11.527 0.433 0.282) 11.539 12.119 ( 4.863 -1.266 0.197) 5.029======================= Grid point 72 (57/670) =======================q-point: (-0.21 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.146 ( -28.788 -2.801 0.857) 28.937 3.815 ( -24.259 4.145 0.220) 24.611 4.661 ( -12.200 -4.907 0.007) 13.150 9.592 ( -9.790 1.090 -0.131) 9.852 10.289 ( -9.925 -1.613 -0.160) 10.056 10.451 ( -0.621 2.513 0.258) 2.602 10.615 ( -1.831 -2.703 -0.463) 3.298 11.313 ( 17.979 1.176 0.017) 18.017 12.191 ( 4.567 -0.420 0.124) 4.588======================= Grid point 73 (58/670) =======================q-point: (-0.16 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.620 ( -32.096 0.000 0.000) 32.096 3.389 ( -28.500 0.000 0.000) 28.500 4.368 ( -20.227 0.000 0.000) 20.227 9.436 ( -9.309 0.000 0.000) 9.309 10.080 ( -13.646 0.000 0.000) 13.646 10.458 ( 0.199 -0.000 -0.000) 0.199 10.583 ( -0.635 0.000 0.000) 0.635 11.646 ( 20.472 -0.000 -0.000) 20.472 12.262 ( 4.021 -0.000 -0.000) 4.021======================= Grid point 80 (59/670) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 0.000 33.706 0.232) 33.707 2.572 ( 0.000 26.640 1.478) 26.681 3.825 ( -0.000 36.007 -0.757) 36.015 9.180 ( -0.000 6.567 -1.235) 6.682 9.764 ( 0.000 16.944 0.750) 16.960 10.477 ( 0.000 -3.199 0.616) 3.258 10.593 ( 0.000 0.940 0.298) 0.986 12.132 ( 0.000 -19.536 0.735) 19.550 12.343 ( -0.000 -3.160 -0.995) 3.313======================= Grid point 81 (60/670) =======================q-point: ( 0.26 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( 4.711 33.476 -0.428) 33.809 2.915 ( 10.568 24.027 1.218) 26.276 4.164 ( 2.160 29.613 -0.903) 29.705 9.267 ( 3.117 6.637 -1.166) 7.425 9.946 ( 2.130 15.974 0.935) 16.142 10.451 ( 0.475 -2.932 0.662) 3.044 10.603 ( -0.553 1.813 0.380) 1.933 11.908 ( -4.032 -19.970 0.936) 20.394 12.302 ( -1.078 -2.951 -1.265) 3.387======================= Grid point 82 (61/670) =======================q-point: ( 0.32 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.694 ( 8.229 31.228 -1.138) 32.314 3.366 ( 15.730 21.348 0.816) 26.530 4.446 ( 2.155 21.294 -0.997) 21.426 9.403 ( 5.458 6.971 -1.017) 8.911 10.140 ( 3.359 13.614 1.205) 14.074 10.446 ( 1.549 -1.861 0.713) 2.524 10.611 ( -1.146 2.375 0.455) 2.676 11.628 ( -6.972 -18.898 0.985) 20.167 12.243 ( -2.024 -3.217 -1.416) 4.056======================= Grid point 83 (62/670) =======================q-point: ( 0.37 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.132 ( 10.439 27.265 -1.611) 29.239 3.826 ( 14.899 18.934 0.384) 24.096 4.642 ( 2.177 13.051 -0.939) 13.265 9.572 ( 6.393 7.746 -0.873) 10.081 10.319 ( 3.695 9.866 1.646) 10.663 10.470 ( 1.995 -0.285 0.714) 2.138 10.616 ( -0.800 2.352 0.524) 2.539 11.329 ( -8.327 -16.322 0.817) 18.342 12.166 ( -2.542 -3.777 -1.475) 4.786======================= Grid point 84 (63/670) =======================q-point: ( 0.42 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.548 ( 11.014 22.104 -1.713) 24.756 4.196 ( 8.310 15.302 -0.153) 17.413 4.789 ( 4.663 7.750 -0.566) 9.063 9.753 ( 5.699 8.904 -0.770) 10.600 10.449 ( 2.452 4.159 2.326) 5.359 10.495 ( -0.350 1.606 0.663) 1.773 10.646 ( 2.349 1.394 0.612) 2.799 11.058 ( -7.276 -11.701 0.185) 13.781 12.080 ( -2.385 -4.412 -1.423) 5.213======================= Grid point 85 (64/670) =======================q-point: ( 0.47 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.905 ( 9.722 16.364 -1.413) 19.087 4.379 ( 0.564 8.387 -0.629) 8.429 4.967 ( 7.218 8.018 -0.039) 10.788 9.922 ( 3.500 10.032 -0.677) 10.646 10.464 ( -2.272 -1.629 1.847) 3.350 10.497 ( -1.932 0.895 1.740) 2.750 10.720 ( 4.850 0.266 0.608) 4.895 10.892 ( -2.287 -4.849 -0.759) 5.414 11.998 ( -1.484 -4.844 -1.239) 5.215======================= Grid point 86 (65/670) =======================q-point: ( 0.53 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.171 ( 6.536 10.665 -0.780) 12.533 4.414 ( -1.504 3.087 -0.618) 3.489 5.152 ( 4.269 8.755 0.157) 9.742 10.052 ( 0.370 10.131 -0.462) 10.148 10.379 ( -3.739 -4.489 1.719) 6.090 10.469 ( -3.209 2.547 0.997) 4.217 10.800 ( 4.647 -1.228 0.258) 4.814 10.863 ( 2.051 -2.622 -0.474) 3.363 11.935 ( 0.021 -4.840 -0.927) 4.928======================= Grid point 87 (66/670) =======================q-point: ( 0.58 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.318 ( 1.622 5.583 -0.008) 5.814 4.411 ( -0.778 1.265 -0.368) 1.530 5.261 ( -0.948 7.410 0.180) 7.472 10.122 ( -2.385 7.867 0.127) 8.221 10.298 ( -2.711 -0.845 0.262) 2.851 10.450 ( -2.695 3.244 0.752) 4.284 10.843 ( 2.754 -2.950 -0.472) 4.063 10.878 ( 3.111 -3.813 0.375) 4.935 11.903 ( 1.818 -4.315 -0.547) 4.714======================= Grid point 88 (67/670) =======================q-point: (-0.37 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.330 ( -4.543 1.700 0.594) 4.887 4.417 ( -0.204 1.682 -0.072) 1.696 5.260 ( -5.963 4.372 0.152) 7.396 10.127 ( -5.199 6.068 0.500) 8.006 10.278 ( 0.328 1.198 -0.876) 1.520 10.447 ( -1.826 3.704 0.635) 4.178 10.833 ( 0.479 -4.138 -0.706) 4.225 10.887 ( 2.399 -4.287 0.581) 4.947 11.910 ( 3.507 -3.356 -0.205) 4.858======================= Grid point 89 (68/670) =======================q-point: (-0.32 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.202 ( -11.448 -0.666 0.843) 11.498 4.429 ( -1.722 3.270 0.107) 3.697 5.151 ( -9.548 0.335 0.094) 9.554 10.063 ( -8.918 4.987 0.113) 10.218 10.329 ( 4.804 0.335 -0.845) 4.889 10.462 ( -1.133 3.917 0.545) 4.114 10.779 ( -1.638 -4.434 -0.673) 4.775 10.884 ( 1.709 -3.181 0.495) 3.645 11.953 ( 4.727 -2.149 0.005) 5.193======================= Grid point 90 (69/670) =======================q-point: (-0.26 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.945 ( -18.283 -1.238 0.622) 18.336 4.394 ( -7.923 3.927 0.144) 8.844 4.969 ( -9.984 -2.561 0.022) 10.307 9.934 ( -10.405 2.341 -0.052) 10.665 10.409 ( 3.527 -0.278 -0.484) 3.571 10.482 ( -0.933 3.124 0.382) 3.283 10.699 ( -2.777 -3.434 -0.471) 4.441 10.910 ( 4.854 -1.001 0.265) 4.963 12.023 ( 5.284 -0.937 0.060) 5.367======================= Grid point 91 (70/670) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.581 ( -24.273 0.000 0.000) 24.273 4.199 ( -18.069 0.000 0.000) 18.069 4.801 ( -8.406 0.000 0.000) 8.406 9.769 ( -10.479 0.000 0.000) 10.479 10.403 ( -4.095 0.000 0.000) 4.095 10.483 ( -1.109 0.000 0.000) 1.109 10.634 ( -2.477 0.000 0.000) 2.477 11.055 ( 12.799 -0.000 -0.000) 12.799 12.107 ( 5.176 -0.000 -0.000) 5.176======================= Grid point 100 (71/670) =======================q-point: ( 0.26 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.560 ( -0.000 33.665 -0.615) 33.671 3.049 ( 0.000 21.749 1.249) 21.785 4.422 ( -0.000 26.267 -1.034) 26.288 9.298 ( -0.000 6.238 -1.187) 6.350 10.085 ( 0.000 15.416 1.126) 15.457 10.417 ( 0.000 -3.310 0.671) 3.377 10.634 ( 0.000 3.133 0.439) 3.163 11.749 ( 0.000 -20.083 1.026) 20.109 12.281 ( -0.000 -2.716 -1.424) 3.066======================= Grid point 101 (72/670) =======================q-point: ( 0.32 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.904 ( 3.218 31.845 -1.023) 32.023 3.336 ( 10.026 18.806 1.007) 21.336 4.643 ( -0.675 20.564 -1.105) 20.604 9.384 ( 3.558 6.028 -1.084) 7.083 10.240 ( 1.113 13.431 1.384) 13.548 10.399 ( 1.299 -2.869 0.692) 3.225 10.663 ( -0.956 4.059 0.488) 4.198 11.534 ( -3.358 -18.811 1.011) 19.135 12.239 ( -1.374 -2.735 -1.528) 3.421======================= Grid point 102 (73/670) =======================q-point: ( 0.37 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.266 ( 5.465 28.260 -1.374) 28.817 3.725 ( 15.496 15.412 0.603) 21.864 4.785 ( -2.134 14.555 -1.043) 14.748 9.525 ( 6.493 6.208 -0.937) 9.032 10.380 ( 1.345 9.870 1.790) 10.121 10.412 ( 2.933 -1.948 0.718) 3.593 10.681 ( -1.988 4.514 0.490) 4.957 11.291 ( -5.569 -15.903 0.798) 16.869 12.173 ( -2.637 -3.059 -1.556) 4.328======================= Grid point 103 (74/670) =======================q-point: ( 0.42 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.616 ( 6.790 23.339 -1.502) 24.353 4.118 ( 14.708 11.124 0.058) 18.441 4.862 ( -1.791 10.443 -0.705) 10.619 9.710 ( 8.038 6.871 -0.805) 10.605 10.456 ( 3.542 -0.974 0.860) 3.773 10.476 ( 0.802 3.950 2.301) 4.641 10.688 ( -2.383 4.486 0.440) 5.099 11.061 ( -6.043 -10.717 0.215) 12.305 12.086 ( -3.328 -3.547 -1.482) 5.085======================= Grid point 104 (75/670) =======================q-point: ( 0.47 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.927 ( 6.967 17.682 -1.330) 19.052 4.380 ( 6.410 4.495 -0.649) 7.855 4.968 ( 3.511 10.553 -0.019) 11.122 9.913 ( 7.674 7.893 -0.712) 11.032 10.473 ( -1.527 -3.344 2.938) 4.706 10.511 ( 2.196 -0.505 0.690) 2.357 10.700 ( -0.703 3.559 0.437) 3.654 10.904 ( -4.155 -3.646 -0.555) 5.556 11.991 ( -3.118 -3.932 -1.287) 5.181======================= Grid point 105 (76/670) =======================q-point: ( 0.53 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.175 ( 5.743 11.967 -0.889) 13.303 4.435 ( -0.109 -0.483 -0.829) 0.965 5.166 ( 6.043 10.928 0.299) 12.491 10.099 ( 4.696 8.189 -0.516) 9.454 10.392 ( -2.406 -5.139 2.317) 6.130 10.527 ( -0.589 0.641 0.641) 1.081 10.737 ( 1.975 1.206 0.265) 2.329 10.836 ( -1.724 -1.311 -0.519) 2.227 11.905 ( -1.962 -3.943 -0.979) 4.512======================= Grid point 106 (77/670) =======================q-point: ( 0.58 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.339 ( 2.989 6.796 -0.308) 7.430 4.410 ( -0.415 -1.769 -0.592) 1.911 5.339 ( 2.212 9.025 0.265) 9.296 10.183 ( -0.711 1.399 0.638) 1.694 10.364 ( -0.507 4.629 0.132) 4.658 10.517 ( -1.781 1.637 0.633) 2.500 10.776 ( 2.148 -1.193 -0.200) 2.465 10.801 ( 0.729 -3.745 0.120) 3.817 11.849 ( -0.125 -3.442 -0.612) 3.498======================= Grid point 107 (78/670) =======================q-point: (-0.37 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.395 ( 0.416 0.110 0.010) 0.430 4.405 ( -0.343 1.480 -0.149) 1.527 5.401 ( -3.586 5.911 0.176) 6.916 10.167 ( 0.021 -1.209 0.760) 1.428 10.395 ( -5.075 8.516 -0.887) 9.954 10.508 ( -1.703 2.287 0.571) 2.908 10.775 ( 2.445 -4.543 -0.141) 5.162 10.801 ( 2.085 -3.299 0.198) 3.908 11.834 ( 1.940 -2.482 -0.278) 3.163======================= Grid point 108 (79/670) =======================q-point: (-0.32 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.354 ( -6.468 0.558 0.265) 6.498 4.424 ( 2.404 -0.162 -0.051) 2.410 5.334 ( -9.093 2.328 0.082) 9.386 10.174 ( 0.434 0.098 0.418) 0.610 10.346 ( -6.506 3.809 -0.721) 7.574 10.508 ( -0.852 1.891 0.357) 2.104 10.764 ( -0.466 -2.182 -0.337) 2.257 10.814 ( 3.354 -2.764 0.298) 4.356 11.864 ( 3.753 -1.248 -0.064) 3.956======================= Grid point 109 (80/670) =======================q-point: (-0.26 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.198 ( -12.422 0.000 0.000) 12.422 4.458 ( 0.706 -0.000 -0.000) 0.706 5.158 ( -12.401 0.000 0.000) 12.401 10.113 ( -8.638 0.000 0.000) 8.638 10.333 ( 3.684 -0.000 -0.000) 3.684 10.510 ( -0.499 0.000 0.000) 0.499 10.725 ( -2.333 0.000 0.000) 2.333 10.851 ( 2.486 -0.000 -0.000) 2.486 11.931 ( 4.933 -0.000 -0.000) 4.933======================= Grid point 120 (81/670) =======================q-point: ( 0.32 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.178 ( -0.000 30.401 -1.175) 30.424 3.423 ( 0.000 16.339 1.003) 16.369 4.831 ( -0.000 16.962 -1.156) 17.001 9.404 ( -0.000 5.282 -1.026) 5.380 10.358 ( 0.000 11.623 1.643) 11.739 10.360 ( 0.000 -2.921 0.661) 2.995 10.717 ( 0.000 5.081 0.518) 5.108 11.389 ( 0.000 -17.204 0.902) 17.228 12.223 ( -0.000 -2.417 -1.590) 2.893======================= Grid point 121 (82/670) =======================q-point: ( 0.37 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.472 ( 1.951 27.158 -1.336) 27.261 3.651 ( 9.320 13.290 0.752) 16.250 4.954 ( -2.072 12.583 -1.101) 12.800 9.485 ( 4.098 4.883 -0.896) 6.437 10.351 ( 1.844 -2.396 0.636) 3.090 10.463 ( 0.178 8.030 2.057) 8.291 10.760 ( -1.288 5.448 0.487) 5.620 11.217 ( -2.615 -13.663 0.592) 13.923 12.181 ( -1.749 -2.393 -1.576) 3.357======================= Grid point 122 (83/670) =======================q-point: ( 0.42 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.753 ( 3.224 22.523 -1.368) 22.794 3.968 ( 14.140 9.589 0.333) 17.088 5.005 ( -3.447 9.057 -0.862) 9.729 9.629 ( 7.648 4.915 -0.748) 9.122 10.379 ( 3.576 -1.763 0.601) 4.032 10.517 ( -0.729 2.050 2.600) 3.390 10.781 ( -2.523 5.239 0.391) 5.828 11.056 ( -3.932 -7.585 0.045) 8.543 12.109 ( -3.306 -2.594 -1.463) 4.450======================= Grid point 123 (84/670) =======================q-point: ( 0.47 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.001 ( 3.980 17.051 -1.213) 17.551 4.266 ( 11.593 4.732 -0.214) 12.523 5.039 ( -0.865 7.951 -0.357) 8.006 9.825 ( 9.794 5.334 -0.629) 11.170 10.433 ( 4.096 -1.507 0.731) 4.425 10.485 ( -2.253 -4.291 2.556) 5.480 10.781 ( -3.119 4.582 0.339) 5.553 10.949 ( -3.906 -1.039 -0.381) 4.060 12.016 ( -4.094 -2.796 -1.239) 5.110======================= Grid point 124 (85/670) =======================q-point: ( 0.53 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.204 ( 4.065 11.396 -0.861) 12.130 4.408 ( 2.970 -0.059 -0.618) 3.034 5.159 ( 5.619 8.342 0.138) 10.059 10.045 ( 9.687 5.954 -0.563) 11.384 10.383 ( -2.879 -6.240 2.362) 7.267 10.494 ( 3.496 -1.085 0.275) 3.671 10.771 ( -2.560 3.190 0.284) 4.100 10.886 ( -4.026 0.896 -0.337) 4.139 11.919 ( -3.755 -2.726 -0.914) 4.729======================= Grid point 125 (86/670) =======================q-point: ( 0.58 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.348 ( 3.107 6.025 -0.407) 6.791 4.404 ( -0.900 -1.335 -0.518) 1.691 5.344 ( 6.310 6.667 0.202) 9.182 10.203 ( 0.567 1.845 0.209) 1.941 10.343 ( 5.522 0.053 0.788) 5.578 10.528 ( 1.269 -0.423 0.216) 1.355 10.764 ( -0.825 1.173 0.124) 1.440 10.815 ( -4.696 -0.774 -0.118) 4.760 11.840 ( -2.334 -2.203 -0.543) 3.255======================= Grid point 126 (87/670) =======================q-point: ( 0.63 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.372 ( -0.095 -1.086 -0.190) 1.106 4.429 ( 1.024 2.340 -0.107) 2.557 5.466 ( 1.752 3.529 0.107) 3.942 10.169 ( -1.731 -1.104 0.444) 2.101 10.495 ( 3.991 6.016 -0.163) 7.222 10.539 ( 1.219 0.783 -0.028) 1.449 10.709 ( -4.109 -4.520 0.320) 6.117 10.768 ( 0.316 -0.280 -0.115) 0.438 11.800 ( -0.243 -1.239 -0.213) 1.280======================= Grid point 127 (88/670) =======================q-point: (-0.32 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.381 ( 1.813 -0.000 -0.000) 1.813 4.431 ( -2.170 0.000 0.000) 2.170 5.462 ( -4.261 0.000 0.000) 4.261 10.154 ( 0.520 -0.000 -0.000) 0.520 10.498 ( -5.606 0.000 0.000) 5.606 10.542 ( -3.819 0.000 0.000) 3.819 10.699 ( 6.331 -0.000 -0.000) 6.331 10.771 ( 0.250 -0.000 -0.000) 0.250 11.809 ( 1.960 -0.000 -0.000) 1.960======================= Grid point 140 (89/670) =======================q-point: ( 0.37 0.37 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.691 ( 0.000 10.958 0.741) 10.983 3.703 ( -0.000 24.224 -1.372) 24.262 5.077 ( -0.000 9.517 -1.058) 9.576 9.489 ( -0.000 3.935 -0.784) 4.012 10.314 ( 0.000 -2.154 0.567) 2.227 10.529 ( 0.000 4.020 2.410) 4.687 10.826 ( 0.000 5.605 0.413) 5.620 11.126 ( 0.000 -9.238 0.223) 9.241 12.171 ( -0.000 -1.986 -1.512) 2.496======================= Grid point 141 (90/670) =======================q-point: ( 0.42 0.37 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.860 ( 8.410 8.162 0.542) 11.732 3.922 ( 1.048 19.799 -1.326) 19.871 5.130 ( -2.416 6.670 -0.878) 7.148 9.561 ( 4.662 3.412 -0.636) 5.812 10.315 ( 2.105 -1.638 0.493) 2.712 10.543 ( -0.885 -1.434 2.616) 3.112 10.867 ( -1.508 5.128 0.287) 5.353 11.050 ( -1.717 -3.240 -0.125) 3.669 12.131 ( -2.101 -1.837 -1.347) 3.099======================= Grid point 142 (91/670) =======================q-point: ( 0.47 0.37 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.099 ( 7.044 9.236 -0.196) 11.617 4.115 ( 6.816 10.157 -0.715) 12.253 5.134 ( -2.883 4.882 -0.545) 5.696 9.705 ( 8.738 3.224 -0.490) 9.326 10.353 ( 3.763 -1.161 0.424) 3.961 10.488 ( -2.458 -4.957 2.268) 5.979 10.876 ( -2.817 4.209 0.234) 5.071 11.004 ( -2.656 0.873 -0.222) 2.805 12.059 ( -3.857 -1.778 -1.077) 4.382======================= Grid point 143 (92/670) =======================q-point: ( 0.53 0.37 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.249 ( 2.351 8.743 -0.662) 9.078 4.321 ( 8.190 1.679 -0.235) 8.363 5.157 ( 1.467 4.299 -0.129) 4.544 9.905 ( 11.368 3.134 -0.376) 11.798 10.389 ( -3.135 -4.616 1.867) 5.884 10.417 ( 3.950 -1.120 0.017) 4.106 10.856 ( -3.619 2.812 0.208) 4.587 10.965 ( -3.652 1.562 -0.167) 3.976 11.968 ( -4.630 -1.558 -0.720) 4.938======================= Grid point 144 (93/670) =======================q-point: ( 0.58 0.37 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.348 ( 2.484 3.588 -0.285) 4.373 4.400 ( 1.125 -0.037 -0.252) 1.153 5.272 ( 7.120 3.003 0.062) 7.727 10.131 ( 11.756 2.958 -0.342) 12.128 10.293 ( -3.222 -3.360 0.975) 4.757 10.479 ( 3.674 -0.469 0.076) 3.705 10.816 ( -3.392 1.222 0.096) 3.606 10.903 ( -5.088 0.610 -0.063) 5.125 11.879 ( -4.107 -0.977 -0.334) 4.235======================= Grid point 145 (94/670) =======================q-point: (-0.37 -0.63 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.379 ( -0.800 0.000 0.000) 0.800 4.415 ( 1.753 -0.000 -0.000) 1.753 5.411 ( 6.581 -0.000 -0.000) 6.581 10.208 ( -3.181 0.000 0.000) 3.181 10.362 ( 11.751 -0.000 -0.000) 11.751 10.523 ( 1.646 -0.000 -0.000) 1.646 10.775 ( -2.078 0.000 0.000) 2.078 10.807 ( -6.386 0.000 0.000) 6.386 11.817 ( -2.467 0.000 0.000) 2.467======================= Grid point 161 (95/670) =======================q-point: ( 0.42 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.858 ( 0.000 6.113 0.458) 6.130 4.084 ( -0.000 15.637 -1.114) 15.676 5.203 ( -0.000 4.460 -0.741) 4.521 9.546 ( -0.000 2.400 -0.490) 2.450 10.284 ( 0.000 -1.253 0.386) 1.311 10.530 ( 0.000 -3.996 2.285) 4.604 10.927 ( 0.000 4.379 0.161) 4.381 11.050 ( -0.000 0.246 -0.127) 0.277 12.131 ( -0.000 -1.348 -1.122) 1.754======================= Grid point 162 (96/670) =======================q-point: ( 0.47 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.975 ( 7.745 3.745 0.259) 8.607 4.211 ( 0.383 10.483 -0.808) 10.521 5.215 ( -2.263 2.757 -0.484) 3.599 9.608 ( 5.124 1.758 -0.332) 5.427 10.293 ( 2.185 -0.802 0.273) 2.344 10.482 ( -1.501 -4.213 1.629) 4.760 10.951 ( -1.585 3.165 0.113) 3.542 11.049 ( -1.303 1.471 -0.073) 1.967 12.097 ( -2.348 -1.021 -0.796) 2.681======================= Grid point 163 (97/670) =======================q-point: ( 0.53 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.165 ( 10.776 1.433 0.044) 10.871 4.295 ( 0.910 5.025 -0.409) 5.123 5.193 ( -2.063 1.536 -0.184) 2.578 9.746 ( 9.474 1.150 -0.175) 9.545 10.339 ( 3.784 -0.394 0.169) 3.808 10.414 ( -2.943 -2.570 0.804) 3.989 10.935 ( -2.989 1.606 0.091) 3.395 11.030 ( -2.512 1.031 -0.050) 2.716 12.031 ( -4.164 -0.640 -0.402) 4.232======================= Grid point 164 (98/670) =======================q-point: (-0.42 -0.58 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.319 ( 4.855 -0.000 -0.000) 4.855 4.348 ( 3.838 -0.000 -0.000) 3.838 5.199 ( 2.472 -0.000 -0.000) 2.472 9.935 ( 12.150 -0.000 -0.000) 12.150 10.344 ( -3.889 0.000 0.000) 3.889 10.408 ( 4.367 -0.000 -0.000) 4.367 10.885 ( -3.818 0.000 0.000) 3.818 10.982 ( -3.823 0.000 0.000) 3.823 11.950 ( -4.819 0.000 0.000) 4.819======================= Grid point 182 (99/670) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.937 ( 0.000 1.937 0.156) 1.943 4.285 ( -0.000 5.409 -0.431) 5.426 5.253 ( -0.000 1.259 -0.266) 1.287 9.575 ( -0.000 0.804 -0.167) 0.821 10.269 ( 0.000 -0.402 0.137) 0.424 10.466 ( 0.000 -2.407 0.843) 2.550 10.988 ( 0.000 1.679 0.040) 1.680 11.072 ( -0.000 1.012 -0.005) 1.012 12.108 ( -0.000 -0.485 -0.421) 0.642======================= Grid point 183 (100/670) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.012 ( 7.464 -0.000 -0.000) 7.464 4.311 ( 0.170 -0.000 -0.000) 0.170 5.239 ( -2.139 0.000 0.000) 2.139 9.624 ( 5.311 -0.000 -0.000) 5.311 10.286 ( 2.199 -0.000 -0.000) 2.199 10.442 ( -1.614 0.000 0.000) 1.614 10.983 ( -1.609 0.000 0.000) 1.609 11.067 ( -1.280 0.000 0.000) 1.280 12.085 ( -2.437 0.000 0.000) 2.437======================= Grid point 387 (101/670) =======================q-point: ( 0.05 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.098 ( 0.000 -0.000 11.598) 11.598 0.098 ( 0.000 -0.000 11.598) 11.598 0.139 ( 0.000 -0.000 16.533) 16.533 8.871 ( -0.000 0.000 -0.365) 0.365 8.871 ( -0.000 0.000 -0.365) 0.365 10.607 ( 0.000 -0.000 0.191) 0.191 10.607 ( 0.000 -0.000 0.191) 0.191 12.492 ( -0.000 0.000 -0.390) 0.390 13.063 ( 0.000 -0.000 0.342) 0.342======================= Grid point 388 (102/670) =======================q-point: ( 0.11 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.339 ( 12.707 7.336 6.872) 16.202 0.694 ( 30.147 17.405 1.283) 34.834 1.101 ( 47.503 27.426 1.861) 54.883 8.898 ( 2.399 1.385 -0.252) 2.782 8.940 ( 6.255 3.612 -0.590) 7.247 10.598 ( -0.860 -0.497 0.189) 1.011 10.620 ( -0.295 -0.170 -0.109) 0.357 12.478 ( -1.063 -0.614 -0.584) 1.360 12.979 ( -6.052 -3.494 0.945) 7.052======================= Grid point 389 (103/670) =======================q-point: ( 0.16 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( 19.928 11.505 1.660) 23.070 1.358 ( 28.949 16.714 0.468) 33.431 2.132 ( 44.212 25.526 0.927) 51.060 8.973 ( 4.282 2.472 -0.175) 4.947 9.137 ( 11.213 6.474 -0.587) 12.960 10.570 ( -1.679 -0.969 0.186) 1.947 10.609 ( -0.666 -0.384 0.325) 0.835 12.443 ( -1.876 -1.083 -0.792) 2.307 12.790 ( -11.049 -6.379 0.791) 12.783======================= Grid point 390 (104/670) =======================q-point: ( 0.21 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( 25.589 14.774 -1.038) 29.566 1.980 ( 26.506 15.303 0.207) 30.607 3.061 ( 38.559 22.262 0.310) 44.525 9.083 ( 5.456 3.150 -0.148) 6.302 9.421 ( 14.050 8.112 -0.337) 16.227 10.525 ( -2.410 -1.392 0.184) 2.789 10.598 ( -0.234 -0.135 0.595) 0.653 12.390 ( -3.042 -1.756 -1.109) 3.684 12.502 ( -14.259 -8.233 0.942) 16.492======================= Grid point 391 (105/670) =======================q-point: ( 0.26 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 28.560 16.489 -2.433) 33.068 2.535 ( 23.088 13.330 0.114) 26.659 3.841 ( 31.083 17.946 -0.206) 35.893 9.210 ( 5.828 3.365 -0.168) 6.732 9.746 ( 14.753 8.517 0.096) 17.035 10.465 ( -2.921 -1.687 0.190) 3.379 10.608 ( 1.091 0.630 0.827) 1.507 12.128 ( -17.127 -9.889 0.529) 19.784 12.347 ( -2.580 -1.489 -0.825) 3.091======================= Grid point 392 (106/670) =======================q-point: ( 0.32 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.467 ( 28.620 16.524 -3.041) 33.188 3.004 ( 18.881 10.901 0.110) 21.802 4.439 ( 22.674 13.091 -0.598) 26.189 9.337 ( 5.482 3.165 -0.220) 6.334 10.066 ( 13.569 7.834 0.649) 15.681 10.398 ( -3.061 -1.767 0.207) 3.541 10.656 ( 3.015 1.741 0.994) 3.620 11.737 ( -17.619 -10.172 0.642) 20.354 12.292 ( -2.225 -1.285 -1.092) 2.792======================= Grid point 393 (107/670) =======================q-point: ( 0.37 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.072 ( 25.929 14.970 -3.066) 30.097 3.374 ( 14.214 8.207 0.158) 16.414 4.852 ( 14.663 8.466 -0.808) 16.950 9.449 ( 4.608 2.661 -0.281) 5.329 10.333 ( -2.758 -1.593 0.234) 3.194 10.340 ( 10.390 5.999 1.334) 12.071 10.746 ( 4.637 2.677 1.044) 5.455 11.366 ( -15.213 -8.783 0.396) 17.570 12.242 ( -1.920 -1.109 -1.181) 2.512======================= Grid point 394 (108/670) =======================q-point: ( 0.42 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.589 ( 20.791 12.004 -2.553) 24.143 3.639 ( 9.553 5.516 0.224) 11.034 5.101 ( 8.278 4.779 -0.811) 9.593 9.538 ( 3.423 1.976 -0.331) 3.967 10.279 ( -2.096 -1.210 0.266) 2.435 10.510 ( 3.499 2.020 2.200) 4.600 10.859 ( 4.971 2.870 0.967) 5.821 11.094 ( -8.098 -4.676 -0.399) 9.360 12.200 ( -1.482 -0.856 -1.127) 2.049======================= Grid point 395 (109/670) =======================q-point: ( 0.47 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.805 ( 5.332 3.078 0.285) 6.163 3.970 ( 13.638 7.874 -1.520) 15.821 5.232 ( 3.958 2.285 -0.641) 4.615 9.599 ( 2.099 1.212 -0.363) 2.450 10.242 ( -1.269 -0.733 0.297) 1.495 10.496 ( -4.060 -2.344 2.155) 5.159 10.962 ( 3.838 2.216 0.763) 4.497 11.021 ( 0.502 0.290 -0.782) 0.974 12.171 ( -0.883 -0.510 -0.903) 1.362======================= Grid point 396 (110/670) =======================q-point: ( 0.53 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.883 ( 1.673 0.966 0.332) 1.961 4.178 ( 5.069 2.927 -0.102) 5.854 5.286 ( 1.222 0.706 -0.375) 1.460 9.630 ( 0.731 0.422 -0.378) 0.925 10.224 ( -0.440 -0.254 0.320) 0.600 10.414 ( -2.641 -1.525 1.027) 3.217 11.025 ( 1.404 0.810 0.296) 1.648 11.045 ( 0.985 0.568 -0.346) 1.189 12.157 ( -0.167 -0.096 -0.530) 0.564======================= Grid point 397 (111/670) =======================q-point: (-0.42 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.883 ( -1.725 -0.996 0.379) 2.027 4.191 ( -4.110 -2.373 1.368) 4.940 5.289 ( -0.953 -0.550 -0.098) 1.104 9.630 ( -0.646 -0.373 -0.390) 0.842 10.224 ( 0.366 0.211 0.331) 0.537 10.403 ( 1.627 0.939 -0.161) 1.885 11.019 ( -1.811 -1.045 -0.430) 2.134 11.050 ( -0.611 -0.353 0.280) 0.759 12.161 ( 0.557 0.321 -0.117) 0.653======================= Grid point 398 (112/670) =======================q-point: (-0.37 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.806 ( -5.373 -3.102 0.442) 6.219 4.005 ( -12.930 -7.465 2.499) 15.139 5.239 ( -3.742 -2.160 0.114) 4.322 9.599 ( -2.024 -1.168 -0.415) 2.373 10.242 ( 1.198 0.692 0.327) 1.421 10.468 ( 3.332 1.924 -1.104) 4.003 10.950 ( -4.054 -2.341 -0.691) 4.732 11.032 ( -0.275 -0.159 0.567) 0.649 12.180 ( 1.180 0.681 0.193) 1.376======================= Grid point 399 (113/670) =======================q-point: (-0.32 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.638 ( -20.438 -11.800 3.078) 23.800 3.642 ( -9.584 -5.534 0.528) 11.080 5.110 ( -8.165 -4.714 0.193) 9.430 9.537 ( -3.363 -1.941 -0.461) 3.910 10.279 ( 2.029 1.171 0.310) 2.363 10.480 ( -3.115 -1.798 -1.155) 3.777 10.843 ( -5.093 -2.941 -0.893) 5.948 11.102 ( 7.568 4.369 0.529) 8.755 12.213 ( 1.656 0.956 0.335) 1.941======================= Grid point 400 (114/670) =======================q-point: (-0.26 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.125 ( -25.910 -14.959 3.126) 30.081 3.378 ( -14.249 -8.227 0.628) 16.465 4.860 ( -14.677 -8.474 0.113) 16.948 9.447 ( -4.557 -2.631 -0.525) 5.288 10.325 ( -9.933 -5.735 -0.446) 11.479 10.333 ( 2.695 1.556 0.287) 3.125 10.729 ( -4.634 -2.675 -0.927) 5.430 11.364 ( 14.849 8.573 0.114) 17.146 12.255 ( 1.993 1.151 0.329) 2.325======================= Grid point 401 (115/670) =======================q-point: (-0.21 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( -28.896 -16.683 2.778) 33.481 3.010 ( -18.938 -10.934 0.726) 21.880 4.444 ( -22.802 -13.165 -0.088) 26.330 9.333 ( -5.427 -3.133 -0.590) 6.294 10.061 ( -13.259 -7.655 0.094) 15.311 10.399 ( 3.001 1.733 0.260) 3.475 10.641 ( -2.915 -1.683 -0.774) 3.454 11.731 ( 17.509 10.109 -0.026) 20.218 12.303 ( 2.224 1.284 0.231) 2.578======================= Grid point 402 (116/670) =======================q-point: (-0.16 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( -29.147 -16.828 2.188) 33.727 2.541 ( -23.181 -13.384 0.821) 26.780 3.839 ( -31.283 -18.062 -0.322) 36.124 9.206 ( -5.753 -3.322 -0.633) 6.673 9.748 ( -14.541 -8.395 0.404) 16.796 10.465 ( 2.863 1.653 0.235) 3.315 10.596 ( -0.948 -0.547 -0.528) 1.215 12.123 ( 17.227 9.946 -0.008) 19.892 12.355 ( 2.422 1.398 0.096) 2.799======================= Grid point 403 (117/670) =======================q-point: (-0.11 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( -26.589 -15.351 1.571) 30.742 1.986 ( -26.649 -15.386 0.943) 30.786 3.054 ( -38.793 -22.397 -0.485) 44.797 9.079 ( -5.348 -3.088 -0.634) 6.208 9.428 ( -13.940 -8.048 0.497) 16.105 10.525 ( 2.354 1.359 0.214) 2.727 10.591 ( 0.378 0.218 -0.288) 0.523 12.400 ( 2.847 1.643 -0.052) 3.287 12.494 ( 14.401 8.314 0.071) 16.629======================= Grid point 404 (118/670) =======================q-point: (-0.05 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( -21.495 -12.410 1.508) 24.866 1.365 ( -29.167 -16.840 1.185) 33.700 2.120 ( -44.468 -25.674 -0.454) 51.349 8.970 ( -4.136 -2.388 -0.583) 4.812 9.145 ( -11.227 -6.482 0.366) 12.969 10.570 ( 1.625 0.938 0.200) 1.887 10.605 ( 0.803 0.463 -0.123) 0.935 12.448 ( 1.854 1.070 -0.186) 2.148 12.784 ( 11.001 6.352 0.195) 12.705======================= Grid point 407 (119/670) =======================q-point: ( 0.11 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.369 ( 0.000 14.145 8.389) 16.446 0.722 ( 0.000 34.545 3.241) 34.697 1.091 ( 0.000 54.603 1.140) 54.614 8.891 ( -0.000 2.477 -0.793) 2.601 8.945 ( -0.000 7.517 -0.259) 7.522 10.600 ( 0.000 -0.909 0.362) 0.978 10.618 ( -0.000 -0.345 -0.209) 0.404 12.476 ( -0.000 -1.245 -0.707) 1.432 12.982 ( 0.000 -7.069 1.090) 7.152======================= Grid point 408 (120/670) =======================q-point: ( 0.16 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( 9.222 18.136 4.092) 20.753 1.213 ( 16.339 30.896 1.642) 34.989 1.852 ( 26.476 44.230 0.807) 51.555 8.943 ( 2.712 3.543 -0.700) 4.516 9.076 ( 5.380 10.382 -0.329) 11.698 10.582 ( -0.954 -1.318 0.334) 1.661 10.611 ( -0.229 -0.775 0.185) 0.829 12.451 ( -0.986 -1.727 -0.894) 2.180 12.855 ( -5.674 -9.796 0.962) 11.361======================= Grid point 409 (121/670) =======================q-point: ( 0.21 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( 16.969 21.062 0.503) 27.052 1.805 ( 19.477 27.302 0.808) 33.547 2.726 ( 31.535 33.522 0.347) 46.025 9.040 ( 4.230 4.547 -0.530) 6.233 9.313 ( 9.811 11.634 -0.247) 15.221 10.546 ( -1.739 -1.648 0.314) 2.416 10.600 ( -0.226 -0.677 0.479) 0.860 12.406 ( -1.794 -2.179 -1.134) 3.042 12.616 ( -10.306 -11.862 1.003) 15.745======================= Grid point 410 (122/670) =======================q-point: ( 0.26 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.583 ( 22.408 22.274 -1.560) 31.633 2.376 ( 18.234 24.492 0.466) 30.538 3.524 ( 29.694 24.514 -0.161) 38.506 9.163 ( 4.853 5.280 -0.454) 7.186 9.612 ( 12.290 11.452 0.088) 16.799 10.496 ( -2.417 -1.596 0.314) 2.913 10.598 ( 0.556 -0.241 0.715) 0.938 12.272 ( -12.477 -12.068 0.227) 17.360 12.370 ( -3.337 -3.479 -0.499) 4.847======================= Grid point 411 (123/670) =======================q-point: ( 0.32 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 24.983 21.701 -2.551) 33.190 2.881 ( 15.093 21.668 0.334) 26.409 4.177 ( 24.575 16.466 -0.592) 29.588 9.296 ( 4.648 5.678 -0.447) 7.351 9.931 ( 12.775 10.180 0.575) 16.345 10.437 ( -3.029 -1.135 0.321) 3.251 10.624 ( 2.303 0.487 0.904) 2.521 11.903 ( -15.497 -13.521 0.787) 20.582 12.304 ( -1.911 -2.389 -1.185) 3.281======================= Grid point 412 (124/670) =======================q-point: ( 0.37 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.803 ( 24.658 19.552 -2.822) 31.595 3.295 ( 10.996 18.546 0.306) 21.563 4.658 ( 18.134 9.577 -0.864) 20.526 9.421 ( 3.761 5.797 -0.476) 6.927 10.226 ( 11.345 7.997 1.164) 13.928 10.377 ( -3.351 -0.462 0.346) 3.400 10.692 ( 4.352 1.292 0.993) 4.647 11.520 ( -14.990 -12.424 0.711) 19.483 12.249 ( -1.509 -2.522 -1.326) 3.224======================= Grid point 413 (125/670) =======================q-point: ( 0.42 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.359 ( 21.635 16.089 -2.521) 27.079 3.606 ( 6.625 15.202 0.327) 16.585 4.972 ( 11.994 4.390 -0.930) 12.806 9.528 ( 2.415 5.713 -0.510) 6.224 10.321 ( -3.204 0.224 0.379) 3.234 10.453 ( 7.242 4.461 1.938) 8.723 10.794 ( 5.574 1.654 0.964) 5.893 11.190 ( -11.051 -9.280 0.150) 14.431 12.199 ( -0.931 -2.651 -1.325) 3.106======================= Grid point 414 (126/670) =======================q-point: ( 0.47 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.807 ( 16.108 11.615 -1.668) 19.929 3.814 ( 2.684 11.958 0.325) 12.260 5.152 ( 7.175 1.091 -0.808) 7.302 9.608 ( 0.831 5.473 -0.533) 5.562 10.278 ( -2.671 0.866 0.417) 2.839 10.528 ( -1.233 -1.680 2.585) 3.321 10.904 ( 5.271 1.279 0.849) 5.490 11.015 ( -1.884 -2.990 -0.773) 3.617 12.160 ( -0.167 -2.652 -1.168) 2.903======================= Grid point 415 (127/670) =======================q-point: ( 0.53 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.930 ( -0.961 9.222 0.405) 9.281 4.104 ( 8.922 6.467 -0.478) 11.029 5.241 ( 3.838 -0.792 -0.573) 3.960 9.657 ( -0.824 5.057 -0.538) 5.152 10.251 ( -1.935 1.411 0.446) 2.436 10.446 ( -3.770 -3.739 1.781) 5.600 10.990 ( 3.532 0.304 0.560) 3.589 11.017 ( 2.110 -0.405 -0.634) 2.240 12.137 ( 0.722 -2.459 -0.854) 2.701======================= Grid point 416 (128/670) =======================q-point: (-0.42 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.966 ( -4.144 7.113 0.448) 8.244 4.220 ( 0.300 1.117 0.909) 1.471 5.270 ( 1.464 -2.091 -0.310) 2.571 9.674 ( -2.429 4.369 -0.531) 5.027 10.243 ( -1.156 1.890 0.463) 2.263 10.387 ( -0.050 -1.679 0.610) 1.787 11.017 ( 0.327 -1.627 -0.386) 1.704 11.040 ( 1.096 -0.944 0.239) 1.466 12.133 ( 1.591 -2.073 -0.457) 2.653======================= Grid point 417 (129/670) =======================q-point: (-0.37 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.931 ( -7.564 5.409 0.502) 9.313 4.139 ( -8.774 -3.897 2.074) 9.822 5.248 ( -0.867 -3.544 -0.091) 3.649 9.657 ( -3.866 3.358 -0.534) 5.148 10.252 ( -0.363 2.334 0.469) 2.408 10.417 ( 3.745 0.564 -0.405) 3.809 10.974 ( -2.302 -3.185 -0.642) 3.982 11.031 ( -0.384 -1.724 0.456) 1.824 12.147 ( 2.282 -1.554 -0.112) 2.764======================= Grid point 418 (130/670) =======================q-point: (-0.32 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.816 ( -11.789 3.308 0.575) 12.258 3.869 ( -17.186 -7.629 2.731) 19.001 5.164 ( -4.267 -5.562 0.021) 7.010 9.607 ( -5.092 2.146 -0.563) 5.554 10.278 ( 0.479 2.698 0.456) 2.777 10.480 ( 1.803 -0.028 -0.936) 2.032 10.883 ( -3.958 -4.054 -0.769) 5.717 11.034 ( 3.308 0.065 0.621) 3.366 12.177 ( 2.721 -0.975 0.083) 2.892======================= Grid point 419 (131/670) =======================q-point: (-0.26 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.431 ( -24.258 -10.951 2.789) 26.761 3.612 ( -16.571 1.830 0.707) 16.687 4.984 ( -9.706 -8.166 -0.008) 12.684 9.526 ( -6.122 0.913 -0.611) 6.220 10.321 ( 1.308 2.841 0.429) 3.157 10.420 ( -6.647 -3.716 -0.513) 7.633 10.770 ( -4.315 -4.003 -0.848) 5.946 11.193 ( 12.737 4.484 0.364) 13.508 12.218 ( 2.931 -0.403 0.121) 2.961======================= Grid point 420 (132/670) =======================q-point: (-0.21 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( -29.189 -12.236 2.486) 31.747 3.302 ( -21.615 -0.368 0.767) 21.632 4.667 ( -17.461 -10.948 -0.149) 20.610 9.419 ( -6.888 -0.160 -0.659) 6.921 10.211 ( -12.009 -5.639 0.056) 13.267 10.377 ( 1.989 2.605 0.387) 3.300 10.668 ( -3.233 -3.014 -0.746) 4.483 11.512 ( 17.943 6.559 0.144) 19.105 12.267 ( 2.981 0.098 0.055) 2.983======================= Grid point 421 (133/670) =======================q-point: (-0.16 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( -31.573 -11.833 1.913) 33.772 2.888 ( -26.365 -2.511 0.822) 26.497 4.181 ( -26.807 -13.070 -0.318) 29.825 9.292 ( -7.239 -0.888 -0.682) 7.325 9.928 ( -14.766 -5.967 0.362) 15.930 10.438 ( 2.415 1.952 0.338) 3.124 10.605 ( -1.416 -1.547 -0.503) 2.157 11.894 ( 19.428 6.586 0.113) 20.515 12.319 ( 2.953 0.462 -0.052) 2.989======================= Grid point 422 (134/670) =======================q-point: (-0.11 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( -31.207 -9.741 1.289) 32.717 2.382 ( -30.384 -4.091 0.857) 30.670 3.521 ( -36.445 -13.340 -0.394) 38.811 9.160 ( -7.000 -1.102 -0.653) 7.116 9.617 ( -15.723 -5.139 0.425) 16.547 10.495 ( 2.539 1.133 0.278) 2.794 10.585 ( 0.086 -0.334 -0.227) 0.413 12.270 ( 17.872 5.103 0.058) 18.586 12.375 ( 3.430 0.774 -0.069) 3.517======================= Grid point 423 (135/670) =======================q-point: (-0.05 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( -28.015 -6.017 1.025) 28.672 1.807 ( -33.461 -4.281 0.876) 33.745 2.718 ( -45.233 -10.057 -0.231) 46.338 9.039 ( -6.055 -0.699 -0.553) 6.120 9.319 ( -14.748 -3.209 0.242) 15.095 10.545 ( 2.282 0.474 0.222) 2.341 10.593 ( 0.808 0.144 -0.007) 0.821 12.417 ( 2.660 0.470 -0.408) 2.732 12.607 ( 15.471 2.956 0.377) 15.755======================= Grid point 427 (136/670) =======================q-point: ( 0.16 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( 0.000 22.878 3.749) 23.183 1.395 ( 0.000 33.245 2.294) 33.324 2.119 ( 0.000 50.919 0.236) 50.920 8.955 ( -0.000 4.639 -1.087) 4.765 9.148 ( 0.000 13.243 -0.020) 13.243 10.576 ( 0.000 -1.825 0.493) 1.890 10.605 ( 0.000 -0.881 0.152) 0.894 12.437 ( -0.000 -2.229 -1.041) 2.460 12.795 ( 0.000 -12.746 1.040) 12.789======================= Grid point 428 (137/670) =======================q-point: ( 0.21 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( 7.517 26.264 1.535) 27.362 1.828 ( 12.262 31.049 1.625) 33.422 2.716 ( 14.130 43.730 -0.013) 45.957 9.026 ( 2.768 5.425 -1.033) 6.178 9.322 ( 4.387 14.727 0.093) 15.367 10.551 ( -0.848 -2.127 0.489) 2.342 10.596 ( -0.103 -0.802 0.349) 0.880 12.402 ( -0.966 -2.714 -1.236) 3.135 12.620 ( -5.169 -14.783 1.099) 15.699======================= Grid point 429 (138/670) =======================q-point: ( 0.26 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 13.998 27.655 -0.524) 31.000 2.364 ( 15.594 28.931 0.991) 32.881 3.377 ( 19.535 32.868 -0.317) 38.236 9.140 ( 4.359 6.177 -0.870) 7.610 9.569 ( 7.795 14.499 0.294) 16.464 10.513 ( -1.405 -1.865 0.487) 2.386 10.590 ( 0.108 -0.585 0.553) 0.812 12.314 ( -6.625 -11.476 -0.333) 13.255 12.385 ( -4.389 -7.542 0.071) 8.726======================= Grid point 430 (139/670) =======================q-point: ( 0.32 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 18.531 26.891 -1.806) 32.708 2.888 ( 13.869 27.185 0.623) 30.525 3.975 ( 19.993 21.856 -0.652) 29.629 9.279 ( 4.715 6.946 -0.754) 8.429 9.852 ( 9.770 12.834 0.650) 16.142 10.473 ( -1.991 -0.882 0.482) 2.230 10.597 ( 1.222 -0.319 0.744) 1.466 11.993 ( -12.204 -16.408 0.900) 20.468 12.306 ( -1.869 -3.098 -1.268) 3.834======================= Grid point 431 (140/670) =======================q-point: ( 0.37 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.626 ( 20.529 24.333 -2.358) 31.923 3.342 ( 9.846 24.971 0.433) 26.845 4.453 ( 17.540 12.258 -0.895) 21.417 9.422 ( 4.060 7.650 -0.703) 8.689 10.135 ( 10.072 10.171 1.128) 14.359 10.431 ( -2.848 0.369 0.476) 2.911 10.635 ( 3.346 0.110 0.875) 3.460 11.625 ( -13.236 -15.484 0.927) 20.391 12.241 ( -1.630 -3.387 -1.441) 4.025======================= Grid point 432 (141/670) =======================q-point: ( 0.42 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.177 ( 19.858 20.415 -2.314) 28.574 3.695 ( 5.124 21.798 0.334) 22.395 4.795 ( 13.739 5.247 -0.958) 14.738 9.554 ( 2.672 8.218 -0.687) 8.669 10.375 ( 6.016 5.425 1.459) 8.231 10.390 ( -1.188 2.515 0.791) 2.892 10.715 ( 5.316 0.511 0.889) 5.414 11.276 ( -11.649 -12.901 0.580) 17.391 12.179 ( -1.084 -3.818 -1.469) 4.232======================= Grid point 433 (142/670) =======================q-point: ( 0.47 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.655 ( 16.658 15.547 -1.766) 22.854 3.937 ( 0.863 17.857 0.288) 17.880 5.017 ( 9.700 1.256 -0.834) 9.816 9.663 ( 0.838 8.587 -0.677) 8.654 10.346 ( -3.500 2.065 0.515) 4.097 10.519 ( 2.362 0.642 2.625) 3.589 10.819 ( 6.015 0.403 0.812) 6.083 11.024 ( -5.280 -7.326 -0.406) 9.040 12.125 ( -0.213 -4.146 -1.357) 4.367======================= Grid point 434 (143/670) =======================q-point: ( 0.53 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.011 ( 11.188 10.146 -0.844) 15.127 4.077 ( -2.302 14.043 0.329) 14.234 5.148 ( 6.001 -0.535 -0.603) 6.055 9.742 ( -1.207 8.668 -0.651) 8.775 10.315 ( -3.047 2.556 0.527) 4.012 10.476 ( -3.982 -4.819 2.437) 6.710 10.918 ( 5.170 -0.362 0.570) 5.214 10.968 ( 2.154 -1.693 -0.709) 2.830 12.087 ( 0.902 -4.209 -1.096) 4.442======================= Grid point 435 (144/670) =======================q-point: ( 0.58 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.138 ( -4.716 11.218 0.244) 12.172 4.212 ( 3.943 4.755 0.465) 6.195 5.210 ( 2.912 -1.635 -0.363) 3.359 9.785 ( -3.332 8.291 -0.599) 8.956 10.298 ( -2.282 2.898 0.498) 3.722 10.379 ( -2.023 -3.851 1.344) 4.553 10.973 ( 2.559 -2.186 -0.371) 3.386 10.999 ( 2.516 -1.332 0.235) 2.857 12.070 ( 2.085 -3.933 -0.732) 4.511======================= Grid point 436 (145/670) =======================q-point: (-0.37 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.139 ( -7.358 9.688 0.329) 12.170 4.234 ( -4.390 -0.198 1.520) 4.650 5.213 ( 0.387 -3.172 -0.177) 3.200 9.786 ( -5.330 7.229 -0.545) 8.998 10.298 ( -1.458 3.409 0.484) 3.740 10.358 ( 2.377 -1.392 0.328) 2.774 10.961 ( -0.290 -3.770 -0.729) 3.851 11.010 ( 0.734 -2.415 0.521) 2.577 12.077 ( 3.095 -3.349 -0.377) 4.576======================= Grid point 437 (146/670) =======================q-point: (-0.32 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.059 ( -12.416 -0.740 1.317) 12.507 4.090 ( -11.630 5.438 1.251) 12.900 5.158 ( -2.111 -5.406 -0.080) 5.804 9.744 ( -6.829 5.627 -0.543) 8.866 10.316 ( -0.849 3.890 0.550) 4.020 10.420 ( 4.768 0.078 -0.420) 4.788 10.892 ( -2.491 -4.812 -0.742) 5.470 10.992 ( 0.697 -2.485 0.570) 2.643 12.105 ( 3.752 -2.557 -0.146) 4.543======================= Grid point 438 (147/670) =======================q-point: (-0.26 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.730 ( -20.825 -7.067 2.114) 22.093 3.944 ( -16.053 8.152 0.621) 18.015 5.032 ( -5.637 -7.773 -0.098) 9.603 9.665 ( -7.833 3.857 -0.576) 8.750 10.347 ( -0.184 4.013 0.557) 4.056 10.459 ( -0.949 -1.638 -0.459) 1.947 10.790 ( -3.518 -5.008 -0.733) 6.164 11.042 ( 7.866 0.407 0.515) 7.894 12.150 ( 4.024 -1.676 -0.072) 4.360======================= Grid point 439 (148/670) =======================q-point: (-0.21 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.257 ( -27.151 -8.078 1.778) 28.383 3.701 ( -21.568 6.276 0.634) 22.472 4.810 ( -11.342 -9.268 -0.208) 14.649 9.556 ( -8.453 2.178 -0.597) 8.750 10.343 ( -8.824 -3.685 0.051) 9.562 10.388 ( 0.392 3.575 0.509) 3.633 10.685 ( -3.132 -4.181 -0.662) 5.266 11.271 ( 16.208 3.191 0.283) 16.521 12.205 ( 3.981 -0.846 -0.115) 4.072======================= Grid point 440 (149/670) =======================q-point: (-0.16 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.694 ( -31.312 -7.271 1.128) 32.165 3.346 ( -26.657 3.467 0.614) 26.888 4.464 ( -19.545 -8.948 -0.322) 21.499 9.425 ( -8.662 0.858 -0.576) 8.723 10.119 ( -13.219 -3.721 0.327) 13.737 10.431 ( 0.968 2.417 0.437) 2.640 10.610 ( -1.628 -2.457 -0.413) 2.976 11.612 ( 19.824 3.506 0.224) 20.133 12.264 ( 3.740 -0.212 -0.213) 3.752======================= Grid point 441 (150/670) =======================q-point: (-0.11 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( -32.957 -4.748 0.372) 33.299 2.886 ( -30.605 0.678 0.526) 30.617 3.981 ( -29.232 -6.035 -0.324) 29.850 9.284 ( -8.369 0.161 -0.492) 8.385 9.846 ( -15.563 -2.446 0.340) 15.758 10.469 ( 1.683 0.873 0.296) 1.919 10.581 ( -0.182 -0.632 -0.059) 0.660 11.981 ( 20.406 2.261 0.238) 20.532 12.323 ( 3.444 0.100 -0.304) 3.459======================= Grid point 442 (151/670) =======================q-point: (-0.05 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( -31.823 -0.664 -0.208) 31.830 2.352 ( -33.093 -0.375 0.375) 33.097 3.380 ( -38.539 0.193 -0.110) 38.539 9.151 ( -7.497 0.269 -0.345) 7.510 9.565 ( -16.183 -0.197 0.117) 16.184 10.507 ( 2.340 -0.113 0.183) 2.349 10.583 ( 0.505 0.152 0.224) 0.573 12.318 ( 16.670 0.000 -0.117) 16.671 12.384 ( 5.245 -0.012 0.017) 5.245======================= Grid point 447 (152/670) =======================q-point: ( 0.21 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 0.000 29.788 1.061) 29.807 2.024 ( 0.000 30.465 1.789) 30.517 3.043 ( -0.000 44.446 -0.325) 44.448 9.054 ( -0.000 6.049 -1.213) 6.169 9.440 ( 0.000 16.440 0.327) 16.443 10.536 ( 0.000 -2.634 0.579) 2.697 10.592 ( 0.000 -0.490 0.362) 0.609 12.378 ( -0.000 -3.653 -1.347) 3.893 12.514 ( 0.000 -16.340 1.148) 16.381======================= Grid point 448 (153/670) =======================q-point: ( 0.26 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 6.030 31.510 -0.155) 32.082 2.412 ( 11.004 28.245 1.393) 30.345 3.508 ( 6.806 37.851 -0.565) 38.462 9.136 ( 2.894 6.476 -1.144) 7.185 9.630 ( 3.258 16.580 0.524) 16.905 10.507 ( -0.368 -2.633 0.603) 2.726 10.589 ( -0.178 -0.025 0.481) 0.514 12.275 ( -3.991 -15.727 0.303) 16.228 12.367 ( -1.600 -5.712 -0.587) 5.961======================= Grid point 449 (154/670) =======================q-point: ( 0.32 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 10.983 31.068 -1.272) 32.977 2.906 ( 15.167 26.204 0.939) 30.291 3.966 ( 9.524 27.973 -0.801) 29.561 9.264 ( 4.774 7.001 -1.005) 8.533 9.862 ( 5.571 15.157 0.798) 16.168 10.482 ( -0.265 -1.689 0.636) 1.824 10.588 ( -0.157 0.261 0.599) 0.672 11.998 ( -8.239 -18.605 1.014) 20.373 12.301 ( -1.694 -3.270 -1.382) 3.934======================= Grid point 450 (155/670) =======================q-point: ( 0.37 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.582 ( 14.375 28.571 -1.935) 32.042 3.400 ( 13.426 24.811 0.590) 28.217 4.349 ( 10.339 17.248 -0.965) 20.132 9.418 ( 5.251 7.800 -0.892) 9.445 10.104 ( 6.848 12.411 1.181) 14.224 10.470 ( -0.690 0.166 0.636) 0.953 10.597 ( 1.067 0.129 0.712) 1.289 11.665 ( -10.428 -17.730 1.063) 20.596 12.233 ( -1.974 -3.570 -1.538) 4.360======================= Grid point 451 (156/670) =======================q-point: ( 0.42 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.089 ( 15.698 24.484 -2.085) 29.159 3.816 ( 7.993 22.981 0.311) 24.334 4.642 ( 10.563 8.189 -0.948) 13.399 9.578 ( 4.412 8.814 -0.825) 9.891 10.326 ( 6.751 8.545 1.694) 11.021 10.458 ( -2.302 1.947 0.622) 3.079 10.639 ( 3.786 -0.068 0.765) 3.863 11.328 ( -10.585 -15.352 0.830) 18.666 12.159 ( -1.792 -4.145 -1.565) 4.779======================= Grid point 452 (157/670) =======================q-point: ( 0.47 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.553 ( 14.726 19.356 -1.763) 24.384 4.102 ( 1.834 18.997 0.053) 19.085 4.866 ( 10.020 3.425 -0.707) 10.613 9.726 ( 2.583 9.809 -0.777) 10.174 10.430 ( -3.291 2.686 0.645) 4.297 10.488 ( 3.835 3.069 2.460) 5.494 10.722 ( 5.691 -0.095 0.712) 5.736 11.044 ( -7.382 -10.746 0.023) 13.037 12.088 ( -1.070 -4.693 -1.468) 5.032======================= Grid point 453 (158/670) =======================q-point: ( 0.53 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.931 ( 11.494 13.719 -1.056) 17.929 4.253 ( -1.960 13.403 -0.100) 13.546 5.041 ( 7.421 2.703 -0.384) 7.907 9.846 ( 0.182 10.480 -0.710) 10.506 10.399 ( -3.595 2.764 0.597) 4.574 10.498 ( -2.910 -4.084 2.910) 5.797 10.820 ( 5.832 -0.643 0.495) 5.888 10.915 ( 0.567 -3.628 -0.735) 3.745 12.028 ( 0.124 -4.975 -1.239) 5.129======================= Grid point 454 (159/670) =======================q-point: ( 0.58 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.185 ( 6.201 8.090 -0.141) 10.194 4.314 ( -3.250 9.142 -0.060) 9.703 5.158 ( 3.342 2.684 -0.146) 4.289 9.927 ( -2.461 10.563 -0.582) 10.862 10.360 ( -3.090 -1.099 0.725) 3.358 10.402 ( -3.710 -0.865 1.689) 4.167 10.893 ( 4.134 -2.205 -0.259) 4.693 10.934 ( 3.348 -1.970 0.095) 3.885 11.992 ( 1.598 -4.839 -0.909) 5.176======================= Grid point 455 (160/670) =======================q-point: (-0.37 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.286 ( -0.904 3.239 0.612) 3.418 4.333 ( -3.789 7.206 0.201) 8.144 5.200 ( -0.618 1.310 -0.019) 1.449 9.960 ( -5.334 9.754 -0.404) 11.124 10.306 ( 0.291 -2.850 0.356) 2.887 10.377 ( -2.423 3.509 0.921) 4.362 10.910 ( 1.562 -3.799 -0.733) 4.173 10.961 ( 2.273 -2.979 0.561) 3.789 11.985 ( 3.053 -4.267 -0.564) 5.277======================= Grid point 456 (161/670) =======================q-point: (-0.32 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.223 ( -8.436 -0.881 1.228) 8.571 4.323 ( -6.153 7.619 0.270) 9.797 5.162 ( -3.602 -1.701 0.012) 3.984 9.933 ( -7.802 7.831 -0.352) 11.060 10.331 ( 4.367 -0.603 -0.300) 4.419 10.383 ( -1.477 4.045 0.886) 4.396 10.870 ( -0.893 -4.918 -0.754) 5.055 10.954 ( 0.833 -3.565 0.549) 3.702 12.008 ( 4.174 -3.364 -0.318) 5.370======================= Grid point 457 (162/670) =======================q-point: (-0.26 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.996 ( -16.305 -3.592 1.344) 16.750 4.265 ( -10.834 8.708 0.307) 13.903 5.051 ( -5.507 -5.351 -0.053) 7.679 9.853 ( -9.167 5.500 -0.423) 10.699 10.399 ( 0.214 3.692 0.110) 3.700 10.419 ( 3.207 0.516 0.356) 3.268 10.788 ( -2.555 -5.305 -0.661) 5.926 10.947 ( 2.781 -2.414 0.473) 3.712 12.055 ( 4.786 -2.284 -0.223) 5.307======================= Grid point 458 (163/670) =======================q-point: (-0.21 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.626 ( -23.332 -4.400 0.943) 23.762 4.111 ( -17.750 7.848 0.347) 19.410 4.880 ( -7.499 -7.071 -0.195) 10.309 9.734 ( -9.780 3.184 -0.455) 10.295 10.422 ( -3.078 -1.512 0.105) 3.431 10.432 ( -0.932 3.907 0.667) 4.071 10.690 ( -2.875 -4.649 -0.525) 5.491 11.052 ( 11.452 0.314 0.301) 11.460 12.119 ( 4.883 -1.219 -0.255) 5.040======================= Grid point 459 (164/670) =======================q-point: (-0.16 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.150 ( -28.762 -3.349 0.220) 28.957 3.817 ( -24.224 3.940 0.307) 24.544 4.660 ( -12.216 -4.831 -0.313) 13.141 9.590 ( -9.807 1.278 -0.411) 9.899 10.290 ( -9.902 -1.639 0.429) 10.046 10.454 ( -0.659 2.320 0.455) 2.454 10.612 ( -1.799 -2.461 -0.221) 3.057 11.314 ( 17.967 1.095 0.253) 18.002 12.190 ( 4.572 -0.388 -0.356) 4.603======================= Grid point 460 (165/670) =======================q-point: (-0.11 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( -32.085 -0.608 -0.625) 32.097 3.390 ( -28.479 -0.265 0.179) 28.481 4.367 ( -20.217 0.114 -0.318) 20.220 9.435 ( -9.314 0.222 -0.305) 9.322 10.082 ( -13.685 -0.096 0.406) 13.691 10.459 ( 0.200 -0.236 0.192) 0.364 10.584 ( -0.636 0.294 0.258) 0.746 11.647 ( 20.478 -0.052 0.313) 20.481 12.260 ( 4.027 0.023 -0.473) 4.054======================= Grid point 461 (166/670) =======================q-point: (-0.05 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.080 ( -32.926 3.533 -1.364) 33.143 2.882 ( -30.630 -1.221 0.041) 30.654 3.982 ( -29.158 6.263 -0.189) 29.824 9.287 ( -8.352 0.286 -0.173) 8.359 9.845 ( -15.665 2.194 0.197) 15.819 10.468 ( 1.738 -1.113 0.104) 2.067 10.586 ( -0.255 0.973 0.527) 1.136 11.982 ( 20.407 -2.323 0.362) 20.542 12.321 ( 3.461 -0.075 -0.551) 3.505======================= Grid point 467 (167/670) =======================q-point: ( 0.26 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -0.000 33.445 -0.556) 33.450 2.585 ( 0.000 26.537 1.391) 26.573 3.818 ( -0.000 35.857 -0.761) 35.865 9.170 ( -0.000 6.570 -1.179) 6.675 9.770 ( 0.000 17.115 0.714) 17.130 10.482 ( 0.000 -3.179 0.616) 3.238 10.597 ( 0.000 0.939 0.550) 1.089 12.139 ( 0.000 -19.320 0.940) 19.343 12.334 ( -0.000 -3.406 -1.277) 3.638======================= Grid point 468 (168/670) =======================q-point: ( 0.32 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( 4.552 33.370 -1.235) 33.701 2.925 ( 10.446 23.955 1.098) 26.156 4.157 ( 2.160 29.500 -0.932) 29.594 9.258 ( 3.163 6.645 -1.080) 7.438 9.954 ( 2.148 16.150 0.941) 16.320 10.457 ( 0.489 -2.911 0.634) 3.019 10.608 ( -0.550 1.800 0.633) 1.986 11.916 ( -4.032 -19.934 1.114) 20.368 12.290 ( -1.084 -3.021 -1.518) 3.551======================= Grid point 469 (169/670) =======================q-point: ( 0.37 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.681 ( 8.061 31.259 -1.777) 32.331 3.372 ( 15.584 21.283 0.725) 26.388 4.437 ( 2.170 21.245 -1.034) 21.381 9.394 ( 5.510 6.982 -0.951) 8.945 10.150 ( 3.417 13.811 1.258) 14.283 10.452 ( 1.561 -1.843 0.661) 2.504 10.615 ( -1.139 2.341 0.686) 2.693 11.637 ( -6.996 -18.942 1.114) 20.224 12.230 ( -2.019 -3.236 -1.615) 4.142======================= Grid point 470 (170/670) =======================q-point: ( 0.42 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.116 ( 10.353 27.385 -1.983) 29.344 3.829 ( 14.753 18.819 0.345) 23.914 4.634 ( 2.245 13.113 -0.962) 13.339 9.565 ( 6.430 7.764 -0.852) 10.117 10.333 ( 3.815 10.126 1.713) 10.955 10.476 ( 1.980 -0.265 0.668) 2.106 10.622 ( -0.777 2.283 0.692) 2.509 11.336 ( -8.426 -16.496 0.898) 18.545 12.153 ( -2.520 -3.756 -1.615) 4.803======================= Grid point 471 (171/670) =======================q-point: ( 0.47 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.533 ( 11.050 22.272 -1.799) 24.928 4.194 ( 8.162 15.046 -0.146) 17.117 4.785 ( 4.805 8.000 -0.561) 9.349 9.747 ( 5.723 8.930 -0.790) 10.636 10.469 ( 2.525 4.478 2.362) 5.658 10.501 ( -0.249 1.670 0.725) 1.837 10.651 ( 2.390 1.311 0.619) 2.795 11.059 ( -7.550 -12.092 0.223) 14.257 12.068 ( -2.337 -4.347 -1.507) 5.161======================= Grid point 472 (172/670) =======================q-point: ( 0.53 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.894 ( 9.885 16.543 -1.270) 19.314 4.373 ( 0.596 8.126 -0.594) 8.169 4.967 ( 7.241 8.301 -0.014) 11.016 9.916 ( 3.538 10.079 -0.717) 10.706 10.478 ( -2.895 0.077 1.386) 3.211 10.514 ( -1.348 -0.811 2.378) 2.851 10.725 ( 4.815 0.169 0.421) 4.836 10.885 ( -2.418 -4.985 -0.726) 5.588 11.987 ( -1.406 -4.735 -1.283) 5.103======================= Grid point 473 (173/670) =======================q-point: ( 0.58 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.166 ( 6.796 10.809 -0.527) 12.778 4.409 ( -1.362 2.978 -0.599) 3.328 5.154 ( 4.221 8.897 0.200) 9.850 10.048 ( 0.454 10.325 -0.492) 10.346 10.393 ( -4.165 -4.596 1.675) 6.425 10.478 ( -3.252 2.138 1.100) 4.045 10.800 ( 4.461 -1.376 -0.141) 4.671 10.860 ( 2.337 -2.418 -0.152) 3.367 11.927 ( 0.123 -4.699 -0.970) 4.800======================= Grid point 474 (174/670) =======================q-point: ( 0.63 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.319 ( 1.898 5.632 0.196) 5.947 4.408 ( -0.619 1.228 -0.402) 1.433 5.262 ( -0.991 7.464 0.234) 7.534 10.123 ( -2.388 8.551 0.138) 8.880 10.300 ( -3.010 -1.735 0.264) 3.484 10.456 ( -2.717 3.146 0.837) 4.240 10.838 ( 2.635 -3.006 -0.650) 4.050 10.882 ( 3.233 -3.716 0.537) 4.954 11.898 ( 1.923 -4.170 -0.641) 4.636======================= Grid point 475 (175/670) =======================q-point: (-0.32 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.335 ( -4.312 1.601 0.615) 4.641 4.416 ( -0.076 1.663 -0.190) 1.676 5.262 ( -6.000 4.379 0.210) 7.431 10.132 ( -5.672 6.637 0.534) 8.747 10.271 ( 0.598 0.515 -0.705) 1.058 10.453 ( -1.831 3.612 0.778) 4.123 10.827 ( 0.443 -4.070 -0.646) 4.145 10.892 ( 2.388 -4.322 0.525) 4.965 11.907 ( 3.585 -3.233 -0.396) 4.844======================= Grid point 476 (176/670) =======================q-point: (-0.26 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.209 ( -11.307 -0.939 0.640) 11.364 4.429 ( -1.631 3.244 -0.113) 3.633 5.152 ( -9.591 0.321 0.139) 9.598 10.063 ( -9.164 5.113 -0.059) 10.494 10.325 ( 4.935 0.301 -0.199) 4.948 10.467 ( -1.117 3.764 0.737) 3.995 10.774 ( -1.659 -4.319 -0.529) 4.657 10.887 ( 1.699 -3.284 0.346) 3.714 11.952 ( 4.765 -2.060 -0.296) 5.199======================= Grid point 477 (177/670) =======================q-point: (-0.21 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.948 ( -18.244 -1.652 0.205) 18.319 4.394 ( -7.846 3.849 -0.081) 8.740 4.969 ( -10.045 -2.556 -0.003) 10.365 9.933 ( -10.455 2.456 -0.283) 10.743 10.408 ( 3.569 -0.122 0.408) 3.594 10.486 ( -0.937 2.821 0.590) 3.030 10.696 ( -2.783 -3.183 -0.272) 4.237 10.912 ( 4.845 -1.167 0.091) 4.985 12.022 ( 5.289 -0.875 -0.331) 5.371======================= Grid point 478 (178/670) =======================q-point: (-0.16 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.578 ( -24.300 -0.499 -0.545) 24.311 4.199 ( -18.023 -0.161 -0.062) 18.024 4.800 ( -8.451 0.059 -0.203) 8.453 9.767 ( -10.485 0.166 -0.258) 10.489 10.406 ( -4.144 0.047 0.787) 4.219 10.484 ( -1.114 -0.404 0.199) 1.202 10.635 ( -2.471 0.431 0.215) 2.518 11.055 ( 12.864 -0.133 0.044) 12.865 12.105 ( 5.165 0.044 -0.449) 5.184======================= Grid point 479 (179/670) =======================q-point: (-0.11 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.136 ( -28.837 2.277 -1.409) 28.961 3.813 ( -24.240 -4.328 -0.104) 24.623 4.659 ( -12.207 4.973 -0.327) 13.186 9.592 ( -9.786 -0.908 -0.165) 9.829 10.293 ( -10.042 1.591 0.728) 10.194 10.450 ( -0.588 -2.686 -0.028) 2.750 10.620 ( -1.847 2.923 0.656) 3.519 11.314 ( 18.056 -1.264 0.223) 18.101 12.188 ( 4.556 0.452 -0.594) 4.617======================= Grid point 480 (180/670) =======================q-point: (-0.05 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.665 ( -31.364 6.275 -2.179) 32.060 3.340 ( -26.681 -3.801 -0.137) 26.951 4.464 ( -19.480 9.039 -0.356) 21.478 9.429 ( -8.635 -0.528 -0.082) 8.652 10.120 ( -13.432 3.642 0.518) 13.927 10.427 ( 1.059 -2.552 0.017) 2.763 10.621 ( -1.715 2.683 0.818) 3.288 11.613 ( 19.901 -3.616 0.393) 20.230 12.260 ( 3.732 0.254 -0.726) 3.810======================= Grid point 487 (181/670) =======================q-point: ( 0.32 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.551 ( -0.000 33.615 -1.549) 33.650 3.058 ( 0.000 21.685 1.040) 21.710 4.413 ( -0.000 26.183 -1.039) 26.203 9.289 ( -0.000 6.260 -1.018) 6.342 10.095 ( 0.000 15.604 1.120) 15.644 10.422 ( 0.000 -3.294 0.599) 3.348 10.639 ( 0.000 3.111 0.716) 3.192 11.758 ( 0.000 -20.103 1.142) 20.136 12.268 ( -0.000 -2.750 -1.618) 3.191======================= Grid point 488 (182/670) =======================q-point: ( 0.37 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.892 ( 3.164 31.890 -1.892) 32.103 3.344 ( 9.929 18.751 0.789) 21.232 4.633 ( -0.661 20.527 -1.088) 20.567 9.376 ( 3.580 6.054 -0.893) 7.090 10.251 ( 1.147 13.655 1.386) 13.773 10.404 ( 1.315 -2.860 0.581) 3.201 10.668 ( -0.964 4.015 0.763) 4.199 11.543 ( -3.371 -18.912 1.059) 19.239 12.226 ( -1.369 -2.738 -1.654) 3.479======================= Grid point 489 (183/670) =======================q-point: ( 0.42 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.251 ( 5.429 28.395 -2.042) 28.981 3.730 ( 15.352 15.339 0.433) 21.706 4.776 ( -2.073 14.594 -1.000) 14.774 9.518 ( 6.511 6.240 -0.767) 9.051 10.395 ( 1.440 10.068 1.778) 10.325 10.418 ( 2.948 -1.844 0.584) 3.526 10.686 ( -2.006 4.435 0.753) 4.926 11.297 ( -5.629 -16.142 0.778) 17.113 12.160 ( -2.621 -3.025 -1.612) 4.315======================= Grid point 490 (184/670) =======================q-point: ( 0.47 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.601 ( 6.824 23.532 -1.901) 24.575 4.118 ( 14.490 10.994 -0.033) 18.189 4.857 ( -1.612 10.588 -0.649) 10.729 9.703 ( 8.038 6.911 -0.681) 10.622 10.462 ( 3.805 -1.206 0.571) 4.032 10.496 ( 0.726 4.550 2.419) 5.204 10.693 ( -2.404 4.378 0.659) 5.037 11.063 ( -6.214 -11.123 0.128) 12.742 12.074 ( -3.294 -3.468 -1.474) 5.005======================= Grid point 491 (185/670) =======================q-point: ( 0.53 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.915 ( 7.088 17.895 -1.469) 19.303 4.374 ( 6.206 4.393 -0.624) 7.629 4.968 ( 3.728 10.704 -0.008) 11.335 9.907 ( 7.668 7.938 -0.634) 11.055 10.497 ( -1.125 -2.994 2.784) 4.241 10.516 ( 1.870 -0.958 0.735) 2.226 10.704 ( -0.726 3.481 0.500) 3.591 10.898 ( -4.300 -3.744 -0.668) 5.741 11.980 ( -3.062 -3.808 -1.233) 5.040======================= Grid point 492 (186/670) =======================q-point: ( 0.58 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.168 ( 5.933 12.150 -0.843) 13.548 4.428 ( -0.087 -0.429 -0.751) 0.870 5.168 ( 6.072 10.936 0.283) 12.512 10.095 ( 4.831 8.333 -0.484) 9.644 10.412 ( -2.866 -5.553 2.276) 6.650 10.532 ( -0.434 0.432 0.552) 0.824 10.738 ( 1.822 1.162 0.124) 2.164 10.832 ( -1.584 -1.110 -0.441) 1.983 11.897 ( -1.890 -3.786 -0.915) 4.330======================= Grid point 493 (187/670) =======================q-point: ( 0.63 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.336 ( 3.205 6.915 -0.197) 7.624 4.405 ( -0.353 -1.692 -0.564) 1.818 5.341 ( 2.204 8.980 0.272) 9.251 10.188 ( -0.408 1.893 0.610) 2.030 10.366 ( -1.170 3.864 0.140) 4.039 10.522 ( -1.680 1.455 0.540) 2.287 10.774 ( 1.867 -1.130 -0.349) 2.210 10.803 ( 1.058 -3.686 0.289) 3.845 11.844 ( -0.055 -3.278 -0.591) 3.331======================= Grid point 494 (188/670) =======================q-point: (-0.32 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.394 ( 0.826 -0.518 -0.203) 0.996 4.405 ( -0.539 2.167 0.040) 2.233 5.403 ( -3.591 5.841 0.214) 6.860 10.175 ( 0.062 -1.557 0.916) 1.807 10.388 ( -5.280 8.679 -0.905) 10.199 10.513 ( -1.622 2.111 0.505) 2.710 10.774 ( 2.054 -3.905 -0.091) 4.413 10.802 ( 2.405 -3.829 0.197) 4.526 11.831 ( 1.984 -2.338 -0.351) 3.087======================= Grid point 495 (189/670) =======================q-point: (-0.26 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.356 ( -6.397 0.364 0.142) 6.409 4.423 ( 2.415 -0.080 -0.219) 2.426 5.335 ( -9.095 2.244 0.152) 9.369 10.179 ( 0.423 -0.330 0.616) 0.817 10.340 ( -6.492 4.347 -0.608) 7.837 10.512 ( -0.821 1.613 0.441) 1.863 10.761 ( -0.546 -1.953 -0.196) 2.037 10.816 ( 3.357 -2.960 0.186) 4.479 11.862 ( 3.760 -1.137 -0.255) 3.937======================= Grid point 496 (190/670) =======================q-point: (-0.21 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.197 ( -12.461 -0.318 -0.260) 12.468 4.457 ( 0.692 0.043 -0.282) 0.749 5.158 ( -12.406 -0.078 0.087) 12.406 10.112 ( -8.683 -0.084 -0.164) 8.685 10.336 ( 3.783 0.316 0.681) 3.856 10.511 ( -0.489 -0.410 0.175) 0.662 10.726 ( -2.321 0.363 0.179) 2.356 10.850 ( 2.471 -0.213 -0.176) 2.486 11.930 ( 4.908 0.083 -0.302) 4.918======================= Grid point 497 (191/670) =======================q-point: (-0.16 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.938 ( -18.396 0.854 -0.981) 18.442 4.392 ( -7.928 -3.953 -0.346) 8.866 4.968 ( -10.013 2.527 -0.045) 10.327 9.934 ( -10.374 -2.223 -0.181) 10.611 10.416 ( 3.508 0.394 1.295) 3.760 10.480 ( -0.912 -3.384 -0.086) 3.505 10.703 ( -2.768 3.658 0.622) 4.629 10.907 ( 4.912 0.839 -0.432) 5.002 12.021 ( 5.242 0.999 -0.447) 5.355======================= Grid point 498 (192/670) =======================q-point: (-0.11 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.602 ( -23.559 3.573 -1.815) 23.897 4.105 ( -17.795 -8.054 -0.293) 19.535 4.880 ( -7.513 7.110 -0.292) 10.348 9.738 ( -9.730 -2.898 -0.093) 10.153 10.423 ( -1.313 -3.151 -0.104) 3.415 10.435 ( -2.927 0.709 1.378) 3.311 10.701 ( -2.852 4.815 0.826) 5.657 11.047 ( 11.729 -0.571 -0.247) 11.746 12.116 ( 4.820 1.314 -0.631) 5.036======================= Grid point 499 (193/670) =======================q-point: (-0.05 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.220 ( -27.356 7.351 -2.561) 28.442 3.694 ( -21.587 -6.462 -0.212) 22.534 4.807 ( -11.337 9.297 -0.479) 14.669 9.560 ( -8.425 -1.939 -0.056) 8.645 10.352 ( -9.012 3.649 1.061) 9.781 10.384 ( 0.279 -3.518 0.037) 3.529 10.699 ( -3.127 4.277 0.957) 5.384 11.269 ( 16.484 -3.391 0.143) 16.830 12.199 ( 3.927 0.915 -0.813) 4.113======================= Grid point 507 (194/670) =======================q-point: ( 0.37 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.165 ( -0.000 30.508 -2.091) 30.579 3.430 ( 0.000 16.297 0.718) 16.313 4.821 ( -0.000 16.955 -1.100) 16.991 9.397 ( -0.000 5.314 -0.772) 5.370 10.365 ( 0.000 -2.916 0.514) 2.961 10.372 ( 0.000 11.905 1.623) 12.015 10.723 ( 0.000 5.003 0.802) 5.067 11.396 ( 0.000 -17.400 0.864) 17.422 12.209 ( -0.000 -2.393 -1.634) 2.898======================= Grid point 508 (195/670) =======================q-point: ( 0.42 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.457 ( 1.958 27.354 -2.162) 27.509 3.656 ( 9.229 13.242 0.486) 16.148 4.945 ( -2.037 12.624 -1.007) 12.827 9.478 ( 4.105 4.919 -0.630) 6.438 10.355 ( 1.853 -2.401 0.452) 3.066 10.480 ( 0.229 8.390 2.020) 8.633 10.765 ( -1.300 5.321 0.767) 5.531 11.221 ( -2.648 -13.988 0.469) 14.244 12.167 ( -1.741 -2.333 -1.539) 3.292======================= Grid point 509 (196/670) =======================q-point: ( 0.47 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.738 ( 3.259 22.790 -2.008) 23.110 3.970 ( 13.990 9.529 0.155) 16.928 4.998 ( -3.340 9.154 -0.755) 9.773 9.624 ( 7.644 4.957 -0.511) 9.125 10.383 ( 3.594 -1.776 0.379) 4.027 10.539 ( -0.631 2.314 2.565) 3.511 10.785 ( -2.539 5.079 0.641) 5.714 11.056 ( -4.025 -7.912 -0.160) 8.878 12.098 ( -3.285 -2.488 -1.355) 4.338======================= Grid point 510 (197/670) =======================q-point: ( 0.53 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.990 ( 4.070 17.345 -1.610) 17.889 4.264 ( 11.367 4.697 -0.254) 12.302 5.036 ( -0.653 8.061 -0.304) 8.093 9.820 ( 9.767 5.382 -0.445) 11.160 10.437 ( 4.351 -1.403 0.363) 4.586 10.507 ( -2.464 -4.724 2.628) 5.941 10.785 ( -3.116 4.478 0.497) 5.478 10.945 ( -3.973 -0.979 -0.578) 4.133 12.006 ( -4.058 -2.645 -1.081) 4.963======================= Grid point 511 (198/670) =======================q-point: ( 0.58 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.196 ( 4.198 11.670 -1.037) 12.446 4.403 ( 2.860 0.034 -0.511) 2.905 5.160 ( 5.743 8.343 0.090) 10.129 10.040 ( 9.654 5.991 -0.448) 11.371 10.402 ( -2.989 -6.761 2.208) 7.715 10.496 ( 3.565 -1.124 0.090) 3.739 10.773 ( -2.606 3.097 0.333) 4.061 10.883 ( -4.006 1.095 -0.418) 4.173 11.912 ( -3.711 -2.542 -0.745) 4.559======================= Grid point 512 (199/670) =======================q-point: ( 0.63 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.345 ( 3.265 6.251 -0.414) 7.064 4.400 ( -0.919 -1.207 -0.424) 1.576 5.346 ( 6.334 6.601 0.144) 9.149 10.204 ( 1.240 2.166 0.021) 2.496 10.350 ( 4.684 -0.657 0.887) 4.812 10.530 ( 1.318 -0.531 0.098) 1.424 10.765 ( -0.879 1.158 0.092) 1.456 10.814 ( -4.632 -0.693 -0.120) 4.685 11.836 ( -2.297 -2.012 -0.413) 3.082======================= Grid point 513 (200/670) =======================q-point: ( 0.68 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.371 ( -0.102 -0.950 -0.140) 0.966 4.428 ( 1.118 2.437 -0.103) 2.683 5.467 ( 1.761 3.443 0.089) 3.868 10.173 ( -1.694 -1.446 0.362) 2.257 10.495 ( 3.937 6.374 -0.002) 7.492 10.538 ( 0.985 0.399 -0.184) 1.078 10.712 ( -3.882 -4.605 0.305) 6.031 10.767 ( 0.292 -0.188 -0.112) 0.365 11.799 ( -0.235 -1.067 -0.171) 1.106======================= Grid point 514 (201/670) =======================q-point: (-0.26 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.381 ( 1.771 0.131 -0.096) 1.779 4.431 ( -2.173 -0.056 -0.000) 2.174 5.462 ( -4.249 -0.094 0.033) 4.250 10.155 ( 0.566 -0.372 0.123) 0.689 10.498 ( -5.714 0.462 0.132) 5.734 10.541 ( -3.665 -0.041 -0.172) 3.669 10.700 ( 6.310 -0.445 0.080) 6.327 10.771 ( 0.243 0.142 -0.003) 0.282 11.808 ( 1.931 0.140 -0.075) 1.937======================= Grid point 515 (202/670) =======================q-point: (-0.21 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.352 ( -6.580 -0.722 -0.358) 6.629 4.424 ( 2.319 0.254 -0.130) 2.337 5.333 ( -9.077 -2.414 -0.001) 9.392 10.172 ( 0.363 -0.505 -0.156) 0.641 10.352 ( -6.341 -3.305 0.702) 7.185 10.506 ( -0.826 -2.166 -0.181) 2.325 10.767 ( -0.381 2.397 0.440) 2.467 10.811 ( 3.330 2.577 -0.395) 4.229 11.863 ( 3.688 1.360 -0.132) 3.933======================= Grid point 516 (203/670) =======================q-point: (-0.16 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.195 ( -11.661 0.450 -0.968) 11.709 4.427 ( -1.808 -3.238 -0.308) 3.721 5.150 ( -9.540 -0.384 -0.036) 9.548 10.061 ( -8.756 -4.877 -0.241) 10.025 10.338 ( 4.848 -0.399 1.323) 5.041 10.459 ( -1.111 -4.060 -0.221) 4.215 10.785 ( -1.599 4.530 0.745) 4.862 10.879 ( 1.686 3.101 -0.620) 3.584 11.951 ( 4.641 2.240 -0.304) 5.162======================= Grid point 517 (204/670) =======================q-point: (-0.11 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.969 ( -16.749 3.106 -1.723) 17.122 4.259 ( -10.946 -8.829 -0.351) 14.067 5.049 ( -5.528 5.373 -0.211) 7.712 9.856 ( -9.073 -5.251 -0.074) 10.483 10.395 ( -0.976 -4.572 -0.261) 4.683 10.433 ( 4.658 0.108 1.891) 5.029 10.801 ( -2.560 5.348 0.857) 5.990 10.936 ( 2.817 2.325 -0.752) 3.729 12.052 ( 4.642 2.429 -0.537) 5.266======================= Grid point 518 (205/670) =======================q-point: (-0.05 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.691 ( -21.270 6.687 -2.429) 22.428 3.936 ( -16.057 -8.289 -0.233) 18.072 5.028 ( -5.714 7.809 -0.472) 9.688 9.670 ( -7.807 -3.667 -0.061) 8.626 10.342 ( -0.112 -4.047 -0.042) 4.049 10.480 ( -1.192 1.658 1.953) 2.826 10.804 ( -3.442 5.002 0.928) 6.143 11.033 ( 8.213 -0.596 -0.553) 8.253 12.144 ( 3.889 1.790 -0.779) 4.351======================= Grid point 527 (206/670) =======================q-point: ( 0.42 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.688 ( -0.000 24.493 -2.191) 24.591 3.696 ( 0.000 10.928 0.409) 10.935 5.068 ( -0.000 9.588 -0.918) 9.632 9.483 ( -0.000 3.973 -0.474) 4.001 10.318 ( 0.000 -2.166 0.354) 2.194 10.549 ( 0.000 4.333 2.340) 4.924 10.831 ( 0.000 5.419 0.693) 5.463 11.127 ( -0.000 -9.568 0.003) 9.568 12.159 ( -0.000 -1.888 -1.384) 2.341======================= Grid point 528 (207/670) =======================q-point: ( 0.47 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.863 ( 8.351 8.130 0.194) 11.657 3.908 ( 1.067 20.151 -2.001) 20.278 5.124 ( -2.374 6.775 -0.712) 7.214 9.557 ( 4.658 3.454 -0.327) 5.808 10.318 ( 2.111 -1.659 0.250) 2.696 10.564 ( -0.854 -1.510 2.503) 3.046 10.870 ( -1.508 4.939 0.538) 5.192 11.048 ( -1.749 -3.308 -0.394) 3.763 12.121 ( -2.092 -1.692 -1.141) 2.922======================= Grid point 529 (208/670) =======================q-point: ( 0.53 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.092 ( 3.715 12.699 -1.368) 13.302 4.111 ( 10.091 7.077 -0.285) 12.329 5.130 ( -2.787 4.998 -0.409) 5.737 9.702 ( 8.717 3.275 -0.219) 9.315 10.355 ( 3.788 -1.184 0.141) 3.972 10.506 ( -2.469 -5.459 2.091) 6.346 10.879 ( -2.801 4.091 0.423) 4.976 11.001 ( -2.685 1.024 -0.438) 2.907 12.051 ( -3.840 -1.588 -0.820) 4.236======================= Grid point 530 (209/670) =======================q-point: ( 0.58 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.241 ( 2.411 9.166 -1.065) 9.537 4.319 ( 8.105 1.705 -0.202) 8.285 5.156 ( 1.576 4.358 -0.108) 4.636 9.902 ( 11.314 3.208 -0.172) 11.761 10.403 ( -3.450 -5.440 1.450) 6.603 10.416 ( 4.284 -0.932 -0.062) 4.384 10.859 ( -3.626 2.698 0.318) 4.531 10.963 ( -3.652 1.710 -0.303) 4.044 11.963 ( -4.611 -1.339 -0.456) 4.823======================= Grid point 531 (210/670) =======================q-point: ( 0.63 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.345 ( 2.578 3.919 -0.449) 4.712 4.398 ( 1.086 0.104 -0.158) 1.102 5.272 ( 7.152 2.972 -0.014) 7.745 10.129 ( 11.556 3.103 -0.273) 11.968 10.300 ( -3.057 -4.010 0.757) 5.099 10.479 ( 3.685 -0.496 -0.058) 3.719 10.817 ( -3.421 1.125 0.146) 3.605 10.902 ( -5.069 0.701 -0.154) 5.119 11.877 ( -4.101 -0.754 -0.113) 4.171======================= Grid point 532 (211/670) =======================q-point: (-0.32 -0.58 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.379 ( -0.814 0.147 0.159) 0.842 4.415 ( 1.781 0.242 -0.121) 1.801 5.410 ( 6.591 -0.072 -0.065) 6.592 10.206 ( -3.101 -0.234 -0.294) 3.123 10.363 ( 11.685 -0.183 0.208) 11.688 10.523 ( 1.670 -0.034 -0.064) 1.672 10.775 ( -2.145 -0.061 -0.050) 2.147 10.807 ( -6.328 0.040 -0.025) 6.328 11.818 ( -2.489 0.200 0.132) 2.501======================= Grid point 533 (212/670) =======================q-point: (-0.26 -0.58 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.374 ( -0.156 1.223 0.226) 1.253 4.430 ( 0.966 -2.223 0.090) 2.425 5.465 ( 1.768 -3.611 -0.113) 4.022 10.166 ( -1.669 0.777 -0.468) 1.900 10.497 ( 4.124 -5.725 0.262) 7.060 10.539 ( 1.284 -1.180 -0.096) 1.747 10.706 ( -4.222 4.526 -0.293) 6.197 10.769 ( 0.311 0.335 0.097) 0.467 11.802 ( -0.303 1.407 0.231) 1.458======================= Grid point 534 (213/670) =======================q-point: (-0.21 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.394 ( -0.011 -0.597 -0.068) 0.601 4.407 ( -0.199 -0.874 0.162) 0.911 5.400 ( -3.561 -5.975 -0.116) 6.957 10.162 ( 0.085 0.907 -0.503) 1.041 10.402 ( -4.946 -8.446 0.685) 9.811 10.504 ( -1.675 -2.415 -0.483) 2.979 10.776 ( 2.842 5.147 0.135) 5.881 10.799 ( 1.739 2.779 -0.156) 3.282 11.836 ( 1.842 2.624 0.178) 3.211======================= Grid point 535 (214/670) =======================q-point: (-0.16 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.325 ( -4.816 -1.726 -0.512) 5.141 4.417 ( -0.353 -1.652 -0.058) 1.690 5.259 ( -5.938 -4.384 -0.074) 7.381 10.124 ( -4.949 -5.741 -0.346) 7.588 10.285 ( 0.357 -1.670 0.824) 1.896 10.443 ( -1.772 -3.797 -0.336) 4.204 10.839 ( 0.542 4.158 0.652) 4.244 10.882 ( 2.374 4.291 -0.563) 4.936 11.911 ( 3.378 3.478 -0.005) 4.848======================= Grid point 536 (215/670) =======================q-point: (-0.11 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.203 ( -9.083 0.879 -1.097) 9.191 4.318 ( -6.367 -7.859 -0.271) 10.118 5.161 ( -3.610 1.799 -0.109) 4.035 9.936 ( -7.694 -7.515 -0.052) 10.755 10.343 ( 4.921 0.189 0.962) 5.017 10.374 ( -1.429 -4.282 -0.037) 4.514 10.884 ( -0.836 4.901 0.771) 5.032 10.944 ( 0.773 3.607 -0.662) 3.748 12.008 ( 3.931 3.574 -0.275) 5.320======================= Grid point 537 (216/670) =======================q-point: (-0.05 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.033 ( -13.601 4.100 -1.601) 14.295 4.077 ( -11.177 -8.946 -0.349) 14.321 5.156 ( -2.248 5.496 -0.334) 5.947 9.748 ( -6.821 -5.451 -0.065) 8.732 10.311 ( -0.804 -3.934 -0.046) 4.015 10.439 ( 5.424 -0.509 1.784) 5.733 10.905 ( -2.467 4.726 0.814) 5.393 10.981 ( 0.611 2.601 -0.762) 2.779 12.101 ( 3.508 2.733 -0.580) 4.485======================= Grid point 547 (217/670) =======================q-point: ( 0.47 0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.860 ( 0.000 6.084 0.102) 6.085 4.072 ( -0.000 16.076 -1.826) 16.180 5.197 ( -0.000 4.590 -0.531) 4.621 9.544 ( -0.000 2.442 -0.151) 2.447 10.286 ( 0.000 -1.282 0.123) 1.288 10.549 ( 0.000 -4.434 2.057) 4.888 10.929 ( 0.000 4.218 0.405) 4.238 11.048 ( -0.000 0.386 -0.389) 0.548 12.123 ( -0.000 -1.159 -0.835) 1.428======================= Grid point 548 (218/670) =======================q-point: ( 0.53 0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.976 ( 7.713 3.724 -0.064) 8.565 4.202 ( 0.414 10.976 -1.437) 11.077 5.212 ( -2.239 2.899 -0.277) 3.673 9.607 ( 5.114 1.805 -0.005) 5.423 10.294 ( 2.189 -0.836 -0.008) 2.343 10.495 ( -1.502 -4.804 1.318) 5.203 10.952 ( -1.570 3.049 0.333) 3.446 11.047 ( -1.319 1.608 -0.298) 2.100 12.092 ( -2.344 -0.792 -0.463) 2.517======================= Grid point 549 (219/670) =======================q-point: ( 0.58 0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.164 ( 10.748 1.458 -0.165) 10.848 4.289 ( 0.968 5.507 -0.899) 5.663 5.192 ( -2.041 1.655 -0.047) 2.628 9.745 ( 9.451 1.218 0.103) 9.530 10.339 ( 3.792 -0.441 -0.164) 3.821 10.420 ( -2.940 -3.189 0.538) 4.370 10.937 ( -2.989 1.482 0.254) 3.346 11.029 ( -2.515 1.135 -0.222) 2.768 12.029 ( -4.163 -0.391 -0.071) 4.182======================= Grid point 550 (220/670) =======================q-point: (-0.37 -0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.318 ( 4.765 0.219 -0.212) 4.774 4.347 ( 4.014 0.299 -0.164) 4.029 5.199 ( 2.441 0.046 0.006) 2.441 9.936 ( 12.124 0.125 0.191) 12.126 10.342 ( -3.809 -0.681 -0.385) 3.889 10.407 ( 4.318 -0.015 -0.109) 4.319 10.886 ( -3.831 -0.126 0.106) 3.835 10.982 ( -3.814 0.092 -0.126) 3.817 11.952 ( -4.833 0.243 0.275) 4.847======================= Grid point 551 (221/670) =======================q-point: (-0.32 -0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.349 ( 2.506 -3.307 0.094) 4.151 4.402 ( 1.157 0.235 0.315) 1.222 5.271 ( 7.073 -3.029 -0.131) 7.695 10.134 ( 11.828 -2.760 0.355) 12.151 10.284 ( -3.245 2.670 -1.046) 4.330 10.478 ( 3.680 0.435 -0.230) 3.712 10.815 ( -3.392 -1.320 -0.033) 3.640 10.904 ( -5.089 -0.514 -0.030) 5.115 11.883 ( -4.148 1.191 0.514) 4.346======================= Grid point 552 (222/670) =======================q-point: (-0.26 -0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.352 ( 3.037 -5.823 0.357) 6.577 4.408 ( -0.925 1.515 0.553) 1.859 5.342 ( 6.307 -6.724 -0.238) 9.222 10.200 ( -0.104 -1.404 -0.421) 1.470 10.337 ( 6.369 -0.876 -0.544) 6.452 10.526 ( 1.245 0.296 -0.325) 1.321 10.763 ( -0.822 -1.206 -0.145) 1.467 10.816 ( -4.699 0.888 0.109) 4.783 11.845 ( -2.408 2.384 0.610) 3.443======================= Grid point 553 (223/670) =======================q-point: (-0.21 -0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.341 ( 2.811 -6.632 0.386) 7.213 4.415 ( -0.515 1.863 0.552) 2.010 5.336 ( 2.244 -9.060 -0.226) 9.336 10.178 ( -0.898 -0.951 -0.564) 1.425 10.363 ( 0.044 -5.374 -0.196) 5.378 10.512 ( -1.838 -1.773 -0.578) 2.618 10.777 ( 2.406 1.172 -0.114) 2.679 10.801 ( 0.440 3.856 0.177) 3.885 11.854 ( -0.234 3.598 0.567) 3.650======================= Grid point 554 (224/670) =======================q-point: (-0.16 -0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.319 ( 1.347 -5.454 0.206) 5.621 4.414 ( -0.949 -1.264 0.292) 1.607 5.260 ( -0.903 -7.366 -0.103) 7.422 10.121 ( -2.392 -7.356 -0.029) 7.735 10.295 ( -2.372 0.107 -0.387) 2.406 10.444 ( -2.624 -3.331 -0.480) 4.268 10.845 ( 2.987 2.785 0.048) 4.085 10.876 ( 2.876 3.996 -0.004) 4.923 11.907 ( 1.673 4.454 0.399) 4.775======================= Grid point 555 (225/670) =======================q-point: (-0.11 0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.279 ( -1.430 -2.863 -0.136) 3.203 4.331 ( -4.296 -7.572 -0.045) 8.706 5.200 ( -0.597 -1.089 0.005) 1.242 9.964 ( -5.369 -9.409 0.086) 10.834 10.303 ( 1.067 2.359 -0.027) 2.589 10.366 ( -2.324 -3.866 -0.260) 4.518 10.919 ( 1.879 3.615 0.240) 4.082 10.954 ( 2.014 3.158 -0.194) 3.750 11.991 ( 2.743 4.526 0.124) 5.294======================= Grid point 556 (226/670) =======================q-point: (-0.05 0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.136 ( -7.469 -9.922 -0.019) 12.419 4.214 ( -5.239 0.577 -0.702) 5.317 5.214 ( 0.235 3.336 -0.119) 3.347 9.790 ( -5.376 -7.063 -0.032) 8.876 10.294 ( -1.535 -3.540 -0.034) 3.859 10.361 ( 3.421 0.870 0.669) 3.593 10.971 ( -0.115 3.587 0.495) 3.623 11.002 ( 0.590 2.589 -0.442) 2.691 12.078 ( 2.755 3.583 -0.218) 4.525======================= Grid point 567 (227/670) =======================q-point: ( 0.53 0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.936 ( -0.000 1.907 -0.204) 1.918 4.278 ( -0.000 5.963 -1.092) 6.062 5.252 ( -0.000 1.419 -0.031) 1.420 9.576 ( 0.000 0.848 0.178) 0.866 10.269 ( -0.000 -0.438 -0.146) 0.462 10.471 ( 0.000 -3.029 0.477) 3.066 10.989 ( 0.000 1.575 0.279) 1.600 11.071 ( -0.000 1.096 -0.235) 1.121 12.106 ( -0.000 -0.230 -0.053) 0.236======================= Grid point 568 (228/670) =======================q-point: (-0.42 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.010 ( 7.485 -0.019 -0.312) 7.491 4.309 ( 0.191 0.550 -0.630) 0.858 5.240 ( -2.151 0.153 0.204) 2.166 9.626 ( 5.303 0.051 0.322) 5.313 10.285 ( 2.196 -0.038 -0.286) 2.215 10.440 ( -1.604 -0.623 -0.332) 1.752 10.983 ( -1.620 -0.113 0.214) 1.638 11.066 ( -1.272 0.074 -0.204) 1.290 12.086 ( -2.442 0.257 0.349) 2.480======================= Grid point 569 (229/670) =======================q-point: (-0.37 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.163 ( 10.863 -1.422 -0.248) 10.958 4.296 ( 0.943 -4.536 -0.126) 4.634 5.195 ( -2.134 -1.416 0.301) 2.579 9.748 ( 9.464 -1.082 0.436) 9.536 10.337 ( 3.705 0.363 -0.486) 3.755 10.406 ( -2.848 1.957 -0.985) 3.593 10.935 ( -3.018 -1.726 0.075) 3.478 11.030 ( -2.488 -0.933 -0.111) 2.660 12.036 ( -4.183 0.876 0.682) 4.328======================= Grid point 570 (230/670) =======================q-point: (-0.32 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.252 ( 2.425 -8.313 0.192) 8.662 4.323 ( 8.314 -1.667 0.237) 8.483 5.159 ( 1.302 -4.228 0.139) 4.426 9.909 ( 11.376 -3.055 0.539) 11.791 10.373 ( -3.011 4.027 -1.892) 5.373 10.416 ( 3.851 1.101 -0.294) 4.016 10.855 ( -3.639 -2.918 -0.074) 4.665 10.966 ( -3.630 -1.429 0.030) 3.901 11.975 ( -4.672 1.758 0.897) 5.072======================= Grid point 571 (231/670) =======================q-point: (-0.26 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.210 ( 4.040 -11.096 0.593) 11.823 4.413 ( 3.101 0.141 0.656) 3.173 5.158 ( 5.482 -8.325 -0.170) 9.970 10.049 ( 9.671 -5.897 0.606) 11.343 10.364 ( -2.754 5.753 -2.221) 6.754 10.491 ( 3.465 1.022 -0.477) 3.644 10.769 ( -2.562 -3.285 -0.193) 4.170 10.889 ( -4.003 -0.706 0.232) 4.071 11.927 ( -3.825 2.890 0.977) 4.892======================= Grid point 572 (232/670) =======================q-point: (-0.21 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.182 ( 5.648 -11.727 0.837) 13.043 4.442 ( -0.148 0.534 0.818) 0.988 5.163 ( 6.035 -10.905 -0.281) 12.467 10.103 ( 4.538 -8.027 0.493) 9.234 10.374 ( -1.989 4.692 -2.147) 5.530 10.521 ( -0.658 -0.781 -0.620) 1.195 10.734 ( 2.008 -1.311 -0.363) 2.426 10.840 ( -1.752 1.522 0.524) 2.379 11.913 ( -2.059 4.084 0.935) 4.668======================= Grid point 573 (233/670) =======================q-point: (-0.16 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.178 ( 6.342 -10.444 0.941) 12.255 4.419 ( -1.652 -3.165 0.574) 3.616 5.151 ( 4.325 -8.624 -0.097) 9.648 10.056 ( 0.279 -9.991 0.405) 10.004 10.365 ( -3.319 4.324 -1.712) 5.714 10.462 ( -3.159 -2.839 -0.660) 4.298 10.796 ( 4.740 1.086 -0.561) 4.895 10.868 ( 1.888 2.799 0.658) 3.440 11.942 ( -0.106 4.967 0.790) 5.031======================= Grid point 574 (234/670) =======================q-point: (-0.11 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.194 ( 5.568 -7.703 0.868) 9.544 4.316 ( -3.556 -9.442 0.212) 10.091 5.160 ( 3.380 -2.319 0.140) 4.101 9.934 ( -2.570 -10.399 0.256) 10.715 10.350 ( -2.633 3.541 -0.718) 4.471 10.377 ( -3.180 -2.299 -0.885) 4.023 10.890 ( 4.568 1.812 -0.603) 4.951 10.939 ( 2.852 2.386 0.591) 3.765 12.004 ( 1.300 5.091 0.546) 5.283======================= Grid point 587 (235/670) =======================q-point: (-0.42 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.934 ( -0.000 -1.968 -0.498) 2.030 4.285 ( -0.000 -4.863 -0.274) 4.871 5.256 ( 0.000 -1.103 0.472) 1.200 9.578 ( 0.000 -0.760 0.496) 0.907 10.267 ( -0.000 0.369 -0.408) 0.550 10.458 ( -0.000 1.807 -1.119) 2.126 10.989 ( 0.000 -1.784 0.188) 1.794 11.072 ( -0.000 -0.931 -0.203) 0.953 12.113 ( 0.000 0.725 0.735) 1.033======================= Grid point 588 (236/670) =======================q-point: (-0.37 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.972 ( 7.812 -3.770 -0.553) 8.691 4.215 ( 0.399 -9.998 0.095) 10.007 5.220 ( -2.306 -2.618 0.640) 3.547 9.612 ( 5.116 -1.711 0.627) 5.431 10.290 ( 2.178 0.776 -0.528) 2.371 10.468 ( -1.486 3.666 -1.768) 4.333 10.951 ( -1.616 -3.275 0.094) 3.654 11.049 ( -1.276 -1.354 -0.118) 1.864 12.105 ( -2.360 1.224 1.031) 2.852======================= Grid point 589 (237/670) =======================q-point: (-0.32 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.097 ( 8.981 -7.557 -0.450) 11.746 4.121 ( 5.076 -11.463 0.521) 12.548 5.139 ( -3.012 -4.763 0.624) 5.670 9.710 ( 8.725 -3.174 0.713) 9.312 10.348 ( 3.722 1.155 -0.659) 3.952 10.469 ( -2.413 4.496 -2.218) 5.564 10.875 ( -2.854 -4.310 -0.043) 5.170 11.005 ( -2.610 -0.759 0.030) 2.719 12.069 ( -3.888 1.938 1.205) 4.508======================= Grid point 590 (238/670) =======================q-point: (-0.26 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.009 ( 4.013 -16.731 0.690) 17.219 4.268 ( 11.870 -4.789 0.144) 12.801 5.042 ( -1.108 -7.826 0.374) 7.913 9.830 ( 9.780 -5.287 0.746) 11.142 10.425 ( 3.504 1.781 -1.046) 4.068 10.465 ( -1.682 3.714 -2.211) 4.638 10.779 ( -3.152 -4.664 -0.154) 5.631 10.952 ( -3.814 1.081 0.189) 3.969 12.027 ( -4.145 2.920 1.255) 5.223======================= Grid point 591 (239/670) =======================q-point: (-0.21 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.937 ( 6.978 -17.419 1.051) 18.794 4.385 ( 6.639 -4.608 0.600) 8.104 4.968 ( 3.288 -10.386 0.029) 10.894 9.919 ( 7.641 -7.859 0.712) 10.984 10.449 ( -1.624 3.356 -2.626) 4.560 10.504 ( 2.294 0.391 -0.755) 2.446 10.697 ( -0.779 -3.650 -0.320) 3.746 10.908 ( -3.974 3.581 0.412) 5.365 12.001 ( -3.188 4.034 1.201) 5.281======================= Grid point 592 (240/670) =======================q-point: (-0.16 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.917 ( 9.677 -16.112 1.402) 18.847 4.384 ( 0.541 -8.610 0.599) 8.648 4.967 ( 7.201 -7.755 0.055) 10.583 9.927 ( 3.434 -10.017 0.566) 10.604 10.447 ( -1.645 2.868 -2.153) 3.946 10.486 ( -2.479 -2.144 -0.895) 3.397 10.715 ( 4.806 -0.363 -0.703) 4.871 10.898 ( -2.108 4.748 0.701) 5.242 12.008 ( -1.574 4.935 1.067) 5.289======================= Grid point 593 (241/670) =======================q-point: (-0.11 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.955 ( 11.115 -13.265 1.670) 17.386 4.256 ( -2.137 -13.820 0.294) 13.988 5.047 ( 7.427 -2.236 0.310) 7.763 9.855 ( 0.071 -10.437 0.328) 10.442 10.394 ( -3.496 -2.956 0.004) 4.578 10.451 ( -2.466 4.023 -2.529) 5.353 10.808 ( 5.908 0.484 -0.848) 5.988 10.929 ( 0.568 3.616 0.848) 3.757 12.047 ( -0.099 5.167 0.860) 5.239======================= Grid point 607 (242/670) =======================q-point: (-0.37 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.853 ( -0.000 -6.143 -0.765) 6.190 4.090 ( 0.000 -15.214 0.287) 15.217 5.210 ( 0.000 -4.339 0.870) 4.425 9.552 ( 0.000 -2.359 0.783) 2.485 10.280 ( -0.000 1.235 -0.614) 1.379 10.511 ( -0.000 3.612 -2.272) 4.267 10.926 ( 0.000 -4.522 0.058) 4.522 11.051 ( -0.000 -0.141 -0.086) 0.165 12.141 ( 0.000 1.506 1.275) 1.973======================= Grid point 608 (243/670) =======================q-point: (-0.32 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.854 ( 8.459 -8.230 -0.810) 11.830 3.930 ( 1.122 -19.424 0.492) 19.462 5.138 ( -2.468 -6.572 0.950) 7.084 9.567 ( 4.647 -3.372 0.884) 5.809 10.310 ( 2.098 1.629 -0.690) 2.744 10.521 ( -0.907 1.358 -2.454) 2.948 10.866 ( -1.516 -5.287 -0.051) 5.500 11.050 ( -1.682 3.171 -0.092) 3.591 12.143 ( -2.115 1.949 1.398) 3.198======================= Grid point 609 (244/670) =======================q-point: (-0.26 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.761 ( 3.295 -22.232 0.591) 22.483 3.965 ( 14.327 -9.666 -0.482) 17.289 5.012 ( -3.565 -8.961 0.876) 9.684 9.636 ( 7.618 -4.878 0.909) 9.092 10.373 ( 3.556 1.763 -0.760) 4.041 10.496 ( -0.806 -1.856 -2.358) 3.107 10.778 ( -2.523 -5.371 -0.136) 5.936 11.055 ( -3.836 7.320 -0.205) 8.267 12.122 ( -3.336 2.671 1.410) 4.500======================= Grid point 610 (245/670) =======================q-point: (-0.21 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.626 ( 6.895 -23.102 0.949) 24.128 4.117 ( 14.961 -11.248 -0.149) 18.718 4.868 ( -1.975 -10.300 0.685) 10.510 9.717 ( 7.993 -6.846 0.846) 10.558 10.447 ( 2.462 -0.285 -1.287) 2.793 10.458 ( 1.737 -2.391 -1.698) 3.408 10.685 ( -2.401 -4.591 -0.195) 5.184 11.059 ( -5.866 10.396 -0.269) 11.940 12.098 ( -3.370 3.603 1.334) 5.111======================= Grid point 611 (246/670) =======================q-point: (-0.16 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.561 ( 11.125 -21.866 1.448) 24.576 4.197 ( 8.489 -15.508 0.142) 17.680 4.794 ( 4.519 -7.535 0.504) 8.801 9.759 ( 5.629 -8.907 0.665) 10.558 10.431 ( 2.335 -3.880 -2.021) 4.958 10.490 ( -0.284 -1.504 -0.546) 1.625 10.641 ( 2.192 -1.532 -0.538) 2.728 11.056 ( -7.001 11.389 -0.138) 13.370 12.091 ( -2.439 4.459 1.197) 5.222======================= Grid point 612 (247/670) =======================q-point: (-0.11 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.586 ( 14.705 -18.919 2.003) 24.045 4.103 ( 1.867 -19.373 0.198) 19.464 4.876 ( 9.947 -3.053 0.496) 10.417 9.736 ( 2.457 -9.820 0.371) 10.129 10.424 ( -2.853 -2.713 -0.136) 3.939 10.449 ( 2.984 -2.408 -2.009) 4.329 10.708 ( 5.642 -0.006 -0.875) 5.709 11.045 ( -6.653 10.078 0.189) 12.077 12.109 ( -1.204 4.801 1.012) 5.052======================= Grid point 627 (248/670) =======================q-point: (-0.32 -0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.684 ( -0.000 -10.990 -0.993) 11.035 3.710 ( 0.000 -23.963 0.409) 23.966 5.086 ( 0.000 -9.455 1.084) 9.517 9.496 ( 0.000 -3.899 1.018) 4.029 10.309 ( -0.000 2.156 -0.728) 2.275 10.509 ( -0.000 -3.769 -2.210) 4.369 10.824 ( -0.000 -5.770 -0.133) 5.771 11.124 ( -0.000 8.969 -0.379) 8.977 12.184 ( 0.000 2.055 1.472) 2.528======================= Grid point 628 (249/670) =======================q-point: (-0.26 -0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.479 ( 1.999 -26.945 0.373) 27.022 3.644 ( 9.440 -13.348 -0.941) 16.376 4.963 ( -2.109 -12.545 1.076) 12.766 9.493 ( 4.072 -4.852 1.071) 6.424 10.345 ( 1.834 2.405 -0.757) 3.118 10.446 ( 0.135 -7.736 -1.857) 7.957 10.757 ( -1.282 -5.572 -0.182) 5.720 11.211 ( -2.581 13.405 -0.642) 13.666 12.193 ( -1.761 2.429 1.445) 3.330======================= Grid point 629 (250/670) =======================q-point: (-0.21 -0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.274 ( 5.617 -28.088 0.569) 28.649 3.720 ( 15.676 -15.476 -0.716) 22.040 4.793 ( -2.199 -14.520 0.974) 14.717 9.534 ( 6.437 -6.189 1.010) 8.986 10.366 ( 1.271 -9.655 -1.584) 9.866 10.406 ( 2.917 1.997 -0.791) 3.623 10.678 ( -1.984 -4.605 -0.188) 5.018 11.284 ( -5.504 15.722 -0.741) 16.674 12.185 ( -2.657 3.075 1.343) 4.280======================= Grid point 630 (251/670) =======================q-point: (-0.16 -0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.143 ( 10.675 -27.076 1.078) 29.124 3.823 ( 15.090 -19.009 -0.389) 24.273 4.650 ( 2.096 -13.010 0.813) 13.203 9.579 ( 6.304 -7.756 0.802) 10.027 10.306 ( 3.601 -9.640 -1.389) 10.384 10.464 ( 2.071 0.354 -0.691) 2.212 10.613 ( -0.896 -2.474 -0.300) 2.649 11.322 ( -8.222 16.193 -0.668) 18.173 12.177 ( -2.568 3.784 1.194) 4.726======================= Grid point 631 (252/670) =======================q-point: (-0.11 -0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.123 ( 16.037 -24.116 1.826) 29.019 3.813 ( 8.214 -23.164 -0.035) 24.577 4.655 ( 10.470 -8.088 0.611) 13.245 9.589 ( 4.246 -8.858 0.443) 9.833 10.301 ( 6.485 -8.080 -1.207) 10.431 10.450 ( -2.165 -1.898 -0.214) 2.887 10.626 ( 3.613 -0.050 -0.777) 3.696 11.317 ( -10.266 15.079 -0.456) 18.247 12.182 ( -1.853 4.171 1.016) 4.676======================= Grid point 647 (253/670) =======================q-point: (-0.26 -0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.184 ( 0.000 -30.280 0.135) 30.281 3.414 ( -0.000 -16.379 -1.181) 16.421 4.840 ( 0.000 -16.967 1.089) 17.002 9.413 ( 0.000 -5.255 1.175) 5.385 10.345 ( -0.000 -11.398 -1.475) 11.493 10.354 ( -0.000 2.940 -0.743) 3.032 10.715 ( -0.000 -5.168 -0.191) 5.171 11.381 ( -0.000 17.061 -0.850) 17.082 12.235 ( 0.000 2.421 1.385) 2.789======================= Grid point 648 (254/670) =======================q-point: (-0.21 -0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.908 ( 3.340 -31.760 0.049) 31.936 3.327 ( 10.148 -18.855 -1.120) 21.441 4.652 ( -0.693 -20.593 1.005) 20.629 9.394 ( 3.514 -6.012 1.162) 7.060 10.229 ( 1.092 -13.256 -1.227) 13.357 10.393 ( 1.285 2.893 -0.732) 3.249 10.660 ( -0.955 -4.121 -0.164) 4.233 11.526 ( -3.342 18.750 -0.873) 19.065 12.251 ( -1.380 2.718 1.257) 3.297======================= Grid point 649 (255/670) =======================q-point: (-0.16 -0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.700 ( 8.522 -31.124 0.387) 32.272 3.359 ( 15.919 -21.383 -0.827) 26.671 4.454 ( 2.124 -21.341 0.855) 21.463 9.411 ( 5.360 -6.983 0.973) 8.857 10.130 ( 3.332 -13.451 -1.019) 13.895 10.440 ( 1.556 1.906 -0.691) 2.555 10.608 ( -1.181 -2.444 -0.174) 2.720 11.620 ( -6.942 18.881 -0.778) 20.131 12.253 ( -2.031 3.189 1.091) 3.935======================= Grid point 650 (256/670) =======================q-point: (-0.11 -0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.610 ( 15.027 -28.335 1.193) 32.095 3.392 ( 13.776 -24.859 -0.347) 28.423 4.363 ( 10.281 -17.378 0.604) 20.200 9.431 ( 5.027 -7.871 0.574) 9.357 10.087 ( 6.742 -12.038 -0.764) 13.819 10.461 ( -0.484 -0.046 -0.374) 0.613 10.587 ( 0.797 -0.276 -0.478) 0.969 11.651 ( -10.335 17.700 -0.608) 20.506 12.254 ( -1.983 3.521 0.910) 4.142======================= Grid point 667 (257/670) =======================q-point: (-0.21 -0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.561 ( -0.000 -33.660 -0.388) 33.663 3.038 ( -0.000 -21.805 -1.322) 21.846 4.430 ( 0.000 -26.331 0.923) 26.347 9.308 ( 0.000 -6.228 1.229) 6.348 10.076 ( -0.000 -15.278 -1.012) 15.312 10.411 ( -0.000 3.338 -0.674) 3.406 10.632 ( -0.000 -3.177 -0.115) 3.179 11.742 ( -0.000 20.089 -0.829) 20.106 12.291 ( 0.000 2.671 1.105) 2.890======================= Grid point 668 (258/670) =======================q-point: (-0.16 -0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( 4.942 -33.491 -0.424) 33.857 2.905 ( 10.715 -24.076 -1.209) 26.380 4.171 ( 2.147 -29.699 0.784) 29.787 9.277 ( 3.045 -6.646 1.124) 7.396 9.938 ( 2.135 -15.842 -0.830) 16.007 10.446 ( 0.471 2.969 -0.620) 3.069 10.601 ( -0.570 -1.856 -0.082) 1.943 11.901 ( -4.028 20.020 -0.697) 20.433 12.311 ( -1.074 2.880 0.914) 3.206======================= Grid point 669 (259/670) =======================q-point: (-0.11 -0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( 11.829 -31.092 0.214) 33.267 2.892 ( 15.617 -26.231 -0.739) 30.537 3.977 ( 9.473 -28.239 0.540) 29.790 9.279 ( 4.514 -7.084 0.757) 8.434 9.850 ( 5.582 -14.813 -0.562) 15.840 10.472 ( -0.170 1.809 -0.457) 1.873 10.581 ( -0.328 -0.371 -0.199) 0.533 11.985 ( -8.254 18.748 -0.527) 20.491 12.319 ( -1.644 3.088 0.718) 3.571======================= Grid point 687 (260/670) =======================q-point: (-0.16 -0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -0.000 -33.832 -1.009) 33.848 2.560 ( -0.000 -26.718 -1.404) 26.755 3.831 ( 0.000 -36.109 0.680) 36.116 9.190 ( 0.000 -6.580 1.156) 6.681 9.758 ( -0.000 -16.824 -0.709) 16.839 10.472 ( -0.000 3.230 -0.548) 3.276 10.592 ( -0.000 -0.969 -0.011) 0.969 12.127 ( -0.000 19.717 -0.502) 19.723 12.350 ( 0.000 2.962 0.658) 3.034======================= Grid point 688 (261/670) =======================q-point: (-0.11 -0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( 6.756 -31.977 -0.876) 32.694 2.390 ( 11.423 -28.373 -1.167) 30.608 3.517 ( 6.746 -38.169 0.501) 38.763 9.154 ( 2.687 -6.547 0.929) 7.138 9.621 ( 3.323 -16.262 -0.516) 16.606 10.498 ( -0.327 2.713 -0.438) 2.768 10.584 ( -0.270 -0.026 -0.023) 0.272 12.271 ( -4.437 17.659 -0.153) 18.208 12.374 ( -1.132 3.730 0.270) 3.908======================= Grid point 707 (262/670) =======================q-point: (-0.11 -0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( -0.000 -30.745 -1.552) 30.784 1.996 ( -0.000 -30.738 -1.390) 30.770 3.050 ( 0.000 -44.776 0.477) 44.779 9.072 ( 0.000 -6.119 0.939) 6.190 9.433 ( -0.000 -16.146 -0.492) 16.154 10.527 ( -0.000 2.684 -0.386) 2.712 10.589 ( 0.000 0.485 0.074) 0.491 12.396 ( 0.000 3.423 0.711) 3.496 12.497 ( -0.000 16.496 -0.650) 16.509======================= Grid point 768 (263/670) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.193 ( 0.000 -0.000 11.130) 11.130 0.193 ( 0.000 -0.000 11.130) 11.130 0.275 ( 0.000 -0.000 15.861) 15.861 8.867 ( -0.000 0.000 -0.689) 0.689 8.867 ( -0.000 0.000 -0.689) 0.689 10.609 ( 0.000 -0.000 0.360) 0.360 10.609 ( 0.000 -0.000 0.360) 0.360 12.487 ( -0.000 0.000 -0.729) 0.729 13.067 ( 0.000 -0.000 0.639) 0.639======================= Grid point 769 (264/670) =======================q-point: ( 0.16 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.410 ( 9.409 5.432 9.687) 14.556 0.711 ( 29.119 16.812 2.726) 33.734 1.119 ( 46.678 26.949 2.491) 53.956 8.895 ( 2.475 1.429 -0.599) 2.920 8.934 ( 6.268 3.619 -0.800) 7.282 10.600 ( -0.882 -0.509 0.359) 1.080 10.620 ( -0.069 -0.040 0.001) 0.080 12.472 ( -1.102 -0.636 -0.905) 1.561 12.989 ( -6.243 -3.605 1.258) 7.318======================= Grid point 770 (265/670) =======================q-point: ( 0.21 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( 18.099 10.449 3.079) 21.124 1.366 ( 28.632 16.531 1.261) 33.085 2.141 ( 43.882 25.335 0.980) 50.680 8.970 ( 4.344 2.508 -0.545) 5.045 9.132 ( 11.301 6.525 -0.608) 13.063 10.572 ( -1.700 -0.982 0.358) 1.996 10.612 ( -0.559 -0.323 0.397) 0.758 12.435 ( -1.922 -1.109 -1.120) 2.486 12.798 ( -11.092 -6.404 1.104) 12.856======================= Grid point 771 (266/670) =======================q-point: ( 0.26 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.221 ( 24.707 14.265 -0.527) 28.534 1.984 ( 26.349 15.213 0.781) 30.435 3.063 ( 38.340 22.135 0.141) 44.271 9.080 ( 5.502 3.177 -0.535) 6.376 9.419 ( 14.192 8.194 -0.189) 16.389 10.527 ( -2.430 -1.403 0.363) 2.830 10.604 ( -0.152 -0.088 0.656) 0.680 12.379 ( -3.106 -1.793 -1.344) 3.830 12.511 ( -14.245 -8.224 1.123) 16.487======================= Grid point 772 (267/670) =======================q-point: ( 0.32 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( 28.161 16.259 -2.141) 32.588 2.538 ( 23.000 13.279 0.589) 26.564 3.838 ( 30.932 17.859 -0.464) 35.720 9.207 ( 5.862 3.385 -0.562) 6.792 9.747 ( 14.922 8.615 0.351) 17.234 10.467 ( -2.938 -1.696 0.381) 3.414 10.615 ( 1.157 0.668 0.846) 1.581 12.133 ( -16.994 -9.811 0.772) 19.638 12.339 ( -2.753 -1.590 -1.131) 3.374======================= Grid point 773 (268/670) =======================q-point: ( 0.37 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.443 ( 28.489 16.448 -2.670) 33.004 3.007 ( 18.831 10.872 0.534) 21.751 4.433 ( 22.594 13.045 -0.864) 26.103 9.333 ( 5.509 3.181 -0.608) 6.391 10.072 ( 13.761 7.945 0.930) 15.917 10.401 ( -3.075 -1.775 0.417) 3.575 10.664 ( 3.052 1.762 0.948) 3.649 11.743 ( -17.672 -10.203 0.906) 20.426 12.281 ( -2.240 -1.293 -1.410) 2.946======================= Grid point 774 (269/670) =======================q-point: ( 0.42 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.048 ( 25.988 15.004 -2.521) 30.114 3.377 ( 14.183 8.189 0.547) 16.387 4.844 ( 14.660 8.464 -1.041) 16.960 9.445 ( 4.636 2.677 -0.656) 5.393 10.336 ( -2.771 -1.600 0.466) 3.234 10.352 ( 10.644 6.145 1.567) 12.390 10.754 ( 4.636 2.677 0.942) 5.436 11.370 ( -15.437 -8.912 0.641) 17.836 12.231 ( -1.887 -1.089 -1.471) 2.629======================= Grid point 775 (270/670) =======================q-point: ( 0.47 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.570 ( 21.022 12.137 -1.847) 24.345 3.643 ( 9.529 5.501 0.585) 11.018 5.094 ( 8.344 4.817 -1.003) 9.687 9.534 ( 3.455 1.995 -0.690) 4.049 10.282 ( -2.111 -1.219 0.521) 2.493 10.529 ( 3.771 2.177 2.382) 4.964 10.867 ( 4.941 2.853 0.860) 5.770 11.092 ( -8.512 -4.915 -0.244) 9.832 12.190 ( -1.393 -0.804 -1.386) 2.124======================= Grid point 776 (271/670) =======================q-point: ( 0.53 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.809 ( 5.306 3.063 0.622) 6.158 3.961 ( 14.019 8.094 -0.745) 16.205 5.226 ( 4.068 2.349 -0.815) 4.768 9.595 ( 2.136 1.233 -0.706) 2.565 10.246 ( -1.290 -0.745 0.570) 1.595 10.515 ( -4.413 -2.548 2.375) 5.621 10.968 ( 3.747 2.163 0.726) 4.387 11.014 ( 0.568 0.328 -0.819) 1.050 12.162 ( -0.736 -0.425 -1.147) 1.427======================= Grid point 777 (272/670) =======================q-point: ( 0.58 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.887 ( 1.648 0.951 0.653) 2.011 4.180 ( 5.523 3.188 0.588) 6.404 5.282 ( 1.348 0.778 -0.563) 1.655 9.625 ( 0.770 0.445 -0.713) 1.140 10.228 ( -0.468 -0.270 0.603) 0.809 10.424 ( -3.115 -1.798 1.315) 3.829 11.026 ( 1.049 0.606 0.014) 1.212 11.043 ( 1.318 0.761 -0.154) 1.530 12.152 ( 0.016 0.009 -0.794) 0.794======================= Grid point 778 (273/670) =======================q-point: (-0.37 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.888 ( -1.745 -1.007 0.691) 2.130 4.205 ( -3.711 -2.143 1.812) 4.653 5.287 ( -0.837 -0.483 -0.331) 1.022 9.625 ( -0.611 -0.353 -0.723) 1.010 10.228 ( 0.331 0.191 0.611) 0.721 10.404 ( 1.189 0.686 0.305) 1.407 11.015 ( -1.904 -1.099 -0.504) 2.256 11.053 ( -0.525 -0.303 0.289) 0.672 12.158 ( 0.727 0.420 -0.441) 0.948======================= Grid point 779 (274/670) =======================q-point: (-0.32 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.811 ( -5.383 -3.108 0.753) 6.261 4.027 ( -12.682 -7.322 2.603) 14.874 5.238 ( -3.659 -2.112 -0.183) 4.229 9.594 ( -1.995 -1.152 -0.749) 2.423 10.246 ( 1.157 0.668 0.594) 1.462 10.461 ( 3.033 1.751 -0.400) 3.524 10.944 ( -4.129 -2.384 -0.645) 4.812 11.036 ( -0.167 -0.096 0.488) 0.524 12.180 ( 1.302 0.752 -0.205) 1.517======================= Grid point 780 (275/670) =======================q-point: (-0.26 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.648 ( -9.587 -5.535 0.838) 11.102 3.663 ( -20.355 -11.752 2.847) 23.676 5.110 ( -8.130 -4.694 -0.167) 9.389 9.532 ( -3.342 -1.930 -0.796) 3.941 10.283 ( 1.985 1.146 0.556) 2.359 10.474 ( -3.019 -1.743 -0.409) 3.510 10.836 ( -5.149 -2.973 -0.762) 5.994 11.107 ( 7.455 4.304 0.547) 8.626 12.214 ( 1.727 0.997 -0.123) 1.998======================= Grid point 781 (276/670) =======================q-point: (-0.21 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.150 ( -25.952 -14.984 2.643) 30.083 3.385 ( -14.249 -8.227 0.938) 16.480 4.859 ( -14.685 -8.479 -0.271) 16.959 9.441 ( -4.540 -2.621 -0.858) 5.312 10.323 ( -9.787 -5.650 0.112) 11.301 10.337 ( 2.653 1.532 0.508) 3.105 10.722 ( -4.621 -2.668 -0.729) 5.385 11.365 ( 14.740 8.510 0.349) 17.024 12.256 ( 2.029 1.171 -0.157) 2.348======================= Grid point 782 (277/670) =======================q-point: (-0.16 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.538 ( -29.013 -16.751 2.181) 33.573 3.017 ( -18.938 -10.934 1.046) 21.893 4.442 ( -22.832 -13.182 -0.427) 26.368 9.327 ( -5.406 -3.121 -0.916) 6.309 10.063 ( -13.182 -7.611 0.468) 15.228 10.402 ( 2.962 1.710 0.459) 3.451 10.635 ( -2.858 -1.650 -0.528) 3.342 11.732 ( 17.461 10.081 0.284) 20.164 12.303 ( 2.243 1.295 -0.242) 2.601======================= Grid point 783 (278/670) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( -29.285 -16.907 1.687) 33.857 2.549 ( -23.177 -13.381 1.178) 26.788 3.836 ( -31.306 -18.075 -0.532) 36.153 9.199 ( -5.721 -3.303 -0.948) 6.674 9.753 ( -14.524 -8.385 0.591) 16.781 10.468 ( 2.829 1.633 0.416) 3.293 10.593 ( -0.885 -0.511 -0.276) 1.059 12.124 ( 17.181 9.920 0.252) 19.841 12.354 ( 2.456 1.418 -0.288) 2.851======================= Grid point 788 (279/670) =======================q-point: ( 0.16 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.448 ( 0.000 10.785 10.121) 14.790 0.753 ( 0.000 33.360 4.066) 33.607 1.104 ( 0.000 53.489 1.990) 53.526 8.883 ( -0.000 2.406 -1.013) 2.610 8.941 ( -0.000 7.694 -0.551) 7.713 10.604 ( 0.000 -0.890 0.487) 1.015 10.617 ( -0.000 -0.182 -0.022) 0.183 12.469 ( -0.000 -1.300 -0.986) 1.632 12.992 ( 0.000 -7.232 1.303) 7.349======================= Grid point 789 (280/670) =======================q-point: ( 0.21 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( 7.757 16.116 5.344) 18.667 1.229 ( 15.691 30.671 2.228) 34.524 1.860 ( 26.460 43.659 1.044) 51.062 8.936 ( 2.895 3.450 -0.937) 4.600 9.073 ( 5.294 10.608 -0.469) 11.865 10.585 ( -1.006 -1.296 0.458) 1.703 10.613 ( -0.116 -0.707 0.290) 0.773 12.442 ( -1.012 -1.778 -1.160) 2.352 12.864 ( -5.713 -9.854 1.211) 11.455======================= Grid point 790 (281/670) =======================q-point: ( 0.26 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 15.838 20.232 1.039) 25.715 1.814 ( 19.163 27.226 1.284) 33.318 2.729 ( 31.411 33.226 0.269) 45.724 9.034 ( 4.368 4.480 -0.815) 6.310 9.311 ( 9.834 11.848 -0.196) 15.399 10.549 ( -1.770 -1.629 0.455) 2.448 10.604 ( -0.136 -0.648 0.546) 0.859 12.396 ( -1.841 -2.239 -1.349) 3.197 12.626 ( -10.308 -11.855 1.178) 15.754======================= Grid point 791 (282/670) =======================q-point: ( 0.32 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 21.782 21.989 -1.281) 30.977 2.382 ( 18.081 24.432 0.881) 30.408 3.522 ( 29.562 24.348 -0.363) 38.300 9.158 ( 4.938 5.246 -0.771) 7.246 9.614 ( 12.394 11.631 0.271) 16.999 10.499 ( -2.447 -1.580 0.473) 2.951 10.604 ( 0.639 -0.224 0.732) 0.997 12.275 ( -11.570 -11.207 0.298) 16.111 12.365 ( -4.282 -4.368 -0.619) 6.148======================= Grid point 792 (283/670) =======================q-point: ( 0.37 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( 24.699 21.641 -2.210) 32.913 2.885 ( 15.022 21.610 0.711) 26.327 4.171 ( 24.480 16.383 -0.818) 29.468 9.290 ( 4.700 5.666 -0.776) 7.403 9.937 ( 12.920 10.334 0.806) 16.564 10.441 ( -3.052 -1.126 0.501) 3.291 10.632 ( 2.361 0.497 0.850) 2.558 11.910 ( -15.504 -13.508 1.023) 20.589 12.293 ( -1.949 -2.430 -1.461) 3.440======================= Grid point 793 (284/670) =======================q-point: ( 0.42 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.781 ( 24.606 19.599 -2.303) 31.542 3.299 ( 10.971 18.481 0.656) 21.502 4.650 ( 18.099 9.564 -1.058) 20.498 9.416 ( 3.798 5.801 -0.801) 6.980 10.237 ( 11.529 8.154 1.355) 14.186 10.380 ( -3.364 -0.456 0.546) 3.439 10.700 ( 4.374 1.287 0.868) 4.641 11.527 ( -15.118 -12.499 0.935) 19.638 12.236 ( -1.496 -2.519 -1.565) 3.322======================= Grid point 794 (285/670) =======================q-point: ( 0.47 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.340 ( 21.770 16.208 -1.833) 27.203 3.611 ( 6.626 15.126 0.653) 16.526 4.963 ( 12.019 4.438 -1.077) 12.858 9.522 ( 2.446 5.729 -0.821) 6.284 10.325 ( -3.214 0.221 0.599) 3.277 10.470 ( 7.525 4.687 2.023) 9.093 10.802 ( 5.569 1.638 0.797) 5.859 11.192 ( -11.414 -9.522 0.367) 14.869 12.187 ( -0.873 -2.613 -1.528) 3.151======================= Grid point 795 (286/670) =======================q-point: ( 0.53 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.796 ( 16.337 11.757 -0.984) 20.152 3.819 ( 2.771 11.909 0.718) 12.248 5.145 ( 7.243 1.181 -0.927) 7.397 9.602 ( 0.861 5.501 -0.827) 5.629 10.282 ( -2.683 0.854 0.653) 2.891 10.550 ( -1.284 -1.661 2.650) 3.381 10.911 ( 5.245 1.243 0.684) 5.433 11.009 ( -2.086 -3.127 -0.644) 3.813 12.150 ( -0.057 -2.577 -1.351) 2.910======================= Grid point 796 (287/670) =======================q-point: ( 0.58 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.934 ( -0.930 9.126 0.661) 9.197 4.103 ( 9.326 6.678 0.260) 11.473 5.236 ( 3.924 -0.686 -0.698) 4.044 9.651 ( -0.796 5.097 -0.819) 5.224 10.256 ( -1.950 1.388 0.692) 2.492 10.462 ( -4.204 -3.984 1.911) 6.099 10.994 ( 3.309 0.065 0.195) 3.316 11.013 ( 2.338 -0.164 -0.345) 2.369 12.129 ( 0.874 -2.355 -1.051) 2.723======================= Grid point 797 (288/670) =======================q-point: (-0.37 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.971 ( -4.113 7.027 0.695) 8.171 4.230 ( 0.716 1.286 1.407) 2.036 5.266 ( 1.548 -1.993 -0.477) 2.568 9.668 ( -2.410 4.422 -0.808) 5.100 10.248 ( -1.174 1.858 0.708) 2.310 10.393 ( -0.470 -1.925 0.924) 2.186 11.013 ( 0.270 -1.772 -0.580) 1.884 11.043 ( 1.127 -0.812 0.371) 1.437 12.128 ( 1.750 -1.963 -0.714) 2.725======================= Grid point 798 (289/670) =======================q-point: (-0.32 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.936 ( -7.529 5.330 0.745) 9.254 4.157 ( -8.459 -3.829 2.212) 9.545 5.246 ( -0.801 -3.470 -0.326) 3.576 9.651 ( -3.862 3.416 -0.814) 5.219 10.256 ( -0.390 2.305 0.704) 2.441 10.416 ( 3.407 0.359 0.184) 3.431 10.969 ( -2.304 -3.247 -0.634) 4.032 11.035 ( -0.354 -1.647 0.418) 1.736 12.145 ( 2.406 -1.465 -0.457) 2.854======================= Grid point 799 (290/670) =======================q-point: (-0.26 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.822 ( -11.714 3.305 0.829) 12.199 3.891 ( -17.046 -7.760 2.481) 18.893 5.163 ( -4.235 -5.520 -0.290) 6.964 9.601 ( -5.099 2.203 -0.847) 5.619 10.283 ( 0.441 2.674 0.677) 2.793 10.476 ( 1.699 -0.099 -0.120) 1.706 10.877 ( -3.999 -4.086 -0.661) 5.756 11.038 ( 3.332 0.083 0.542) 3.376 12.176 ( 2.797 -0.916 -0.343) 2.963======================= Grid point 800 (291/670) =======================q-point: (-0.21 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.453 ( -24.169 -11.138 2.274) 26.709 3.619 ( -16.550 1.764 0.928) 16.669 4.983 ( -9.709 -8.150 -0.370) 12.682 9.520 ( -6.136 0.975 -0.896) 6.277 10.326 ( 1.265 2.822 0.633) 3.157 10.418 ( -6.521 -3.665 0.182) 7.482 10.763 ( -4.331 -3.997 -0.653) 5.929 11.197 ( 12.643 4.416 0.483) 13.400 12.218 ( 2.970 -0.367 -0.352) 3.013======================= Grid point 801 (292/670) =======================q-point: (-0.16 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.893 ( -29.173 -12.515 1.800) 31.795 3.309 ( -21.571 -0.451 0.997) 21.599 4.665 ( -17.483 -10.939 -0.502) 20.629 9.412 ( -6.905 -0.083 -0.940) 6.969 10.213 ( -11.930 -5.623 0.523) 13.199 10.381 ( 1.944 2.584 0.574) 3.284 10.663 ( -3.194 -2.971 -0.486) 4.389 11.515 ( 17.895 6.513 0.422) 19.048 12.265 ( 3.002 0.121 -0.427) 3.034======================= Grid point 802 (293/670) =======================q-point: (-0.11 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( -31.553 -12.182 1.233) 33.845 2.896 ( -26.303 -2.637 1.074) 26.456 4.177 ( -26.822 -13.037 -0.584) 29.829 9.285 ( -7.255 -0.779 -0.958) 7.359 9.932 ( -14.741 -6.011 0.633) 15.932 10.441 ( 2.375 1.918 0.509) 3.095 10.602 ( -1.365 -1.478 -0.224) 2.024 11.896 ( 19.394 6.554 0.417) 20.475 12.317 ( 2.980 0.482 -0.499) 3.060======================= Grid point 808 (294/670) =======================q-point: ( 0.21 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.794 ( 0.000 20.939 4.259) 21.368 1.415 ( 0.000 32.839 2.482) 32.933 2.122 ( 0.000 50.490 0.525) 50.492 8.946 ( -0.000 4.602 -1.170) 4.748 9.147 ( -0.000 13.453 -0.224) 13.454 10.580 ( 0.000 -1.811 0.561) 1.896 10.607 ( 0.000 -0.811 0.296) 0.864 12.428 ( -0.000 -2.295 -1.258) 2.617 12.805 ( 0.000 -12.786 1.230) 12.845======================= Grid point 809 (295/670) =======================q-point: ( 0.26 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 6.898 25.153 1.587) 26.130 1.842 ( 11.966 30.870 1.757) 33.154 2.716 ( 14.124 43.400 0.071) 45.640 9.017 ( 2.870 5.387 -1.104) 6.203 9.322 ( 4.375 14.952 -0.005) 15.579 10.555 ( -0.880 -2.098 0.554) 2.341 10.600 ( -0.041 -0.774 0.474) 0.909 12.391 ( -0.986 -2.775 -1.382) 3.253 12.630 ( -5.176 -14.789 1.206) 15.715======================= Grid point 810 (296/670) =======================q-point: ( 0.32 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.511 ( 13.430 27.196 -0.593) 30.337 2.373 ( 15.377 28.849 1.166) 32.712 3.374 ( 19.479 32.640 -0.397) 38.013 9.132 ( 4.459 6.144 -0.991) 7.656 9.571 ( 7.837 14.713 0.336) 16.674 10.517 ( -1.432 -1.828 0.576) 2.393 10.595 ( 0.176 -0.582 0.622) 0.869 12.311 ( -5.466 -9.469 -0.409) 10.942 12.385 ( -5.574 -9.586 0.103) 11.090======================= Grid point 811 (297/670) =======================q-point: ( 0.37 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( 18.199 26.759 -1.747) 32.408 2.894 ( 13.752 27.110 0.839) 30.410 3.969 ( 19.929 21.731 -0.797) 29.496 9.272 ( 4.783 6.930 -0.928) 8.471 9.858 ( 9.865 13.021 0.778) 16.354 10.477 ( -2.024 -0.853 0.606) 2.278 10.603 ( 1.290 -0.322 0.727) 1.516 12.002 ( -12.184 -16.353 1.102) 20.422 12.294 ( -1.919 -3.178 -1.504) 4.006======================= Grid point 812 (298/670) =======================q-point: ( 0.42 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.607 ( 20.417 24.344 -2.067) 31.840 3.347 ( 9.798 24.872 0.667) 26.741 4.445 ( 17.505 12.230 -1.031) 21.379 9.415 ( 4.101 7.653 -0.907) 8.730 10.145 ( 10.206 10.348 1.254) 14.588 10.436 ( -2.873 0.385 0.636) 2.967 10.642 ( 3.386 0.101 0.762) 3.472 11.633 ( -13.305 -15.526 1.101) 20.477 12.228 ( -1.628 -3.396 -1.623) 4.101======================= Grid point 813 (299/670) =======================q-point: ( 0.47 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.160 ( 19.930 20.496 -1.797) 28.645 3.699 ( 5.126 21.661 0.566) 22.267 4.786 ( 13.746 5.316 -1.048) 14.775 9.547 ( 2.701 8.238 -0.899) 8.716 10.386 ( 2.287 3.808 1.180) 4.596 10.399 ( 2.732 4.366 1.285) 5.308 10.721 ( 5.325 0.492 0.704) 5.394 11.281 ( -11.886 -13.093 0.757) 17.699 12.166 ( -1.049 -3.789 -1.603) 4.246======================= Grid point 814 (300/670) =======================q-point: ( 0.53 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.643 ( 16.885 15.670 -1.108) 23.062 3.940 ( 0.913 17.685 0.504) 17.715 5.010 ( 9.730 1.401 -0.883) 9.870 9.657 ( 0.861 8.624 -0.881) 8.711 10.351 ( -3.513 2.054 0.719) 4.132 10.541 ( 2.587 0.914 2.538) 3.738 10.825 ( 6.003 0.368 0.576) 6.042 11.022 ( -5.677 -7.663 -0.195) 9.539 12.113 ( -0.137 -4.077 -1.459) 4.333======================= Grid point 815 (301/670) =======================q-point: ( 0.58 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.007 ( 11.435 10.298 -0.206) 15.390 4.081 ( -2.116 13.843 0.538) 14.014 5.143 ( 6.031 -0.361 -0.642) 6.075 9.736 ( -1.188 8.727 -0.844) 8.848 10.320 ( -3.060 2.518 0.745) 4.032 10.496 ( -4.341 -5.003 2.364) 7.033 10.921 ( 5.017 -0.565 0.128) 5.051 10.964 ( 2.331 -1.503 -0.328) 2.793 12.077 ( 1.017 -4.106 -1.204) 4.398======================= Grid point 816 (302/670) =======================q-point: ( 0.63 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.141 ( -4.531 10.988 0.375) 11.891 4.219 ( 4.251 4.909 0.977) 6.567 5.206 ( 2.930 -1.475 -0.429) 3.309 9.779 ( -3.323 8.381 -0.789) 9.051 10.303 ( -2.287 2.793 0.731) 3.683 10.391 ( -2.409 -4.041 1.415) 4.913 10.969 ( 2.412 -2.318 -0.690) 3.416 11.003 ( 2.648 -1.204 0.504) 2.952 12.063 ( 2.216 -3.815 -0.895) 4.502======================= Grid point 817 (303/670) =======================q-point: (-0.32 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.143 ( -7.240 9.507 0.468) 11.959 4.247 ( -4.073 -0.176 1.676) 4.408 5.211 ( 0.394 -3.050 -0.301) 3.090 9.780 ( -5.348 7.339 -0.749) 9.112 10.303 ( -1.380 3.249 0.682) 3.595 10.363 ( 1.988 -1.499 0.722) 2.592 10.954 ( -0.273 -3.806 -0.725) 3.885 11.015 ( 0.707 -2.376 0.500) 2.529 12.072 ( 3.205 -3.243 -0.638) 4.604======================= Grid point 818 (304/670) =======================q-point: (-0.26 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.069 ( -11.866 1.681 1.106) 12.036 4.102 ( -11.869 2.734 1.369) 12.257 5.157 ( -2.122 -5.329 -0.286) 5.743 9.739 ( -6.868 5.731 -0.764) 8.977 10.321 ( -0.830 3.836 0.725) 3.991 10.420 ( 4.547 -0.032 0.323) 4.559 10.886 ( -2.472 -4.828 -0.642) 5.462 10.997 ( 0.716 -2.458 0.471) 2.603 12.102 ( 3.821 -2.479 -0.508) 4.583======================= Grid point 819 (305/670) =======================q-point: (-0.21 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.746 ( -20.704 -7.345 1.635) 22.029 3.949 ( -15.980 8.014 0.691) 17.890 5.030 ( -5.667 -7.733 -0.384) 9.595 9.659 ( -7.872 3.958 -0.807) 8.848 10.353 ( -0.205 3.987 0.728) 4.059 10.459 ( -0.934 -1.626 0.396) 1.917 10.784 ( -3.530 -4.997 -0.560) 6.143 11.046 ( 7.842 0.354 0.469) 7.864 12.147 ( 4.057 -1.626 -0.507) 4.400======================= Grid point 820 (306/670) =======================q-point: (-0.16 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.269 ( -27.101 -8.484 1.089) 28.419 3.707 ( -21.492 6.135 0.738) 22.363 4.806 ( -11.373 -9.239 -0.534) 14.662 9.550 ( -8.488 2.300 -0.834) 8.833 10.346 ( -8.788 -3.682 0.655) 9.550 10.393 ( 0.361 3.557 0.688) 3.641 10.680 ( -3.109 -4.128 -0.412) 5.184 11.274 ( 16.185 3.127 0.469) 16.491 12.202 ( 3.996 -0.813 -0.584) 4.120======================= Grid point 821 (307/670) =======================q-point: (-0.11 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.700 ( -31.267 -7.763 0.394) 32.219 3.352 ( -26.583 3.274 0.759) 26.795 4.460 ( -19.553 -8.889 -0.622) 21.488 9.419 ( -8.691 1.018 -0.822) 8.789 10.123 ( -13.228 -3.779 0.715) 13.775 10.435 ( 0.918 2.352 0.597) 2.594 10.608 ( -1.576 -2.343 -0.127) 2.826 11.615 ( 19.813 3.461 0.517) 20.120 12.260 ( 3.757 -0.188 -0.678) 3.822======================= Grid point 828 (308/670) =======================q-point: ( 0.26 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( 0.000 28.882 0.678) 28.890 2.038 ( 0.000 30.258 1.702) 30.305 3.041 ( -0.000 44.177 -0.216) 44.177 9.044 ( -0.000 6.044 -1.154) 6.153 9.442 ( 0.000 16.654 0.192) 16.656 10.541 ( 0.000 -2.623 0.582) 2.686 10.595 ( 0.000 -0.449 0.531) 0.696 12.366 ( -0.000 -3.582 -1.376) 3.837 12.523 ( 0.000 -16.471 1.133) 16.510======================= Grid point 829 (309/670) =======================q-point: ( 0.32 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 5.781 31.000 -0.655) 31.541 2.424 ( 10.863 28.117 1.289) 30.170 3.503 ( 6.782 37.638 -0.526) 38.248 9.126 ( 2.940 6.477 -1.064) 7.193 9.634 ( 3.284 16.789 0.448) 17.112 10.512 ( -0.362 -2.615 0.592) 2.705 10.594 ( -0.165 -0.001 0.636) 0.657 12.278 ( -3.614 -14.123 0.345) 14.582 12.361 ( -1.987 -7.358 -0.673) 7.651======================= Grid point 830 (310/670) =======================q-point: ( 0.37 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( 10.757 30.862 -1.629) 32.724 2.914 ( 15.041 26.114 0.901) 30.149 3.959 ( 9.487 27.836 -0.818) 29.420 9.255 ( 4.817 7.008 -0.965) 8.559 9.868 ( 5.638 15.352 0.793) 16.373 10.487 ( -0.258 -1.669 0.633) 1.804 10.594 ( -0.139 0.270 0.699) 0.762 12.007 ( -8.226 -18.549 1.171) 20.325 12.289 ( -1.722 -3.358 -1.572) 4.089======================= Grid point 831 (311/670) =======================q-point: ( 0.42 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.566 ( 14.282 28.532 -2.020) 31.971 3.405 ( 13.347 24.706 0.629) 28.087 4.341 ( 10.322 17.209 -0.998) 20.092 9.410 ( 5.275 7.818 -0.909) 9.475 10.114 ( 6.955 12.600 1.201) 14.442 10.475 ( -0.697 0.178 0.679) 0.989 10.603 ( 1.088 0.124 0.707) 1.303 11.675 ( -10.463 -17.770 1.168) 20.655 12.220 ( -1.974 -3.583 -1.655) 4.413======================= Grid point 832 (312/670) =======================q-point: ( 0.47 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.072 ( 15.755 24.527 -1.881) 29.212 3.819 ( 7.951 22.809 0.406) 24.159 4.634 ( 10.589 8.279 -0.965) 13.476 9.571 ( 4.423 8.844 -0.885) 9.928 10.340 ( 6.900 8.776 1.660) 11.286 10.463 ( -2.304 1.953 0.735) 3.108 10.645 ( 3.790 -0.087 0.631) 3.843 11.335 ( -10.726 -15.526 0.921) 18.893 12.146 ( -1.769 -4.118 -1.621) 4.766======================= Grid point 833 (313/670) =======================q-point: ( 0.53 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.540 ( 14.918 19.438 -1.338) 24.539 4.103 ( 1.857 18.725 0.167) 18.817 4.860 ( 10.051 3.659 -0.694) 10.719 9.719 ( 2.594 9.854 -0.857) 10.226 10.436 ( -3.371 2.688 0.802) 4.386 10.508 ( 4.164 3.423 2.286) 5.855 10.727 ( 5.677 -0.132 0.486) 5.700 11.045 ( -7.737 -11.151 0.173) 13.573 12.075 ( -1.018 -4.625 -1.482) 4.962======================= Grid point 834 (314/670) =======================q-point: ( 0.58 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.925 ( 11.789 13.808 -0.539) 18.164 4.253 ( -1.842 13.106 0.002) 13.234 5.038 ( 7.403 2.984 -0.354) 7.990 9.839 ( 0.199 10.556 -0.791) 10.587 10.405 ( -3.626 2.752 0.809) 4.623 10.522 ( -3.118 -4.177 2.626) 5.836 10.823 ( 5.705 -0.796 0.096) 5.761 10.911 ( 0.675 -3.593 -0.406) 3.678 12.018 ( 0.206 -4.869 -1.246) 5.030======================= Grid point 835 (315/670) =======================q-point: ( 0.63 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.186 ( 6.513 8.146 0.295) 10.434 4.313 ( -3.056 8.890 0.007) 9.401 5.157 ( 3.291 2.915 -0.122) 4.398 9.922 ( -2.451 10.709 -0.665) 11.006 10.367 ( -3.219 -0.606 0.945) 3.409 10.415 ( -3.946 -1.721 1.476) 4.551 10.889 ( 3.943 -2.335 -0.638) 4.626 10.936 ( 3.577 -1.818 0.444) 4.037 11.984 ( 1.695 -4.711 -0.961) 5.098======================= Grid point 836 (316/670) =======================q-point: (-0.32 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.292 ( -0.806 3.402 0.763) 3.579 4.335 ( -3.414 6.796 0.257) 7.610 5.200 ( -0.683 1.476 -0.022) 1.627 9.956 ( -5.380 9.979 -0.519) 11.349 10.310 ( 0.060 -3.114 0.614) 3.175 10.385 ( -2.410 3.374 0.957) 4.255 10.904 ( 1.544 -3.793 -0.737) 4.160 10.966 ( 2.266 -2.974 0.563) 3.781 11.979 ( 3.137 -4.147 -0.714) 5.248======================= Grid point 837 (317/670) =======================q-point: (-0.26 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.233 ( -8.217 -0.979 1.133) 8.353 4.325 ( -6.010 7.353 0.192) 9.498 5.162 ( -3.685 -1.585 -0.039) 4.011 9.929 ( -7.910 8.009 -0.516) 11.268 10.331 ( 4.216 -0.754 0.288) 4.293 10.391 ( -1.394 3.944 0.976) 4.296 10.865 ( -0.880 -4.892 -0.633) 5.011 10.959 ( 0.814 -3.582 0.450) 3.700 12.004 ( 4.222 -3.270 -0.586) 5.373======================= Grid point 838 (318/670) =======================q-point: (-0.21 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.005 ( -16.205 -3.922 0.949) 16.700 4.267 ( -10.689 8.543 0.208) 13.685 5.050 ( -5.610 -5.273 -0.182) 7.702 9.849 ( -9.246 5.624 -0.614) 10.839 10.401 ( 1.152 2.900 0.424) 3.149 10.425 ( 2.259 1.246 1.038) 2.781 10.783 ( -2.540 -5.264 -0.483) 5.864 10.950 ( 2.783 -2.481 0.319) 3.742 12.052 ( 4.801 -2.219 -0.591) 5.322======================= Grid point 839 (319/670) =======================q-point: (-0.16 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.631 ( -23.308 -4.845 0.339) 23.809 4.114 ( -17.623 7.685 0.306) 19.228 4.878 ( -7.592 -7.016 -0.417) 10.346 9.730 ( -9.825 3.319 -0.663) 10.391 10.426 ( -2.822 -1.147 0.837) 3.159 10.439 ( -1.223 3.508 0.885) 3.819 10.686 ( -2.863 -4.555 -0.304) 5.389 11.054 ( 11.499 0.219 0.306) 11.505 12.115 ( 4.881 -1.176 -0.685) 5.067======================= Grid point 840 (320/670) =======================q-point: (-0.11 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.149 ( -28.761 -3.864 -0.445) 29.023 3.820 ( -24.137 3.738 0.362) 24.427 4.656 ( -12.255 -4.756 -0.597) 13.159 9.585 ( -9.835 1.448 -0.642) 9.961 10.296 ( -9.979 -1.670 0.967) 10.164 10.458 ( -0.696 2.130 0.602) 2.320 10.612 ( -1.752 -2.221 0.043) 2.829 11.317 ( 18.021 1.026 0.475) 18.056 12.186 ( 4.571 -0.357 -0.808) 4.655======================= Grid point 848 (321/670) =======================q-point: ( 0.32 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( -0.000 33.070 -1.274) 33.094 2.595 ( 0.000 26.419 1.155) 26.444 3.812 ( -0.000 35.678 -0.694) 35.685 9.161 ( -0.000 6.587 -0.996) 6.661 9.776 ( 0.000 17.318 0.608) 17.329 10.487 ( 0.000 -3.170 0.551) 3.218 10.602 ( 0.000 0.968 0.738) 1.217 12.148 ( 0.000 -19.107 1.102) 19.138 12.322 ( -0.000 -3.660 -1.481) 3.948======================= Grid point 849 (322/670) =======================q-point: ( 0.37 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( 4.480 33.179 -1.910) 33.535 2.933 ( 10.365 23.868 0.863) 26.036 4.149 ( 2.146 29.375 -0.867) 29.466 9.249 ( 3.177 6.668 -0.880) 7.438 9.961 ( 2.186 16.351 0.851) 16.518 10.462 ( 0.510 -2.907 0.540) 3.001 10.614 ( -0.560 1.820 0.814) 2.071 11.926 ( -4.030 -19.928 1.200) 20.367 12.277 ( -1.089 -3.071 -1.638) 3.647======================= Grid point 850 (323/670) =======================q-point: ( 0.42 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.664 ( 8.035 31.212 -2.231) 32.307 3.377 ( 15.496 21.195 0.560) 26.261 4.429 ( 2.167 21.202 -0.962) 21.334 9.387 ( 5.512 7.013 -0.786) 8.955 10.160 ( 3.497 14.018 1.176) 14.496 10.457 ( 1.591 -1.853 0.541) 2.502 10.622 ( -1.163 2.351 0.841) 2.754 11.646 ( -7.013 -19.013 1.136) 20.298 12.216 ( -2.017 -3.239 -1.653) 4.159======================= Grid point 851 (324/670) =======================q-point: ( 0.47 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.099 ( 10.427 27.422 -2.142) 29.416 3.832 ( 14.665 18.675 0.269) 23.747 4.627 ( 2.294 13.189 -0.881) 13.416 9.558 ( 6.412 7.806 -0.740) 10.129 10.347 ( 3.946 10.386 1.591) 11.224 10.481 ( 2.028 -0.297 0.552) 2.123 10.628 ( -0.832 2.283 0.789) 2.555 11.343 ( -8.506 -16.699 0.886) 18.762 12.139 ( -2.504 -3.721 -1.586) 4.758======================= Grid point 852 (325/670) =======================q-point: ( 0.53 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.518 ( 11.232 22.351 -1.686) 25.071 4.193 ( 8.057 14.769 -0.127) 16.824 4.780 ( 4.930 8.255 -0.497) 9.628 9.740 ( 5.700 8.981 -0.724) 10.662 10.488 ( 2.451 4.726 2.106) 5.725 10.507 ( 0.108 1.768 0.737) 1.918 10.656 ( 2.301 1.300 0.564) 2.702 11.061 ( -7.786 -12.527 0.239) 14.752 12.055 ( -2.302 -4.271 -1.428) 5.057======================= Grid point 853 (326/670) =======================q-point: ( 0.58 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.885 ( 10.152 16.627 -0.979) 19.506 4.369 ( 0.632 7.859 -0.502) 7.901 4.967 ( 7.270 8.573 0.010) 11.240 9.910 ( 3.543 10.151 -0.679) 10.773 10.488 ( -3.117 1.115 1.168) 3.511 10.535 ( -1.127 -1.827 2.354) 3.186 10.727 ( 4.679 0.078 0.158) 4.683 10.880 ( -2.453 -5.147 -0.572) 5.731 11.977 ( -1.350 -4.620 -1.187) 4.957======================= Grid point 854 (327/670) =======================q-point: ( 0.63 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.162 ( 7.097 10.855 -0.204) 12.970 4.404 ( -1.243 2.852 -0.522) 3.154 5.155 ( 4.186 9.033 0.218) 9.958 10.044 ( 0.516 10.536 -0.477) 10.560 10.407 ( -4.538 -4.697 1.569) 6.717 10.487 ( -3.291 1.733 0.932) 3.834 10.798 ( 4.246 -1.458 -0.473) 4.514 10.861 ( 2.674 -2.262 0.175) 3.507 11.919 ( 0.187 -4.561 -0.908) 4.654======================= Grid point 855 (328/670) =======================q-point: ( 0.68 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.321 ( 2.143 5.588 0.384) 5.997 4.404 ( -0.486 1.167 -0.390) 1.323 5.265 ( -1.029 7.523 0.260) 7.597 10.124 ( -2.408 9.295 0.095) 9.602 10.303 ( -3.232 -2.645 0.317) 4.188 10.463 ( -2.683 3.055 0.766) 4.137 10.832 ( 2.592 -2.959 -0.645) 3.987 10.887 ( 3.274 -3.706 0.556) 4.976 11.893 ( 1.973 -4.034 -0.669) 4.541======================= Grid point 856 (329/670) =======================q-point: (-0.26 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.340 ( -4.136 1.436 0.572) 4.416 4.414 ( 0.004 1.601 -0.282) 1.626 5.264 ( -6.042 4.404 0.242) 7.481 10.136 ( -6.314 7.381 0.411) 9.722 10.267 ( 1.134 -0.296 -0.324) 1.216 10.460 ( -1.786 3.530 0.784) 4.033 10.822 ( 0.424 -3.976 -0.519) 4.032 10.896 ( 2.355 -4.379 0.436) 4.992 11.904 ( 3.603 -3.123 -0.549) 4.800======================= Grid point 857 (330/670) =======================q-point: (-0.21 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.213 ( -11.252 -1.244 0.373) 11.327 4.427 ( -1.550 3.168 -0.324) 3.541 5.153 ( -9.664 0.344 0.170) 9.671 10.062 ( -9.432 5.237 -0.257) 10.791 10.326 ( 5.193 0.294 0.534) 5.229 10.474 ( -1.068 3.632 0.804) 3.870 10.770 ( -1.665 -4.192 -0.339) 4.523 10.890 ( 1.662 -3.406 0.189) 3.795 11.948 ( 4.750 -1.980 -0.570) 5.178======================= Grid point 858 (331/670) =======================q-point: (-0.16 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.948 ( -18.282 -2.055 -0.239) 18.399 4.393 ( -7.707 3.733 -0.299) 8.568 4.969 ( -10.187 -2.515 -0.023) 10.493 9.930 ( -10.513 2.559 -0.484) 10.831 10.415 ( 3.627 0.034 1.283) 3.848 10.492 ( -0.921 2.534 0.718) 2.790 10.694 ( -2.788 -2.925 -0.055) 4.041 10.912 ( 4.885 -1.335 -0.083) 5.064 12.017 ( 5.256 -0.819 -0.695) 5.365======================= Grid point 859 (332/670) =======================q-point: (-0.11 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.572 ( -24.378 -0.948 -1.044) 24.419 4.198 ( -17.887 -0.301 -0.112) 17.890 4.798 ( -8.581 0.110 -0.379) 8.590 9.764 ( -10.502 0.312 -0.489) 10.518 10.416 ( -4.292 0.079 1.487) 4.543 10.486 ( -1.130 -0.752 0.386) 1.411 10.637 ( -2.453 0.821 0.402) 2.618 11.055 ( 13.055 -0.259 0.090) 13.058 12.100 ( 5.133 0.084 -0.860) 5.205======================= Grid point 868 (333/670) =======================q-point: ( 0.37 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.534 ( -0.000 33.513 -2.319) 33.593 3.066 ( 0.000 21.618 0.720) 21.630 4.405 ( -0.000 26.088 -0.937) 26.105 9.282 ( -0.000 6.288 -0.743) 6.332 10.104 ( 0.000 15.818 0.996) 15.850 10.427 ( 0.000 -3.291 0.466) 3.324 10.646 ( 0.000 3.116 0.912) 3.247 11.768 ( 0.000 -20.156 1.148) 20.188 12.254 ( -0.000 -2.765 -1.651) 3.220======================= Grid point 869 (334/670) =======================q-point: ( 0.42 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.873 ( 3.182 31.891 -2.562) 32.152 3.349 ( 9.867 18.694 0.487) 21.144 4.625 ( -0.652 20.488 -0.958) 20.521 9.369 ( 3.576 6.088 -0.611) 7.087 10.262 ( 1.188 13.898 1.239) 14.004 10.408 ( 1.329 -2.865 0.414) 3.186 10.675 ( -0.978 4.000 0.957) 4.227 11.551 ( -3.378 -19.045 0.993) 19.368 12.212 ( -1.368 -2.721 -1.603) 3.442======================= Grid point 870 (335/670) =======================q-point: ( 0.47 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.232 ( 5.515 28.476 -2.493) 29.112 3.732 ( 15.258 15.267 0.217) 21.585 4.768 ( -2.021 14.632 -0.851) 14.795 9.513 ( 6.490 6.282 -0.520) 9.047 10.409 ( 1.574 9.832 1.510) 10.071 10.422 ( 2.929 -1.307 0.451) 3.239 10.693 ( -2.036 4.388 0.944) 4.928 11.303 ( -5.676 -16.419 0.663) 17.385 12.147 ( -2.612 -2.972 -1.489) 4.228======================= Grid point 871 (336/670) =======================q-point: ( 0.53 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.584 ( 6.995 23.658 -2.093) 24.759 4.118 ( 14.329 10.875 -0.119) 17.989 4.852 ( -1.455 10.719 -0.528) 10.830 9.699 ( 7.994 6.961 -0.486) 10.611 10.465 ( 3.897 -1.275 0.296) 4.111 10.515 ( 0.845 5.024 2.189) 5.545 10.699 ( -2.464 4.283 0.834) 5.011 11.063 ( -6.360 -11.588 0.003) 13.218 12.062 ( -3.272 -3.374 -1.297) 4.875======================= Grid point 872 (337/670) =======================q-point: ( 0.58 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.903 ( 7.328 18.031 -1.440) 19.517 4.369 ( 6.046 4.313 -0.532) 7.446 4.968 ( 3.918 10.823 -0.002) 11.511 9.903 ( 7.625 7.990 -0.488) 11.056 10.514 ( 1.685 -1.041 0.875) 2.165 10.527 ( -0.796 -2.986 2.153) 3.766 10.708 ( -0.856 3.413 0.523) 3.557 10.892 ( -4.378 -3.873 -0.732) 5.891 11.970 ( -3.027 -3.675 -1.036) 4.873======================= Grid point 873 (338/670) =======================q-point: ( 0.63 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.161 ( 6.199 12.255 -0.694) 13.751 4.422 ( -0.086 -0.377 -0.596) 0.711 5.170 ( 6.117 10.930 0.233) 12.528 10.091 ( 4.925 8.452 -0.396) 9.790 10.430 ( -3.292 -5.925 1.981) 7.062 10.536 ( -0.251 0.214 0.371) 0.496 10.739 ( 1.576 1.190 -0.001) 1.975 10.829 ( -1.337 -0.955 -0.315) 1.673 11.890 ( -1.853 -3.630 -0.747) 4.144======================= Grid point 874 (339/670) =======================q-point: ( 0.68 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.335 ( 3.433 6.965 -0.063) 7.765 4.401 ( -0.330 -1.632 -0.467) 1.729 5.343 ( 2.221 8.930 0.246) 9.206 10.193 ( -0.042 2.378 0.515) 2.434 10.367 ( -1.835 3.161 0.129) 3.657 10.526 ( -1.564 1.261 0.368) 2.042 10.771 ( 1.697 -0.961 -0.331) 1.978 10.806 ( 1.291 -3.724 0.319) 3.954 11.839 ( -0.036 -3.124 -0.506) 3.164======================= Grid point 875 (340/670) =======================q-point: (-0.26 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.391 ( 0.941 -0.710 -0.390) 1.242 4.406 ( -0.532 2.350 0.228) 2.420 5.405 ( -3.576 5.774 0.226) 6.796 10.182 ( 0.205 -1.915 0.962) 2.153 10.380 ( -5.527 8.921 -0.815) 10.526 10.516 ( -1.459 1.909 0.378) 2.432 10.773 ( 1.706 -3.315 -0.016) 3.728 10.804 ( 2.672 -4.305 0.171) 5.069 11.828 ( 1.970 -2.208 -0.387) 2.984======================= Grid point 876 (341/670) =======================q-point: (-0.21 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.357 ( -6.363 0.160 0.001) 6.365 4.421 ( 2.340 -0.020 -0.362) 2.368 5.336 ( -9.083 2.172 0.205) 9.341 10.184 ( 0.296 -0.707 0.720) 1.051 10.336 ( -6.265 4.825 -0.389) 7.917 10.516 ( -0.736 1.385 0.462) 1.635 10.760 ( -0.606 -1.730 -0.052) 1.834 10.817 ( 3.332 -3.158 0.078) 4.591 11.859 ( 3.709 -1.037 -0.420) 3.874======================= Grid point 877 (342/670) =======================q-point: (-0.16 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.194 ( -12.574 -0.605 -0.501) 12.598 4.453 ( 0.655 0.083 -0.530) 0.847 5.160 ( -12.419 -0.146 0.168) 12.421 10.110 ( -8.811 -0.131 -0.309) 8.818 10.344 ( 4.068 0.551 1.298) 4.305 10.513 ( -0.459 -0.741 0.350) 0.940 10.728 ( -2.286 0.687 0.318) 2.408 10.848 ( 2.423 -0.419 -0.335) 2.481 11.926 ( 4.834 0.158 -0.576) 4.870======================= Grid point 878 (343/670) =======================q-point: (-0.11 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.928 ( -18.572 0.538 -1.250) 18.622 4.388 ( -7.860 -3.923 -0.503) 8.799 4.968 ( -10.129 2.457 -0.058) 10.423 9.931 ( -10.369 -2.117 -0.394) 10.591 10.430 ( 3.486 0.385 1.909) 3.993 10.481 ( -0.852 -3.498 0.314) 3.614 10.709 ( -2.751 3.842 0.705) 4.778 10.903 ( 5.018 0.686 -0.583) 5.098 12.015 ( 5.166 1.057 -0.793) 5.332======================= Grid point 888 (344/670) =======================q-point: ( 0.42 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.144 ( -0.000 30.588 -2.788) 30.715 3.435 ( 0.000 16.259 0.355) 16.263 4.813 ( -0.000 16.948 -0.927) 16.974 9.391 ( -0.000 5.348 -0.440) 5.366 10.368 ( 0.000 -2.925 0.318) 2.943 10.385 ( 0.000 12.206 1.424) 12.289 10.731 ( 0.000 4.953 1.006) 5.055 11.403 ( 0.000 -17.634 0.721) 17.648 12.196 ( -0.000 -2.349 -1.495) 2.784======================= Grid point 889 (345/670) =======================q-point: ( 0.47 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.436 ( 2.018 27.515 -2.757) 27.727 3.659 ( 9.179 13.206 0.164) 16.084 4.937 ( -2.009 12.666 -0.807) 12.849 9.474 ( 4.091 4.956 -0.303) 6.434 10.358 ( 1.860 -2.419 0.225) 3.059 10.496 ( 0.283 8.774 1.756) 8.952 10.772 ( -1.314 5.220 0.987) 5.473 11.224 ( -2.676 -14.360 0.266) 14.610 12.155 ( -1.737 -2.252 -1.323) 3.137======================= Grid point 890 (346/670) =======================q-point: ( 0.53 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.720 ( 3.395 23.006 -2.423) 23.381 3.971 ( 13.896 9.492 -0.047) 16.828 4.993 ( -3.257 9.240 -0.569) 9.814 9.620 ( 7.607 5.000 -0.223) 9.106 10.385 ( 3.605 -1.802 0.117) 4.032 10.559 ( -0.517 2.636 2.243) 3.500 10.791 ( -2.572 4.916 0.867) 5.615 11.053 ( -4.103 -8.288 -0.398) 9.257 12.087 ( -3.275 -2.365 -1.085) 4.183======================= Grid point 891 (347/670) =======================q-point: ( 0.58 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.975 ( 4.271 17.581 -1.824) 18.184 4.262 ( 11.219 4.689 -0.270) 12.163 5.034 ( -0.495 8.145 -0.226) 8.163 9.817 ( 9.702 5.428 -0.213) 11.120 10.439 ( 4.425 -1.410 0.005) 4.644 10.528 ( -2.472 -5.033 2.368) 6.087 10.789 ( -3.155 4.349 0.636) 5.411 10.940 ( -3.999 -0.898 -0.760) 4.169 11.998 ( -4.042 -2.484 -0.792) 4.810======================= Grid point 892 (348/670) =======================q-point: ( 0.63 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.187 ( 4.426 11.886 -1.091) 12.730 4.400 ( 2.782 0.129 -0.353) 2.807 5.161 ( 5.843 8.328 0.027) 10.173 10.037 ( 9.581 6.011 -0.283) 11.314 10.419 ( -3.032 -7.245 1.707) 8.037 10.496 ( 3.617 -1.154 -0.006) 3.797 10.776 ( -2.697 3.012 0.365) 4.060 10.879 ( -3.935 1.285 -0.476) 4.167 11.907 ( -3.698 -2.359 -0.486) 4.413======================= Grid point 893 (349/670) =======================q-point: ( 0.68 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.342 ( 3.488 6.465 -0.380) 7.356 4.397 ( -0.977 -1.135 -0.275) 1.523 5.346 ( 6.376 6.534 0.066) 9.130 10.203 ( 1.779 2.317 -0.119) 2.924 10.357 ( 4.019 -1.154 0.800) 4.257 10.530 ( 1.372 -0.606 0.005) 1.500 10.765 ( -0.971 1.146 0.073) 1.504 10.813 ( -4.519 -0.646 -0.134) 4.567 11.834 ( -2.305 -1.832 -0.236) 2.954======================= Grid point 894 (350/670) =======================q-point: ( 0.74 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.370 ( -0.176 -0.821 -0.085) 0.844 4.427 ( 1.238 2.491 -0.075) 2.782 5.468 ( 1.796 3.362 0.059) 3.813 10.175 ( -1.563 -1.761 0.235) 2.367 10.495 ( 3.998 6.787 0.100) 7.878 10.537 ( 0.584 0.035 -0.237) 0.631 10.714 ( -3.561 -4.777 0.224) 5.962 10.766 ( 0.232 -0.069 -0.083) 0.256 11.798 ( -0.278 -0.912 -0.111) 0.960======================= Grid point 895 (351/670) =======================q-point: (-0.21 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.380 ( 1.656 0.255 -0.175) 1.684 4.431 ( -2.187 -0.116 -0.009) 2.190 5.463 ( -4.215 -0.177 0.064) 4.219 10.156 ( 0.702 -0.696 0.243) 1.018 10.500 ( -6.030 0.839 0.146) 6.090 10.540 ( -3.223 -0.050 -0.219) 3.230 10.701 ( 6.256 -0.841 0.148) 6.313 10.771 ( 0.225 0.267 -0.014) 0.349 11.807 ( 1.846 0.266 -0.142) 1.871======================= Grid point 896 (352/670) =======================q-point: (-0.16 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.348 ( -6.733 -0.836 -0.411) 6.798 4.422 ( 2.184 0.344 -0.304) 2.232 5.334 ( -9.049 -2.491 0.083) 9.386 10.172 ( 0.217 -0.847 0.129) 0.884 10.357 ( -5.992 -2.914 0.558) 6.686 10.506 ( -0.763 -2.383 0.083) 2.504 10.771 ( -0.308 2.579 0.467) 2.639 10.807 ( 3.290 2.411 -0.445) 4.103 11.861 ( 3.572 1.462 -0.314) 3.872======================= Grid point 897 (353/670) =======================q-point: (-0.11 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.187 ( -11.925 0.314 -1.003) 11.971 4.424 ( -1.875 -3.150 -0.468) 3.696 5.150 ( -9.569 -0.464 0.030) 9.581 10.059 ( -8.714 -4.798 -0.333) 9.953 10.351 ( 5.068 -0.515 1.603) 5.341 10.459 ( -1.038 -4.154 0.209) 4.286 10.791 ( -1.536 4.604 0.717) 4.906 10.874 ( 1.618 3.048 -0.690) 3.519 11.948 ( 4.513 2.323 -0.574) 5.108======================= Grid point 908 (354/670) =======================q-point: ( 0.47 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.667 ( -0.000 24.744 -2.779) 24.899 3.698 ( 0.000 10.902 0.033) 10.902 5.062 ( -0.000 9.659 -0.678) 9.683 9.481 ( -0.000 4.009 -0.118) 4.011 10.320 ( 0.000 -2.190 0.108) 2.193 10.567 ( 0.000 4.680 2.005) 5.091 10.838 ( 0.000 5.250 0.942) 5.334 11.126 ( -0.000 -9.946 -0.269) 9.950 12.148 ( -0.000 -1.769 -1.088) 2.077======================= Grid point 909 (355/670) =======================q-point: ( 0.53 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.863 ( 8.107 8.386 -0.266) 11.666 3.890 ( 1.356 20.196 -2.371) 20.380 5.119 ( -2.347 6.875 -0.469) 7.280 9.555 ( 4.637 3.493 0.013) 5.805 10.319 ( 2.113 -1.690 -0.017) 2.706 10.584 ( -0.814 -1.569 2.109) 2.752 10.876 ( -1.521 4.734 0.793) 5.035 11.043 ( -1.771 -3.372 -0.690) 3.871 12.112 ( -2.090 -1.532 -0.792) 2.709======================= Grid point 910 (356/670) =======================q-point: ( 0.58 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.078 ( 2.750 14.198 -1.982) 14.597 4.109 ( 11.156 5.932 -0.233) 12.637 5.127 ( -2.736 5.100 -0.231) 5.792 9.701 ( 8.668 3.321 0.075) 9.282 10.355 ( 3.793 -1.221 -0.156) 3.988 10.522 ( -2.445 -5.948 1.677) 6.646 10.883 ( -2.814 3.952 0.609) 4.890 10.997 ( -2.687 1.211 -0.654) 3.019 12.046 ( -3.839 -1.392 -0.460) 4.110======================= Grid point 911 (357/670) =======================q-point: ( 0.63 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.231 ( 2.585 9.530 -1.327) 9.963 4.318 ( 8.084 1.747 -0.168) 8.272 5.156 ( 1.619 4.401 -0.079) 4.690 9.902 ( 11.222 3.271 0.052) 11.689 10.408 ( -0.234 -4.004 -0.294) 4.021 10.420 ( 1.127 -2.962 1.022) 3.330 10.862 ( -3.665 2.580 0.422) 4.502 10.960 ( -3.625 1.865 -0.430) 4.099 11.960 ( -4.619 -1.126 -0.135) 4.756======================= Grid point 912 (358/670) =======================q-point: ( 0.68 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.340 ( 2.770 4.253 -0.571) 5.108 4.397 ( 1.051 0.186 -0.035) 1.068 5.271 ( 7.167 2.940 -0.092) 7.747 10.127 ( 11.262 3.179 -0.180) 11.704 10.305 ( -2.775 -4.526 0.440) 5.327 10.478 ( 3.708 -0.533 -0.175) 3.751 10.818 ( -3.478 1.034 0.205) 3.635 10.901 ( -5.032 0.783 -0.246) 5.099 11.877 ( -4.131 -0.550 0.120) 4.169======================= Grid point 913 (359/670) =======================q-point: (-0.26 -0.53 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.381 ( -0.854 0.277 0.299) 0.947 4.413 ( 1.862 0.457 -0.223) 1.930 5.410 ( 6.620 -0.135 -0.126) 6.622 10.203 ( -2.878 -0.451 -0.556) 2.966 10.365 ( 11.496 -0.323 0.390) 11.507 10.522 ( 1.751 -0.082 -0.121) 1.757 10.775 ( -2.345 -0.114 -0.082) 2.350 10.807 ( -6.158 0.079 -0.055) 6.159 11.819 ( -2.553 0.378 0.247) 2.593======================= Grid point 914 (360/670) =======================q-point: (-0.21 -0.53 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.376 ( -0.274 1.355 0.240) 1.403 4.431 ( 0.946 -2.109 0.061) 2.312 5.464 ( 1.810 -3.678 -0.106) 4.100 10.162 ( -1.511 0.507 -0.433) 1.651 10.499 ( 4.224 -5.433 0.203) 6.885 10.538 ( 1.269 -1.652 -0.071) 2.085 10.704 ( -4.213 4.618 -0.249) 6.256 10.770 ( 0.277 0.358 0.068) 0.458 11.804 ( -0.407 1.556 0.225) 1.623======================= Grid point 915 (361/670) =======================q-point: (-0.16 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.394 ( -0.310 -0.742 -0.031) 0.805 4.408 ( -0.224 -0.565 0.064) 0.611 5.399 ( -3.518 -6.027 -0.041) 6.979 10.159 ( 0.240 0.679 -0.176) 0.742 10.406 ( -4.889 -8.439 0.264) 9.757 10.501 ( -1.553 -2.509 -0.195) 2.957 10.777 ( 3.147 5.535 0.057) 6.367 10.798 ( 1.459 2.437 -0.061) 2.841 11.837 ( 1.701 2.750 0.061) 3.234======================= Grid point 916 (362/670) =======================q-point: (-0.11 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.322 ( -5.109 -1.677 -0.379) 5.391 4.416 ( -0.498 -1.573 -0.184) 1.661 5.259 ( -5.925 -4.416 0.014) 7.390 10.122 ( -4.941 -5.648 -0.146) 7.506 10.291 ( 0.683 -1.928 0.616) 2.136 10.442 ( -1.682 -3.880 0.075) 4.230 10.843 ( 0.670 4.106 0.411) 4.181 10.878 ( 2.267 4.358 -0.386) 4.928 11.910 ( 3.211 3.588 -0.212) 4.820======================= Grid point 928 (363/670) =======================q-point: ( 0.53 0.53 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.860 ( -0.000 6.060 -0.265) 6.066 4.054 ( -0.000 16.486 -2.343) 16.651 5.194 ( -0.000 4.714 -0.263) 4.722 9.544 ( 0.000 2.481 0.202) 2.489 10.286 ( -0.000 -1.318 -0.150) 1.326 10.564 ( 0.000 -4.875 1.592) 5.128 10.934 ( 0.000 4.042 0.665) 4.096 11.044 ( -0.000 0.561 -0.670) 0.874 12.117 ( -0.000 -0.960 -0.442) 1.057======================= Grid point 929 (364/670) =======================q-point: ( 0.58 0.53 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.974 ( 7.717 3.712 -0.379) 8.572 4.188 ( 0.490 11.425 -1.911) 11.594 5.210 ( -2.237 3.031 -0.038) 3.767 9.608 ( 5.088 1.848 0.323) 5.423 10.293 ( 2.188 -0.875 -0.288) 2.374 10.504 ( -1.488 -5.370 0.849) 5.637 10.956 ( -1.574 2.925 0.556) 3.367 11.044 ( -1.318 1.765 -0.524) 2.265 12.089 ( -2.349 -0.566 -0.071) 2.417======================= Grid point 930 (365/670) =======================q-point: ( 0.63 0.53 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.162 ( 10.779 1.497 -0.354) 10.888 4.280 ( 1.113 5.926 -1.293) 6.167 5.192 ( -2.073 1.759 0.094) 2.721 9.747 ( 9.398 1.278 0.373) 9.492 10.337 ( 3.743 -0.500 -0.471) 3.806 10.423 ( -2.854 -3.742 0.188) 4.710 10.940 ( -3.018 1.356 0.415) 3.335 11.026 ( -2.495 1.248 -0.383) 2.816 12.030 ( -4.181 -0.160 0.268) 4.192======================= Grid point 931 (366/670) =======================q-point: (-0.32 -0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.316 ( 4.508 0.458 -0.430) 4.551 4.345 ( 4.519 0.521 -0.278) 4.558 5.199 ( 2.349 0.089 0.011) 2.351 9.938 ( 12.048 0.236 0.362) 12.056 10.338 ( -3.608 -1.236 -0.698) 3.877 10.406 ( 4.204 -0.077 -0.254) 4.212 10.887 ( -3.868 -0.245 0.227) 3.882 10.980 ( -3.791 0.183 -0.245) 3.803 11.955 ( -4.873 0.455 0.516) 4.921======================= Grid point 932 (367/670) =======================q-point: (-0.26 -0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.349 ( 2.632 -3.096 -0.109) 4.065 4.405 ( 1.187 0.453 0.352) 1.318 5.270 ( 7.015 -3.047 -0.188) 7.651 10.137 ( 11.702 -2.524 0.278) 11.975 10.276 ( -3.068 2.020 -0.935) 3.790 10.475 ( 3.710 0.384 -0.394) 3.751 10.815 ( -3.422 -1.414 0.064) 3.703 10.903 ( -5.073 -0.415 -0.128) 5.091 11.887 ( -4.218 1.372 0.632) 4.481======================= Grid point 933 (368/670) =======================q-point: (-0.21 -0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.354 ( 3.059 -5.660 0.265) 6.439 4.413 ( -0.993 1.717 0.535) 2.054 5.340 ( 6.326 -6.764 -0.250) 9.265 10.196 ( -0.603 -0.923 -0.607) 1.259 10.334 ( 7.021 -1.699 -0.226) 7.227 10.523 ( 1.275 0.175 -0.403) 1.349 10.761 ( -0.883 -1.258 -0.129) 1.542 10.817 ( -4.643 1.024 0.076) 4.755 11.850 ( -2.511 2.535 0.610) 3.620======================= Grid point 934 (369/670) =======================q-point: (-0.16 -0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.345 ( 2.692 -6.444 0.421) 6.996 4.419 ( -0.646 1.966 0.451) 2.118 5.335 ( 2.297 -9.080 -0.163) 9.367 10.174 ( -0.941 -0.568 -0.385) 1.165 10.361 ( 0.387 -6.054 -0.357) 6.077 10.508 ( -1.813 -1.845 -0.371) 2.613 10.774 ( 2.463 1.124 -0.372) 2.733 10.804 ( 0.370 3.952 0.393) 3.988 11.858 ( -0.371 3.729 0.464) 3.776======================= Grid point 948 (370/670) =======================q-point: ( 0.58 0.58 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.933 ( -0.000 1.880 -0.541) 1.957 4.267 ( -0.000 6.467 -1.634) 6.670 5.253 ( 0.000 1.565 0.208) 1.579 9.578 ( 0.000 0.888 0.506) 1.022 10.267 ( -0.000 -0.476 -0.417) 0.633 10.474 ( 0.000 -3.602 0.045) 3.603 10.993 ( 0.000 1.467 0.509) 1.553 11.069 ( -0.000 1.193 -0.450) 1.275 12.108 ( 0.000 0.007 0.321) 0.321======================= Grid point 949 (371/670) =======================q-point: (-0.37 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.007 ( 7.544 -0.036 -0.589) 7.567 4.301 ( 0.250 1.042 -1.190) 1.601 5.243 ( -2.186 0.290 0.387) 2.239 9.630 ( 5.278 0.096 0.614) 5.314 10.282 ( 2.187 -0.073 -0.546) 2.256 10.436 ( -1.578 -1.174 -0.643) 2.069 10.986 ( -1.649 -0.227 0.413) 1.715 11.063 ( -1.250 0.154 -0.377) 1.315 12.090 ( -2.455 0.483 0.654) 2.586======================= Grid point 950 (372/670) =======================q-point: (-0.32 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.161 ( 11.002 -1.426 -0.419) 11.102 4.293 ( 1.059 -4.094 -0.650) 4.278 5.198 ( -2.248 -1.307 0.388) 2.629 9.753 ( 9.422 -1.021 0.655) 9.500 10.331 ( 3.571 0.350 -0.740) 3.664 10.398 ( -2.672 1.420 -1.094) 3.218 10.937 ( -3.066 -1.839 0.244) 3.584 11.028 ( -2.452 -0.840 -0.247) 2.603 12.043 ( -4.218 1.070 0.878) 4.439======================= Grid point 951 (373/670) =======================q-point: (-0.26 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.252 ( 2.603 -7.945 -0.261) 8.364 4.325 ( 8.487 -1.649 0.179) 8.647 5.160 ( 1.098 -4.153 0.136) 4.298 9.914 ( 11.332 -2.981 0.642) 11.735 10.358 ( -2.959 3.605 -1.712) 4.968 10.412 ( 3.868 1.007 -0.564) 4.036 10.855 ( -3.678 -3.013 0.090) 4.756 10.966 ( -3.595 -1.312 -0.101) 3.828 11.983 ( -4.732 1.915 0.969) 5.196======================= Grid point 952 (374/670) =======================q-point: (-0.21 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.214 ( 4.123 -10.804 0.272) 11.567 4.419 ( 3.243 0.203 0.616) 3.308 5.156 ( 5.346 -8.293 -0.185) 9.869 10.054 ( 9.595 -5.816 0.564) 11.235 10.346 ( -2.624 5.322 -1.832) 6.210 10.487 ( 3.488 0.955 -0.650) 3.675 10.768 ( -2.610 -3.378 -0.049) 4.269 10.890 ( -3.945 -0.534 0.106) 3.983 11.935 ( -3.910 3.017 0.932) 5.026======================= Grid point 953 (375/670) =======================q-point: (-0.16 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.189 ( 5.656 -11.460 0.701) 12.799 4.448 ( -0.199 0.578 0.716) 0.941 5.161 ( 6.048 -10.871 -0.235) 12.442 10.107 ( 4.391 -7.858 0.422) 9.012 10.357 ( -1.687 4.233 -1.798) 4.899 10.516 ( -0.603 -0.825 -0.510) 1.142 10.731 ( 1.923 -1.459 -0.383) 2.445 10.844 ( -1.693 1.717 0.458) 2.454 11.921 ( -2.169 4.194 0.795) 4.788======================= Grid point 968 (376/670) =======================q-point: (-0.37 -0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.928 ( -0.000 -1.996 -0.787) 2.145 4.280 ( -0.000 -4.383 -0.945) 4.484 5.261 ( 0.000 -0.967 0.627) 1.153 9.584 ( 0.000 -0.720 0.779) 1.060 10.263 ( -0.000 0.342 -0.643) 0.729 10.448 ( -0.000 1.299 -1.286) 1.828 10.991 ( 0.000 -1.892 0.386) 1.931 11.069 ( -0.000 -0.848 -0.357) 0.920 12.120 ( 0.000 0.921 0.959) 1.329======================= Grid point 969 (377/670) =======================q-point: (-0.32 -0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.966 ( 7.906 -3.797 -0.786) 8.805 4.213 ( 0.460 -9.576 -0.625) 9.607 5.225 ( -2.364 -2.500 0.727) 3.516 9.618 ( 5.092 -1.669 0.863) 5.427 10.285 ( 2.169 0.760 -0.733) 2.412 10.453 ( -1.463 3.222 -1.735) 3.941 10.952 ( -1.653 -3.381 0.277) 3.774 11.047 ( -1.244 -1.256 -0.258) 1.786 12.114 ( -2.379 1.379 1.143) 2.978======================= Grid point 970 (378/670) =======================q-point: (-0.26 -0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.092 ( 9.377 -7.356 -0.729) 11.940 4.123 ( 5.001 -11.345 -0.043) 12.398 5.144 ( -3.159 -4.654 0.636) 5.661 9.716 ( 8.680 -3.130 0.865) 9.268 10.342 ( 3.679 1.163 -0.816) 3.944 10.451 ( -2.353 4.128 -1.971) 5.144 10.876 ( -2.896 -4.396 0.151) 5.267 11.005 ( -2.560 -0.679 -0.131) 2.652 12.079 ( -3.927 2.054 1.197) 4.591======================= Grid point 971 (379/670) =======================q-point: (-0.21 -0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.013 ( 4.160 -16.425 0.113) 16.944 4.268 ( 12.172 -4.858 0.042) 13.106 5.045 ( -1.355 -7.698 0.351) 7.824 9.837 ( 9.722 -5.247 0.785) 11.075 10.416 ( 2.617 2.167 -1.147) 3.586 10.448 ( -0.793 3.083 -1.772) 3.643 10.779 ( -3.199 -4.731 0.056) 5.711 10.952 ( -3.714 1.114 0.009) 3.877 12.037 ( -4.204 3.007 1.138) 5.293======================= Grid point 972 (380/670) =======================q-point: (-0.16 -0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.944 ( 7.115 -17.134 0.672) 18.565 4.389 ( 6.873 -4.716 0.479) 8.349 4.968 ( 3.082 -10.222 0.032) 10.676 9.925 ( 7.572 -7.836 0.633) 10.915 10.430 ( -1.697 3.277 -2.049) 4.221 10.498 ( 2.441 0.392 -0.770) 2.590 10.695 ( -0.934 -3.757 -0.151) 3.874 10.910 ( -3.782 3.553 0.252) 5.195 12.010 ( -3.264 4.106 0.995) 5.339======================= Grid point 988 (381/670) =======================q-point: (-0.32 -0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.846 ( -0.000 -6.171 -0.989) 6.250 4.089 ( -0.000 -14.854 -0.566) 14.865 5.217 ( 0.000 -4.239 0.904) 4.334 9.559 ( 0.000 -2.322 1.000) 2.529 10.274 ( -0.000 1.229 -0.785) 1.458 10.493 ( -0.000 3.323 -2.034) 3.896 10.928 ( 0.000 -4.645 0.243) 4.651 11.049 ( -0.000 -0.071 -0.237) 0.248 12.152 ( 0.000 1.616 1.282) 2.063======================= Grid point 989 (382/670) =======================q-point: (-0.26 -0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.847 ( 8.518 -8.302 -0.982) 11.935 3.930 ( 1.252 -19.091 -0.399) 19.137 5.146 ( -2.525 -6.491 0.918) 7.025 9.575 ( 4.616 -3.338 1.044) 5.791 10.303 ( 2.092 1.633 -0.819) 2.778 10.502 ( -0.921 1.305 -2.049) 2.598 10.866 ( -1.528 -5.407 0.165) 5.621 11.049 ( -1.647 3.103 -0.255) 3.523 12.154 ( -2.134 2.020 1.298) 3.212======================= Grid point 990 (383/670) =======================q-point: (-0.21 -0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.762 ( 3.464 -21.955 -0.225) 22.228 3.960 ( 14.531 -9.745 -0.600) 17.506 5.019 ( -3.681 -8.876 0.795) 9.642 9.644 ( 7.556 -4.851 0.978) 9.032 10.366 ( 3.543 1.773 -0.837) 4.049 10.478 ( -0.865 -1.727 -1.875) 2.692 10.778 ( -2.533 -5.468 0.115) 6.027 11.053 ( -3.746 7.126 -0.323) 8.057 12.133 ( -3.369 2.715 1.212) 4.494======================= Grid point 991 (384/670) =======================q-point: (-0.16 -0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.631 ( 7.126 -22.849 0.313) 23.937 4.116 ( 15.222 -11.350 -0.235) 18.990 4.874 ( -2.143 -10.176 0.586) 10.416 9.724 ( 7.907 -6.838 0.798) 10.484 10.435 ( 0.967 -2.249 -1.379) 2.810 10.447 ( 3.140 -0.207 -1.108) 3.336 10.685 ( -2.447 -4.682 0.058) 5.284 11.057 ( -5.701 10.177 -0.297) 11.669 12.108 ( -3.415 3.634 1.057) 5.098======================= Grid point 1008 (385/670) =======================q-point: (-0.26 -0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.675 ( -0.000 -11.020 -1.138) 11.079 3.710 ( -0.000 -23.739 -0.594) 23.747 5.094 ( 0.000 -9.406 0.993) 9.458 9.505 ( 0.000 -3.870 1.147) 4.036 10.302 ( -0.000 2.172 -0.817) 2.321 10.492 ( -0.000 -3.590 -1.767) 4.001 10.824 ( 0.000 -5.892 0.133) 5.893 11.120 ( -0.000 8.766 -0.476) 8.779 12.195 ( 0.000 2.089 1.281) 2.450======================= Grid point 1009 (386/670) =======================q-point: (-0.21 -0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.478 ( 2.101 -26.744 -0.616) 26.834 3.636 ( 9.573 -13.405 -1.040) 16.505 4.971 ( -2.146 -12.514 0.934) 12.731 9.502 ( 4.029 -4.830 1.135) 6.391 10.338 ( 1.825 2.428 -0.802) 3.142 10.432 ( 0.104 -7.539 -1.442) 7.676 10.757 ( -1.281 -5.669 0.122) 5.813 11.206 ( -2.547 13.229 -0.631) 13.487 12.204 ( -1.775 2.438 1.174) 3.236======================= Grid point 1010 (387/670) =======================q-point: (-0.16 -0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.275 ( 5.872 -27.897 -0.282) 28.510 3.714 ( 15.871 -15.523 -0.763) 22.213 4.801 ( -2.261 -14.490 0.799) 14.687 9.542 ( 6.348 -6.186 0.976) 8.917 10.354 ( 1.222 -9.507 -1.189) 9.659 10.399 ( 2.906 2.044 -0.784) 3.638 10.678 ( -1.995 -4.689 0.121) 5.098 11.278 ( -5.440 15.612 -0.625) 16.544 12.195 ( -2.680 3.072 1.007) 4.199======================= Grid point 1028 (388/670) =======================q-point: (-0.21 -0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.180 ( -0.000 -30.159 -0.920) 30.173 3.404 ( -0.000 -16.414 -1.230) 16.460 4.849 ( 0.000 -16.968 0.906) 16.992 9.423 ( 0.000 -5.239 1.199) 5.374 10.334 ( -0.000 -11.260 -1.135) 11.317 10.348 ( -0.000 2.972 -0.746) 3.065 10.714 ( 0.000 -5.245 0.146) 5.247 11.375 ( -0.000 16.979 -0.729) 16.995 12.245 ( 0.000 2.406 1.052) 2.626======================= Grid point 1029 (389/670) =======================q-point: (-0.16 -0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.905 ( 3.521 -31.649 -0.925) 31.857 3.318 ( 10.276 -18.890 -1.118) 21.533 4.659 ( -0.712 -20.609 0.797) 20.637 9.403 ( 3.453 -6.010 1.113) 7.020 10.220 ( 1.085 -13.155 -0.930) 13.233 10.387 ( 1.274 2.930 -0.692) 3.269 10.660 ( -0.962 -4.188 0.173) 4.301 11.519 ( -3.325 18.730 -0.670) 19.035 12.260 ( -1.388 2.691 0.878) 3.152======================= Grid point 1048 (390/670) =======================q-point: (-0.16 -0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( -0.000 -33.604 -1.354) 33.631 3.027 ( -0.000 -21.847 -1.253) 21.882 4.437 ( 0.000 -26.365 0.715) 26.374 9.318 ( 0.000 -6.229 1.136) 6.332 10.069 ( -0.000 -15.210 -0.785) 15.230 10.406 ( -0.000 3.377 -0.601) 3.430 10.632 ( 0.000 -3.235 0.220) 3.242 11.736 ( -0.000 20.117 -0.575) 20.126 12.299 ( 0.000 2.626 0.699) 2.717======================= Grid point 1149 (391/670) =======================q-point: ( 0.16 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.283 ( 0.000 -0.000 10.362) 10.362 0.283 ( 0.000 -0.000 10.362) 10.362 0.403 ( 0.000 -0.000 14.759) 14.759 8.860 ( -0.000 0.000 -0.936) 0.936 8.860 ( -0.000 0.000 -0.936) 0.936 10.613 ( 0.000 -0.000 0.487) 0.487 10.613 ( 0.000 -0.000 0.487) 0.487 12.480 ( -0.000 0.000 -0.976) 0.976 13.074 ( 0.000 -0.000 0.853) 0.853======================= Grid point 1150 (392/670) =======================q-point: ( 0.21 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( 6.637 3.832 10.588) 13.070 0.739 ( 27.798 16.049 3.764) 32.318 1.142 ( 45.582 26.317 2.770) 52.706 8.889 ( 2.532 1.462 -0.878) 3.053 8.927 ( 6.336 3.658 -0.927) 7.374 10.604 ( -0.898 -0.519 0.486) 1.146 10.621 ( 0.026 0.015 0.187) 0.189 12.463 ( -1.155 -0.667 -1.102) 1.730 13.000 ( -6.294 -3.634 1.329) 7.388======================= Grid point 1151 (393/670) =======================q-point: ( 0.26 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.766 ( 15.956 9.212 4.104) 18.876 1.379 ( 28.225 16.296 1.902) 32.647 2.148 ( 43.469 25.097 0.901) 50.202 8.965 ( 4.390 2.535 -0.853) 5.140 9.127 ( 11.447 6.609 -0.564) 13.230 10.576 ( -1.716 -0.991 0.488) 2.040 10.615 ( -0.459 -0.265 0.439) 0.688 12.425 ( -1.976 -1.141 -1.293) 2.623 12.808 ( -11.133 -6.428 1.250) 12.916======================= Grid point 1152 (394/670) =======================q-point: ( 0.32 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( 23.679 13.671 0.064) 27.343 1.992 ( 26.157 15.102 1.266) 30.230 3.063 ( 38.087 21.989 -0.053) 43.979 9.074 ( 5.537 3.197 -0.860) 6.451 9.418 ( 14.376 8.300 -0.018) 16.600 10.530 ( -2.442 -1.410 0.498) 2.863 10.609 ( -0.077 -0.045 0.648) 0.655 12.368 ( -3.066 -1.770 -1.391) 3.803 12.521 ( -14.343 -8.281 1.138) 16.601======================= Grid point 1153 (395/670) =======================q-point: ( 0.37 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 27.742 16.017 -1.605) 32.073 2.544 ( 22.897 13.219 0.999) 26.458 3.833 ( 30.770 17.765 -0.672) 35.537 9.201 ( 5.889 3.400 -0.890) 6.858 9.751 ( 15.110 8.724 0.566) 17.457 10.471 ( -2.944 -1.700 0.527) 3.440 10.622 ( 1.209 0.698 0.774) 1.597 12.140 ( -16.828 -9.715 0.987) 19.456 12.328 ( -2.961 -1.709 -1.370) 3.683======================= Grid point 1154 (396/670) =======================q-point: ( 0.42 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.423 ( 28.380 16.385 -2.001) 32.831 3.013 ( 18.774 10.839 0.899) 21.697 4.425 ( 22.515 12.999 -1.035) 26.018 9.327 ( 5.533 3.195 -0.925) 6.456 10.081 ( 13.948 8.053 1.106) 16.143 10.405 ( -3.075 -1.775 0.575) 3.597 10.672 ( 3.075 1.775 0.803) 3.640 11.752 ( -17.722 -10.232 1.103) 20.493 12.268 ( -2.257 -1.303 -1.606) 3.061======================= Grid point 1155 (397/670) =======================q-point: ( 0.47 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.030 ( 26.071 15.052 -1.694) 30.152 3.383 ( 14.148 8.168 0.876) 16.360 4.835 ( 14.660 8.464 -1.159) 16.967 9.439 ( 4.661 2.691 -0.952) 5.466 10.341 ( -2.770 -1.599 0.640) 3.262 10.366 ( 10.877 6.280 1.625) 12.664 10.761 ( 4.632 2.675 0.734) 5.399 11.376 ( -15.657 -9.039 0.845) 18.098 12.218 ( -1.857 -1.072 -1.622) 2.689======================= Grid point 1156 (398/670) =======================q-point: ( 0.53 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.559 ( 21.257 12.273 -0.933) 24.563 3.649 ( 9.501 5.485 0.882) 11.006 5.085 ( 8.406 4.853 -1.086) 9.767 9.527 ( 3.484 2.012 -0.964) 4.137 10.288 ( -2.112 -1.219 0.710) 2.540 10.549 ( 4.067 2.348 2.302) 5.230 10.873 ( 4.934 2.849 0.616) 5.730 11.091 ( -8.974 -5.181 -0.001) 10.362 12.178 ( -1.314 -0.759 -1.509) 2.140======================= Grid point 1157 (399/670) =======================q-point: ( 0.58 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.815 ( 5.280 3.049 0.891) 6.162 3.958 ( 14.363 8.293 0.117) 16.586 5.219 ( 4.163 2.404 -0.900) 4.891 9.588 ( 2.167 1.251 -0.962) 2.680 10.252 ( -1.297 -0.749 0.770) 1.684 10.535 ( -4.708 -2.718 2.331) 5.915 10.973 ( 3.684 2.127 0.431) 4.275 11.008 ( 0.589 0.340 -0.573) 0.889 12.152 ( -0.609 -0.351 -1.278) 1.458======================= Grid point 1158 (400/670) =======================q-point: ( 0.63 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.894 ( 1.626 0.939 0.902) 2.083 4.188 ( 5.891 3.401 1.219) 6.911 5.277 ( 1.449 0.836 -0.690) 1.809 9.618 ( 0.800 0.462 -0.958) 1.331 10.234 ( -0.485 -0.280 0.807) 0.983 10.435 ( -3.500 -2.021 1.448) 4.293 11.024 ( 0.804 0.464 -0.500) 1.055 11.043 ( 1.543 0.891 0.304) 1.808 12.144 ( 0.166 0.096 -0.982) 1.000======================= Grid point 1159 (401/670) =======================q-point: (-0.32 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.895 ( -1.758 -1.015 0.929) 2.232 4.221 ( -3.426 -1.978 2.065) 4.463 5.283 ( -0.752 -0.434 -0.526) 1.015 9.618 ( -0.586 -0.338 -0.965) 1.178 10.234 ( 0.303 0.175 0.813) 0.884 10.408 ( 0.859 0.496 0.722) 1.227 11.010 ( -1.929 -1.114 -0.585) 2.303 11.055 ( -0.501 -0.289 0.345) 0.674 12.153 ( 0.860 0.497 -0.724) 1.229======================= Grid point 1160 (402/670) =======================q-point: (-0.26 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.819 ( -5.385 -3.109 0.981) 6.295 4.048 ( -12.543 -7.242 2.430) 14.686 5.236 ( -3.607 -2.082 -0.460) 4.190 9.586 ( -1.979 -1.143 -0.990) 2.491 10.252 ( 1.120 0.646 0.785) 1.512 10.461 ( 2.820 1.628 0.329) 3.272 10.939 ( -4.164 -2.404 -0.587) 4.844 11.040 ( -0.086 -0.049 0.435) 0.446 12.177 ( 1.393 0.804 -0.585) 1.711======================= Grid point 1161 (403/670) =======================q-point: (-0.21 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.656 ( -9.581 -5.531 1.057) 11.113 3.684 ( -20.349 -11.748 2.313) 23.610 5.107 ( -8.114 -4.685 -0.508) 9.384 9.524 ( -3.333 -1.924 -1.036) 3.985 10.289 ( 1.943 1.122 0.732) 2.360 10.474 ( -2.987 -1.725 0.383) 3.470 10.830 ( -5.176 -2.988 -0.587) 6.006 11.112 ( 7.429 4.289 0.548) 8.596 12.211 ( 1.779 1.027 -0.570) 2.132======================= Grid point 1162 (404/670) =======================q-point: (-0.16 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( -26.024 -15.025 1.880) 30.109 3.394 ( -14.237 -8.220 1.147) 16.480 4.855 ( -14.692 -8.482 -0.623) 16.976 9.433 ( -4.533 -2.617 -1.090) 5.347 10.326 ( -9.723 -5.614 0.661) 11.247 10.342 ( 2.611 1.508 0.666) 3.088 10.717 ( -4.592 -2.651 -0.461) 5.322 11.369 ( 14.692 8.482 0.557) 16.974 12.252 ( 2.060 1.189 -0.630) 2.461======================= Grid point 1169 (405/670) =======================q-point: ( 0.21 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.534 ( 0.000 7.968 10.385) 13.090 0.789 ( 0.000 31.973 4.380) 32.272 1.123 ( 0.000 52.090 2.530) 52.151 8.874 ( -0.000 2.362 -1.120) 2.614 8.936 ( -0.000 7.881 -0.782) 7.920 10.608 ( 0.000 -0.879 0.558) 1.041 10.618 ( 0.000 -0.147 0.198) 0.247 12.460 ( -0.000 -1.365 -1.141) 1.779 13.004 ( 0.000 -7.244 1.323) 7.364======================= Grid point 1170 (406/670) =======================q-point: ( 0.26 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.710 ( 6.377 13.823 5.919) 16.333 1.250 ( 15.167 30.255 2.566) 33.941 1.869 ( 26.280 43.068 1.127) 50.465 8.927 ( 3.004 3.401 -1.063) 4.661 9.069 ( 5.299 10.832 -0.566) 12.072 10.590 ( -1.033 -1.286 0.534) 1.734 10.616 ( -0.038 -0.639 0.373) 0.741 12.432 ( -1.044 -1.836 -1.276) 2.468 12.875 ( -5.741 -9.897 1.290) 11.514======================= Grid point 1171 (407/670) =======================q-point: ( 0.32 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( 14.719 19.135 1.471) 24.186 1.827 ( 18.907 27.045 1.621) 33.039 2.731 ( 31.213 32.939 0.148) 45.379 9.026 ( 4.442 4.454 -1.005) 6.370 9.309 ( 9.935 12.054 -0.127) 15.621 10.553 ( -1.783 -1.615 0.546) 2.467 10.609 ( -0.069 -0.608 0.554) 0.826 12.384 ( -1.868 -2.270 -1.394) 3.253 12.636 ( -10.335 -11.882 1.198) 15.793======================= Grid point 1172 (408/670) =======================q-point: ( 0.37 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( 21.224 21.565 -0.857) 30.269 2.391 ( 17.961 24.316 1.199) 30.254 3.518 ( 29.403 24.191 -0.528) 38.079 9.150 ( 4.979 5.243 -0.999) 7.299 9.617 ( 12.541 11.800 0.423) 17.225 10.504 ( -2.460 -1.562 0.578) 2.971 10.610 ( 0.697 -0.204 0.670) 0.988 12.277 ( -10.328 -10.032 0.346) 14.402 12.359 ( -5.561 -5.574 -0.683) 7.904======================= Grid point 1173 (409/670) =======================q-point: ( 0.42 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.155 ( 24.506 21.501 -1.622) 32.642 2.892 ( 14.971 21.516 1.011) 26.231 4.164 ( 24.380 16.310 -0.952) 29.348 9.283 ( 4.723 5.678 -1.016) 7.455 9.944 ( 13.075 10.474 0.944) 16.779 10.446 ( -3.060 -1.108 0.621) 3.313 10.638 ( 2.397 0.503 0.707) 2.549 11.920 ( -15.510 -13.500 1.184) 20.597 12.280 ( -1.985 -2.465 -1.613) 3.552======================= Grid point 1174 (410/670) =======================q-point: ( 0.47 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.765 ( 24.635 19.588 -1.526) 31.510 3.306 ( 10.960 18.390 0.933) 21.429 4.640 ( 18.065 9.560 -1.134) 20.470 9.408 ( 3.815 5.822 -1.032) 7.037 10.248 ( 11.696 8.290 1.395) 14.404 10.386 ( -3.365 -0.439 0.679) 3.461 10.706 ( 4.380 1.280 0.650) 4.609 11.535 ( -15.231 -12.572 1.080) 19.779 12.223 ( -1.487 -2.514 -1.653) 3.356======================= Grid point 1175 (411/670) =======================q-point: ( 0.53 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.329 ( 21.955 16.270 -0.934) 27.343 3.617 ( 6.638 15.031 0.903) 16.456 4.954 ( 12.040 4.493 -1.106) 12.899 9.514 ( 2.463 5.759 -1.034) 6.349 10.331 ( -3.213 0.230 0.745) 3.306 10.487 ( 7.783 4.892 1.891) 9.385 10.807 ( 5.561 1.627 0.517) 5.817 11.196 ( -11.754 -9.759 0.579) 15.288 12.174 ( -0.827 -2.577 -1.577) 3.132======================= Grid point 1176 (412/670) =======================q-point: ( 0.58 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.791 ( 16.522 11.822 -0.095) 20.316 3.826 ( 2.914 11.850 0.939) 12.239 5.137 ( 7.293 1.274 -0.945) 7.464 9.594 ( 0.876 5.539 -1.021) 5.700 10.288 ( -2.682 0.854 0.808) 2.929 10.572 ( -1.280 -1.612 2.417) 3.175 10.915 ( 5.219 1.197 0.304) 5.363 11.005 ( -2.308 -3.274 -0.287) 4.016 12.138 ( 0.030 -2.509 -1.394) 2.871======================= Grid point 1177 (413/670) =======================q-point: ( 0.63 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.941 ( -0.877 9.003 0.849) 9.086 4.109 ( 9.664 6.814 0.969) 11.864 5.230 ( 3.979 -0.583 -0.748) 4.091 9.644 ( -0.786 5.144 -1.001) 5.299 10.263 ( -1.955 1.375 0.853) 2.538 10.478 ( -4.540 -4.184 1.816) 6.435 10.992 ( 3.000 -0.251 -0.586) 3.067 11.013 ( 2.647 0.148 0.398) 2.681 12.120 ( 0.989 -2.265 -1.143) 2.723======================= Grid point 1178 (414/670) =======================q-point: (-0.32 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.978 ( -4.062 6.918 0.868) 8.069 4.243 ( 1.024 1.363 1.755) 2.446 5.262 ( 1.592 -1.900 -0.591) 2.549 9.661 ( -2.410 4.477 -0.987) 5.179 10.254 ( -1.185 1.833 0.868) 2.349 10.402 ( -0.761 -2.106 1.117) 2.502 11.008 ( 0.309 -1.817 -0.700) 1.972 11.047 ( 1.069 -0.774 0.474) 1.402 12.121 ( 1.860 -1.874 -0.904) 2.791======================= Grid point 1179 (415/670) =======================q-point: (-0.26 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.943 ( -7.472 5.234 0.909) 9.168 4.176 ( -8.264 -3.852 2.114) 9.359 5.243 ( -0.780 -3.402 -0.525) 3.530 9.644 ( -3.875 3.472 -0.996) 5.297 10.263 ( -0.409 2.278 0.854) 2.467 10.420 ( 3.197 0.228 0.735) 3.288 10.964 ( -2.277 -3.270 -0.604) 4.030 11.038 ( -0.351 -1.608 0.402) 1.694 12.140 ( 2.484 -1.396 -0.761) 2.949======================= Grid point 1180 (416/670) =======================q-point: (-0.21 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.829 ( -11.632 3.281 0.992) 12.126 3.910 ( -16.987 -7.949 1.969) 18.858 5.159 ( -4.241 -5.482 -0.570) 6.955 9.593 ( -5.122 2.257 -1.030) 5.691 10.289 ( 0.409 2.651 0.817) 2.804 10.478 ( 1.623 -0.144 0.699) 1.773 10.872 ( -4.008 -4.094 -0.524) 5.753 11.043 ( 3.379 0.102 0.464) 3.412 12.172 ( 2.840 -0.870 -0.738) 3.061======================= Grid point 1181 (417/670) =======================q-point: (-0.16 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.469 ( -24.152 -11.345 1.527) 26.727 3.627 ( -16.491 1.679 1.039) 16.609 4.978 ( -9.730 -8.133 -0.690) 12.700 9.511 ( -6.162 1.030 -1.076) 6.339 10.332 ( 1.224 2.806 0.760) 3.154 10.423 ( -6.497 -3.651 0.860) 7.502 10.759 ( -4.318 -3.978 -0.406) 5.885 11.201 ( 12.642 4.391 0.574) 13.395 12.213 ( 2.993 -0.338 -0.797) 3.116======================= Grid point 1189 (418/670) =======================q-point: ( 0.26 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( 0.000 18.723 4.342) 19.220 1.436 ( 0.000 32.371 2.398) 32.460 2.127 ( 0.000 49.986 0.724) 49.992 8.936 ( -0.000 4.591 -1.125) 4.727 9.144 ( -0.000 13.684 -0.402) 13.689 10.585 ( 0.000 -1.806 0.568) 1.894 10.610 ( 0.000 -0.736 0.413) 0.844 12.417 ( -0.000 -2.359 -1.322) 2.704 12.816 ( 0.000 -12.826 1.261) 12.888======================= Grid point 1190 (419/670) =======================q-point: ( 0.32 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 6.370 23.784 1.500) 24.668 1.857 ( 11.775 30.619 1.702) 32.849 2.717 ( 14.041 43.058 0.127) 45.290 9.007 ( 2.912 5.385 -1.054) 6.212 9.322 ( 4.423 15.182 -0.101) 15.814 10.560 ( -0.884 -2.082 0.562) 2.331 10.604 ( -0.009 -0.725 0.544) 0.906 12.380 ( -0.995 -2.798 -1.370) 3.271 12.640 ( -5.193 -14.839 1.171) 15.765======================= Grid point 1191 (420/670) =======================q-point: ( 0.37 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( 13.009 26.560 -0.592) 29.581 2.383 ( 15.258 28.694 1.217) 32.521 3.370 ( 19.364 32.433 -0.441) 37.777 9.124 ( 4.485 6.153 -1.003) 7.680 9.574 ( 7.944 14.914 0.343) 16.901 10.522 ( -1.428 -1.806 0.604) 2.380 10.600 ( 0.203 -0.554 0.620) 0.856 12.308 ( -4.335 -7.510 -0.443) 8.683 12.386 ( -6.731 -11.588 0.125) 13.401======================= Grid point 1192 (421/670) =======================q-point: ( 0.42 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( 18.030 26.500 -1.497) 32.087 2.902 ( 13.704 26.979 0.963) 30.275 3.962 ( 19.836 21.628 -0.856) 29.359 9.264 ( 4.787 6.955 -0.998) 8.502 9.865 ( 9.996 13.184 0.820) 16.566 10.483 ( -2.025 -0.830 0.662) 2.287 10.609 ( 1.314 -0.311 0.632) 1.490 12.011 ( -12.169 -16.319 1.222) 20.393 12.281 ( -1.958 -3.240 -1.614) 4.115======================= Grid point 1193 (422/670) =======================q-point: ( 0.47 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.592 ( 20.450 24.251 -1.544) 31.760 3.353 ( 9.793 24.734 0.826) 26.615 4.436 ( 17.462 12.221 -1.051) 21.340 9.407 ( 4.098 7.689 -1.009) 8.771 10.155 ( 10.342 10.496 1.241) 14.787 10.442 ( -2.875 0.408 0.722) 2.992 10.648 ( 3.391 0.096 0.569) 3.440 11.643 ( -13.360 -15.576 1.170) 20.553 12.215 ( -1.628 -3.398 -1.642) 4.110======================= Grid point 1194 (423/670) =======================q-point: ( 0.53 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.148 ( 20.108 20.482 -1.074) 28.723 3.704 ( 5.154 21.493 0.729) 22.114 4.778 ( 13.749 5.396 -1.022) 14.805 9.539 ( 2.698 8.284 -1.008) 8.771 10.395 ( -0.725 2.513 0.973) 2.791 10.411 ( 5.923 5.870 1.439) 8.462 10.726 ( 5.314 0.477 0.432) 5.352 11.288 ( -12.082 -13.276 0.865) 17.972 12.153 ( -1.023 -3.757 -1.568) 4.197======================= Grid point 1195 (424/670) =======================q-point: ( 0.58 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.637 ( 17.161 15.696 -0.314) 23.259 3.945 ( 0.981 17.483 0.652) 17.523 5.003 ( 9.748 1.551 -0.836) 9.906 9.649 ( 0.860 8.682 -0.983) 8.780 10.358 ( -3.514 2.059 0.836) 4.158 10.561 ( 2.815 1.177 2.174) 3.747 10.828 ( 5.962 0.323 0.206) 5.975 11.021 ( -6.024 -7.989 0.114) 10.007 12.101 ( -0.082 -4.011 -1.406) 4.251======================= Grid point 1196 (425/670) =======================q-point: ( 0.63 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.008 ( 11.645 10.347 0.485) 15.585 4.086 ( -1.895 13.610 0.662) 13.758 5.137 ( 6.035 -0.182 -0.611) 6.069 9.728 ( -1.192 8.804 -0.937) 8.934 10.327 ( -3.063 2.505 0.876) 4.053 10.515 ( -4.613 -5.164 2.005) 7.209 10.919 ( 4.759 -0.808 -0.494) 4.852 10.963 ( 2.609 -1.280 0.285) 2.920 12.067 ( 1.094 -4.013 -1.184) 4.325======================= Grid point 1197 (426/670) =======================q-point: ( 0.68 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.145 ( -4.348 10.745 0.493) 11.601 4.228 ( 4.497 4.932 1.360) 6.812 5.203 ( 2.911 -1.309 -0.447) 3.223 9.772 ( -3.340 8.482 -0.887) 9.159 10.310 ( -2.300 2.739 0.887) 3.685 10.402 ( -2.639 -4.215 1.301) 5.140 10.962 ( 2.406 -2.321 -0.804) 3.438 11.007 ( 2.641 -1.199 0.612) 2.964 12.055 ( 2.294 -3.715 -0.969) 4.473======================= Grid point 1198 (427/670) =======================q-point: (-0.26 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.147 ( -7.105 9.319 0.560) 11.732 4.261 ( -3.868 -0.285 1.651) 4.215 5.209 ( 0.350 -2.919 -0.390) 2.965 9.773 ( -5.389 7.448 -0.866) 9.234 10.309 ( -1.341 3.122 0.841) 3.500 10.370 ( 1.800 -1.557 0.979) 2.573 10.949 ( -0.233 -3.799 -0.664) 3.864 11.019 ( 0.661 -2.374 0.468) 2.509 12.066 ( 3.259 -3.159 -0.838) 4.615======================= Grid point 1199 (428/670) =======================q-point: (-0.21 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.077 ( -11.486 3.298 0.992) 11.991 4.112 ( -12.022 0.727 1.125) 12.096 5.154 ( -2.188 -5.241 -0.458) 5.698 9.732 ( -6.922 5.826 -0.896) 9.092 10.328 ( -0.809 3.783 0.839) 3.958 10.426 ( 4.456 -0.069 0.998) 4.567 10.881 ( -2.441 -4.814 -0.505) 5.421 11.000 ( 0.722 -2.460 0.371) 2.591 12.097 ( 3.844 -2.419 -0.824) 4.616======================= Grid point 1200 (429/670) =======================q-point: (-0.16 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.757 ( -20.676 -7.659 0.990) 22.071 3.955 ( -15.860 7.860 0.677) 17.714 5.025 ( -5.739 -7.683 -0.625) 9.610 9.652 ( -7.923 4.049 -0.944) 8.948 10.359 ( -0.220 3.965 0.824) 4.056 10.465 ( -0.974 -1.615 1.200) 2.236 10.780 ( -3.515 -4.970 -0.350) 6.098 11.050 ( 7.904 0.325 0.407) 7.921 12.141 ( 4.062 -1.586 -0.900) 4.452======================= Grid point 1209 (430/670) =======================q-point: ( 0.32 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( 0.000 27.796 0.256) 27.797 2.051 ( 0.000 30.032 1.432) 30.066 3.040 ( 0.000 43.880 -0.101) 43.880 9.035 ( -0.000 6.059 -0.971) 6.136 9.443 ( 0.000 16.886 0.043) 16.886 10.545 ( 0.000 -2.622 0.524) 2.674 10.600 ( 0.000 -0.386 0.640) 0.747 12.355 ( -0.000 -3.437 -1.280) 3.668 12.532 ( 0.000 -16.681 1.019) 16.712======================= Grid point 1210 (431/670) =======================q-point: ( 0.37 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( 5.637 30.362 -1.075) 30.899 2.433 ( 10.793 27.962 1.048) 29.991 3.499 ( 6.726 37.422 -0.440) 38.025 9.118 ( 2.942 6.502 -0.871) 7.189 9.637 ( 3.343 17.002 0.329) 17.330 10.517 ( -0.336 -2.615 0.519) 2.687 10.599 ( -0.177 0.054 0.718) 0.742 12.281 ( -3.133 -12.088 0.358) 12.493 12.356 ( -2.477 -9.439 -0.695) 9.783======================= Grid point 1211 (432/670) =======================q-point: ( 0.42 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( 10.699 30.548 -1.810) 32.418 2.921 ( 15.001 25.986 0.765) 30.015 3.952 ( 9.414 27.718 -0.750) 29.283 9.248 ( 4.796 7.046 -0.824) 8.563 9.875 ( 5.744 15.533 0.706) 16.576 10.492 ( -0.214 -1.680 0.562) 1.784 10.600 ( -0.172 0.321 0.724) 0.810 12.017 ( -8.218 -18.533 1.227) 20.311 12.275 ( -1.740 -3.410 -1.619) 4.156======================= Grid point 1212 (433/670) =======================q-point: ( 0.47 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.549 ( 14.367 28.388 -1.881) 31.872 3.411 ( 13.342 24.561 0.597) 27.957 4.333 ( 10.277 17.194 -0.923) 20.052 9.403 ( 5.236 7.869 -0.829) 9.488 10.123 ( 7.081 12.763 1.092) 14.636 10.481 ( -0.640 0.159 0.644) 0.922 10.609 ( 1.028 0.165 0.630) 1.217 11.685 ( -10.487 -17.828 1.151) 20.715 12.206 ( -1.974 -3.581 -1.596) 4.389======================= Grid point 1213 (434/670) =======================q-point: ( 0.53 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.058 ( 15.963 24.464 -1.463) 29.248 3.823 ( 7.959 22.608 0.449) 23.972 4.626 ( 10.598 8.383 -0.877) 13.542 9.564 ( 4.384 8.904 -0.848) 9.961 10.353 ( 7.039 8.970 1.451) 11.494 10.470 ( -2.262 1.948 0.763) 3.081 10.650 ( 3.733 -0.078 0.426) 3.758 11.343 ( -10.830 -15.700 0.910) 19.095 12.133 ( -1.754 -4.083 -1.498) 4.689======================= Grid point 1214 (435/670) =======================q-point: ( 0.58 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.531 ( 15.211 19.413 -0.753) 24.674 4.105 ( 1.901 18.435 0.253) 18.534 4.854 ( 10.074 3.891 -0.607) 10.817 9.712 ( 2.569 9.924 -0.841) 10.286 10.443 ( -3.399 2.699 0.867) 4.426 10.526 ( 4.430 3.738 1.872) 6.091 10.730 ( 5.618 -0.160 0.175) 5.623 11.047 ( -8.007 -11.536 0.326) 14.046 12.063 ( -0.985 -4.555 -1.329) 4.846======================= Grid point 1215 (436/670) =======================q-point: ( 0.63 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.923 ( 12.117 13.787 0.055) 18.355 4.253 ( -1.723 12.793 0.090) 12.909 5.035 ( 7.379 3.257 -0.288) 8.071 9.833 ( 0.187 10.653 -0.783) 10.683 10.413 ( -3.634 2.784 0.919) 4.669 10.541 ( -3.299 -4.286 2.026) 5.776 10.821 ( 5.497 -0.963 -0.380) 5.594 10.909 ( 0.890 -3.541 0.075) 3.652 12.008 ( 0.252 -4.771 -1.114) 4.905======================= Grid point 1216 (437/670) =======================q-point: ( 0.68 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.190 ( 6.782 8.091 0.718) 10.582 4.314 ( -2.865 8.613 0.058) 9.077 5.156 ( 3.226 3.144 -0.086) 4.505 9.916 ( -2.471 10.867 -0.673) 11.165 10.376 ( -3.302 -0.307 1.101) 3.495 10.426 ( -4.081 -2.321 1.029) 4.807 10.883 ( 3.878 -2.334 -0.779) 4.592 10.941 ( 3.674 -1.795 0.608) 4.134 11.976 ( 1.738 -4.602 -0.910) 5.003======================= Grid point 1217 (438/670) =======================q-point: (-0.26 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.298 ( -0.868 3.562 0.822) 3.758 4.337 ( -2.980 6.253 0.298) 6.933 5.200 ( -0.776 1.655 -0.022) 1.828 9.951 ( -5.459 10.192 -0.579) 11.576 10.316 ( -0.031 -3.364 0.828) 3.465 10.392 ( -2.360 3.318 0.849) 4.159 10.898 ( 1.562 -3.744 -0.653) 4.109 10.970 ( 2.227 -3.002 0.517) 3.773 11.973 ( 3.157 -4.049 -0.792) 5.195======================= Grid point 1218 (439/670) =======================q-point: (-0.21 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.241 ( -8.093 -1.149 0.937) 8.228 4.326 ( -5.874 7.046 0.071) 9.174 5.162 ( -3.813 -1.440 -0.084) 4.077 9.925 ( -8.028 8.162 -0.629) 11.466 10.335 ( 4.211 -0.847 0.867) 4.382 10.399 ( -1.297 3.884 0.932) 4.200 10.860 ( -0.854 -4.842 -0.467) 4.939 10.962 ( 0.777 -3.623 0.341) 3.722 11.998 ( 4.214 -3.197 -0.799) 5.349======================= Grid point 1219 (440/670) =======================q-point: (-0.16 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.011 ( -16.204 -4.273 0.451) 16.764 4.268 ( -10.502 8.338 0.083) 13.410 5.048 ( -5.777 -5.160 -0.285) 7.752 9.843 ( -9.328 5.727 -0.739) 10.971 10.407 ( 1.156 2.886 0.901) 3.237 10.435 ( 2.328 1.258 1.402) 2.995 10.780 ( -2.521 -5.206 -0.275) 5.791 10.952 ( 2.799 -2.564 0.159) 3.799 12.045 ( 4.774 -2.169 -0.907) 5.321======================= Grid point 1229 (441/670) =======================q-point: ( 0.37 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( -0.000 32.614 -1.851) 32.667 2.603 ( 0.000 26.300 0.795) 26.312 3.807 ( -0.000 35.492 -0.561) 35.496 9.154 ( -0.000 6.616 -0.709) 6.653 9.780 ( 0.000 17.532 0.443) 17.538 10.491 ( 0.000 -3.174 0.430) 3.203 10.609 ( 0.000 1.021 0.841) 1.323 12.158 ( 0.000 -18.955 1.197) 18.993 12.309 ( -0.000 -3.856 -1.576) 4.165======================= Grid point 1230 (442/670) =======================q-point: ( 0.42 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.234 ( 4.500 32.923 -2.381) 33.315 2.939 ( 10.334 23.776 0.535) 25.930 4.142 ( 2.121 29.253 -0.713) 29.338 9.243 ( 3.158 6.703 -0.589) 7.433 9.968 ( 2.240 16.552 0.675) 16.716 10.466 ( 0.535 -2.920 0.391) 2.994 10.621 ( -0.583 1.870 0.903) 2.156 11.936 ( -4.029 -19.964 1.163) 20.399 12.263 ( -1.092 -3.084 -1.586) 3.636======================= Grid point 1231 (443/670) =======================q-point: ( 0.47 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( 8.155 31.090 -2.443) 32.234 3.381 ( 15.476 21.094 0.331) 26.164 4.421 ( 2.148 21.168 -0.788) 21.291 9.382 ( 5.465 7.061 -0.540) 8.945 10.169 ( 3.591 14.212 0.972) 14.691 10.461 ( 1.635 -1.888 0.365) 2.525 10.629 ( -1.213 2.404 0.903) 2.840 11.655 ( -7.020 -19.108 1.025) 20.382 12.203 ( -2.018 -3.224 -1.504) 4.090======================= Grid point 1232 (444/670) =======================q-point: ( 0.53 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.081 ( 10.657 27.370 -2.062) 29.444 3.834 ( 14.644 18.522 0.158) 23.612 4.620 ( 2.319 13.270 -0.708) 13.490 9.553 ( 6.344 7.868 -0.551) 10.122 10.359 ( 4.072 10.614 1.303) 11.443 10.485 ( 2.130 -0.373 0.373) 2.194 10.635 ( -0.956 2.354 0.804) 2.665 11.350 ( -8.558 -16.912 0.761) 18.970 12.127 ( -2.498 -3.675 -1.370) 4.650======================= Grid point 1233 (445/670) =======================q-point: ( 0.58 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.505 ( 11.542 22.330 -1.376) 25.174 4.192 ( 8.005 14.505 -0.099) 16.567 4.776 ( 5.027 8.487 -0.385) 9.872 9.735 ( 5.635 9.050 -0.581) 10.677 10.503 ( 1.857 4.414 1.499) 5.019 10.513 ( 1.066 2.339 0.785) 2.688 10.660 ( 2.079 1.370 0.453) 2.530 11.063 ( -7.951 -12.959 0.220) 15.205 12.044 ( -2.283 -4.191 -1.179) 4.916======================= Grid point 1234 (446/670) =======================q-point: ( 0.63 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.878 ( 10.494 16.606 -0.565) 19.652 4.365 ( 0.667 7.617 -0.362) 7.654 4.967 ( 7.301 8.803 0.027) 11.437 9.905 ( 3.514 10.238 -0.567) 10.839 10.497 ( -3.084 1.624 1.031) 3.634 10.552 ( -1.134 -2.308 1.811) 3.146 10.727 ( 4.437 0.025 -0.135) 4.439 10.876 ( -2.352 -5.326 -0.300) 5.830 11.968 ( -1.325 -4.511 -0.951) 4.797======================= Grid point 1235 (447/670) =======================q-point: ( 0.68 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.162 ( 7.405 10.797 0.156) 13.093 4.401 ( -1.160 2.727 -0.394) 2.989 5.157 ( 4.169 9.146 0.208) 10.054 10.040 ( 0.545 10.742 -0.405) 10.763 10.419 ( -4.835 -4.893 1.335) 7.008 10.493 ( -3.287 1.495 0.565) 3.655 10.793 ( 4.092 -1.426 -0.615) 4.377 10.863 ( 2.947 -2.216 0.391) 3.708 11.912 ( 0.203 -4.440 -0.742) 4.506======================= Grid point 1236 (448/670) =======================q-point: ( 0.74 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.325 ( 2.326 5.442 0.532) 5.942 4.401 ( -0.391 1.100 -0.330) 1.213 5.267 ( -1.055 7.578 0.255) 7.655 10.125 ( -2.459 9.987 0.051) 10.286 10.305 ( -3.328 -3.452 0.310) 4.805 10.469 ( -2.600 2.989 0.609) 4.008 10.827 ( 2.582 -2.856 -0.547) 3.889 10.891 ( 3.278 -3.745 0.508) 5.003 11.887 ( 1.963 -3.924 -0.626) 4.431======================= Grid point 1237 (449/670) =======================q-point: (-0.21 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.344 ( -4.021 1.221 0.464) 4.228 4.411 ( 0.013 1.506 -0.340) 1.544 5.266 ( -6.084 4.444 0.248) 7.538 10.138 ( -7.007 8.117 0.167) 10.724 10.266 ( 1.837 -1.046 0.170) 2.121 10.466 ( -1.704 3.465 0.696) 3.924 10.819 ( 0.423 -3.869 -0.359) 3.909 10.899 ( 2.307 -4.450 0.334) 5.024 11.898 ( 3.559 -3.036 -0.648) 4.722======================= Grid point 1238 (450/670) =======================q-point: (-0.16 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.215 ( -11.289 -1.552 0.061) 11.395 4.423 ( -1.486 3.052 -0.500) 3.431 5.155 ( -9.755 0.400 0.185) 9.765 10.059 ( -9.664 5.337 -0.440) 11.049 10.334 ( 5.530 0.322 1.245) 5.678 10.481 ( -0.997 3.539 0.767) 3.756 10.768 ( -1.653 -4.064 -0.136) 4.389 10.891 ( 1.600 -3.542 0.036) 3.887 11.942 ( 4.683 -1.917 -0.791) 5.121======================= Grid point 1249 (451/670) =======================q-point: ( 0.42 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.513 ( -0.000 33.369 -2.845) 33.490 3.070 ( 0.000 21.556 0.323) 21.559 4.398 ( -0.000 25.996 -0.738) 26.006 9.277 ( -0.000 6.321 -0.393) 6.333 10.111 ( 0.000 16.033 0.770) 16.052 10.430 ( 0.000 -3.302 0.288) 3.314 10.654 ( 0.000 3.150 1.004) 3.306 11.777 ( 0.000 -20.239 1.017) 20.264 12.241 ( -0.000 -2.753 -1.495) 3.133======================= Grid point 1250 (452/670) =======================q-point: ( 0.47 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.849 ( 3.270 31.848 -2.959) 32.152 3.352 ( 9.847 18.642 0.131) 21.084 4.618 ( -0.648 20.452 -0.726) 20.476 9.366 ( 3.549 6.124 -0.267) 7.083 10.272 ( 1.232 14.131 0.964) 14.217 10.411 ( 1.342 -2.885 0.207) 3.188 10.684 ( -0.996 4.019 1.044) 4.270 11.559 ( -3.380 -19.200 0.798) 19.512 12.200 ( -1.369 -2.687 -1.360) 3.308======================= Grid point 1251 (453/670) =======================q-point: ( 0.53 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.210 ( 5.714 28.494 -2.669) 29.183 3.733 ( 15.225 15.203 -0.028) 21.516 4.762 ( -1.985 14.665 -0.613) 14.812 9.510 ( 6.431 6.328 -0.221) 9.025 10.419 ( 2.055 5.783 0.728) 6.180 10.426 ( 2.555 3.004 0.630) 3.994 10.702 ( -2.072 4.388 1.034) 4.961 11.308 ( -5.704 -16.710 0.449) 17.662 12.135 ( -2.611 -2.908 -1.182) 4.083======================= Grid point 1252 (454/670) =======================q-point: ( 0.58 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.567 ( 7.286 23.704 -2.045) 24.882 4.116 ( 14.244 10.781 -0.197) 17.865 4.848 ( -1.341 10.822 -0.358) 10.910 9.695 ( 7.913 7.016 -0.239) 10.578 10.467 ( 3.953 -1.334 0.011) 4.172 10.531 ( 0.995 5.467 1.692) 5.809 10.706 ( -2.553 4.235 0.938) 5.033 11.063 ( -6.460 -12.070 -0.151) 13.691 12.052 ( -3.265 -3.276 -0.959) 4.724======================= Grid point 1253 (455/670) =======================q-point: ( 0.63 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.891 ( 7.663 18.075 -1.240) 19.671 4.365 ( 5.947 4.264 -0.387) 7.328 4.968 ( 4.062 10.900 -0.005) 11.632 9.899 ( 7.550 8.044 -0.290) 11.036 10.517 ( 2.663 -0.804 0.039) 2.782 10.546 ( -1.589 -3.248 2.118) 4.191 10.712 ( -1.091 3.360 0.530) 3.572 10.886 ( -4.359 -4.030 -0.718) 5.979 11.963 ( -3.019 -3.550 -0.711) 4.714======================= Grid point 1254 (456/670) =======================q-point: ( 0.68 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.156 ( 6.512 12.267 -0.457) 13.896 4.418 ( -0.104 -0.330 -0.382) 0.516 5.172 ( 6.175 10.911 0.154) 12.538 10.088 ( 4.973 8.541 -0.259) 9.887 10.444 ( -3.611 -6.249 1.389) 7.350 10.538 ( -0.099 0.063 0.172) 0.208 10.739 ( 1.289 1.285 -0.056) 1.821 10.826 ( -1.027 -0.885 -0.180) 1.368 11.885 ( -1.857 -3.493 -0.489) 3.986======================= Grid point 1255 (457/670) =======================q-point: ( 0.74 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.335 ( 3.638 6.925 0.076) 7.823 4.397 ( -0.341 -1.579 -0.313) 1.645 5.345 ( 2.260 8.881 0.190) 9.166 10.197 ( 0.325 2.771 0.402) 2.819 10.367 ( -2.398 2.624 0.008) 3.555 10.528 ( -1.451 1.096 0.205) 1.830 10.768 ( 1.609 -0.747 -0.239) 1.790 10.808 ( 1.446 -3.827 0.282) 4.101 11.835 ( -0.070 -2.997 -0.362) 3.019======================= Grid point 1256 (458/670) =======================q-point: (-0.21 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.388 ( 0.889 -0.662 -0.442) 1.193 4.408 ( -0.465 2.224 0.298) 2.292 5.407 ( -3.541 5.719 0.212) 6.730 10.190 ( 0.438 -2.248 0.905) 2.463 10.374 ( -5.765 9.210 -0.685) 10.887 10.519 ( -1.263 1.718 0.261) 2.148 10.773 ( 1.420 -2.806 0.049) 3.146 10.805 ( 2.883 -4.710 0.133) 5.523 11.825 ( 1.895 -2.104 -0.382) 2.857======================= Grid point 1257 (459/670) =======================q-point: (-0.16 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.356 ( -6.370 -0.029 -0.140) 6.372 4.417 ( 2.187 0.008 -0.470) 2.236 5.338 ( -9.058 2.121 0.239) 9.306 10.190 ( -0.000 -0.949 0.716) 1.189 10.334 ( -5.773 5.144 -0.100) 7.732 10.519 ( -0.616 1.240 0.447) 1.455 10.761 ( -0.640 -1.537 0.062) 1.666 10.817 ( 3.282 -3.346 -0.013) 4.687 11.855 ( 3.602 -0.957 -0.543) 3.767======================= Grid point 1269 (460/670) =======================q-point: ( 0.47 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.119 ( -0.000 30.635 -3.190) 30.801 3.436 ( -0.000 16.228 -0.046) 16.228 4.806 ( -0.000 16.944 -0.655) 16.956 9.389 ( -0.000 5.379 -0.065) 5.380 10.370 ( 0.000 -2.947 0.093) 2.949 10.395 ( 0.000 12.489 1.078) 12.535 10.740 ( 0.000 4.946 1.102) 5.067 11.408 ( 0.000 -17.884 0.469) 17.890 12.184 ( -0.000 -2.289 -1.170) 2.571======================= Grid point 1270 (461/670) =======================q-point: ( 0.53 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.412 ( 2.127 27.628 -3.050) 27.877 3.659 ( 9.173 13.183 -0.182) 16.061 4.932 ( -1.991 12.703 -0.520) 12.869 9.473 ( 4.059 4.990 0.054) 6.433 10.359 ( 1.861 -2.448 -0.023) 3.076 10.509 ( 0.332 9.130 1.307) 9.230 10.781 ( -1.329 5.176 1.107) 5.457 11.225 ( -2.694 -14.748 -0.003) 14.992 12.146 ( -1.739 -2.161 -0.939) 2.928======================= Grid point 1271 (462/670) =======================q-point: ( 0.58 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.699 ( 3.615 23.152 -2.562) 23.572 3.969 ( 13.872 9.476 -0.256) 16.802 4.989 ( -3.208 9.308 -0.326) 9.850 9.620 ( 7.542 5.040 0.088) 9.072 10.385 ( 3.607 -1.837 -0.156) 4.051 10.576 ( -0.401 2.976 1.663) 3.433 10.799 ( -2.616 4.791 1.035) 5.556 11.049 ( -4.157 -8.690 -0.634) 9.654 12.080 ( -3.278 -2.241 -0.675) 4.027======================= Grid point 1272 (463/670) =======================q-point: ( 0.63 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.960 ( 4.561 17.734 -1.822) 18.402 4.260 ( 11.170 4.705 -0.267) 12.123 5.032 ( -0.411 8.194 -0.129) 8.205 9.816 ( 9.609 5.468 0.042) 11.055 10.437 ( 4.421 -1.472 -0.323) 4.671 10.545 ( -2.389 -5.232 1.778) 6.020 10.795 ( -3.242 4.200 0.767) 5.360 10.933 ( -3.972 -0.801 -0.894) 4.149 11.993 ( -4.050 -2.333 -0.402) 4.691======================= Grid point 1273 (464/670) =======================q-point: ( 0.68 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.178 ( 4.721 12.016 -1.012) 12.950 4.397 ( 2.747 0.216 -0.164) 2.760 5.161 ( 5.907 8.302 -0.043) 10.189 10.036 ( 9.474 6.012 -0.090) 11.221 10.430 ( -2.886 -7.515 0.861) 8.096 10.496 ( 3.530 -1.284 0.026) 3.756 10.779 ( -2.825 2.937 0.414) 4.096 10.875 ( -3.821 1.444 -0.511) 4.116 11.904 ( -3.720 -2.200 -0.167) 4.325======================= Grid point 1274 (465/670) =======================q-point: ( 0.74 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.339 ( 3.740 6.619 -0.309) 7.609 4.395 ( -1.054 -1.102 -0.086) 1.527 5.347 ( 6.431 6.474 -0.022) 9.125 10.202 ( 2.122 2.281 -0.217) 3.123 10.363 ( 3.603 -1.364 0.553) 3.892 10.530 ( 1.436 -0.653 -0.052) 1.578 10.766 ( -1.095 1.122 0.088) 1.570 10.812 ( -4.372 -0.626 -0.169) 4.420 11.833 ( -2.356 -1.686 -0.031) 2.897======================= Grid point 1275 (466/670) =======================q-point: ( 0.79 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.370 ( -0.303 -0.706 -0.028) 0.769 4.427 ( 1.364 2.487 -0.028) 2.837 5.468 ( 1.854 3.297 0.021) 3.782 10.177 ( -1.349 -2.012 0.081) 2.424 10.496 ( 4.111 7.107 0.061) 8.211 10.535 ( 0.119 -0.161 -0.112) 0.230 10.715 ( -3.170 -5.006 0.083) 5.926 10.766 ( 0.126 0.050 -0.031) 0.138 11.797 ( -0.370 -0.790 -0.038) 0.873======================= Grid point 1276 (467/670) =======================q-point: (-0.16 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.378 ( 1.492 0.362 -0.224) 1.552 4.431 ( -2.226 -0.178 -0.031) 2.233 5.463 ( -4.160 -0.238 0.089) 4.168 10.159 ( 0.918 -0.931 0.352) 1.354 10.500 ( -6.466 1.019 -0.007) 6.546 10.538 ( -2.612 0.045 -0.095) 2.614 10.702 ( 6.183 -1.149 0.202) 6.292 10.770 ( 0.201 0.361 -0.037) 0.415 11.806 ( 1.715 0.365 -0.194) 1.764======================= Grid point 1289 (468/670) =======================q-point: ( 0.53 0.53 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.642 ( -0.000 24.948 -3.070) 25.136 3.696 ( -0.000 10.884 -0.347) 10.890 5.057 ( -0.000 9.725 -0.365) 9.731 9.481 ( 0.000 4.040 0.248) 4.048 10.320 ( -0.000 -2.225 -0.148) 2.230 10.582 ( 0.000 5.014 1.448) 5.219 10.847 ( 0.000 5.144 1.115) 5.264 11.123 ( -0.000 -10.349 -0.556) 10.364 12.141 ( -0.000 -1.645 -0.651) 1.770======================= Grid point 1290 (469/670) =======================q-point: ( 0.58 0.53 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.857 ( 5.934 11.846 -1.339) 13.317 3.871 ( 3.656 16.982 -1.843) 17.468 5.116 ( -2.339 6.961 -0.175) 7.346 9.557 ( 4.600 3.526 0.353) 5.807 10.318 ( 2.112 -1.729 -0.282) 2.743 10.599 ( -0.770 -1.605 1.462) 2.304 10.884 ( -1.545 4.548 1.019) 4.910 11.037 ( -1.779 -3.431 -0.962) 3.983 12.108 ( -2.095 -1.376 -0.341) 2.530======================= Grid point 1291 (470/670) =======================q-point: ( 0.63 0.53 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.060 ( 2.642 14.811 -2.152) 15.197 4.106 ( 11.508 5.604 -0.383) 12.806 5.126 ( -2.737 5.176 -0.029) 5.856 9.703 ( 8.594 3.359 0.364) 9.234 10.353 ( 3.780 -1.267 -0.435) 4.010 10.534 ( -2.390 -6.367 1.042) 6.880 10.889 ( -2.860 3.794 0.790) 4.816 10.990 ( -2.657 1.425 -0.836) 3.129 12.044 ( -3.855 -1.215 -0.041) 4.042======================= Grid point 1292 (471/670) =======================q-point: ( 0.68 0.53 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.220 ( 2.830 9.804 -1.412) 10.302 4.316 ( 8.154 1.789 -0.142) 8.349 5.155 ( 1.587 4.424 -0.042) 4.700 9.903 ( 11.100 3.315 0.272) 11.588 10.403 ( 1.434 -3.029 -0.848) 3.457 10.429 ( -0.445 -4.417 0.804) 4.512 10.866 ( -3.731 2.461 0.535) 4.502 10.956 ( -3.574 2.018 -0.538) 4.140 11.961 ( -4.653 -0.947 0.202) 4.753======================= Grid point 1293 (472/670) =======================q-point: ( 0.74 0.53 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.335 ( 3.022 4.528 -0.631) 5.481 4.398 ( 1.042 0.223 0.102) 1.070 5.270 ( 7.162 2.911 -0.163) 7.733 10.126 ( 10.887 3.174 -0.095) 11.341 10.308 ( -2.389 -4.826 0.102) 5.386 10.476 ( 3.746 -0.597 -0.294) 3.805 10.820 ( -3.560 0.951 0.295) 3.696 10.898 ( -4.984 0.857 -0.340) 5.068 11.879 ( -4.193 -0.388 0.337) 4.224======================= Grid point 1294 (473/670) =======================q-point: (-0.21 -0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.384 ( -0.924 0.378 0.401) 1.075 4.411 ( 1.992 0.619 -0.288) 2.106 5.408 ( 6.665 -0.182 -0.177) 6.670 10.197 ( -2.552 -0.629 -0.764) 2.737 10.369 ( 11.209 -0.393 0.544) 11.229 10.521 ( 1.900 -0.152 -0.178) 1.915 10.774 ( -2.678 -0.152 -0.084) 2.684 10.806 ( -5.886 0.113 -0.092) 5.888 11.822 ( -2.651 0.512 0.334) 2.720======================= Grid point 1309 (474/670) =======================q-point: ( 0.58 0.58 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.856 ( -0.000 6.044 -0.603) 6.074 4.033 ( -0.000 16.821 -2.607) 17.022 5.193 ( 0.000 4.820 0.034) 4.820 9.547 ( 0.000 2.512 0.536) 2.569 10.283 ( -0.000 -1.358 -0.410) 1.419 10.575 ( 0.000 -5.269 0.925) 5.349 10.940 ( 0.000 3.856 0.913) 3.963 11.037 ( -0.000 0.768 -0.922) 1.200 12.115 ( 0.000 -0.778 0.009) 0.778======================= Grid point 1310 (475/670) =======================q-point: ( 0.63 0.58 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.970 ( 7.760 3.708 -0.651) 8.625 4.171 ( 0.603 11.782 -2.179) 11.997 5.211 ( -2.259 3.137 0.205) 3.871 9.612 ( 5.048 1.883 0.621) 5.424 10.290 ( 2.183 -0.915 -0.542) 2.428 10.508 ( -1.461 -5.845 0.261) 6.031 10.962 ( -1.597 2.787 0.762) 3.302 11.039 ( -1.301 1.943 -0.715) 2.445 12.090 ( -2.362 -0.373 0.330) 2.414======================= Grid point 1311 (476/670) =======================q-point: ( 0.68 0.58 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.158 ( 10.869 1.544 -0.495) 10.989 4.268 ( 1.329 6.241 -1.552) 6.566 5.194 ( -2.155 1.839 0.228) 2.842 9.751 ( 9.321 1.326 0.609) 9.434 10.332 ( 3.666 -0.560 -0.719) 3.778 10.423 ( -2.717 -4.170 -0.223) 4.982 10.944 ( -3.070 1.230 0.569) 3.355 11.022 ( -2.458 1.368 -0.513) 2.860 12.034 ( -4.214 0.024 0.571) 4.253======================= Grid point 1312 (477/670) =======================q-point: (-0.26 -0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.311 ( 4.147 0.708 -0.632) 4.254 4.343 ( 5.266 0.623 -0.326) 5.312 5.199 ( 2.206 0.124 0.016) 2.209 9.942 ( 11.925 0.319 0.494) 11.939 10.331 ( -3.357 -1.597 -0.888) 3.822 10.403 ( 4.096 -0.186 -0.445) 4.124 10.889 ( -3.920 -0.354 0.369) 3.953 10.978 ( -3.760 0.273 -0.353) 3.787 11.960 ( -4.934 0.614 0.692) 5.020======================= Grid point 1313 (478/670) =======================q-point: (-0.21 -0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.348 ( 2.831 -2.951 -0.303) 4.101 4.408 ( 1.231 0.642 0.362) 1.434 5.268 ( 6.953 -3.053 -0.229) 7.597 10.138 ( 11.287 -2.266 0.094) 11.513 10.269 ( -2.609 1.472 -0.630) 3.061 10.471 ( 3.769 0.319 -0.556) 3.823 10.816 ( -3.481 -1.498 0.198) 3.795 10.901 ( -5.044 -0.317 -0.230) 5.059 11.893 ( -4.309 1.500 0.677) 4.612======================= Grid point 1329 (479/670) =======================q-point: ( 0.63 0.63 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.928 ( -0.000 1.861 -0.820) 2.033 4.251 ( -0.000 6.865 -1.996) 7.150 5.255 ( 0.000 1.680 0.427) 1.733 9.584 ( 0.000 0.920 0.787) 1.211 10.262 ( -0.000 -0.510 -0.650) 0.827 10.472 ( -0.000 -4.060 -0.414) 4.081 10.998 ( 0.000 1.351 0.706) 1.524 11.064 ( -0.000 1.306 -0.615) 1.443 12.112 ( 0.000 0.196 0.653) 0.682======================= Grid point 1330 (480/670) =======================q-point: (-0.32 -0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.001 ( 7.637 -0.050 -0.802) 7.679 4.289 ( 0.340 1.423 -1.618) 2.181 5.246 ( -2.238 0.394 0.531) 2.334 9.636 ( 5.239 0.133 0.849) 5.309 10.276 ( 2.177 -0.100 -0.754) 2.306 10.430 ( -1.541 -1.593 -0.908) 2.395 10.990 ( -1.687 -0.343 0.579) 1.817 11.060 ( -1.221 0.247 -0.494) 1.340 12.097 ( -2.476 0.648 0.877) 2.705======================= Grid point 1331 (481/670) =======================q-point: (-0.26 -0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.157 ( 11.184 -1.442 -0.536) 11.289 4.285 ( 1.241 -3.748 -1.108) 4.101 5.201 ( -2.391 -1.222 0.435) 2.720 9.759 ( 9.351 -0.974 0.811) 9.436 10.325 ( 3.431 0.352 -0.892) 3.563 10.388 ( -2.470 1.020 -1.137) 2.904 10.939 ( -3.118 -1.943 0.409) 3.696 11.026 ( -2.414 -0.754 -0.350) 2.553 12.050 ( -4.263 1.202 0.970) 4.534======================= Grid point 1332 (482/670) =======================q-point: (-0.21 -0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.248 ( 2.826 -7.695 -0.645) 8.223 4.326 ( 8.730 -1.611 0.065) 8.878 5.161 ( 0.876 -4.081 0.117) 4.176 9.919 ( 11.233 -2.918 0.674) 11.626 10.345 ( -2.908 3.334 -1.359) 4.628 10.406 ( 3.929 0.904 -0.785) 4.107 10.857 ( -3.724 -3.095 0.277) 4.850 10.964 ( -3.557 -1.215 -0.225) 3.766 11.991 ( -4.802 2.015 0.933) 5.291======================= Grid point 1349 (483/670) =======================q-point: (-0.32 -0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.921 ( -0.000 -2.018 -0.990) 2.248 4.270 ( -0.000 -4.022 -1.510) 4.296 5.266 ( 0.000 -0.868 0.716) 1.125 9.591 ( 0.000 -0.688 0.987) 1.203 10.256 ( -0.000 0.326 -0.819) 0.881 10.436 ( -0.000 0.936 -1.334) 1.630 10.995 ( 0.000 -2.002 0.534) 2.072 11.066 ( -0.000 -0.761 -0.441) 0.880 12.129 ( 0.000 1.053 1.069) 1.500======================= Grid point 1350 (484/670) =======================q-point: (-0.26 -0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.959 ( 8.020 -3.822 -0.931) 8.933 4.205 ( 0.555 -9.261 -1.277) 9.365 5.232 ( -2.430 -2.414 0.736) 3.503 9.626 ( 5.052 -1.638 1.015) 5.407 10.278 ( 2.164 0.756 -0.865) 2.450 10.439 ( -1.438 2.928 -1.540) 3.607 10.955 ( -1.685 -3.477 0.427) 3.888 11.045 ( -1.218 -1.178 -0.343) 1.729 12.123 ( -2.402 1.472 1.128) 3.034======================= Grid point 1351 (485/670) =======================q-point: (-0.21 -0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.085 ( 9.212 -7.644 -0.888) 12.004 4.120 ( 5.574 -10.823 -0.640) 12.191 5.149 ( -3.308 -4.568 0.579) 5.670 9.724 ( 8.605 -3.098 0.929) 9.193 10.335 ( 3.659 1.178 -0.876) 3.942 10.436 ( -2.304 3.895 -1.556) 4.785 10.878 ( -2.931 -4.467 0.337) 5.353 11.003 ( -2.518 -0.628 -0.261) 2.608 12.089 ( -3.972 2.115 1.063) 4.624======================= Grid point 1369 (486/670) =======================q-point: (-0.26 -0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.837 ( -0.000 -6.195 -1.106) 6.293 4.081 ( -0.000 -14.595 -1.356) 14.658 5.224 ( 0.000 -4.172 0.841) 4.256 9.568 ( 0.000 -2.296 1.117) 2.553 10.267 ( -0.000 1.237 -0.879) 1.518 10.478 ( -0.000 3.159 -1.602) 3.542 10.930 ( 0.000 -4.740 0.393) 4.756 11.047 ( -0.000 -0.038 -0.333) 0.335 12.162 ( 0.000 1.670 1.155) 2.030======================= Grid point 1370 (487/670) =======================q-point: (-0.21 -0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.838 ( 8.586 -8.370 -1.045) 12.037 3.923 ( 1.421 -18.838 -1.250) 18.933 5.153 ( -2.580 -6.436 0.787) 6.978 9.584 ( 4.570 -3.316 1.096) 5.751 10.296 ( 2.090 1.651 -0.864) 2.800 10.487 ( -0.931 1.294 -1.445) 2.151 10.868 ( -1.537 -5.485 0.358) 5.707 11.046 ( -1.619 3.038 -0.373) 3.463 12.164 ( -2.154 2.045 1.068) 3.156======================= Grid point 1389 (488/670) =======================q-point: (-0.21 -0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.665 ( -0.000 -11.045 -1.160) 11.106 3.701 ( -0.000 -23.578 -1.534) 23.628 5.102 ( 0.000 -9.376 0.794) 9.410 9.515 ( 0.000 -3.852 1.156) 4.022 10.295 ( -0.000 2.202 -0.820) 2.350 10.480 ( -0.000 -3.484 -1.135) 3.664 10.826 ( 0.000 -5.961 0.375) 5.973 11.116 ( -0.000 8.634 -0.527) 8.650 12.205 ( 0.000 2.087 0.969) 2.301======================= Grid point 1530 (489/670) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.365 ( 0.000 -0.000 9.312) 9.312 0.365 ( 0.000 -0.000 9.312) 9.312 0.521 ( 0.000 -0.000 13.256) 13.256 8.851 ( -0.000 0.000 -1.079) 1.079 8.851 ( -0.000 0.000 -1.079) 1.079 10.617 ( 0.000 -0.000 0.558) 0.558 10.617 ( 0.000 -0.000 0.558) 0.558 12.471 ( -0.000 0.000 -1.107) 1.107 13.081 ( 0.000 -0.000 0.964) 0.964======================= Grid point 1531 (490/670) =======================q-point: ( 0.26 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( 4.566 2.636 10.307) 11.577 0.773 ( 26.425 15.256 4.302) 30.815 1.165 ( 44.376 25.621 2.691) 51.312 8.880 ( 2.564 1.480 -1.060) 3.145 8.919 ( 6.446 3.722 -0.949) 7.504 10.608 ( -0.907 -0.524 0.558) 1.187 10.623 ( 0.028 0.016 0.325) 0.327 12.454 ( -1.207 -0.697 -1.176) 1.823 13.011 ( -6.256 -3.612 1.277) 7.336======================= Grid point 1532 (491/670) =======================q-point: ( 0.32 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.802 ( 13.820 7.979 4.614) 16.612 1.397 ( 27.782 16.040 2.323) 32.164 2.155 ( 43.026 24.841 0.714) 49.687 8.956 ( 4.415 2.549 -1.066) 5.208 9.122 ( 11.636 6.718 -0.459) 13.444 10.580 ( -1.723 -0.995 0.561) 2.067 10.619 ( -0.381 -0.220 0.438) 0.621 12.414 ( -2.030 -1.172 -1.314) 2.687 12.818 ( -11.167 -6.447 1.244) 12.955======================= Grid point 1533 (492/670) =======================q-point: ( 0.37 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 22.623 13.061 0.643) 26.130 2.005 ( 25.954 14.984 1.609) 30.012 3.062 ( 37.829 21.841 -0.239) 43.682 9.066 ( 5.556 3.208 -1.089) 6.508 9.419 ( 14.581 8.418 0.152) 16.837 10.535 ( -2.443 -1.411 0.576) 2.880 10.614 ( -0.018 -0.010 0.573) 0.573 12.356 ( -2.957 -1.707 -1.306) 3.655 12.530 ( -14.510 -8.377 1.047) 16.787======================= Grid point 1534 (493/670) =======================q-point: ( 0.42 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( 27.348 15.789 -0.891) 31.591 2.554 ( 22.790 13.158 1.299) 26.348 3.827 ( 30.616 17.676 -0.802) 35.361 9.192 ( 5.906 3.410 -1.117) 6.910 9.757 ( 15.295 8.831 0.715) 17.676 10.476 ( -2.938 -1.696 0.610) 3.447 10.628 ( 1.243 0.718 0.623) 1.565 12.149 ( -16.665 -9.622 1.154) 19.278 12.316 ( -3.160 -1.825 -1.520) 3.953======================= Grid point 1535 (494/670) =======================q-point: ( 0.47 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.410 ( 28.304 16.341 -1.108) 32.702 3.022 ( 18.715 10.805 1.165) 21.642 4.416 ( 22.445 12.959 -1.088) 25.940 9.318 ( 5.551 3.205 -1.136) 6.510 10.091 ( 14.110 8.146 1.156) 16.334 10.410 ( -3.063 -1.768 0.666) 3.599 10.677 ( 3.081 1.779 0.574) 3.603 11.761 ( -17.765 -10.257 1.199) 20.548 12.255 ( -2.269 -1.310 -1.645) 3.094======================= Grid point 1536 (495/670) =======================q-point: ( 0.53 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.020 ( 26.170 15.109 -0.677) 30.227 3.392 ( 14.112 8.147 1.110) 16.332 4.825 ( 14.662 8.465 -1.149) 16.969 9.430 ( 4.682 2.703 -1.139) 5.525 10.346 ( -2.754 -1.590 0.737) 3.265 10.379 ( 11.066 6.389 1.510) 12.866 10.766 ( 4.618 2.666 0.436) 5.350 11.384 ( -15.843 -9.147 0.971) 18.320 12.204 ( -1.834 -1.059 -1.603) 2.656======================= Grid point 1537 (496/670) =======================q-point: ( 0.58 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.555 ( 21.469 12.395 0.087) 24.790 3.657 ( 9.473 5.469 1.083) 10.992 5.076 ( 8.457 4.882 -1.052) 9.821 9.518 ( 3.507 2.025 -1.125) 4.203 10.294 ( -2.098 -1.211 0.813) 2.556 10.567 ( 4.347 2.510 1.976) 5.395 10.876 ( 4.914 2.837 0.231) 5.679 11.092 ( -9.390 -5.421 0.316) 10.847 12.165 ( -1.253 -0.723 -1.472) 2.064======================= Grid point 1538 (497/670) =======================q-point: ( 0.63 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.823 ( 5.257 3.035 1.064) 6.163 3.963 ( 14.633 8.448 0.969) 16.924 5.211 ( 4.234 2.444 -0.888) 4.969 9.579 ( 2.189 1.264 -1.104) 2.758 10.258 ( -1.291 -0.745 0.876) 1.729 10.553 ( -4.914 -2.837 2.013) 6.021 10.974 ( 3.468 2.002 -0.355) 4.020 11.006 ( 0.748 0.432 0.204) 0.887 12.141 ( -0.516 -0.298 -1.275) 1.407======================= Grid point 1539 (498/670) =======================q-point: ( 0.68 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.902 ( 1.610 0.929 1.054) 2.137 4.200 ( 6.136 3.542 1.723) 7.291 5.271 ( 1.515 0.874 -0.740) 1.899 9.609 ( 0.818 0.472 -1.090) 1.442 10.241 ( -0.490 -0.283 0.914) 1.075 10.447 ( -3.756 -2.168 1.405) 4.559 11.019 ( 0.836 0.482 -0.803) 1.255 11.047 ( 1.495 0.863 0.593) 1.825 12.135 ( 0.267 0.154 -1.071) 1.115======================= Grid point 1540 (499/670) =======================q-point: (-0.26 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.903 ( -1.763 -1.018 1.066) 2.298 4.238 ( -3.287 -1.898 2.099) 4.337 5.278 ( -0.706 -0.408 -0.663) 1.051 9.609 ( -0.576 -0.332 -1.092) 1.278 10.241 ( 0.284 0.164 0.915) 0.972 10.416 ( 0.674 0.389 1.047) 1.305 11.005 ( -1.895 -1.094 -0.633) 2.278 11.058 ( -0.528 -0.305 0.414) 0.736 12.146 ( 0.941 0.543 -0.938) 1.435======================= Grid point 1541 (500/670) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.827 ( -5.379 -3.105 1.103) 6.308 4.066 ( -12.529 -7.233 1.999) 14.604 5.231 ( -3.591 -2.073 -0.688) 4.203 9.578 ( -1.977 -1.141 -1.116) 2.541 10.259 ( 1.090 0.629 0.881) 1.537 10.467 ( 2.717 1.568 1.017) 3.298 10.934 ( -4.155 -2.399 -0.506) 4.824 11.044 ( -0.040 -0.023 0.391) 0.394 12.171 ( 1.443 0.833 -0.912) 1.900======================= Grid point 1550 (501/670) =======================q-point: ( 0.26 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.619 ( 0.000 5.753 9.758) 11.328 0.825 ( 0.000 30.575 4.211) 30.864 1.145 ( 0.000 50.618 2.710) 50.691 8.865 ( -0.000 2.351 -1.105) 2.598 8.928 ( -0.000 8.054 -0.923) 8.107 10.613 ( 0.000 -0.878 0.567) 1.045 10.620 ( 0.000 -0.175 0.355) 0.396 12.450 ( -0.000 -1.421 -1.173) 1.843 13.014 ( 0.000 -7.184 1.240) 7.291======================= Grid point 1551 (502/670) =======================q-point: ( 0.32 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( 5.213 11.578 5.850) 13.980 1.272 ( 14.822 29.706 2.622) 33.301 1.878 ( 25.968 42.527 1.065) 49.840 8.918 ( 3.030 3.401 -1.070) 4.679 9.064 ( 5.393 11.032 -0.602) 12.294 10.594 ( -1.036 -1.287 0.554) 1.743 10.619 ( -0.001 -0.581 0.410) 0.712 12.421 ( -1.076 -1.891 -1.253) 2.511 12.885 ( -5.755 -9.922 1.227) 11.536======================= Grid point 1552 (503/670) =======================q-point: ( 0.37 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 13.733 17.906 1.733) 22.632 1.841 ( 18.737 26.784 1.778) 32.735 2.731 ( 30.967 32.693 0.011) 45.031 9.017 ( 4.444 4.472 -1.084) 6.398 9.309 ( 10.102 12.229 -0.045) 15.862 10.558 ( -1.778 -1.607 0.577) 2.465 10.613 ( -0.030 -0.564 0.502) 0.756 12.373 ( -1.876 -2.274 -1.298) 3.221 12.645 ( -10.377 -11.935 1.099) 15.854======================= Grid point 1553 (504/670) =======================q-point: ( 0.42 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 20.796 21.050 -0.342) 29.592 2.401 ( 17.887 24.155 1.385) 30.088 3.513 ( 29.235 24.061 -0.630) 37.868 9.142 ( 4.971 5.272 -1.117) 7.331 9.621 ( 12.714 11.940 0.525) 17.450 10.509 ( -2.457 -1.543 0.617) 2.966 10.615 ( 0.727 -0.183 0.539) 0.923 12.280 ( -8.756 -8.550 0.365) 12.244 12.354 ( -7.167 -7.087 -0.681) 10.102======================= Grid point 1554 (505/670) =======================q-point: ( 0.47 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( 24.427 21.298 -0.853) 32.419 2.902 ( 14.947 21.396 1.197) 26.127 4.156 ( 24.287 16.253 -0.977) 29.239 9.274 ( 4.716 5.711 -1.143) 7.494 9.952 ( 13.222 10.584 0.975) 16.964 10.451 ( -3.054 -1.085 0.669) 3.309 10.643 ( 2.405 0.506 0.492) 2.507 11.930 ( -15.521 -13.505 1.232) 20.611 12.267 ( -2.005 -2.483 -1.607) 3.573======================= Grid point 1555 (506/670) =======================q-point: ( 0.53 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.756 ( 24.741 19.522 -0.576) 31.521 3.315 ( 10.964 18.283 1.105) 21.348 4.631 ( 18.036 9.565 -1.084) 20.444 9.399 ( 3.812 5.859 -1.148) 7.084 10.260 ( 11.829 8.393 1.284) 14.561 10.391 ( -3.353 -0.414 0.734) 3.457 10.710 ( 4.366 1.270 0.358) 4.561 11.544 ( -15.316 -12.636 1.110) 19.886 12.209 ( -1.482 -2.506 -1.562) 3.304======================= Grid point 1556 (507/670) =======================q-point: ( 0.58 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.325 ( 22.169 16.271 0.075) 27.499 3.625 ( 6.661 14.924 1.050) 16.377 4.945 ( 12.054 4.547 -1.015) 12.923 9.505 ( 2.463 5.800 -1.130) 6.402 10.337 ( -3.200 0.249 0.805) 3.309 10.501 ( 7.988 5.054 1.567) 9.582 10.810 ( 5.532 1.608 0.150) 5.762 11.202 ( -12.014 -9.953 0.744) 15.619 12.161 ( -0.796 -2.545 -1.450) 3.035======================= Grid point 1557 (508/670) =======================q-point: ( 0.63 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.794 ( 16.669 11.811 0.807) 20.446 3.834 ( 3.072 11.782 1.059) 12.222 5.130 ( 7.322 1.357 -0.861) 7.496 9.585 ( 0.876 5.584 -1.098) 5.758 10.295 ( -2.670 0.865 0.869) 2.938 10.590 ( -1.233 -1.546 1.903) 2.744 10.915 ( 5.094 1.096 -0.272) 5.217 11.005 ( -2.414 -3.356 0.280) 4.143 12.127 ( 0.084 -2.456 -1.285) 2.773======================= Grid point 1558 (509/670) =======================q-point: ( 0.68 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.948 ( -0.814 8.871 0.950) 8.959 4.119 ( 9.907 6.855 1.571) 12.150 5.224 ( 3.999 -0.493 -0.715) 4.092 9.635 ( -0.792 5.194 -1.066) 5.362 10.270 ( -1.949 1.375 0.914) 2.555 10.492 ( -4.738 -4.317 1.499) 6.583 10.985 ( 2.925 -0.289 -0.954) 3.090 11.018 ( 2.711 0.179 0.772) 2.825 12.110 ( 1.051 -2.201 -1.113) 2.681======================= Grid point 1559 (510/670) =======================q-point: (-0.26 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.986 ( -3.998 6.801 0.949) 7.946 4.258 ( 1.193 1.338 1.915) 2.623 5.257 ( 1.592 -1.822 -0.639) 2.503 9.652 ( -2.427 4.529 -1.051) 5.245 10.262 ( -1.189 1.820 0.928) 2.363 10.412 ( -0.890 -2.207 1.172) 2.653 11.002 ( 0.383 -1.790 -0.738) 1.974 11.051 ( 0.984 -0.800 0.537) 1.377 12.113 ( 1.909 -1.816 -1.003) 2.820======================= Grid point 1560 (511/670) =======================q-point: (-0.21 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.951 ( -7.400 5.133 0.973) 9.058 4.192 ( -8.208 -3.963 1.791) 9.289 5.237 ( -0.805 -3.347 -0.666) 3.507 9.635 ( -3.904 3.521 -1.063) 5.363 10.270 ( -0.422 2.259 0.908) 2.471 10.428 ( 3.143 0.179 1.199) 3.368 10.959 ( -2.230 -3.251 -0.537) 3.979 11.042 ( -0.372 -1.608 0.384) 1.695 12.132 ( 2.509 -1.354 -0.994) 3.019======================= Grid point 1570 (512/670) =======================q-point: ( 0.32 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( 0.000 16.478 4.018) 16.960 1.454 ( 0.000 31.892 2.062) 31.958 2.134 ( 0.000 49.472 0.822) 49.479 8.927 ( -0.000 4.609 -0.959) 4.708 9.140 ( -0.000 13.911 -0.532) 13.922 10.590 ( 0.000 -1.812 0.515) 1.884 10.614 ( 0.000 -0.662 0.481) 0.818 12.406 ( -0.000 -2.412 -1.247) 2.715 12.826 ( 0.000 -12.862 1.162) 12.914======================= Grid point 1571 (513/670) =======================q-point: ( 0.37 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 5.974 22.303 1.271) 23.124 1.870 ( 11.711 30.322 1.466) 32.538 2.718 ( 13.892 42.745 0.161) 44.946 8.999 ( 2.891 5.417 -0.891) 6.204 9.321 ( 4.526 15.395 -0.182) 16.047 10.564 ( -0.862 -2.084 0.510) 2.312 10.609 ( -0.012 -0.658 0.554) 0.860 12.369 ( -0.996 -2.792 -1.230) 3.209 12.649 ( -5.214 -14.916 1.030) 15.835======================= Grid point 1572 (514/670) =======================q-point: ( 0.42 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( 12.776 25.815 -0.527) 28.808 2.393 ( 15.249 28.484 1.133) 32.329 3.367 ( 19.205 32.268 -0.435) 37.553 9.116 ( 4.435 6.204 -0.908) 7.680 9.577 ( 8.101 15.079 0.314) 17.120 10.527 ( -1.393 -1.800 0.564) 2.345 10.605 ( 0.187 -0.506 0.553) 0.772 12.304 ( -3.357 -5.815 -0.424) 6.728 12.388 ( -7.730 -13.325 0.129) 15.405======================= Grid point 1573 (515/670) =======================q-point: ( 0.47 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 18.044 26.142 -1.079) 31.783 2.910 ( 13.728 26.807 0.976) 30.134 3.955 ( 19.726 21.558 -0.816) 29.232 9.255 ( 4.730 7.017 -0.961) 8.516 9.872 ( 10.149 13.307 0.773) 16.753 10.488 ( -1.995 -0.814 0.643) 2.249 10.613 ( 1.290 -0.286 0.472) 1.403 12.022 ( -12.171 -16.327 1.220) 20.401 12.267 ( -1.971 -3.259 -1.560) 4.115======================= Grid point 1574 (516/670) =======================q-point: ( 0.53 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.582 ( 20.627 24.065 -0.844) 31.706 3.360 ( 9.830 24.569 0.887) 26.478 4.427 ( 17.416 12.228 -0.955) 21.302 9.399 ( 4.050 7.754 -1.001) 8.805 10.165 ( 10.466 10.601 1.096) 14.938 10.448 ( -2.855 0.434 0.726) 2.978 10.652 ( 3.361 0.096 0.315) 3.377 11.652 ( -13.394 -15.628 1.103) 20.612 12.201 ( -1.629 -3.388 -1.474) 4.038======================= Grid point 1575 (517/670) =======================q-point: ( 0.58 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.143 ( 20.373 20.377 -0.221) 28.815 3.711 ( 5.203 21.309 0.804) 21.950 4.769 ( 13.748 5.478 -0.886) 14.826 9.531 ( 2.665 8.352 -1.005) 8.824 10.403 ( -1.869 2.046 0.882) 2.908 10.422 ( 7.212 6.501 1.225) 9.787 10.728 ( 5.273 0.463 0.099) 5.295 11.295 ( -12.209 -13.428 0.870) 18.169 12.141 ( -1.011 -3.724 -1.351) 4.088======================= Grid point 1576 (518/670) =======================q-point: ( 0.63 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.637 ( 17.459 15.626 0.530) 23.436 3.951 ( 1.057 17.273 0.718) 17.320 4.996 ( 9.753 1.691 -0.700) 9.923 9.641 ( 0.836 8.756 -0.975) 8.850 10.365 ( -3.504 2.079 0.858) 4.164 10.577 ( 3.004 1.389 1.577) 3.666 10.828 ( 5.858 0.252 -0.248) 5.869 11.024 ( -6.225 -8.231 0.461) 10.330 12.090 ( -0.057 -3.955 -1.190) 4.130======================= Grid point 1577 (519/670) =======================q-point: ( 0.68 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.015 ( 11.793 10.292 1.140) 15.694 4.092 ( -1.661 13.369 0.700) 13.490 5.133 ( 6.015 -0.019 -0.514) 6.037 9.720 ( -1.217 8.890 -0.925) 9.021 10.334 ( -3.057 2.518 0.905) 4.063 10.529 ( -4.762 -5.286 1.394) 7.250 10.913 ( 4.568 -0.908 -0.902) 4.744 10.968 ( 2.808 -1.202 0.739) 3.142 12.058 ( 1.121 -3.943 -1.032) 4.227======================= Grid point 1578 (520/670) =======================q-point: ( 0.74 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.149 ( -4.213 10.522 0.566) 11.348 4.241 ( 4.678 4.815 1.588) 6.899 5.199 ( 2.856 -1.155 -0.415) 3.109 9.764 ( -3.380 8.580 -0.884) 9.264 10.317 ( -2.313 2.745 0.940) 3.710 10.412 ( -2.690 -4.354 1.030) 5.221 10.955 ( 2.456 -2.256 -0.792) 3.428 11.013 ( 2.579 -1.257 0.635) 2.938 12.047 ( 2.307 -3.647 -0.939) 4.417======================= Grid point 1579 (521/670) =======================q-point: (-0.21 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.152 ( -6.967 9.135 0.585) 11.504 4.274 ( -3.796 -0.505 1.454) 4.096 5.205 ( 0.262 -2.791 -0.436) 2.837 9.766 ( -5.448 7.542 -0.885) 9.346 10.317 ( -1.355 3.086 0.922) 3.495 10.379 ( 1.848 -1.602 1.107) 2.684 10.944 ( -0.181 -3.751 -0.554) 3.796 11.022 ( 0.609 -2.408 0.421) 2.519 12.058 ( 3.248 -3.106 -0.954) 4.595======================= Grid point 1590 (522/670) =======================q-point: ( 0.37 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( -0.000 26.632 -0.178) 26.633 2.062 ( 0.000 29.812 1.012) 29.829 3.039 ( 0.000 43.589 0.017) 43.589 9.028 ( -0.000 6.093 -0.686) 6.132 9.442 ( -0.000 17.110 -0.107) 17.110 10.549 ( 0.000 -2.632 0.412) 2.664 10.606 ( 0.000 -0.308 0.675) 0.742 12.345 ( -0.000 -3.271 -1.091) 3.448 12.540 ( 0.000 -16.910 0.840) 16.931======================= Grid point 1591 (523/670) =======================q-point: ( 0.42 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( 5.611 29.660 -1.378) 30.217 2.441 ( 10.801 27.799 0.693) 29.831 3.496 ( 6.646 37.227 -0.308) 37.817 9.112 ( 2.898 6.547 -0.588) 7.184 9.640 ( 3.431 17.197 0.178) 17.537 10.521 ( -0.295 -2.633 0.391) 2.678 10.605 ( -0.212 0.132 0.722) 0.764 12.284 ( -2.567 -9.700 0.336) 10.040 12.350 ( -3.051 -11.873 -0.644) 12.276======================= Grid point 1592 (524/670) =======================q-point: ( 0.47 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 10.816 30.159 -1.793) 32.090 2.927 ( 15.052 25.833 0.542) 29.903 3.947 ( 9.317 27.630 -0.598) 29.164 9.242 ( 4.714 7.110 -0.598) 8.551 9.880 ( 5.875 15.682 0.545) 16.756 10.496 ( -0.139 -1.718 0.426) 1.775 10.606 ( -0.249 0.408 0.675) 0.827 12.027 ( -8.222 -18.579 1.142) 20.349 12.262 ( -1.740 -3.400 -1.481) 4.096======================= Grid point 1593 (525/670) =======================q-point: ( 0.53 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.535 ( 14.623 28.155 -1.528) 31.763 3.415 ( 13.413 24.392 0.491) 27.841 4.326 ( 10.210 17.203 -0.745) 20.018 9.397 ( 5.140 7.947 -0.662) 9.488 10.132 ( 7.211 12.884 0.870) 14.790 10.486 ( -0.524 0.108 0.530) 0.754 10.614 ( 0.894 0.250 0.493) 1.051 11.694 ( -10.494 -17.898 0.986) 20.771 12.194 ( -1.977 -3.562 -1.342) 4.289======================= Grid point 1594 (526/670) =======================q-point: ( 0.58 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.048 ( 16.300 24.303 -0.870) 29.276 3.826 ( 8.016 22.398 0.435) 23.793 4.619 ( 10.590 8.489 -0.695) 13.590 9.557 ( 4.301 8.988 -0.720) 9.990 10.364 ( 7.156 9.111 1.100) 11.637 10.476 ( -2.177 1.932 0.701) 2.994 10.652 ( 3.614 -0.042 0.173) 3.618 11.350 ( -10.882 -15.855 0.776) 19.246 12.121 ( -1.752 -4.044 -1.190) 4.565======================= Grid point 1595 (527/670) =======================q-point: ( 0.63 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.528 ( 15.574 19.284 -0.069) 24.787 4.107 ( 1.961 18.158 0.303) 18.266 4.850 ( 10.088 4.096 -0.460) 10.897 9.705 ( 2.511 10.013 -0.733) 10.349 10.451 ( -3.387 2.717 0.836) 4.422 10.539 ( 4.611 3.971 1.272) 6.217 10.730 ( 5.502 -0.184 -0.184) 5.508 11.050 ( -8.137 -11.838 0.442) 14.371 12.053 ( -0.977 -4.492 -1.014) 4.708======================= Grid point 1596 (528/670) =======================q-point: ( 0.68 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.926 ( 12.444 13.658 0.658) 18.488 4.254 ( -1.620 12.499 0.160) 12.604 5.033 ( 7.353 3.492 -0.195) 8.142 9.826 ( 0.149 10.761 -0.688) 10.784 10.420 ( -3.619 2.848 0.915) 4.696 10.555 ( -3.434 -4.404 1.156) 5.703 10.817 ( 5.292 -1.058 -0.750) 5.449 10.912 ( 1.128 -3.534 0.532) 3.747 12.000 ( 0.254 -4.693 -0.849) 4.776======================= Grid point 1597 (529/670) =======================q-point: ( 0.74 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.198 ( 6.978 7.929 1.076) 10.617 4.314 ( -2.702 8.345 0.095) 8.772 5.155 ( 3.157 3.345 -0.043) 4.600 9.911 ( -2.519 11.020 -0.603) 11.320 10.386 ( -3.344 -0.107 1.144) 3.536 10.432 ( -4.079 -2.723 0.434) 4.924 10.877 ( 3.892 -2.251 -0.757) 4.559 10.946 ( 3.675 -1.856 0.647) 4.168 11.969 ( 1.720 -4.525 -0.756) 4.900======================= Grid point 1598 (530/670) =======================q-point: (-0.21 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.305 ( -1.099 3.742 0.775) 3.976 4.340 ( -2.518 5.596 0.325) 6.145 5.199 ( -0.884 1.826 -0.019) 2.029 9.947 ( -5.563 10.365 -0.570) 11.777 10.323 ( 0.042 -3.570 0.930) 3.689 10.398 ( -2.284 3.347 0.659) 4.105 10.893 ( 1.600 -3.666 -0.519) 4.034 10.974 ( 2.174 -3.054 0.445) 3.775 11.966 ( 3.110 -3.986 -0.786) 5.117======================= Grid point 1610 (531/670) =======================q-point: ( 0.42 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( -0.000 32.125 -2.235) 32.202 2.608 ( 0.000 26.192 0.350) 26.194 3.803 ( -0.000 35.318 -0.369) 35.320 9.149 ( -0.000 6.653 -0.349) 6.662 9.783 ( 0.000 17.734 0.234) 17.735 10.494 ( 0.000 -3.188 0.268) 3.200 10.616 ( 0.000 1.094 0.850) 1.385 12.168 ( 0.000 -18.950 1.176) 18.987 12.296 ( -0.000 -3.906 -1.514) 4.189======================= Grid point 1611 (532/670) =======================q-point: ( 0.47 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 4.612 32.629 -2.600) 33.056 2.942 ( 10.355 23.688 0.147) 25.853 4.137 ( 2.089 29.145 -0.481) 29.224 9.240 ( 3.108 6.747 -0.239) 7.432 9.972 ( 2.303 16.733 0.429) 16.896 10.468 ( 0.561 -2.946 0.204) 3.006 10.629 ( -0.614 1.943 0.891) 2.224 11.945 ( -4.027 -20.044 0.968) 20.467 12.251 ( -1.093 -3.052 -1.331) 3.505======================= Grid point 1612 (533/670) =======================q-point: ( 0.53 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.624 ( 8.412 30.907 -2.385) 32.120 3.383 ( 15.523 20.993 0.060) 26.109 4.416 ( 2.116 21.146 -0.529) 21.258 9.378 ( 5.374 7.121 -0.240) 8.924 10.176 ( 3.688 14.371 0.669) 14.852 10.463 ( 1.685 -1.943 0.150) 2.576 10.637 ( -1.282 2.491 0.867) 2.932 11.663 ( -7.015 -19.214 0.770) 20.469 12.191 ( -2.024 -3.191 -1.159) 3.952======================= Grid point 1613 (534/670) =======================q-point: ( 0.58 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.065 ( 11.020 27.236 -1.743) 29.432 3.834 ( 14.692 18.375 0.023) 23.527 4.615 ( 2.317 13.345 -0.461) 13.553 9.549 ( 6.234 7.942 -0.304) 10.101 10.368 ( 4.181 10.784 0.888) 11.601 10.487 ( 2.267 -0.479 0.145) 2.322 10.641 ( -1.129 2.484 0.734) 2.825 11.356 ( -8.573 -17.112 0.521) 19.147 12.117 ( -2.502 -3.624 -0.977) 4.511======================= Grid point 1614 (535/670) =======================q-point: ( 0.63 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.496 ( 11.947 22.211 -0.900) 25.237 4.192 ( 8.011 14.283 -0.063) 16.377 4.774 ( 5.084 8.668 -0.243) 10.052 9.731 ( 5.535 9.131 -0.375) 10.684 10.512 ( 0.743 2.777 0.662) 2.950 10.520 ( 2.587 4.105 0.813) 4.919 10.664 ( 1.736 1.524 0.294) 2.329 11.065 ( -8.011 -13.331 0.157) 15.553 12.036 ( -2.287 -4.118 -0.779) 4.774======================= Grid point 1615 (536/670) =======================q-point: ( 0.68 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.875 ( 10.875 16.481 -0.075) 19.746 4.363 ( 0.694 7.423 -0.187) 7.458 4.967 ( 7.334 8.969 0.032) 11.586 9.901 ( 3.456 10.331 -0.393) 10.901 10.505 ( -2.914 1.877 0.857) 3.570 10.564 ( -1.271 -2.566 0.910) 3.005 10.725 ( 4.127 0.056 -0.377) 4.144 10.875 ( -2.121 -5.505 0.042) 5.900 11.961 ( -1.337 -4.424 -0.595) 4.660======================= Grid point 1616 (537/670) =======================q-point: ( 0.74 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.165 ( 7.687 10.638 0.509) 13.135 4.398 ( -1.122 2.618 -0.228) 2.857 5.159 ( 4.172 9.227 0.171) 10.128 10.037 ( 0.543 10.926 -0.277) 10.943 10.428 ( -5.054 -5.286 0.877) 7.366 10.496 ( -3.194 1.580 0.169) 3.568 10.788 ( 4.013 -1.305 -0.592) 4.261 10.867 ( 3.112 -2.278 0.492) 3.888 11.907 ( 0.167 -4.353 -0.487) 4.384======================= Grid point 1617 (538/670) =======================q-point: ( 0.79 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.330 ( 2.420 5.200 0.619) 5.769 4.399 ( -0.337 1.045 -0.230) 1.122 5.269 ( -1.066 7.624 0.221) 7.702 10.125 ( -2.554 10.566 0.047) 10.871 10.307 ( -3.254 -4.076 0.170) 5.218 10.473 ( -2.492 2.955 0.439) 3.890 10.823 ( 2.587 -2.732 -0.416) 3.785 10.895 ( 3.262 -3.811 0.430) 5.035 11.883 ( 1.889 -3.851 -0.512) 4.320======================= Grid point 1630 (539/670) =======================q-point: ( 0.47 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.488 ( -0.000 33.200 -3.071) 33.342 3.071 ( -0.000 21.506 -0.109) 21.507 4.393 ( -0.000 25.915 -0.459) 25.919 9.275 ( 0.000 6.353 -0.004) 6.353 10.116 ( 0.000 16.228 0.466) 16.234 10.432 ( 0.000 -3.324 0.083) 3.325 10.662 ( 0.000 3.209 0.985) 3.357 11.785 ( 0.000 -20.343 0.739) 20.356 12.230 ( -0.000 -2.718 -1.139) 2.947======================= Grid point 1631 (540/670) =======================q-point: ( 0.53 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.824 ( 3.425 31.765 -3.037) 32.093 3.351 ( 9.870 18.601 -0.242) 21.059 4.613 ( -0.650 20.422 -0.416) 20.437 9.365 ( 3.500 6.160 0.102) 7.086 10.278 ( 1.275 14.330 0.593) 14.399 10.412 ( 1.350 -2.915 -0.019) 3.212 10.692 ( -1.015 4.072 1.013) 4.317 11.564 ( -3.375 -19.359 0.479) 19.657 12.190 ( -1.374 -2.640 -0.935) 3.120======================= Grid point 1632 (541/670) =======================q-point: ( 0.58 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.188 ( 6.009 28.448 -2.546) 29.187 3.732 ( 15.257 15.153 -0.277) 21.505 4.758 ( -1.970 14.689 -0.311) 14.824 9.509 ( 6.343 6.375 0.102) 8.993 10.421 ( 2.660 0.331 -0.039) 2.681 10.432 ( 2.036 8.648 0.664) 8.909 10.710 ( -2.111 4.438 1.002) 5.016 11.311 ( -5.709 -16.983 0.150) 17.917 12.127 ( -2.620 -2.840 -0.718) 3.930======================= Grid point 1633 (542/670) =======================q-point: ( 0.63 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.551 ( 7.667 23.664 -1.759) 24.937 4.115 ( 14.246 10.721 -0.260) 17.831 4.846 ( -1.284 10.883 -0.156) 10.960 9.695 ( 7.803 7.071 0.033) 10.530 10.466 ( 3.995 -1.400 -0.268) 4.241 10.543 ( 1.120 5.830 1.011) 6.022 10.714 ( -2.657 4.261 0.933) 5.108 11.061 ( -6.495 -12.513 -0.308) 14.102 12.046 ( -3.278 -3.187 -0.494) 4.598======================= Grid point 1634 (543/670) =======================q-point: ( 0.68 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.882 ( 8.056 18.021 -0.889) 19.760 4.363 ( 5.918 4.248 -0.206) 7.287 4.968 ( 4.145 10.928 -0.015) 11.688 9.898 ( 7.451 8.094 -0.060) 11.002 10.515 ( 2.914 -1.037 -0.322) 3.110 10.561 ( -1.651 -2.989 1.280) 3.646 10.717 ( -1.402 3.347 0.535) 3.667 10.881 ( -4.226 -4.212 -0.601) 5.997 11.959 ( -3.041 -3.448 -0.294) 4.607======================= Grid point 1635 (544/670) =======================q-point: ( 0.74 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.154 ( 6.836 12.183 -0.160) 13.970 4.416 ( -0.139 -0.292 -0.132) 0.349 5.173 ( 6.239 10.881 0.054) 12.543 10.087 ( 4.979 8.596 -0.090) 9.934 10.452 ( -3.759 -6.475 0.507) 7.504 10.539 ( -0.017 0.009 0.040) 0.044 10.738 ( 1.003 1.422 -0.030) 1.740 10.825 ( -0.713 -0.926 -0.057) 1.170 11.882 ( -1.904 -3.394 -0.170) 3.895======================= Grid point 1636 (545/670) =======================q-point: ( 0.79 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.337 ( 3.788 6.784 0.204) 7.772 4.396 ( -0.376 -1.524 -0.120) 1.574 5.346 ( 2.319 8.838 0.111) 9.138 10.200 ( 0.650 2.990 0.304) 3.075 10.366 ( -2.787 2.357 -0.243) 3.659 10.529 ( -1.358 0.982 0.104) 1.679 10.767 ( 1.559 -0.547 -0.147) 1.659 10.810 ( 1.559 -3.959 0.223) 4.261 11.833 ( -0.155 -2.913 -0.176) 2.923======================= Grid point 1650 (546/670) =======================q-point: ( 0.53 0.53 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.092 ( -0.000 30.643 -3.250) 30.815 3.434 ( -0.000 16.208 -0.442) 16.214 4.802 ( -0.000 16.941 -0.312) 16.944 9.390 ( 0.000 5.405 0.315) 5.414 10.370 ( -0.000 -2.980 -0.140) 2.984 10.403 ( 0.000 12.724 0.629) 12.739 10.749 ( 0.000 4.984 1.070) 5.098 11.410 ( 0.000 -18.124 0.129) 18.125 12.177 ( -0.000 -2.224 -0.686) 2.328======================= Grid point 1651 (547/670) =======================q-point: ( 0.58 0.53 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.386 ( 2.280 27.684 -3.008) 27.940 3.656 ( 9.209 13.172 -0.514) 16.080 4.929 ( -1.986 12.733 -0.178) 12.888 9.475 ( 4.013 5.018 0.405) 6.438 10.358 ( 1.858 -2.486 -0.269) 3.116 10.517 ( 0.373 9.414 0.736) 9.451 10.791 ( -1.343 5.203 1.094) 5.484 11.224 ( -2.701 -15.110 -0.301) 15.352 12.140 ( -1.746 -2.072 -0.427) 2.743======================= Grid point 1652 (548/670) =======================q-point: ( 0.63 0.53 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.678 ( 3.897 23.219 -2.406) 23.666 3.966 ( 13.924 9.477 -0.451) 16.849 4.987 ( -3.200 9.350 -0.049) 9.882 9.622 ( 7.457 5.073 0.392) 9.027 10.382 ( 3.600 -1.879 -0.414) 4.082 10.586 ( -0.306 3.266 0.897) 3.401 10.808 ( -2.660 4.756 1.090) 5.557 11.043 ( -4.178 -9.078 -0.812) 10.026 12.076 ( -3.294 -2.131 -0.174) 3.927======================= Grid point 1653 (549/670) =======================q-point: ( 0.68 0.53 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.945 ( 4.907 17.790 -1.603) 18.524 4.258 ( 11.227 4.741 -0.248) 12.189 5.032 ( -0.410 8.205 -0.022) 8.215 9.818 ( 9.494 5.497 0.295) 10.975 10.433 ( 4.383 -1.555 -0.600) 4.689 10.557 ( -2.274 -5.317 0.909) 5.854 10.802 ( -3.360 4.057 0.876) 5.340 10.925 ( -3.889 -0.716 -0.933) 4.063 11.992 ( -4.080 -2.213 0.040) 4.642======================= Grid point 1654 (550/670) =======================q-point: ( 0.74 0.53 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.171 ( 5.048 12.048 -0.808) 13.087 4.397 ( 2.761 0.288 0.036) 2.777 5.160 ( 5.929 8.267 -0.113) 10.174 10.036 ( 9.341 5.988 0.105) 11.096 10.433 ( -2.483 -7.393 -0.113) 7.799 10.497 ( 3.237 -1.622 0.045) 3.621 10.783 ( -2.977 2.870 0.499) 4.165 10.871 ( -3.679 1.544 -0.521) 4.023 11.904 ( -3.774 -2.086 0.171) 4.316======================= Grid point 1670 (551/670) =======================q-point: ( 0.58 0.58 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.617 ( -0.000 25.084 -3.028) 25.266 3.692 ( -0.000 10.876 -0.690) 10.897 5.056 ( 0.000 9.776 -0.013) 9.777 9.485 ( 0.000 4.062 0.591) 4.105 10.317 ( -0.000 -2.266 -0.390) 2.300 10.591 ( 0.000 5.276 0.745) 5.328 10.856 ( 0.000 5.143 1.154) 5.271 11.117 ( -0.000 -10.738 -0.797) 10.767 12.138 ( -0.000 -1.534 -0.126) 1.539======================= Grid point 1671 (552/670) =======================q-point: ( 0.63 0.58 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.840 ( 2.388 18.454 -2.406) 18.763 3.860 ( 7.400 10.542 -0.974) 12.916 5.116 ( -2.352 7.024 0.137) 7.408 9.561 ( 4.554 3.549 0.660) 5.811 10.314 ( 2.106 -1.771 -0.522) 2.801 10.608 ( -0.731 -1.633 0.631) 1.897 10.893 ( -1.574 4.439 1.155) 4.849 11.028 ( -1.771 -3.496 -1.133) 4.080 12.107 ( -2.108 -1.247 0.156) 2.454======================= Grid point 1672 (553/670) =======================q-point: ( 0.68 0.58 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.042 ( 2.722 15.156 -2.034) 15.532 4.102 ( 11.790 5.445 -0.543) 12.998 5.127 ( -2.790 5.221 0.176) 5.922 9.707 ( 8.504 3.385 0.619) 9.174 10.348 ( 3.757 -1.315 -0.669) 4.036 10.539 ( -2.320 -6.662 0.248) 7.059 10.897 ( -2.930 3.631 0.943) 4.760 10.983 ( -2.598 1.641 -0.942) 3.215 12.045 ( -3.886 -1.081 0.383) 4.052======================= Grid point 1673 (554/670) =======================q-point: (-0.26 -0.42 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.208 ( 3.106 9.968 -1.321) 10.524 4.315 ( 8.323 1.820 -0.121) 8.520 5.155 ( 1.484 4.426 -0.001) 4.668 9.906 ( 10.958 3.336 0.463) 11.463 10.395 ( 1.652 -2.916 -1.062) 3.516 10.433 ( -0.538 -4.837 0.215) 4.872 10.871 ( -3.813 2.346 0.656) 4.525 10.951 ( -3.510 2.155 -0.615) 4.165 11.964 ( -4.709 -0.824 0.511) 4.808======================= Grid point 1690 (555/670) =======================q-point: ( 0.63 0.63 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.850 ( -0.000 6.036 -0.877) 6.099 4.011 ( -0.000 17.047 -2.585) 17.242 5.195 ( 0.000 4.896 0.327) 4.907 9.553 ( 0.000 2.534 0.819) 2.663 10.279 ( -0.000 -1.399 -0.633) 1.536 10.579 ( 0.000 -5.570 0.126) 5.571 10.949 ( 0.000 3.681 1.105) 3.844 11.029 ( -0.000 0.984 -1.088) 1.467 12.117 ( 0.000 -0.638 0.459) 0.786======================= Grid point 1691 (556/670) =======================q-point: (-0.32 -0.37 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.964 ( 7.839 3.712 -0.848) 8.715 4.152 ( 0.735 12.011 -2.210) 12.234 5.214 ( -2.301 3.207 0.428) 3.971 9.618 ( 5.000 1.906 0.861) 5.420 10.284 ( 2.175 -0.952 -0.745) 2.489 10.508 ( -1.428 -6.173 -0.383) 6.348 10.969 ( -1.634 2.638 0.926) 3.239 11.032 ( -1.272 2.132 -0.838) 2.620 12.095 ( -2.382 -0.238 0.687) 2.490======================= Grid point 1692 (557/670) =======================q-point: (-0.26 -0.37 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.154 ( 11.015 1.587 -0.569) 11.143 4.254 ( 1.583 6.421 -1.653) 6.817 5.196 ( -2.278 1.887 0.339) 2.977 9.757 ( 9.225 1.355 0.786) 9.357 10.325 ( 3.588 -0.607 -0.881) 3.744 10.419 ( -2.564 -4.433 -0.650) 5.162 10.949 ( -3.129 1.108 0.703) 3.393 11.018 ( -2.415 1.491 -0.599) 2.901 12.040 ( -4.260 0.139 0.803) 4.337======================= Grid point 1710 (558/670) =======================q-point: (-0.32 -0.32 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.920 ( -0.000 1.850 -1.010) 2.108 4.234 ( -0.000 7.117 -2.136) 7.430 5.260 ( 0.000 1.753 0.600) 1.853 9.591 ( 0.000 0.942 0.992) 1.368 10.256 ( -0.000 -0.539 -0.824) 0.984 10.467 ( -0.000 -4.352 -0.846) 4.433 11.004 ( 0.000 1.225 0.842) 1.486 11.059 ( -0.000 1.437 -0.703) 1.600 12.118 ( 0.000 0.315 0.904) 0.957======================= Grid point 1711 (559/670) =======================q-point: (-0.26 -0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.993 ( 7.756 -0.059 -0.926) 7.811 4.274 ( 0.448 1.651 -1.868) 2.533 5.251 ( -2.304 0.456 0.618) 2.428 9.644 ( 5.190 0.156 1.002) 5.288 10.269 ( 2.170 -0.116 -0.887) 2.347 10.421 ( -1.501 -1.834 -1.095) 2.611 10.996 ( -1.723 -0.458 0.694) 1.913 11.055 ( -1.195 0.349 -0.547) 1.359 12.105 ( -2.501 0.738 0.996) 2.791======================= Grid point 1730 (560/670) =======================q-point: (-0.26 -0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.912 ( -0.000 -2.032 -1.087) 2.304 4.255 ( -0.000 -3.818 -1.908) 4.268 5.273 ( 0.000 -0.815 0.729) 1.094 9.600 ( 0.000 -0.669 1.097) 1.285 10.249 ( -0.000 0.320 -0.915) 0.969 10.426 ( -0.000 0.758 -1.255) 1.466 11.000 ( 0.000 -2.106 0.619) 2.195 11.062 ( -0.000 -0.677 -0.456) 0.816 12.138 ( 0.000 1.108 1.059) 1.533======================= Grid point 1911 (561/670) =======================q-point: ( 0.26 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.438 ( 0.000 -0.000 8.005) 8.005 0.438 ( 0.000 -0.000 8.005) 8.005 0.624 ( 0.000 -0.000 11.388) 11.388 8.842 ( -0.000 0.000 -1.105) 1.105 8.842 ( -0.000 0.000 -1.105) 1.105 10.622 ( 0.000 -0.000 0.568) 0.568 10.622 ( 0.000 -0.000 0.568) 0.568 12.462 ( -0.000 0.000 -1.115) 1.115 13.090 ( 0.000 -0.000 0.966) 0.966======================= Grid point 1912 (562/670) =======================q-point: ( 0.32 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( 3.050 1.761 9.254) 9.902 0.809 ( 25.186 14.541 4.338) 29.404 1.186 ( 43.218 24.952 2.308) 49.957 8.871 ( 2.568 1.483 -1.126) 3.172 8.911 ( 6.585 3.802 -0.863) 7.653 10.613 ( -0.908 -0.524 0.568) 1.193 10.626 ( -0.009 -0.005 0.378) 0.379 12.444 ( -1.249 -0.721 -1.129) 1.832 13.021 ( -6.193 -3.576 1.144) 7.242======================= Grid point 1913 (563/670) =======================q-point: ( 0.37 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.841 ( 11.939 6.893 4.574) 14.525 1.417 ( 27.356 15.794 2.483) 31.686 2.160 ( 42.603 24.597 0.459) 49.196 8.947 ( 4.417 2.550 -1.162) 5.230 9.119 ( 11.845 6.839 -0.305) 13.681 10.585 ( -1.721 -0.994 0.572) 2.068 10.622 ( -0.332 -0.192 0.387) 0.545 12.403 ( -2.076 -1.199 -1.203) 2.682 12.828 ( -11.192 -6.462 1.117) 12.972======================= Grid point 1914 (564/670) =======================q-point: ( 0.42 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 21.664 12.508 1.124) 25.041 2.019 ( 25.761 14.873 1.775) 29.799 3.059 ( 37.595 21.706 -0.388) 43.413 9.056 ( 5.559 3.209 -1.199) 6.530 9.420 ( 14.783 8.535 0.300) 17.073 10.540 ( -2.436 -1.406 0.589) 2.874 10.618 ( 0.021 0.012 0.438) 0.439 12.346 ( -2.824 -1.630 -1.121) 3.448 12.538 ( -14.695 -8.484 0.886) 16.991======================= Grid point 1915 (565/670) =======================q-point: ( 0.47 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( 27.026 15.604 -0.086) 31.207 2.566 ( 22.692 13.102 1.457) 26.243 3.820 ( 30.485 17.600 -0.835) 35.211 9.182 ( 5.912 3.413 -1.222) 6.935 9.763 ( 15.456 8.924 0.780) 17.864 10.481 ( -2.923 -1.687 0.624) 3.432 10.632 ( 1.255 0.725 0.409) 1.506 12.159 ( -16.564 -9.563 1.239) 19.167 12.303 ( -3.291 -1.900 -1.548) 4.103======================= Grid point 1916 (566/670) =======================q-point: ( 0.53 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.405 ( 28.273 16.323 -0.092) 32.647 3.032 ( 18.662 10.774 1.305) 21.588 4.407 ( 22.391 12.928 -1.018) 25.875 9.308 ( 5.562 3.211 -1.222) 6.538 10.100 ( 14.231 8.217 1.079) 16.468 10.416 ( -3.040 -1.755 0.681) 3.576 10.681 ( 3.067 1.771 0.284) 3.552 11.771 ( -17.800 -10.277 1.159) 20.586 12.241 ( -2.274 -1.313 -1.498) 3.023======================= Grid point 1917 (567/670) =======================q-point: ( 0.58 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.019 ( 26.274 15.170 0.415) 30.342 3.401 ( 14.079 8.128 1.223) 16.302 4.816 ( 14.665 8.467 -1.012) 16.964 9.420 ( 4.697 2.712 -1.199) 5.554 10.353 ( -2.728 -1.575 0.751) 3.238 10.391 ( 11.194 6.463 1.242) 12.986 10.768 ( 4.585 2.647 0.079) 5.295 11.392 ( -15.969 -9.220 0.984) 18.466 12.192 ( -1.820 -1.051 -1.399) 2.525======================= Grid point 1918 (568/670) =======================q-point: ( 0.63 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.560 ( 21.636 12.491 1.099) 25.007 3.667 ( 9.449 5.455 1.166) 10.973 5.068 ( 8.490 4.902 -0.903) 9.845 9.509 ( 3.523 2.034 -1.161) 4.230 10.301 ( -2.073 -1.197 0.824) 2.532 10.581 ( 4.568 2.637 1.447) 5.470 10.876 ( 4.838 2.793 -0.239) 5.591 11.096 ( -9.656 -5.575 0.639) 11.168 12.154 ( -1.219 -0.704 -1.265) 1.893======================= Grid point 1919 (569/670) =======================q-point: ( 0.68 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.833 ( 5.240 3.025 1.120) 6.153 3.974 ( 14.798 8.544 1.718) 17.174 5.204 ( 4.272 2.466 -0.779) 4.994 9.569 ( 2.201 1.271 -1.123) 2.779 10.266 ( -1.273 -0.735 0.883) 1.715 10.568 ( -5.007 -2.891 1.448) 5.960 10.968 ( 3.163 1.826 -0.998) 3.786 11.011 ( 0.989 0.571 0.877) 1.440 12.131 ( -0.471 -0.272 -1.128) 1.252======================= Grid point 1920 (570/670) =======================q-point: ( 0.74 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.911 ( 1.602 0.925 1.091) 2.147 4.216 ( 6.229 3.597 2.041) 7.477 5.265 ( 1.539 0.888 -0.709) 1.913 9.600 ( 0.823 0.475 -1.099) 1.453 10.249 ( -0.484 -0.279 0.917) 1.073 10.458 ( -3.850 -2.223 1.194) 4.603 11.011 ( 0.945 0.546 -0.888) 1.407 11.053 ( 1.371 0.791 0.703) 1.732 12.126 ( 0.305 0.176 -1.046) 1.104======================= Grid point 1931 (571/670) =======================q-point: ( 0.32 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( 0.000 4.016 8.517) 9.416 0.858 ( 0.000 29.297 3.631) 29.522 1.168 ( 0.000 49.281 2.554) 49.348 8.856 ( -0.000 2.374 -0.971) 2.565 8.920 ( -0.000 8.194 -0.958) 8.250 10.617 ( 0.000 -0.886 0.515) 1.025 10.624 ( 0.000 -0.212 0.422) 0.473 12.441 ( -0.000 -1.465 -1.087) 1.824 13.024 ( 0.000 -7.113 1.082) 7.195======================= Grid point 1932 (572/670) =======================q-point: ( 0.37 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( 4.320 9.587 5.210) 11.735 1.293 ( 14.684 29.087 2.393) 32.672 1.886 ( 25.569 42.093 0.893) 49.259 8.910 ( 2.970 3.450 -0.965) 4.653 9.059 ( 5.563 11.185 -0.567) 12.505 10.599 ( -1.016 -1.299 0.515) 1.728 10.622 ( -0.003 -0.532 0.392) 0.660 12.411 ( -1.104 -1.936 -1.109) 2.489 12.895 ( -5.759 -9.935 1.057) 11.532======================= Grid point 1933 (573/670) =======================q-point: ( 0.42 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( 12.981 16.695 1.782) 21.222 1.856 ( 18.670 26.471 1.738) 32.439 2.731 ( 30.704 32.509 -0.114) 44.717 9.008 ( 4.375 4.533 -1.048) 6.387 9.309 ( 10.316 12.356 0.042) 16.096 10.563 ( -1.755 -1.605 0.544) 2.440 10.617 ( -0.023 -0.519 0.398) 0.654 12.363 ( -1.871 -2.263 -1.092) 3.133 12.654 ( -10.424 -11.997 0.912) 15.919======================= Grid point 1934 (574/670) =======================q-point: ( 0.47 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 20.549 20.508 0.200) 29.032 2.413 ( 17.867 23.966 1.416) 29.927 3.508 ( 29.077 23.968 -0.652) 37.688 9.132 ( 4.917 5.329 -1.115) 7.336 9.625 ( 12.893 12.036 0.566) 17.647 10.514 ( -2.437 -1.527 0.588) 2.935 10.619 ( 0.725 -0.164 0.353) 0.823 12.283 ( -6.927 -6.830 0.346) 9.734 12.348 ( -9.021 -8.834 -0.607) 12.641======================= Grid point 1935 (575/670) =======================q-point: ( 0.53 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 24.470 21.058 0.010) 32.283 2.912 ( 14.953 21.262 1.251) 26.023 4.148 ( 24.208 16.217 -0.889) 29.152 9.264 ( 4.680 5.763 -1.145) 7.512 9.960 ( 13.346 10.654 0.897) 17.101 10.457 ( -3.035 -1.058 0.643) 3.278 10.646 ( 2.386 0.503 0.227) 2.449 11.940 ( -15.542 -13.529 1.130) 20.636 12.254 ( -2.003 -2.478 -1.409) 3.484======================= Grid point 1936 (576/670) =======================q-point: ( 0.58 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.755 ( 24.912 19.410 0.442) 31.584 3.324 ( 10.985 18.169 1.154) 21.263 4.623 ( 18.013 9.577 -0.914) 20.421 9.389 ( 3.790 5.908 -1.138) 7.111 10.270 ( 11.919 8.454 1.041) 14.649 10.398 ( -3.332 -0.386 0.707) 3.428 10.712 ( 4.329 1.253 0.024) 4.507 11.553 ( -15.361 -12.682 0.997) 19.944 12.197 ( -1.482 -2.496 -1.281) 3.173======================= Grid point 1937 (577/670) =======================q-point: ( 0.63 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.330 ( 22.387 16.215 1.080) 27.663 3.634 ( 6.692 14.814 1.080) 16.291 4.937 ( 12.058 4.595 -0.814) 12.930 9.496 ( 2.449 5.848 -1.102) 6.435 10.344 ( -3.178 0.276 0.775) 3.282 10.512 ( 8.119 5.155 1.095) 9.679 10.810 ( 5.466 1.574 -0.257) 5.694 11.208 ( -12.148 -10.071 0.815) 15.801 12.150 ( -0.789 -2.523 -1.148) 2.882======================= Grid point 1938 (578/670) =======================q-point: ( 0.68 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.804 ( 16.677 11.723 1.612) 20.449 3.843 ( 3.312 11.714 1.073) 12.221 5.123 ( 7.324 1.423 -0.684) 7.493 9.576 ( 0.862 5.633 -1.055) 5.795 10.303 ( -2.648 0.885 0.834) 2.914 10.603 ( -1.164 -1.485 1.163) 2.217 10.911 ( 4.862 0.950 -0.814) 5.020 11.010 ( -2.350 -3.347 0.820) 4.171 12.117 ( 0.094 -2.425 -1.023) 2.633======================= Grid point 1939 (579/670) =======================q-point: ( 0.74 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.956 ( -0.754 8.747 0.951) 8.831 4.134 ( 10.035 6.796 2.000) 12.283 5.218 ( 3.981 -0.426 -0.604) 4.049 9.626 ( -0.814 5.242 -1.016) 5.401 10.278 ( -1.935 1.387 0.875) 2.536 10.502 ( -4.772 -4.367 0.999) 6.545 10.977 ( 2.996 -0.205 -1.009) 3.168 11.025 ( 2.620 0.086 0.868) 2.762 12.102 ( 1.051 -2.171 -0.958) 2.596======================= Grid point 1951 (580/670) =======================q-point: ( 0.37 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( 0.000 14.404 3.319) 14.781 1.470 ( 0.000 31.447 1.515) 31.484 2.141 ( 0.000 49.006 0.829) 49.013 8.920 ( -0.000 4.653 -0.691) 4.704 9.135 ( -0.000 14.111 -0.601) 14.124 10.594 ( 0.000 -1.827 0.408) 1.872 10.618 ( 0.000 -0.593 0.488) 0.768 12.396 ( -0.000 -2.452 -1.057) 2.670 12.835 ( 0.000 -12.893 0.964) 12.929======================= Grid point 1952 (581/670) =======================q-point: ( 0.42 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 5.742 20.867 0.903) 21.661 1.881 ( 11.776 30.013 1.070) 32.258 2.720 ( 13.699 42.491 0.187) 44.645 8.993 ( 2.807 5.481 -0.636) 6.191 9.319 ( 4.673 15.566 -0.240) 16.254 10.568 ( -0.817 -2.101 0.400) 2.289 10.613 ( -0.047 -0.581 0.505) 0.771 12.360 ( -0.994 -2.771 -0.990) 3.105 12.657 ( -5.235 -14.999 0.813) 15.907======================= Grid point 1953 (582/670) =======================q-point: ( 0.47 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 12.758 25.048 -0.410) 28.112 2.401 ( 15.348 28.243 0.920) 32.157 3.363 ( 19.021 32.159 -0.370) 37.365 9.109 ( 4.314 6.291 -0.721) 7.662 9.579 ( 8.291 15.192 0.253) 17.309 10.532 ( -1.331 -1.813 0.459) 2.295 10.609 ( 0.130 -0.441 0.433) 0.632 12.301 ( -2.601 -4.504 -0.352) 5.213 12.389 ( -8.501 -14.673 0.113) 16.958======================= Grid point 1954 (583/670) =======================q-point: ( 0.53 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( 18.242 25.729 -0.538) 31.544 2.918 ( 13.823 26.612 0.876) 30.001 3.949 ( 19.610 21.526 -0.679) 29.127 9.248 ( 4.619 7.109 -0.824) 8.517 9.877 ( 10.304 13.378 0.641) 16.899 10.493 ( -1.936 -0.809 0.551) 2.169 10.616 ( 1.219 -0.250 0.269) 1.274 12.031 ( -12.196 -16.387 1.050) 20.455 12.255 ( -1.952 -3.222 -1.300) 3.985======================= Grid point 1955 (584/670) =======================q-point: ( 0.58 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.578 ( 20.927 23.808 -0.041) 31.698 3.368 ( 9.907 24.395 0.845) 26.343 4.420 ( 17.371 12.250 -0.752) 21.269 9.391 ( 3.966 7.841 -0.885) 8.832 10.173 ( 10.567 10.656 0.836) 15.030 10.453 ( -2.816 0.459 0.650) 2.926 10.653 ( 3.293 0.100 0.028) 3.295 11.661 ( -13.401 -15.677 0.882) 20.643 12.190 ( -1.633 -3.370 -1.113) 3.907======================= Grid point 1956 (585/670) =======================q-point: ( 0.63 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.144 ( 20.695 20.193 0.666) 28.922 3.717 ( 5.269 21.129 0.786) 21.790 4.763 ( 13.742 5.551 -0.655) 14.836 9.523 ( 2.606 8.434 -0.893) 8.873 10.410 ( -2.262 1.904 0.770) 3.055 10.431 ( 7.709 6.750 0.821) 10.279 10.728 ( 5.201 0.444 -0.256) 5.226 11.302 ( -12.248 -13.527 0.750) 18.263 12.131 ( -1.017 -3.696 -0.960) 3.952======================= Grid point 1957 (586/670) =======================q-point: ( 0.68 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.645 ( 17.744 15.470 1.324) 23.578 3.957 ( 1.132 17.074 0.701) 17.126 4.991 ( 9.744 1.805 -0.491) 9.922 9.633 ( 0.792 8.838 -0.861) 8.916 10.372 ( -3.485 2.109 0.786) 4.148 10.587 ( 3.109 1.506 0.814) 3.549 10.824 ( 5.697 0.161 -0.678) 5.739 11.029 ( -6.228 -8.336 0.740) 10.432 12.082 ( -0.069 -3.917 -0.824) 4.003======================= Grid point 1958 (587/670) =======================q-point: ( 0.74 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.027 ( 11.844 10.146 1.679) 15.686 4.097 ( -1.424 13.137 0.656) 13.230 5.129 ( 5.973 0.112 -0.364) 5.985 9.713 ( -1.262 8.977 -0.814) 9.102 10.342 ( -3.041 2.552 0.832) 4.056 10.537 ( -4.763 -5.349 0.605) 7.188 10.905 ( 4.540 -0.853 -1.011) 4.729 10.975 ( 2.825 -1.279 0.930) 3.237 12.050 ( 1.092 -3.905 -0.755) 4.124======================= Grid point 1971 (588/670) =======================q-point: ( 0.42 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( -0.000 25.511 -0.602) 25.518 2.068 ( 0.000 29.619 0.485) 29.623 3.040 ( 0.000 43.334 0.139) 43.335 9.023 ( -0.000 6.142 -0.329) 6.151 9.441 ( -0.000 17.303 -0.245) 17.305 10.552 ( 0.000 -2.652 0.260) 2.664 10.611 ( 0.000 -0.224 0.636) 0.674 12.337 ( -0.000 -3.121 -0.828) 3.229 12.546 ( 0.000 -17.117 0.617) 17.128======================= Grid point 1972 (589/670) =======================q-point: ( 0.47 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( 5.709 28.969 -1.542) 29.567 2.445 ( 10.882 27.643 0.261) 29.709 3.494 ( 6.552 37.071 -0.135) 37.646 9.109 ( 2.814 6.608 -0.246) 7.186 9.640 ( 3.536 17.354 0.009) 17.711 10.524 ( -0.247 -2.664 0.221) 2.685 10.611 ( -0.263 0.224 0.651) 0.737 12.286 ( -1.972 -7.206 0.269) 7.476 12.345 ( -3.649 -14.409 -0.514) 14.873======================= Grid point 1973 (590/670) =======================q-point: ( 0.53 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( 11.101 29.739 -1.577) 31.782 2.930 ( 15.184 25.672 0.252) 29.827 3.943 ( 9.206 27.578 -0.373) 29.076 9.238 ( 4.579 7.193 -0.312) 8.533 9.884 ( 6.017 15.786 0.327) 16.897 10.499 ( -0.045 -1.778 0.239) 1.795 10.611 ( -0.359 0.518 0.561) 0.844 12.036 ( -8.236 -18.684 0.874) 20.438 12.251 ( -1.724 -3.327 -1.123) 3.912======================= Grid point 1974 (591/670) =======================q-point: ( 0.58 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.524 ( 15.025 27.858 -0.996) 31.667 3.419 ( 13.551 24.219 0.322) 27.754 4.321 ( 10.127 17.232 -0.484) 19.993 9.392 ( 4.999 8.044 -0.426) 9.481 10.138 ( 7.333 12.953 0.560) 14.895 10.489 ( -0.363 0.029 0.349) 0.504 10.617 ( 0.699 0.369 0.313) 0.850 11.701 ( -10.482 -17.971 0.670) 20.815 12.184 ( -1.985 -3.532 -0.900) 4.150======================= Grid point 1975 (592/670) =======================q-point: ( 0.63 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.044 ( 16.731 24.061 -0.169) 29.307 3.830 ( 8.116 22.205 0.367) 23.644 4.615 ( 10.563 8.581 -0.442) 13.617 9.552 ( 4.185 9.086 -0.515) 10.017 10.371 ( 7.241 9.186 0.646) 11.715 10.481 ( -2.055 1.901 0.557) 2.854 10.652 ( 3.435 0.016 -0.100) 3.436 11.356 ( -10.873 -15.973 0.522) 19.329 12.113 ( -1.766 -4.007 -0.722) 4.438======================= Grid point 1976 (593/670) =======================q-point: ( 0.68 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.530 ( 15.965 19.066 0.633) 24.876 4.110 ( 2.029 17.927 0.319) 18.044 4.847 ( 10.091 4.248 -0.272) 10.952 9.700 ( 2.428 10.110 -0.547) 10.412 10.457 ( -3.346 2.736 0.714) 4.381 10.547 ( 4.688 4.085 0.548) 6.242 10.727 ( 5.337 -0.203 -0.529) 5.367 11.054 ( -8.097 -12.006 0.482) 14.489 12.047 ( -0.999 -4.446 -0.566) 4.592======================= Grid point 1977 (594/670) =======================q-point: ( 0.74 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.933 ( 12.734 13.435 1.197) 18.550 4.256 ( -1.545 12.257 0.213) 12.356 5.032 ( 7.328 3.662 -0.089) 8.193 9.821 ( 0.089 10.870 -0.519) 10.883 10.428 ( -3.585 2.931 0.804) 4.700 10.560 ( -3.498 -4.524 0.124) 5.720 10.810 ( 5.189 -1.022 -0.901) 5.365 10.918 ( 1.281 -3.605 0.825) 3.914 11.994 ( 0.210 -4.647 -0.476) 4.676======================= Grid point 1991 (595/670) =======================q-point: ( 0.47 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( -0.000 31.656 -2.391) 31.746 2.609 ( -0.000 26.106 -0.131) 26.106 3.801 ( -0.000 35.174 -0.132) 35.174 9.148 ( 0.000 6.694 0.046) 6.695 9.784 ( 0.000 17.902 -0.003) 17.902 10.496 ( 0.000 -3.212 0.079) 3.213 10.623 ( 0.000 1.177 0.767) 1.405 12.177 ( 0.000 -19.164 0.956) 19.188 12.285 ( -0.000 -3.732 -1.216) 3.925======================= Grid point 1992 (596/670) =======================q-point: ( 0.53 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 4.810 32.330 -2.540) 32.785 2.942 ( 10.423 23.614 -0.259) 25.814 4.134 ( 2.053 29.064 -0.194) 29.137 9.239 ( 3.032 6.794 0.134) 7.442 9.975 ( 2.370 16.877 0.138) 17.043 10.469 ( 0.583 -2.983 -0.004) 3.040 10.636 ( -0.649 2.031 0.784) 2.272 11.952 ( -4.022 -20.148 0.605) 20.555 12.242 ( -1.094 -2.991 -0.868) 3.301======================= Grid point 1993 (597/670) =======================q-point: ( 0.58 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.606 ( 8.783 30.683 -2.059) 31.982 3.382 ( 15.631 20.902 -0.225) 26.102 4.413 ( 2.073 21.136 -0.210) 21.239 9.378 ( 5.248 7.186 0.085) 8.899 10.180 ( 3.779 14.484 0.300) 14.972 10.463 ( 1.732 -2.010 -0.082) 2.654 10.643 ( -1.359 2.599 0.737) 3.024 11.668 ( -6.995 -19.318 0.386) 20.549 12.184 ( -2.036 -3.152 -0.645) 3.807======================= Grid point 1994 (598/670) =======================q-point: ( 0.63 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.053 ( 11.478 27.033 -1.221) 29.394 3.834 ( 14.804 18.254 -0.121) 23.502 4.612 ( 2.287 13.402 -0.167) 13.597 9.548 ( 6.092 8.021 -0.025) 10.073 10.374 ( 4.266 10.884 0.394) 11.697 10.487 ( 2.416 -0.599 -0.105) 2.492 10.647 ( -1.328 2.649 0.581) 3.020 11.359 ( -8.548 -17.274 0.190) 19.274 12.111 ( -2.520 -3.578 -0.447) 4.399======================= Grid point 1995 (599/670) =======================q-point: ( 0.68 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.491 ( 12.403 22.009 -0.313) 25.265 4.191 ( 8.077 14.130 -0.022) 16.275 4.772 ( 5.094 8.776 -0.083) 10.148 9.729 ( 5.411 9.215 -0.130) 10.687 10.515 ( 0.718 1.803 0.182) 1.949 10.525 ( 3.011 5.045 0.328) 5.885 10.665 ( 1.310 1.747 0.102) 2.186 11.066 ( -7.955 -13.585 0.057) 15.743 12.032 ( -2.314 -4.063 -0.272) 4.684======================= Grid point 1996 (600/670) =======================q-point: ( 0.74 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.877 ( 11.251 16.267 0.431) 19.783 4.362 ( 0.712 7.297 0.009) 7.332 4.967 ( 7.365 9.054 0.026) 11.672 9.898 ( 3.376 10.421 -0.176) 10.955 10.511 ( -2.660 1.990 0.618) 3.379 10.567 ( -1.496 -2.757 -0.192) 3.143 10.721 ( 3.827 0.208 -0.505) 3.866 10.877 ( -1.822 -5.662 0.366) 5.959 11.958 ( -1.386 -4.370 -0.162) 4.587======================= Grid point 2011 (601/670) =======================q-point: ( 0.53 0.53 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( -0.000 33.026 -2.970) 33.159 3.068 ( -0.000 21.473 -0.529) 21.480 4.390 ( -0.000 25.853 -0.127) 25.853 9.277 ( 0.000 6.382 0.385) 6.394 10.119 ( 0.000 16.383 0.113) 16.384 10.431 ( -0.000 -3.356 -0.130) 3.358 10.670 ( 0.000 3.284 0.857) 3.394 11.789 ( 0.000 -20.448 0.330) 20.450 12.222 ( -0.000 -2.674 -0.611) 2.743======================= Grid point 2012 (602/670) =======================q-point: ( 0.58 0.53 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.800 ( 3.632 31.653 -2.783) 31.982 3.348 ( 9.931 18.574 -0.592) 21.071 4.611 ( -0.658 20.400 -0.059) 20.411 9.367 ( 3.436 6.191 0.461) 7.096 10.281 ( 1.311 14.479 0.165) 14.539 10.410 ( 1.353 -2.953 -0.244) 3.257 10.700 ( -1.035 4.147 0.867) 4.362 11.567 ( -3.362 -19.501 0.071) 19.788 12.184 ( -1.383 -2.593 -0.373) 2.963======================= Grid point 2013 (603/670) =======================q-point: ( 0.63 0.53 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( 6.371 28.345 -2.135) 29.131 3.729 ( 15.348 15.123 -0.503) 21.553 4.757 ( -1.979 14.700 0.024) 14.833 9.511 ( 6.234 6.417 0.416) 8.956 10.419 ( 2.790 -0.816 -0.369) 2.930 10.436 ( 1.964 9.904 0.210) 10.099 10.718 ( -2.150 4.526 0.847) 5.082 11.311 ( -5.690 -17.203 -0.190) 18.121 12.124 ( -2.639 -2.782 -0.151) 3.837======================= Grid point 2014 (604/670) =======================q-point: ( 0.68 0.53 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.538 ( 8.097 23.545 -1.268) 24.930 4.112 ( 14.338 10.701 -0.303) 17.894 4.845 ( -1.293 10.898 0.060) 10.974 9.696 ( 7.675 7.120 0.305) 10.473 10.462 ( 4.025 -1.468 -0.518) 4.315 10.548 ( 1.190 6.053 0.236) 6.173 10.722 ( -2.758 4.367 0.794) 5.226 11.058 ( -6.458 -12.850 -0.431) 14.388 12.044 ( -3.308 -3.121 0.039) 4.548======================= Grid point 2031 (605/670) =======================q-point: ( 0.58 0.58 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.065 ( -0.000 30.612 -2.958) 30.755 3.429 ( -0.000 16.201 -0.790) 16.220 4.801 ( 0.000 16.939 0.065) 16.940 9.395 ( 0.000 5.424 0.663) 5.464 10.368 ( -0.000 -3.021 -0.362) 3.043 10.406 ( 0.000 12.892 0.126) 12.893 10.757 ( 0.000 5.057 0.910) 5.138 11.410 ( -0.000 -18.324 -0.250) 18.326 12.173 ( -0.000 -2.165 -0.104) 2.168======================= Grid point 2032 (606/670) =======================q-point: ( 0.63 0.58 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.362 ( 2.463 27.679 -2.634) 27.913 3.651 ( 9.279 13.172 -0.794) 16.131 4.929 ( -1.995 12.750 0.184) 12.906 9.480 ( 3.957 5.037 0.717) 6.445 10.355 ( 1.851 -2.529 -0.490) 3.172 10.521 ( 0.400 9.596 0.107) 9.605 10.799 ( -1.355 5.293 0.933) 5.542 11.220 ( -2.695 -15.397 -0.573) 15.641 12.139 ( -1.758 -2.001 0.145) 2.668======================= Grid point 2033 (607/670) =======================q-point: (-0.32 -0.42 -0.74)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.659 ( 4.212 23.201 -1.976) 23.663 3.962 ( 14.045 9.492 -0.606) 16.963 4.988 ( -3.235 9.362 0.232) 9.907 9.626 ( 7.359 5.095 0.659) 8.975 10.378 ( 3.586 -1.923 -0.632) 4.118 10.590 ( -0.252 3.436 0.039) 3.446 10.817 ( -2.692 4.840 0.977) 5.624 11.036 ( -4.161 -9.394 -0.863) 10.311 12.077 ( -3.322 -2.053 0.349) 3.921======================= Grid point 2051 (608/670) =======================q-point: (-0.37 -0.37 -0.74)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.593 ( -0.000 25.137 -2.655) 25.277 3.685 ( -0.000 10.877 -0.958) 10.920 5.057 ( 0.000 9.809 0.340) 9.815 9.491 ( 0.000 4.075 0.875) 4.168 10.313 ( -0.000 -2.311 -0.597) 2.387 10.594 ( -0.000 5.419 -0.022) 5.419 10.865 ( 0.000 5.252 1.013) 5.348 11.110 ( -0.000 -11.052 -0.918) 11.090 12.139 ( 0.000 -1.451 0.416) 1.510======================= Grid point 2052 (609/670) =======================q-point: (-0.32 -0.37 -0.74)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.820 ( 1.832 19.938 -2.208) 20.144 3.852 ( 8.202 9.127 -1.002) 12.312 5.118 ( -2.383 7.056 0.434) 7.460 9.568 ( 4.501 3.562 0.902) 5.810 10.309 ( 2.099 -1.813 -0.713) 2.864 10.609 ( -0.707 -1.678 -0.282) 1.842 10.902 ( -1.598 4.476 1.114) 4.881 11.018 ( -1.750 -3.588 -1.112) 4.144 12.110 ( -2.126 -1.162 0.632) 2.503======================= Grid point 2071 (610/670) =======================q-point: (-0.32 -0.32 -0.74)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.842 ( -0.000 6.038 -1.056) 6.130 3.991 ( -0.000 17.140 -2.278) 17.290 5.199 ( 0.000 4.935 0.585) 4.970 9.560 ( 0.000 2.544 1.023) 2.742 10.273 ( -0.000 -1.438 -0.798) 1.644 10.577 ( -0.000 -5.746 -0.702) 5.789 10.958 ( 0.000 3.575 1.175) 3.763 11.019 ( -0.000 1.149 -1.106) 1.595 12.123 ( 0.000 -0.557 0.847) 1.014======================= Grid point 2292 (611/670) =======================q-point: ( 0.32 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.498 ( 0.000 -0.000 6.475) 6.475 0.498 ( 0.000 -0.000 6.475) 6.475 0.710 ( 0.000 -0.000 9.206) 9.206 8.833 ( -0.000 0.000 -1.011) 1.011 8.833 ( -0.000 0.000 -1.011) 1.011 10.627 ( 0.000 -0.000 0.517) 0.517 10.627 ( 0.000 -0.000 0.517) 0.517 12.453 ( -0.000 0.000 -1.005) 1.005 13.097 ( 0.000 -0.000 0.868) 0.868======================= Grid point 2293 (612/670) =======================q-point: ( 0.37 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( 1.939 1.119 7.632) 7.954 0.844 ( 24.194 13.969 3.930) 28.212 1.203 ( 42.239 24.387 1.711) 48.803 8.862 ( 2.543 1.468 -1.070) 3.125 8.905 ( 6.738 3.890 -0.681) 7.811 10.617 ( -0.902 -0.521 0.517) 1.162 10.629 ( -0.054 -0.031 0.350) 0.355 12.435 ( -1.281 -0.739 -0.972) 1.770 13.030 ( -6.136 -3.543 0.942) 7.148======================= Grid point 2294 (613/670) =======================q-point: ( 0.42 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( 10.472 6.046 4.024) 12.744 1.438 ( 26.995 15.585 2.373) 31.261 2.163 ( 42.243 24.389 0.180) 48.779 8.937 ( 4.395 2.537 -1.132) 5.199 9.117 ( 12.050 6.957 -0.119) 13.914 10.590 ( -1.711 -0.988 0.522) 2.044 10.625 ( -0.310 -0.179 0.288) 0.459 12.394 ( -2.112 -1.220 -0.984) 2.630 12.837 ( -11.210 -6.472 0.900) 12.975======================= Grid point 2295 (614/670) =======================q-point: ( 0.47 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 20.922 12.080 1.445) 24.202 2.034 ( 25.601 14.781 1.748) 29.613 3.056 ( 37.408 21.598 -0.477) 43.198 9.046 ( 5.544 3.201 -1.178) 6.509 9.423 ( 14.960 8.637 0.411) 17.280 10.545 ( -2.420 -1.397 0.538) 2.846 10.621 ( 0.035 0.020 0.258) 0.261 12.338 ( -2.700 -1.559 -0.861) 3.234 12.545 ( -14.860 -8.579 0.676) 17.172======================= Grid point 2296 (615/670) =======================q-point: ( 0.53 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( 26.820 15.484 0.716) 30.977 2.578 ( 22.614 13.056 1.456) 26.153 3.813 ( 30.389 17.545 -0.768) 35.099 9.172 ( 5.906 3.410 -1.194) 6.924 9.770 ( 15.577 8.994 0.754) 18.003 10.486 ( -2.899 -1.674 0.571) 3.396 10.635 ( 1.244 0.718 0.153) 1.445 12.170 ( -16.598 -9.583 1.181) 19.202 12.291 ( -3.277 -1.892 -1.398) 4.034======================= Grid point 2297 (616/670) =======================q-point: ( 0.58 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( 28.290 16.333 0.930) 32.679 3.043 ( 18.620 10.750 1.303) 21.540 4.400 ( 22.357 12.908 -0.834) 25.829 9.298 ( 5.565 3.213 -1.176) 6.532 10.108 ( 14.303 8.258 0.885) 16.539 10.421 ( -3.010 -1.738 0.622) 3.531 10.682 ( 3.032 1.751 -0.036) 3.502 11.780 ( -17.820 -10.288 0.959) 20.599 12.230 ( -2.271 -1.311 -1.156) 2.866======================= Grid point 2298 (617/670) =======================q-point: ( 0.63 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( 26.372 15.226 1.460) 30.487 3.412 ( 14.052 8.113 1.203) 16.271 4.808 ( 14.667 8.468 -0.767) 16.954 9.410 ( 4.705 2.716 -1.130) 5.549 10.359 ( -2.693 -1.555 0.685) 3.184 10.399 ( 11.255 6.498 0.854) 13.024 10.768 ( 4.530 2.615 -0.296) 5.239 11.400 ( -16.018 -9.248 0.858) 18.516 12.181 ( -1.821 -1.051 -1.017) 2.335======================= Grid point 2299 (618/670) =======================q-point: ( 0.68 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.573 ( 21.740 12.551 1.988) 25.181 3.676 ( 9.431 5.445 1.123) 10.947 5.061 ( 8.504 4.910 -0.657) 9.841 9.499 ( 3.530 2.038 -1.073) 4.215 10.308 ( -2.040 -1.178 0.747) 2.471 10.590 ( 4.691 2.708 0.775) 5.472 10.873 ( 4.699 2.713 -0.689) 5.469 11.102 ( -9.711 -5.607 0.864) 11.247 12.144 ( -1.219 -0.704 -0.900) 1.671======================= Grid point 2312 (619/670) =======================q-point: ( 0.37 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( 0.000 2.643 6.788) 7.284 0.885 ( 0.000 28.220 2.731) 28.351 1.187 ( 0.000 48.239 2.144) 48.286 8.849 ( -0.000 2.427 -0.734) 2.536 8.913 ( -0.000 8.288 -0.887) 8.335 10.621 ( 0.000 -0.902 0.410) 0.991 10.627 ( 0.000 -0.235 0.406) 0.469 12.432 ( -0.000 -1.496 -0.897) 1.744 13.032 ( 0.000 -7.055 0.859) 7.107======================= Grid point 2313 (620/670) =======================q-point: ( 0.42 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( 3.711 7.974 4.095) 9.702 1.311 ( 14.759 28.465 1.912) 32.121 1.893 ( 25.131 41.804 0.656) 48.781 8.902 ( 2.831 3.541 -0.763) 4.597 9.054 ( 5.791 11.273 -0.463) 12.681 10.603 ( -0.976 -1.322 0.417) 1.695 10.625 ( -0.037 -0.484 0.321) 0.582 12.403 ( -1.126 -1.970 -0.866) 2.428 12.903 ( -5.758 -9.942 0.809) 11.518======================= Grid point 2314 (621/670) =======================q-point: ( 0.47 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 12.536 15.645 1.606) 20.112 1.869 ( 18.714 26.139 1.507) 32.182 2.730 ( 30.450 32.406 -0.205) 44.468 9.000 ( 4.245 4.628 -0.905) 6.345 9.309 ( 10.548 12.421 0.125) 16.296 10.567 ( -1.717 -1.611 0.450) 2.397 10.620 ( -0.048 -0.476 0.252) 0.541 12.355 ( -1.863 -2.245 -0.801) 3.025 12.660 ( -10.463 -12.055 0.664) 15.976======================= Grid point 2315 (622/670) =======================q-point: ( 0.53 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( 20.513 20.009 0.705) 28.664 2.425 ( 17.906 23.769 1.290) 29.786 3.503 ( 28.945 23.922 -0.590) 37.555 9.123 ( 4.824 5.407 -0.996) 7.314 9.630 ( 13.057 12.081 0.542) 17.796 10.518 ( -2.404 -1.514 0.495) 2.884 10.621 ( 0.691 -0.148 0.133) 0.719 12.286 ( -5.054 -5.073 0.280) 7.167 12.344 ( -10.909 -10.611 -0.455) 15.225======================= Grid point 2316 (623/670) =======================q-point: ( 0.58 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( 24.632 20.812 0.870) 32.259 2.922 ( 14.990 21.125 1.166) 25.930 4.141 ( 24.151 16.206 -0.699) 29.093 9.255 ( 4.619 5.828 -1.026) 7.507 9.967 ( 13.435 10.679 0.721) 17.177 10.462 ( -3.005 -1.032 0.550) 3.224 10.647 ( 2.339 0.496 -0.062) 2.392 11.948 ( -15.563 -13.564 0.852) 20.662 12.244 ( -1.985 -2.453 -1.004) 3.311======================= Grid point 2317 (624/670) =======================q-point: ( 0.63 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.763 ( 25.129 19.269 1.411) 31.698 3.333 ( 11.020 18.058 1.076) 21.182 4.616 ( 17.998 9.593 -0.645) 20.405 9.380 ( 3.752 5.963 -1.007) 7.117 10.277 ( 11.958 8.471 0.693) 14.671 10.403 ( -3.303 -0.356 0.607) 3.377 10.711 ( 4.269 1.230 -0.316) 4.454 11.561 ( -15.358 -12.704 0.738) 19.945 12.188 ( -1.493 -2.488 -0.825) 3.017======================= Grid point 2318 (625/670) =======================q-point: ( 0.68 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.343 ( 22.584 16.111 1.966) 27.811 3.643 ( 6.729 14.709 0.991) 16.206 4.932 ( 12.053 4.629 -0.527) 12.922 9.487 ( 2.422 5.898 -0.958) 6.447 10.350 ( -3.149 0.307 0.666) 3.233 10.519 ( 8.161 5.186 0.520) 9.684 10.806 ( 5.368 1.525 -0.639) 5.617 11.215 ( -12.136 -10.097 0.757) 15.805 12.142 ( -0.808 -2.514 -0.695) 2.731======================= Grid point 2332 (626/670) =======================q-point: ( 0.42 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.920 ( 0.000 12.662 2.297) 12.868 1.479 ( 0.000 31.078 0.817) 31.089 2.147 ( 0.000 48.632 0.767) 48.638 8.916 ( -0.000 4.717 -0.351) 4.730 9.130 ( -0.000 14.260 -0.604) 14.273 10.597 ( 0.000 -1.849 0.260) 1.867 10.622 ( 0.000 -0.529 0.432) 0.683 12.389 ( -0.000 -2.478 -0.777) 2.597 12.842 ( 0.000 -12.919 0.695) 12.938======================= Grid point 2333 (627/670) =======================q-point: ( 0.47 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 5.692 19.626 0.417) 20.439 1.888 ( 11.957 29.723 0.557) 32.043 2.722 ( 13.485 42.319 0.212) 44.416 8.989 ( 2.669 5.570 -0.320) 6.185 9.317 ( 4.847 15.676 -0.270) 16.410 10.571 ( -0.757 -2.131 0.245) 2.274 10.617 ( -0.105 -0.499 0.405) 0.651 12.353 ( -0.991 -2.746 -0.675) 2.997 12.662 ( -5.250 -15.072 0.545) 15.969======================= Grid point 2334 (628/670) =======================q-point: ( 0.53 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 12.959 24.349 -0.258) 27.584 2.408 ( 15.545 27.995 0.599) 32.027 3.361 ( 18.832 32.115 -0.249) 37.230 9.104 ( 4.138 6.405 -0.463) 7.639 9.581 ( 8.491 15.240 0.164) 17.447 10.535 ( -1.248 -1.842 0.299) 2.245 10.612 ( 0.038 -0.366 0.276) 0.460 12.298 ( -2.093 -3.625 -0.232) 4.193 12.389 ( -9.015 -15.581 0.076) 18.001======================= Grid point 2335 (629/670) =======================q-point: ( 0.58 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( 18.603 25.310 0.065) 31.411 2.924 ( 13.980 26.413 0.673) 29.892 3.944 ( 19.499 21.534 -0.461) 29.054 9.242 ( 4.467 7.221 -0.602) 8.513 9.882 ( 10.445 13.392 0.440) 16.989 10.497 ( -1.851 -0.818 0.396) 2.062 10.618 ( 1.107 -0.205 0.042) 1.127 12.039 ( -12.228 -16.479 0.683) 20.531 12.246 ( -1.916 -3.147 -0.816) 3.774======================= Grid point 2336 (630/670) =======================q-point: ( 0.63 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.581 ( 21.316 23.513 0.772) 31.747 3.374 ( 10.016 24.229 0.707) 26.227 4.415 ( 17.329 12.283 -0.468) 21.245 9.384 ( 3.855 7.941 -0.678) 8.854 10.179 ( 10.634 10.659 0.492) 15.065 10.458 ( -2.758 0.480 0.505) 2.845 10.652 ( 3.193 0.105 -0.263) 3.205 11.667 ( -13.376 -15.714 0.521) 20.643 12.183 ( -1.647 -3.351 -0.589) 3.780======================= Grid point 2337 (631/670) =======================q-point: ( 0.68 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.153 ( 21.038 19.955 1.483) 29.034 3.724 ( 5.345 20.971 0.681) 21.653 4.759 ( 13.733 5.606 -0.357) 14.837 9.516 ( 2.529 8.522 -0.689) 8.916 10.415 ( -2.330 1.896 0.601) 3.064 10.436 ( 7.828 6.797 0.319) 10.372 10.724 ( 5.103 0.422 -0.586) 5.154 11.308 ( -12.193 -13.561 0.510) 18.244 12.125 ( -1.044 -3.679 -0.436) 3.849======================= Grid point 2352 (632/670) =======================q-point: ( 0.47 0.47 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.288 ( -0.000 24.554 -0.990) 24.574 2.070 ( -0.000 29.473 -0.091) 29.473 3.042 ( 0.000 43.141 0.260) 43.142 9.022 ( 0.000 6.200 0.061) 6.200 9.438 ( -0.000 17.443 -0.360) 17.447 10.553 ( 0.000 -2.678 0.082) 2.679 10.616 ( 0.000 -0.141 0.527) 0.546 12.331 ( -0.000 -3.010 -0.513) 3.053 12.550 ( 0.000 -17.272 0.366) 17.276======================= Grid point 2353 (633/670) =======================q-point: ( 0.53 0.47 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 5.927 28.372 -1.554) 29.026 2.445 ( 11.025 27.512 -0.202) 29.640 3.494 ( 6.457 36.968 0.065) 37.527 9.108 ( 2.695 6.679 0.119) 7.203 9.640 ( 3.650 17.456 -0.166) 17.834 10.525 ( -0.200 -2.705 0.027) 2.712 10.616 ( -0.320 0.319 0.513) 0.683 12.288 ( -1.475 -5.137 0.152) 5.347 12.342 ( -4.146 -16.511 -0.306) 17.026======================= Grid point 2354 (634/670) =======================q-point: ( 0.58 0.47 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.015 ( 11.527 29.336 -1.186) 31.542 2.931 ( 15.382 25.522 -0.073) 29.799 3.941 ( 9.092 27.566 -0.100) 29.026 9.237 ( 4.407 7.289 0.004) 8.518 9.885 ( 6.156 15.832 0.072) 16.987 10.500 ( 0.053 -1.853 0.023) 1.854 10.615 ( -0.486 0.639 0.392) 0.894 12.041 ( -8.243 -18.803 0.416) 20.534 12.244 ( -1.710 -3.235 -0.548) 3.700======================= Grid point 2355 (635/670) =======================q-point: ( 0.63 0.47 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.519 ( 15.529 27.532 -0.346) 31.611 3.420 ( 13.741 24.059 0.112) 27.707 4.318 ( 10.036 17.276 -0.168) 19.980 9.390 ( 4.828 8.151 -0.147) 9.475 10.141 ( 7.436 12.966 0.193) 14.948 10.491 ( -0.173 -0.072 0.122) 0.224 10.619 ( 0.462 0.509 0.107) 0.695 11.704 ( -10.447 -18.030 0.238) 20.840 12.179 ( -2.003 -3.503 -0.317) 4.048======================= Grid point 2356 (636/670) =======================q-point: ( 0.68 0.47 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.045 ( 17.206 23.768 0.557) 29.348 3.832 ( 8.251 22.049 0.258) 23.543 4.612 ( 10.520 8.648 -0.144) 13.619 9.549 ( 4.047 9.189 -0.258) 10.044 10.375 ( 7.289 9.195 0.133) 11.734 10.485 ( -1.901 1.854 0.349) 2.678 10.651 ( 3.209 0.090 -0.362) 3.230 11.359 ( -10.804 -16.037 0.180) 19.338 12.110 ( -1.795 -3.981 -0.149) 4.370======================= Grid point 2372 (637/670) =======================q-point: ( 0.53 0.53 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -0.000 31.263 -2.301) 31.348 2.606 ( -0.000 26.050 -0.599) 26.057 3.801 ( 0.000 35.073 0.129) 35.074 9.150 ( 0.000 6.736 0.435) 6.750 9.783 ( -0.000 18.021 -0.244) 18.023 10.496 ( -0.000 -3.243 -0.117) 3.246 10.629 ( 0.000 1.261 0.603) 1.398 12.183 ( 0.000 -19.510 0.445) 19.515 12.277 ( -0.000 -3.419 -0.596) 3.470======================= Grid point 2373 (638/670) =======================q-point: ( 0.58 0.53 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( 5.077 32.062 -2.206) 32.536 2.938 ( 10.529 23.562 -0.640) 25.816 4.134 ( 2.018 29.013 0.123) 29.083 9.242 ( 2.939 6.841 0.492) 7.462 9.975 ( 2.434 16.970 -0.173) 17.144 10.468 ( 0.600 -3.027 -0.212) 3.093 10.641 ( -0.684 2.123 0.595) 2.308 11.955 ( -4.010 -20.237 0.112) 20.631 12.237 ( -1.100 -2.937 -0.247) 3.146======================= Grid point 2374 (639/670) =======================q-point: ( 0.63 0.53 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( 9.230 30.444 -1.500) 31.848 3.379 ( 15.788 20.832 -0.491) 26.143 4.412 ( 2.024 21.137 0.135) 21.234 9.380 ( 5.102 7.251 0.401) 8.875 10.181 ( 3.856 14.541 -0.101) 15.044 10.462 ( 1.770 -2.080 -0.308) 2.749 10.649 ( -1.436 2.713 0.528) 3.114 11.669 ( -6.963 -19.398 -0.071) 20.610 12.181 ( -2.055 -3.119 -0.030) 3.735======================= Grid point 2392 (640/670) =======================q-point: ( 0.58 0.58 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.439 ( -0.000 32.867 -2.547) 32.965 3.062 ( -0.000 21.461 -0.893) 21.479 4.390 ( 0.000 25.814 0.225) 25.815 9.281 ( 0.000 6.405 0.733) 6.447 10.118 ( -0.000 16.488 -0.254) 16.490 10.430 ( -0.000 -3.394 -0.331) 3.410 10.676 ( 0.000 3.365 0.639) 3.425 11.790 ( -0.000 -20.530 -0.148) 20.530 12.220 ( 0.000 -2.638 0.017) 2.638======================= Grid point 2393 (641/670) =======================q-point: (-0.37 -0.42 -0.68)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.779 ( 3.873 31.526 -2.221) 31.840 3.342 ( 10.021 18.564 -0.881) 21.115 4.612 ( -0.672 20.387 0.308) 20.401 9.373 ( 3.362 6.216 0.773) 7.109 10.281 ( 1.340 14.568 -0.278) 14.632 10.408 ( 1.351 -2.995 -0.446) 3.316 10.707 ( -1.054 4.232 0.626) 4.406 11.565 ( -3.344 -19.603 -0.361) 19.890 12.184 ( -1.396 -2.557 0.246) 2.923======================= Grid point 2412 (642/670) =======================q-point: (-0.37 -0.37 -0.68)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.043 ( -0.000 30.546 -2.340) 30.636 3.421 ( -0.000 16.207 -1.054) 16.241 4.803 ( 0.000 16.938 0.439) 16.944 9.401 ( 0.000 5.433 0.944) 5.514 10.364 ( -0.000 -3.066 -0.549) 3.114 10.405 ( -0.000 12.985 -0.383) 12.990 10.764 ( 0.000 5.146 0.640) 5.186 11.406 ( -0.000 -18.455 -0.601) 18.465 12.175 ( 0.000 -2.123 0.493) 2.180======================= Grid point 2674 (643/670) =======================q-point: ( 0.37 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( 0.000 -0.000 4.762) 4.762 0.546 ( 0.000 -0.000 4.762) 4.762 0.777 ( 0.000 -0.000 6.767) 6.767 8.825 ( -0.000 0.000 -0.809) 0.809 8.825 ( -0.000 0.000 -0.809) 0.809 10.631 ( 0.000 -0.000 0.411) 0.411 10.631 ( 0.000 -0.000 0.411) 0.411 12.445 ( -0.000 0.000 -0.795) 0.795 13.104 ( 0.000 -0.000 0.684) 0.684======================= Grid point 2675 (644/670) =======================q-point: ( 0.42 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.792 ( 1.144 0.660 5.555) 5.710 0.874 ( 23.501 13.568 3.160) 27.320 1.214 ( 41.522 23.973 1.011) 47.956 8.854 ( 2.492 1.439 -0.900) 3.016 8.900 ( 6.891 3.978 -0.427) 7.968 10.621 ( -0.888 -0.513 0.412) 1.105 10.632 ( -0.099 -0.057 0.256) 0.280 12.428 ( -1.303 -0.752 -0.725) 1.670 13.036 ( -6.094 -3.518 0.684) 7.070======================= Grid point 2676 (645/670) =======================q-point: ( 0.47 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 9.507 5.489 3.055) 11.395 1.456 ( 26.732 15.434 2.014) 30.933 2.163 ( 41.979 24.236 -0.087) 48.473 8.928 ( 4.352 2.513 -0.982) 5.120 9.117 ( 12.227 7.059 0.079) 14.118 10.594 ( -1.695 -0.979 0.416) 2.001 10.627 ( -0.311 -0.180 0.149) 0.389 12.387 ( -2.138 -1.234 -0.682) 2.561 12.843 ( -11.220 -6.478 0.619) 12.970======================= Grid point 2677 (646/670) =======================q-point: ( 0.53 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( 20.486 11.827 1.574) 23.707 2.048 ( 25.490 14.717 1.533) 29.473 3.052 ( 37.284 21.526 -0.499) 43.055 9.037 ( 5.514 3.184 -1.033) 6.450 9.427 ( 15.092 8.714 0.472) 17.433 10.549 ( -2.398 -1.385 0.431) 2.803 10.623 ( 0.025 0.014 0.050) 0.058 12.332 ( -2.606 -1.505 -0.546) 3.059 12.549 ( -14.980 -8.649 0.434) 17.303======================= Grid point 2678 (647/670) =======================q-point: ( 0.58 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 26.756 15.448 1.426) 30.928 2.590 ( 22.563 13.027 1.299) 26.086 3.807 ( 30.337 17.515 -0.611) 35.035 9.163 ( 5.890 3.401 -1.040) 6.880 9.775 ( 15.646 9.033 0.644) 18.078 10.491 ( -2.870 -1.657 0.460) 3.346 10.635 ( 1.211 0.699 -0.118) 1.403 12.179 ( -16.797 -9.698 0.883) 19.415 12.281 ( -3.084 -1.781 -0.984) 3.695======================= Grid point 2679 (648/670) =======================q-point: ( 0.63 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.420 ( 28.355 16.371 1.843) 32.794 3.054 ( 18.593 10.735 1.160) 21.501 4.394 ( 22.345 12.901 -0.558) 25.808 9.289 ( 5.560 3.210 -1.006) 6.498 10.115 ( 14.318 8.267 0.599) 16.544 10.426 ( -2.975 -1.718 0.501) 3.471 10.680 ( 2.980 1.720 -0.355) 3.459 11.787 ( -17.816 -10.286 0.606) 20.581 12.223 ( -2.271 -1.311 -0.641) 2.700======================= Grid point 2694 (649/670) =======================q-point: ( 0.42 0.42 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.808 ( 0.000 1.586 4.643) 4.907 0.903 ( 0.000 27.391 1.606) 27.438 1.203 ( 0.000 47.569 1.589) 47.596 8.844 ( -0.000 2.505 -0.419) 2.540 8.906 ( -0.000 8.327 -0.720) 8.358 10.624 ( 0.000 -0.925 0.263) 0.961 10.630 ( 0.000 -0.238 0.323) 0.402 12.426 ( -0.000 -1.516 -0.624) 1.639 13.038 ( 0.000 -7.016 0.584) 7.040======================= Grid point 2695 (650/670) =======================q-point: ( 0.47 0.42 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.873 ( 3.392 6.812 2.613) 8.046 1.324 ( 15.031 27.896 1.231) 31.712 1.897 ( 24.696 41.678 0.394) 48.447 8.897 ( 2.626 3.667 -0.488) 4.536 9.051 ( 6.051 11.284 -0.303) 12.808 10.606 ( -0.919 -1.353 0.272) 1.658 10.628 ( -0.094 -0.436 0.209) 0.493 12.397 ( -1.142 -1.990 -0.550) 2.360 12.908 ( -5.754 -9.947 0.506) 11.502======================= Grid point 2696 (651/670) =======================q-point: ( 0.53 0.42 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( 12.439 14.871 1.233) 19.426 1.880 ( 18.865 25.819 1.111) 31.996 2.728 ( 30.228 32.390 -0.251) 44.305 8.994 ( 4.070 4.746 -0.670) 6.288 9.311 ( 10.770 12.417 0.196) 16.438 10.570 ( -1.664 -1.626 0.306) 2.347 10.621 ( -0.102 -0.435 0.081) 0.454 12.350 ( -1.857 -2.229 -0.453) 2.937 12.665 ( -10.486 -12.097 0.377) 16.014======================= Grid point 2697 (652/670) =======================q-point: ( 0.58 0.42 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( 20.694 19.619 1.121) 28.537 2.434 ( 18.000 23.580 1.024) 29.683 3.498 ( 28.847 23.925 -0.455) 37.481 9.116 ( 4.704 5.498 -0.773) 7.277 9.634 ( 13.186 12.069 0.458) 17.881 10.522 ( -2.358 -1.509 0.351) 2.821 10.621 ( 0.628 -0.135 -0.100) 0.650 12.288 ( -3.574 -3.690 0.161) 5.139 12.341 ( -12.392 -12.006 -0.230) 17.256======================= Grid point 2698 (653/670) =======================q-point: ( 0.63 0.42 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.155 ( 24.895 20.594 1.629) 32.350 2.931 ( 15.055 21.001 0.954) 25.857 4.136 ( 24.120 16.219 -0.432) 29.069 9.247 ( 4.542 5.898 -0.800) 7.487 9.972 ( 13.481 10.658 0.470) 17.191 10.466 ( -2.966 -1.010 0.400) 3.159 10.645 ( 2.268 0.484 -0.346) 2.345 11.954 ( -15.563 -13.592 0.413) 20.667 12.238 ( -1.974 -2.426 -0.421) 3.157======================= Grid point 2714 (654/670) =======================q-point: ( 0.47 0.47 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( 0.000 11.374 1.027) 11.420 1.483 ( 0.000 30.817 0.039) 30.817 2.153 ( 0.000 48.380 0.656) 48.385 8.915 ( 0.000 4.794 0.025) 4.795 9.126 ( -0.000 14.341 -0.543) 14.351 10.598 ( 0.000 -1.876 0.087) 1.878 10.625 ( 0.000 -0.471 0.323) 0.571 12.383 ( -0.000 -2.492 -0.434) 2.530 12.846 ( 0.000 -12.940 0.381) 12.945======================= Grid point 2715 (655/670) =======================q-point: ( 0.53 0.47 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 5.834 18.711 -0.145) 19.600 1.890 ( 12.230 29.484 -0.019) 31.920 2.723 ( 13.274 42.240 0.239) 44.277 8.988 ( 2.489 5.676 0.027) 6.198 9.315 ( 5.033 15.710 -0.272) 16.499 10.572 ( -0.691 -2.170 0.062) 2.278 10.620 ( -0.177 -0.422 0.264) 0.528 12.348 ( -0.991 -2.727 -0.312) 2.919 12.666 ( -5.255 -15.121 0.245) 16.010======================= Grid point 2716 (656/670) =======================q-point: ( 0.58 0.47 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( 13.364 23.804 -0.088) 27.299 2.411 ( 15.818 27.767 0.208) 31.957 3.359 ( 18.655 32.138 -0.088) 37.160 9.102 ( 3.924 6.534 -0.159) 7.624 9.582 ( 8.680 15.218 0.057) 17.519 10.537 ( -1.153 -1.887 0.104) 2.214 10.614 ( -0.079 -0.287 0.094) 0.312 12.297 ( -1.840 -3.187 -0.081) 3.681 12.390 ( -9.266 -16.038 0.027) 18.522======================= Grid point 2717 (657/670) =======================q-point: ( 0.63 0.47 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( 19.088 24.936 0.662) 31.410 2.929 ( 14.183 26.230 0.394) 29.821 3.941 ( 19.402 21.579 -0.190) 29.019 9.238 ( 4.291 7.343 -0.319) 8.511 9.885 ( 10.558 13.347 0.193) 17.019 10.500 ( -1.746 -0.842 0.197) 1.949 10.617 ( 0.962 -0.154 -0.185) 0.992 12.042 ( -12.225 -16.546 0.153) 20.573 12.242 ( -1.905 -3.090 -0.154) 3.633======================= Grid point 2734 (658/670) =======================q-point: ( 0.53 0.53 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( -0.000 23.874 -1.310) 23.910 2.067 ( -0.000 29.388 -0.658) 29.396 3.044 ( 0.000 43.024 0.372) 43.026 9.024 ( 0.000 6.261 0.443) 6.277 9.435 ( -0.000 17.515 -0.442) 17.521 10.553 ( -0.000 -2.708 -0.105) 2.710 10.620 ( 0.000 -0.067 0.364) 0.370 12.329 ( -0.000 -2.952 -0.163) 2.956 12.552 ( 0.000 -17.358 0.099) 17.358======================= Grid point 2735 (659/670) =======================q-point: ( 0.58 0.53 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( 6.248 27.941 -1.411) 28.665 2.441 ( 11.212 27.421 -0.647) 29.632 3.495 ( 6.369 36.925 0.271) 37.471 9.111 ( 2.556 6.753 0.471) 7.235 9.638 ( 3.761 17.491 -0.327) 17.893 10.524 ( -0.158 -2.750 -0.170) 2.760 10.620 ( -0.378 0.406 0.323) 0.642 12.289 ( -1.253 -4.237 -0.004) 4.418 12.340 ( -4.364 -17.432 -0.041) 17.970======================= Grid point 2754 (660/670) =======================q-point: (-0.42 -0.42 -0.63)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( -0.000 30.998 -1.971) 31.061 2.599 ( -0.000 26.032 -1.002) 26.051 3.803 ( 0.000 35.024 0.388) 35.026 9.155 ( 0.000 6.772 0.778) 6.817 9.780 ( -0.000 18.078 -0.467) 18.084 10.494 ( -0.000 -3.279 -0.303) 3.292 10.633 ( 0.000 1.338 0.379) 1.391 12.184 ( -0.000 -19.626 -0.280) 19.628 12.275 ( 0.000 -3.323 0.254) 3.333======================= Grid point 3057 (661/670) =======================q-point: ( 0.42 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.578 ( 0.000 -0.000 2.913) 2.913 0.578 ( 0.000 -0.000 2.913) 2.913 0.823 ( 0.000 -0.000 4.138) 4.138 8.820 ( -0.000 0.000 -0.522) 0.522 8.820 ( -0.000 0.000 -0.522) 0.522 10.633 ( 0.000 -0.000 0.265) 0.265 10.633 ( 0.000 -0.000 0.265) 0.265 12.440 ( -0.000 0.000 -0.509) 0.509 13.109 ( 0.000 -0.000 0.437) 0.437======================= Grid point 3058 (662/670) =======================q-point: ( 0.47 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.828 ( 0.652 0.376 3.127) 3.216 0.896 ( 23.118 13.347 2.124) 26.779 1.220 ( 41.088 23.722 0.305) 47.445 8.847 ( 2.422 1.398 -0.635) 2.868 8.898 ( 7.027 4.057 -0.127) 8.115 10.624 ( -0.869 -0.502 0.265) 1.038 10.633 ( -0.139 -0.080 0.119) 0.199 12.423 ( -1.316 -0.760 -0.411) 1.575 13.041 ( -6.067 -3.503 0.382) 7.017======================= Grid point 3059 (663/670) =======================q-point: ( 0.53 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.928 ( 9.084 5.244 1.792) 10.641 1.471 ( 26.589 15.351 1.451) 30.737 2.162 ( 41.828 24.149 -0.317) 48.300 8.921 ( 4.293 2.479 -0.728) 5.011 9.119 ( 12.355 7.133 0.267) 14.269 10.596 ( -1.674 -0.966 0.269) 1.951 10.628 ( -0.331 -0.191 -0.012) 0.382 12.383 ( -2.154 -1.243 -0.326) 2.508 12.847 ( -11.222 -6.479 0.297) 12.962======================= Grid point 3060 (664/670) =======================q-point: ( 0.58 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( 20.403 11.780 1.519) 23.608 2.059 ( 25.439 14.687 1.156) 29.397 3.048 ( 37.234 21.497 -0.458) 42.996 9.029 ( 5.472 3.159 -0.779) 6.367 9.431 ( 15.164 8.755 0.482) 17.517 10.552 ( -2.372 -1.370 0.281) 2.754 10.622 ( -0.007 -0.004 -0.164) 0.164 12.329 ( -2.556 -1.476 -0.197) 2.958 12.552 ( -15.039 -8.683 0.172) 17.367======================= Grid point 3077 (665/670) =======================q-point: ( 0.47 0.47 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.837 ( 0.000 0.877 2.169) 2.340 0.911 ( 0.000 26.843 0.357) 26.846 1.214 ( 0.000 47.255 0.983) 47.265 8.842 ( -0.000 2.600 -0.061) 2.600 8.901 ( -0.000 8.309 -0.478) 8.323 10.626 ( 0.000 -0.951 0.090) 0.955 10.633 ( 0.000 -0.225 0.193) 0.297 12.422 ( -0.000 -1.526 -0.295) 1.554 13.042 ( 0.000 -6.996 0.272) 7.001======================= Grid point 3078 (666/670) =======================q-point: ( 0.53 0.47 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( 3.365 6.142 0.898) 7.061 1.331 ( 15.467 27.431 0.425) 31.494 1.899 ( 24.301 41.714 0.131) 48.276 8.894 ( 2.378 3.814 -0.168) 4.497 9.049 ( 6.316 11.217 -0.105) 12.874 10.607 ( -0.851 -1.392 0.094) 1.634 10.629 ( -0.169 -0.387 0.073) 0.428 12.394 ( -1.152 -1.999 -0.188) 2.315 12.911 ( -5.749 -9.951 0.172) 11.493======================= Grid point 3079 (667/670) =======================q-point: ( 0.58 0.47 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 12.698 14.448 0.721) 19.248 1.888 ( 19.108 25.542 0.596) 31.904 2.726 ( 30.054 32.462 -0.258) 44.240 8.989 ( 3.872 4.872 -0.368) 6.234 9.312 ( 10.957 12.346 0.246) 16.509 10.572 ( -1.601 -1.651 0.129) 2.304 10.621 ( -0.181 -0.397 -0.097) 0.447 12.347 ( -1.858 -2.221 -0.073) 2.896 12.667 ( -10.488 -12.117 0.068) 16.026======================= Grid point 3097 (668/670) =======================q-point: ( 0.53 0.53 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( -0.000 10.630 -0.382) 10.637 1.480 ( -0.000 30.687 -0.743) 30.696 2.158 ( 0.000 48.268 0.506) 48.270 8.916 ( 0.000 4.878 0.398) 4.894 9.121 ( -0.000 14.344 -0.427) 14.350 10.598 ( -0.000 -1.904 -0.096) 1.907 10.627 ( 0.000 -0.421 0.176) 0.456 12.381 ( -0.000 -2.495 -0.056) 2.495 12.848 ( 0.000 -12.953 0.043) 12.953======================= Grid point 3440 (669/670) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( 0.000 -0.000 0.981) 0.981 0.594 ( 0.000 -0.000 0.981) 0.981 0.846 ( 0.000 -0.000 1.392) 1.392 8.817 ( -0.000 0.000 -0.180) 0.180 8.817 ( -0.000 0.000 -0.180) 0.180 10.635 ( 0.000 -0.000 0.091) 0.091 10.635 ( 0.000 -0.000 0.091) 0.091 12.437 ( -0.000 0.000 -0.175) 0.175 13.111 ( 0.000 -0.000 0.150) 0.150======================= Grid point 3441 (670/670) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 6.97e-05 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( 0.510 0.295 0.488) 0.765 0.909 ( 23.039 13.302 0.919) 26.619 1.219 ( 40.899 23.613 -0.357) 47.227 8.843 ( 2.339 1.350 -0.303) 2.717 8.898 ( 7.132 4.118 0.185) 8.237 10.626 ( -0.847 -0.489 0.092) 0.982 10.634 ( -0.171 -0.099 -0.038) 0.201 12.421 ( -1.322 -0.763 -0.061) 1.528 13.043 ( -6.056 -3.496 0.057) 6.993=================== 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 3/61731 10.0 324.518 324.518 572.003 -0.000 0.000 -0.000 3/61731 20.0 480.690 480.690 148.570 0.000 -0.000 -0.000 3/61731 30.0 504.436 504.436 79.440 0.000 -0.000 -0.000 3/61731 40.0 495.344 495.344 50.056 0.000 -0.000 -0.000 3/61731 50.0 473.224 473.224 35.003 0.000 -0.000 -0.000 3/61731 60.0 443.506 443.506 26.491 0.000 -0.000 -0.000 3/61731 70.0 409.687 409.687 21.191 0.000 -0.000 -0.000 3/61731 80.0 375.054 375.054 17.610 0.000 -0.000 -0.000 3/61731 90.0 342.164 342.164 15.039 0.000 -0.000 -0.000 3/61731 100.0 312.432 312.432 13.107 0.000 -0.000 -0.000 3/61731 110.0 286.296 286.296 11.607 0.000 -0.000 -0.000 3/61731 120.0 263.621 263.621 10.410 0.000 -0.000 -0.000 3/61731 130.0 244.021 244.021 9.436 0.000 -0.000 -0.000 3/61731 140.0 227.049 227.049 8.629 0.000 -0.000 -0.000 3/61731 150.0 212.287 212.287 7.950 0.000 -0.000 -0.000 3/61731 160.0 199.367 199.367 7.371 0.000 -0.000 -0.000 3/61731 170.0 187.986 187.986 6.872 0.000 -0.000 -0.000 3/61731 180.0 177.894 177.894 6.438 0.000 -0.000 -0.000 3/61731 190.0 168.888 168.888 6.057 0.000 -0.000 -0.000 3/61731 200.0 160.803 160.803 5.720 0.000 -0.000 -0.000 3/61731 210.0 153.503 153.503 5.420 0.000 -0.000 -0.000 3/61731 220.0 146.878 146.878 5.150 0.000 -0.000 -0.000 3/61731 230.0 140.837 140.837 4.907 0.000 -0.000 -0.000 3/61731 240.0 135.304 135.304 4.687 0.000 -0.000 -0.000 3/61731 250.0 130.215 130.215 4.486 0.000 -0.000 -0.000 3/61731 260.0 125.519 125.519 4.302 0.000 -0.000 -0.000 3/61731 270.0 121.169 121.169 4.134 0.000 -0.000 -0.000 3/61731 280.0 117.128 117.128 3.978 0.000 -0.000 -0.000 3/61731 290.0 113.362 113.362 3.834 0.000 -0.000 -0.000 3/61731 300.0 109.844 109.844 3.701 0.000 -0.000 -0.000 3/61731 310.0 106.549 106.549 3.577 0.000 -0.000 -0.000 3/61731 320.0 103.456 103.456 3.461 0.000 -0.000 -0.000 3/61731 330.0 100.546 100.546 3.353 0.000 -0.000 -0.000 3/61731 340.0 97.802 97.802 3.251 0.000 -0.000 -0.000 3/61731 350.0 95.211 95.211 3.156 0.000 -0.000 -0.000 3/61731 360.0 92.760 92.760 3.066 0.000 -0.000 -0.000 3/61731 370.0 90.436 90.436 2.981 0.000 -0.000 -0.000 3/61731 380.0 88.231 88.231 2.901 0.000 -0.000 -0.000 3/61731 390.0 86.135 86.135 2.826 0.000 -0.000 -0.000 3/61731 400.0 84.140 84.140 2.754 0.000 -0.000 -0.000 3/61731 410.0 82.239 82.239 2.686 0.000 -0.000 -0.000 3/61731 420.0 80.424 80.424 2.621 0.000 -0.000 -0.000 3/61731 430.0 78.691 78.691 2.560 0.000 -0.000 -0.000 3/61731 440.0 77.033 77.033 2.501 0.000 -0.000 -0.000 3/61731 450.0 75.445 75.445 2.445 0.000 -0.000 -0.000 3/61731 460.0 73.924 73.924 2.391 0.000 -0.000 -0.000 3/61731 470.0 72.464 72.464 2.340 0.000 -0.000 -0.000 3/61731 480.0 71.063 71.063 2.291 0.000 -0.000 -0.000 3/61731 490.0 69.716 69.716 2.245 0.000 -0.000 -0.000 3/61731 500.0 68.421 68.421 2.200 0.000 -0.000 -0.000 3/61731 510.0 67.174 67.174 2.156 0.000 -0.000 -0.000 3/61731 520.0 65.973 65.973 2.115 0.000 -0.000 -0.000 3/61731 530.0 64.815 64.815 2.075 0.000 -0.000 -0.000 3/61731 540.0 63.698 63.698 2.037 0.000 -0.000 -0.000 3/61731 550.0 62.620 62.620 2.000 0.000 -0.000 -0.000 3/61731 560.0 61.578 61.578 1.964 0.000 -0.000 -0.000 3/61731 570.0 60.571 60.571 1.930 0.000 -0.000 -0.000 3/61731 580.0 59.597 59.597 1.897 0.000 -0.000 -0.000 3/61731 590.0 58.655 58.655 1.865 0.000 -0.000 -0.000 3/61731 600.0 57.743 57.743 1.834 0.000 -0.000 -0.000 3/61731 610.0 56.859 56.859 1.804 0.000 -0.000 -0.000 3/61731 620.0 56.002 56.002 1.775 0.000 -0.000 -0.000 3/61731 630.0 55.171 55.171 1.747 0.000 -0.000 -0.000 3/61731 640.0 54.365 54.365 1.720 0.000 -0.000 -0.000 3/61731 650.0 53.582 53.582 1.694 0.000 -0.000 -0.000 3/61731 660.0 52.822 52.822 1.668 0.000 -0.000 -0.000 3/61731 670.0 52.084 52.084 1.644 0.000 -0.000 -0.000 3/61731 680.0 51.366 51.366 1.620 0.000 -0.000 -0.000 3/61731 690.0 50.668 50.668 1.596 0.000 -0.000 -0.000 3/61731 700.0 49.989 49.989 1.574 0.000 -0.000 -0.000 3/61731 710.0 49.329 49.329 1.552 0.000 -0.000 -0.000 3/61731 720.0 48.685 48.685 1.531 0.000 -0.000 -0.000 3/61731 730.0 48.059 48.059 1.510 0.000 -0.000 -0.000 3/61731 740.0 47.449 47.449 1.490 0.000 -0.000 -0.000 3/61731 750.0 46.854 46.854 1.470 0.000 -0.000 -0.000 3/61731 760.0 46.274 46.274 1.451 0.000 -0.000 -0.000 3/61731 770.0 45.709 45.709 1.432 0.000 -0.000 -0.000 3/61731 780.0 45.157 45.157 1.414 0.000 -0.000 -0.000 3/61731 790.0 44.619 44.619 1.396 0.000 -0.000 -0.000 3/61731 800.0 44.093 44.093 1.379 0.000 -0.000 -0.000 3/61731 810.0 43.580 43.580 1.362 0.000 -0.000 -0.000 3/61731 820.0 43.079 43.079 1.346 0.000 -0.000 -0.000 3/61731 830.0 42.589 42.589 1.330 0.000 -0.000 -0.000 3/61731 840.0 42.110 42.110 1.314 0.000 -0.000 -0.000 3/61731 850.0 41.643 41.643 1.299 0.000 -0.000 -0.000 3/61731 860.0 41.185 41.185 1.284 0.000 -0.000 -0.000 3/61731 870.0 40.738 40.738 1.270 0.000 -0.000 -0.000 3/61731 880.0 40.300 40.300 1.255 0.000 -0.000 -0.000 3/61731 890.0 39.872 39.872 1.241 0.000 -0.000 -0.000 3/61731 900.0 39.453 39.453 1.228 0.000 -0.000 -0.000 3/61731 910.0 39.042 39.042 1.215 0.000 -0.000 -0.000 3/61731 920.0 38.641 38.641 1.202 0.000 -0.000 -0.000 3/61731 930.0 38.247 38.247 1.189 0.000 -0.000 -0.000 3/61731 940.0 37.861 37.861 1.176 0.000 -0.000 -0.000 3/61731 950.0 37.484 37.484 1.164 0.000 -0.000 -0.000 3/61731 960.0 37.113 37.113 1.152 0.000 -0.000 -0.000 3/61731 970.0 36.750 36.750 1.140 0.000 -0.000 -0.000 3/61731 980.0 36.395 36.395 1.129 0.000 -0.000 -0.000 3/61731 990.0 36.046 36.046 1.118 0.000 -0.000 -0.000 3/61731 1000.0 35.703 35.703 1.107 0.000 -0.000 -0.000 3/61731Thermal conductivity related properties were written into "kappa-m191919.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:40:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|