# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/efba4cc2-9b73-41d7-8eea-9692ea45d291/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 Sr2BrN / R-3m (166) / materials id 23056](https://mdr.nims.go.jp/datasets/5623f579-5b04-468a-96ab-5462201e4a16) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 05:17:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 1.946283699059683 1.123687417571486 7.277350979999992 b -1.946283699059680 1.123687417571486 7.277350979999992 c 0.000000000000002 -2.247374835142976 7.277350979999992Atomic positions (fractional): *1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 *2 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 *3 Sr 0.77240849757773 0.77240849757773 0.77240849757773 87.620 4 Sr 0.22759150242227 0.22759150242227 0.22759150242227 87.620-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.892567398119363 0.000000000000000 0.000000000000000 b -1.946283699059682 3.371062252714463 0.000000000000000 c 0.000000000000000 0.000000000000000 21.832052939999997Atomic positions (fractional): *1 N 0.33333333333333 0.66666666666667 0.16666666666667 14.007 > 1 2 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 3 N 0.66666666666667 0.33333333333333 0.83333333333333 14.007 > 1 *4 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 2 5 Br 0.66666666666667 0.33333333333333 0.33333333333333 79.904 > 2 6 Br 0.33333333333333 0.66666666666667 0.66666666666667 79.904 > 2 *7 Sr 0.66666666666667 0.33333333333333 0.10574183091106 87.620 > 3 8 Sr 0.00000000000000 0.00000000000000 0.22759150242227 87.620 > 4 9 Sr 0.33333333333333 0.66666666666667 0.43907516424439 87.620 > 3 10 Sr 0.66666666666667 0.33333333333333 0.56092483575561 87.620 > 4 11 Sr 0.00000000000000 0.00000000000000 0.77240849757773 87.620 > 3 12 Sr 0.33333333333333 0.66666666666667 0.89425816908894 87.620 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 11.677702194358089 0.000000000000000 0.000000000000000 b -5.838851097179045 10.113186758143389 0.000000000000000 c 0.000000000000000 0.000000000000000 21.832052939999997Atomic positions (fractional): *1 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 2 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 3 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 4 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 5 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 6 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 7 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 8 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 9 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 10 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 11 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 12 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 13 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 14 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 15 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 16 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 17 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 18 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 19 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 20 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 21 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 22 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 23 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 24 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 25 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 26 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 27 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 *28 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 2 29 Br 0.33333333333333 0.00000000000000 0.00000000000000 79.904 > 2 30 Br 0.66666666666667 0.00000000000000 0.00000000000000 79.904 > 2 31 Br 0.00000000000000 0.33333333333333 0.00000000000000 79.904 > 2 32 Br 0.33333333333333 0.33333333333333 0.00000000000000 79.904 > 2 33 Br 0.66666666666667 0.33333333333333 0.00000000000000 79.904 > 2 34 Br 0.00000000000000 0.66666666666667 0.00000000000000 79.904 > 2 35 Br 0.33333333333333 0.66666666666667 0.00000000000000 79.904 > 2 36 Br 0.66666666666667 0.66666666666667 0.00000000000000 79.904 > 2 37 Br 0.22222222222222 0.11111111111111 0.33333333333333 79.904 > 2 38 Br 0.55555555555556 0.11111111111111 0.33333333333333 79.904 > 2 39 Br 0.88888888888889 0.11111111111111 0.33333333333333 79.904 > 2 40 Br 0.22222222222222 0.44444444444444 0.33333333333333 79.904 > 2 41 Br 0.55555555555556 0.44444444444444 0.33333333333333 79.904 > 2 42 Br 0.88888888888889 0.44444444444444 0.33333333333333 79.904 > 2 43 Br 0.22222222222222 0.77777777777778 0.33333333333333 79.904 > 2 44 Br 0.55555555555556 0.77777777777778 0.33333333333333 79.904 > 2 45 Br 0.88888888888889 0.77777777777778 0.33333333333333 79.904 > 2 46 Br 0.11111111111111 0.22222222222222 0.66666666666667 79.904 > 2 47 Br 0.44444444444444 0.22222222222222 0.66666666666667 79.904 > 2 48 Br 0.77777777777778 0.22222222222222 0.66666666666667 79.904 > 2 49 Br 0.11111111111111 0.55555555555556 0.66666666666667 79.904 > 2 50 Br 0.44444444444444 0.55555555555556 0.66666666666667 79.904 > 2 51 Br 0.77777777777778 0.55555555555556 0.66666666666667 79.904 > 2 52 Br 0.11111111111111 0.88888888888889 0.66666666666667 79.904 > 2 53 Br 0.44444444444444 0.88888888888889 0.66666666666667 79.904 > 2 54 Br 0.77777777777778 0.88888888888889 0.66666666666667 79.904 > 2 *55 Sr 0.22222222222222 0.11111111111111 0.10574183091106 87.620 > 3 56 Sr 0.55555555555556 0.11111111111111 0.10574183091106 87.620 > 3 57 Sr 0.88888888888889 0.11111111111111 0.10574183091106 87.620 > 3 58 Sr 0.22222222222222 0.44444444444444 0.10574183091106 87.620 > 3 59 Sr 0.55555555555556 0.44444444444444 0.10574183091106 87.620 > 3 60 Sr 0.88888888888889 0.44444444444444 0.10574183091106 87.620 > 3 61 Sr 0.22222222222222 0.77777777777778 0.10574183091106 87.620 > 3 62 Sr 0.55555555555556 0.77777777777778 0.10574183091106 87.620 > 3 63 Sr 0.88888888888889 0.77777777777778 0.10574183091106 87.620 > 3 64 Sr 0.00000000000000 0.00000000000000 0.22759150242227 87.620 > 4 65 Sr 0.33333333333333 0.00000000000000 0.22759150242227 87.620 > 4 66 Sr 0.66666666666667 0.00000000000000 0.22759150242227 87.620 > 4 67 Sr 0.00000000000000 0.33333333333333 0.22759150242227 87.620 > 4 68 Sr 0.33333333333333 0.33333333333333 0.22759150242227 87.620 > 4 69 Sr 0.66666666666667 0.33333333333333 0.22759150242227 87.620 > 4 70 Sr 0.00000000000000 0.66666666666667 0.22759150242227 87.620 > 4 71 Sr 0.33333333333333 0.66666666666667 0.22759150242227 87.620 > 4 72 Sr 0.66666666666667 0.66666666666667 0.22759150242227 87.620 > 4 73 Sr 0.11111111111111 0.22222222222222 0.43907516424439 87.620 > 3 74 Sr 0.44444444444444 0.22222222222222 0.43907516424439 87.620 > 3 75 Sr 0.77777777777778 0.22222222222222 0.43907516424439 87.620 > 3 76 Sr 0.11111111111111 0.55555555555556 0.43907516424439 87.620 > 3 77 Sr 0.44444444444444 0.55555555555556 0.43907516424439 87.620 > 3 78 Sr 0.77777777777778 0.55555555555556 0.43907516424439 87.620 > 3 79 Sr 0.11111111111111 0.88888888888889 0.43907516424439 87.620 > 3 80 Sr 0.44444444444444 0.88888888888889 0.43907516424439 87.620 > 3 81 Sr 0.77777777777778 0.88888888888889 0.43907516424439 87.620 > 3 82 Sr 0.22222222222222 0.11111111111111 0.56092483575561 87.620 > 4 83 Sr 0.55555555555556 0.11111111111111 0.56092483575561 87.620 > 4 84 Sr 0.88888888888889 0.11111111111111 0.56092483575561 87.620 > 4 85 Sr 0.22222222222222 0.44444444444444 0.56092483575561 87.620 > 4 86 Sr 0.55555555555556 0.44444444444444 0.56092483575561 87.620 > 4 87 Sr 0.88888888888889 0.44444444444444 0.56092483575561 87.620 > 4 88 Sr 0.22222222222222 0.77777777777778 0.56092483575561 87.620 > 4 89 Sr 0.55555555555556 0.77777777777778 0.56092483575561 87.620 > 4 90 Sr 0.88888888888889 0.77777777777778 0.56092483575561 87.620 > 4 91 Sr 0.00000000000000 0.00000000000000 0.77240849757773 87.620 > 3 92 Sr 0.33333333333333 0.00000000000000 0.77240849757773 87.620 > 3 93 Sr 0.66666666666667 0.00000000000000 0.77240849757773 87.620 > 3 94 Sr 0.00000000000000 0.33333333333333 0.77240849757773 87.620 > 3 95 Sr 0.33333333333333 0.33333333333333 0.77240849757773 87.620 > 3 96 Sr 0.66666666666667 0.33333333333333 0.77240849757773 87.620 > 3 97 Sr 0.00000000000000 0.66666666666667 0.77240849757773 87.620 > 3 98 Sr 0.33333333333333 0.66666666666667 0.77240849757773 87.620 > 3 99 Sr 0.66666666666667 0.66666666666667 0.77240849757773 87.620 > 3 100 Sr 0.11111111111111 0.22222222222222 0.89425816908894 87.620 > 4 101 Sr 0.44444444444444 0.22222222222222 0.89425816908894 87.620 > 4 102 Sr 0.77777777777778 0.22222222222222 0.89425816908894 87.620 > 4 103 Sr 0.11111111111111 0.55555555555556 0.89425816908894 87.620 > 4 104 Sr 0.44444444444444 0.55555555555556 0.89425816908894 87.620 > 4 105 Sr 0.77777777777778 0.55555555555556 0.89425816908894 87.620 > 4 106 Sr 0.11111111111111 0.88888888888889 0.89425816908894 87.620 > 4 107 Sr 0.44444444444444 0.88888888888889 0.89425816908894 87.620 > 4 108 Sr 0.77777777777778 0.88888888888889 0.89425816908894 87.620 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2787621 -0.0000000 0.0000000 0.0000000 5.2787621 0.0000000 0.0000000 0.0000000 4.9745236-------------------------- Born effective charges -------------------------- 1 N -3.5107718 -0.0000000 0.0000000 0.0000000 -3.5107718 0.0000000 0.0000000 0.0000000 -2.3269914 2 Br -1.2382610 0.0000000 0.0000000 0.0000000 -1.2382610 0.0000000 0.0000000 0.0000000 -1.8411102 3 Sr 2.3745164 -0.0000000 0.0000000 0.0000000 2.3745164 0.0000000 0.0000000 0.0000000 2.0840508 4 Sr 2.3745164 -0.0000000 0.0000000 0.0000000 2.3745164 0.0000000 0.0000000 0.0000000 2.0840508----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.164Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.171--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), 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 2026-01-08 05:17:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:17:39]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.946283699059683 1.123687417571486 7.277350979999992 b -1.946283699059680 1.123687417571486 7.277350979999992 c 0.000000000000002 -2.247374835142976 7.277350979999992Atomic positions (fractional): 1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 2 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 3 Sr 0.77240849757773 0.77240849757773 0.77240849757773 87.620 4 Sr 0.22759150242227 0.22759150242227 0.22759150242227 87.620-------------------------------- supercell ---------------------------------Lattice vectors: a 11.677702194358089 0.000000000000000 0.000000000000000 b -5.838851097179045 10.113186758143389 0.000000000000000 c 0.000000000000000 0.000000000000000 21.832052939999997Atomic positions (fractional): 1 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 2 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 3 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 4 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 5 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 6 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 7 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 8 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 9 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 10 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 11 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 12 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 13 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 14 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 15 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 16 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 17 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 18 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 19 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 20 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 21 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 22 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 23 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 24 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 25 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 26 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 27 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 28 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 28 29 Br 0.33333333333333 0.00000000000000 0.00000000000000 79.904 > 28 30 Br 0.66666666666667 0.00000000000000 0.00000000000000 79.904 > 28 31 Br 0.00000000000000 0.33333333333333 0.00000000000000 79.904 > 28 32 Br 0.33333333333333 0.33333333333333 0.00000000000000 79.904 > 28 33 Br 0.66666666666667 0.33333333333333 0.00000000000000 79.904 > 28 34 Br 0.00000000000000 0.66666666666667 0.00000000000000 79.904 > 28 35 Br 0.33333333333333 0.66666666666667 0.00000000000000 79.904 > 28 36 Br 0.66666666666667 0.66666666666667 0.00000000000000 79.904 > 28 37 Br 0.22222222222222 0.11111111111111 0.33333333333333 79.904 > 28 38 Br 0.55555555555556 0.11111111111111 0.33333333333333 79.904 > 28 39 Br 0.88888888888889 0.11111111111111 0.33333333333333 79.904 > 28 40 Br 0.22222222222222 0.44444444444444 0.33333333333333 79.904 > 28 41 Br 0.55555555555556 0.44444444444444 0.33333333333333 79.904 > 28 42 Br 0.88888888888889 0.44444444444444 0.33333333333333 79.904 > 28 43 Br 0.22222222222222 0.77777777777778 0.33333333333333 79.904 > 28 44 Br 0.55555555555556 0.77777777777778 0.33333333333333 79.904 > 28 45 Br 0.88888888888889 0.77777777777778 0.33333333333333 79.904 > 28 46 Br 0.11111111111111 0.22222222222222 0.66666666666667 79.904 > 28 47 Br 0.44444444444444 0.22222222222222 0.66666666666667 79.904 > 28 48 Br 0.77777777777778 0.22222222222222 0.66666666666667 79.904 > 28 49 Br 0.11111111111111 0.55555555555556 0.66666666666667 79.904 > 28 50 Br 0.44444444444444 0.55555555555556 0.66666666666667 79.904 > 28 51 Br 0.77777777777778 0.55555555555556 0.66666666666667 79.904 > 28 52 Br 0.11111111111111 0.88888888888889 0.66666666666667 79.904 > 28 53 Br 0.44444444444444 0.88888888888889 0.66666666666667 79.904 > 28 54 Br 0.77777777777778 0.88888888888889 0.66666666666667 79.904 > 28 55 Sr 0.22222222222222 0.11111111111111 0.10574183091106 87.620 > 55 56 Sr 0.55555555555556 0.11111111111111 0.10574183091106 87.620 > 55 57 Sr 0.88888888888889 0.11111111111111 0.10574183091106 87.620 > 55 58 Sr 0.22222222222222 0.44444444444444 0.10574183091106 87.620 > 55 59 Sr 0.55555555555556 0.44444444444444 0.10574183091106 87.620 > 55 60 Sr 0.88888888888889 0.44444444444444 0.10574183091106 87.620 > 55 61 Sr 0.22222222222222 0.77777777777778 0.10574183091106 87.620 > 55 62 Sr 0.55555555555556 0.77777777777778 0.10574183091106 87.620 > 55 63 Sr 0.88888888888889 0.77777777777778 0.10574183091106 87.620 > 55 64 Sr 0.00000000000000 0.00000000000000 0.22759150242227 87.620 > 64 65 Sr 0.33333333333333 0.00000000000000 0.22759150242227 87.620 > 64 66 Sr 0.66666666666667 0.00000000000000 0.22759150242227 87.620 > 64 67 Sr 0.00000000000000 0.33333333333333 0.22759150242227 87.620 > 64 68 Sr 0.33333333333333 0.33333333333333 0.22759150242227 87.620 > 64 69 Sr 0.66666666666667 0.33333333333333 0.22759150242227 87.620 > 64 70 Sr 0.00000000000000 0.66666666666667 0.22759150242227 87.620 > 64 71 Sr 0.33333333333333 0.66666666666667 0.22759150242227 87.620 > 64 72 Sr 0.66666666666667 0.66666666666667 0.22759150242227 87.620 > 64 73 Sr 0.11111111111111 0.22222222222222 0.43907516424439 87.620 > 55 74 Sr 0.44444444444444 0.22222222222222 0.43907516424439 87.620 > 55 75 Sr 0.77777777777778 0.22222222222222 0.43907516424439 87.620 > 55 76 Sr 0.11111111111111 0.55555555555556 0.43907516424439 87.620 > 55 77 Sr 0.44444444444444 0.55555555555556 0.43907516424439 87.620 > 55 78 Sr 0.77777777777778 0.55555555555556 0.43907516424439 87.620 > 55 79 Sr 0.11111111111111 0.88888888888889 0.43907516424439 87.620 > 55 80 Sr 0.44444444444444 0.88888888888889 0.43907516424439 87.620 > 55 81 Sr 0.77777777777778 0.88888888888889 0.43907516424439 87.620 > 55 82 Sr 0.22222222222222 0.11111111111111 0.56092483575561 87.620 > 64 83 Sr 0.55555555555556 0.11111111111111 0.56092483575561 87.620 > 64 84 Sr 0.88888888888889 0.11111111111111 0.56092483575561 87.620 > 64 85 Sr 0.22222222222222 0.44444444444444 0.56092483575561 87.620 > 64 86 Sr 0.55555555555556 0.44444444444444 0.56092483575561 87.620 > 64 87 Sr 0.88888888888889 0.44444444444444 0.56092483575561 87.620 > 64 88 Sr 0.22222222222222 0.77777777777778 0.56092483575561 87.620 > 64 89 Sr 0.55555555555556 0.77777777777778 0.56092483575561 87.620 > 64 90 Sr 0.88888888888889 0.77777777777778 0.56092483575561 87.620 > 64 91 Sr 0.00000000000000 0.00000000000000 0.77240849757773 87.620 > 55 92 Sr 0.33333333333333 0.00000000000000 0.77240849757773 87.620 > 55 93 Sr 0.66666666666667 0.00000000000000 0.77240849757773 87.620 > 55 94 Sr 0.00000000000000 0.33333333333333 0.77240849757773 87.620 > 55 95 Sr 0.33333333333333 0.33333333333333 0.77240849757773 87.620 > 55 96 Sr 0.66666666666667 0.33333333333333 0.77240849757773 87.620 > 55 97 Sr 0.00000000000000 0.66666666666667 0.77240849757773 87.620 > 55 98 Sr 0.33333333333333 0.66666666666667 0.77240849757773 87.620 > 55 99 Sr 0.66666666666667 0.66666666666667 0.77240849757773 87.620 > 55 100 Sr 0.11111111111111 0.22222222222222 0.89425816908894 87.620 > 64 101 Sr 0.44444444444444 0.22222222222222 0.89425816908894 87.620 > 64 102 Sr 0.77777777777778 0.22222222222222 0.89425816908894 87.620 > 64 103 Sr 0.11111111111111 0.55555555555556 0.89425816908894 87.620 > 64 104 Sr 0.44444444444444 0.55555555555556 0.89425816908894 87.620 > 64 105 Sr 0.77777777777778 0.55555555555556 0.89425816908894 87.620 > 64 106 Sr 0.11111111111111 0.88888888888889 0.89425816908894 87.620 > 64 107 Sr 0.44444444444444 0.88888888888889 0.89425816908894 87.620 > 64 108 Sr 0.77777777777778 0.88888888888889 0.89425816908894 87.620 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2787621 -0.0000000 0.0000000 0.0000000 5.2787621 0.0000000 0.0000000 0.0000000 4.9745236-------------------------- Born effective charges -------------------------- 1 N -3.5107718 -0.0000000 0.0000000 0.0000000 -3.5107718 0.0000000 0.0000000 0.0000000 -2.3269914 2 Br -1.2382610 0.0000000 0.0000000 0.0000000 -1.2382610 0.0000000 0.0000000 0.0000000 -1.8411102 3 Sr 2.3745164 -0.0000000 0.0000000 0.0000000 2.3745164 0.0000000 0.0000000 0.0000000 2.0840508 4 Sr 2.3745164 -0.0000000 0.0000000 0.0000000 2.3745164 0.0000000 0.0000000 0.0000000 2.0840508----------------------------------------------------------------------------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[ 28, 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[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:17:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:17:44]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.946283699059683 1.123687417571486 7.277350979999992 b -1.946283699059680 1.123687417571486 7.277350979999992 c 0.000000000000002 -2.247374835142976 7.277350979999992Atomic positions (fractional): 1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 2 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 3 Sr 0.77240849757773 0.77240849757773 0.77240849757773 87.620 4 Sr 0.22759150242227 0.22759150242227 0.22759150242227 87.620-------------------------------- supercell ---------------------------------Lattice vectors: a 11.677702194358089 0.000000000000000 0.000000000000000 b -5.838851097179045 10.113186758143389 0.000000000000000 c 0.000000000000000 0.000000000000000 21.832052939999997Atomic positions (fractional): 1 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 2 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 3 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 4 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 5 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 6 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 7 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 8 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 9 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 10 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 11 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 12 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 13 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 14 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 15 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 16 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 17 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 18 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 19 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 20 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 21 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 22 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 23 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 24 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 25 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 26 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 27 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 28 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 28 29 Br 0.33333333333333 0.00000000000000 0.00000000000000 79.904 > 28 30 Br 0.66666666666667 0.00000000000000 0.00000000000000 79.904 > 28 31 Br 0.00000000000000 0.33333333333333 0.00000000000000 79.904 > 28 32 Br 0.33333333333333 0.33333333333333 0.00000000000000 79.904 > 28 33 Br 0.66666666666667 0.33333333333333 0.00000000000000 79.904 > 28 34 Br 0.00000000000000 0.66666666666667 0.00000000000000 79.904 > 28 35 Br 0.33333333333333 0.66666666666667 0.00000000000000 79.904 > 28 36 Br 0.66666666666667 0.66666666666667 0.00000000000000 79.904 > 28 37 Br 0.22222222222222 0.11111111111111 0.33333333333333 79.904 > 28 38 Br 0.55555555555556 0.11111111111111 0.33333333333333 79.904 > 28 39 Br 0.88888888888889 0.11111111111111 0.33333333333333 79.904 > 28 40 Br 0.22222222222222 0.44444444444444 0.33333333333333 79.904 > 28 41 Br 0.55555555555556 0.44444444444444 0.33333333333333 79.904 > 28 42 Br 0.88888888888889 0.44444444444444 0.33333333333333 79.904 > 28 43 Br 0.22222222222222 0.77777777777778 0.33333333333333 79.904 > 28 44 Br 0.55555555555556 0.77777777777778 0.33333333333333 79.904 > 28 45 Br 0.88888888888889 0.77777777777778 0.33333333333333 79.904 > 28 46 Br 0.11111111111111 0.22222222222222 0.66666666666667 79.904 > 28 47 Br 0.44444444444444 0.22222222222222 0.66666666666667 79.904 > 28 48 Br 0.77777777777778 0.22222222222222 0.66666666666667 79.904 > 28 49 Br 0.11111111111111 0.55555555555556 0.66666666666667 79.904 > 28 50 Br 0.44444444444444 0.55555555555556 0.66666666666667 79.904 > 28 51 Br 0.77777777777778 0.55555555555556 0.66666666666667 79.904 > 28 52 Br 0.11111111111111 0.88888888888889 0.66666666666667 79.904 > 28 53 Br 0.44444444444444 0.88888888888889 0.66666666666667 79.904 > 28 54 Br 0.77777777777778 0.88888888888889 0.66666666666667 79.904 > 28 55 Sr 0.22222222222222 0.11111111111111 0.10574183091106 87.620 > 55 56 Sr 0.55555555555556 0.11111111111111 0.10574183091106 87.620 > 55 57 Sr 0.88888888888889 0.11111111111111 0.10574183091106 87.620 > 55 58 Sr 0.22222222222222 0.44444444444444 0.10574183091106 87.620 > 55 59 Sr 0.55555555555556 0.44444444444444 0.10574183091106 87.620 > 55 60 Sr 0.88888888888889 0.44444444444444 0.10574183091106 87.620 > 55 61 Sr 0.22222222222222 0.77777777777778 0.10574183091106 87.620 > 55 62 Sr 0.55555555555556 0.77777777777778 0.10574183091106 87.620 > 55 63 Sr 0.88888888888889 0.77777777777778 0.10574183091106 87.620 > 55 64 Sr 0.00000000000000 0.00000000000000 0.22759150242227 87.620 > 64 65 Sr 0.33333333333333 0.00000000000000 0.22759150242227 87.620 > 64 66 Sr 0.66666666666667 0.00000000000000 0.22759150242227 87.620 > 64 67 Sr 0.00000000000000 0.33333333333333 0.22759150242227 87.620 > 64 68 Sr 0.33333333333333 0.33333333333333 0.22759150242227 87.620 > 64 69 Sr 0.66666666666667 0.33333333333333 0.22759150242227 87.620 > 64 70 Sr 0.00000000000000 0.66666666666667 0.22759150242227 87.620 > 64 71 Sr 0.33333333333333 0.66666666666667 0.22759150242227 87.620 > 64 72 Sr 0.66666666666667 0.66666666666667 0.22759150242227 87.620 > 64 73 Sr 0.11111111111111 0.22222222222222 0.43907516424439 87.620 > 55 74 Sr 0.44444444444444 0.22222222222222 0.43907516424439 87.620 > 55 75 Sr 0.77777777777778 0.22222222222222 0.43907516424439 87.620 > 55 76 Sr 0.11111111111111 0.55555555555556 0.43907516424439 87.620 > 55 77 Sr 0.44444444444444 0.55555555555556 0.43907516424439 87.620 > 55 78 Sr 0.77777777777778 0.55555555555556 0.43907516424439 87.620 > 55 79 Sr 0.11111111111111 0.88888888888889 0.43907516424439 87.620 > 55 80 Sr 0.44444444444444 0.88888888888889 0.43907516424439 87.620 > 55 81 Sr 0.77777777777778 0.88888888888889 0.43907516424439 87.620 > 55 82 Sr 0.22222222222222 0.11111111111111 0.56092483575561 87.620 > 64 83 Sr 0.55555555555556 0.11111111111111 0.56092483575561 87.620 > 64 84 Sr 0.88888888888889 0.11111111111111 0.56092483575561 87.620 > 64 85 Sr 0.22222222222222 0.44444444444444 0.56092483575561 87.620 > 64 86 Sr 0.55555555555556 0.44444444444444 0.56092483575561 87.620 > 64 87 Sr 0.88888888888889 0.44444444444444 0.56092483575561 87.620 > 64 88 Sr 0.22222222222222 0.77777777777778 0.56092483575561 87.620 > 64 89 Sr 0.55555555555556 0.77777777777778 0.56092483575561 87.620 > 64 90 Sr 0.88888888888889 0.77777777777778 0.56092483575561 87.620 > 64 91 Sr 0.00000000000000 0.00000000000000 0.77240849757773 87.620 > 55 92 Sr 0.33333333333333 0.00000000000000 0.77240849757773 87.620 > 55 93 Sr 0.66666666666667 0.00000000000000 0.77240849757773 87.620 > 55 94 Sr 0.00000000000000 0.33333333333333 0.77240849757773 87.620 > 55 95 Sr 0.33333333333333 0.33333333333333 0.77240849757773 87.620 > 55 96 Sr 0.66666666666667 0.33333333333333 0.77240849757773 87.620 > 55 97 Sr 0.00000000000000 0.66666666666667 0.77240849757773 87.620 > 55 98 Sr 0.33333333333333 0.66666666666667 0.77240849757773 87.620 > 55 99 Sr 0.66666666666667 0.66666666666667 0.77240849757773 87.620 > 55 100 Sr 0.11111111111111 0.22222222222222 0.89425816908894 87.620 > 64 101 Sr 0.44444444444444 0.22222222222222 0.89425816908894 87.620 > 64 102 Sr 0.77777777777778 0.22222222222222 0.89425816908894 87.620 > 64 103 Sr 0.11111111111111 0.55555555555556 0.89425816908894 87.620 > 64 104 Sr 0.44444444444444 0.55555555555556 0.89425816908894 87.620 > 64 105 Sr 0.77777777777778 0.55555555555556 0.89425816908894 87.620 > 64 106 Sr 0.11111111111111 0.88888888888889 0.89425816908894 87.620 > 64 107 Sr 0.44444444444444 0.88888888888889 0.89425816908894 87.620 > 64 108 Sr 0.77777777777778 0.88888888888889 0.89425816908894 87.620 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.2787621 -0.0000000 0.0000000 0.0000000 5.2787621 0.0000000 0.0000000 0.0000000 4.9745236-------------------------- Born effective charges -------------------------- 1 N -3.5107718 -0.0000000 0.0000000 0.0000000 -3.5107718 0.0000000 0.0000000 0.0000000 -2.3269914 2 Br -1.2382610 0.0000000 0.0000000 0.0000000 -1.2382610 0.0000000 0.0000000 0.0000000 -1.8411102 3 Sr 2.3745164 -0.0000000 0.0000000 0.0000000 2.3745164 0.0000000 0.0000000 0.0000000 2.0840508 4 Sr 2.3745164 -0.0000000 0.0000000 0.0000000 2.3745164 0.0000000 0.0000000 0.0000000 2.0840508----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: 0.00000000 (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 ... [ 15 15 15 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.91, Number of G-points: 301, Lambda: 0.22Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 11.178 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.436 ( 19.460 11.235 -1.284) 22.507 0.450 ( 20.214 11.671 -3.775) 23.645 0.910 ( 37.154 21.451 12.195) 44.601 2.423 ( 1.757 1.014 0.743) 2.160 2.762 ( 6.838 3.948 -6.835) 10.443 3.227 ( 1.482 0.856 -0.166) 1.719 3.256 ( 3.360 1.940 0.725) 3.947 3.739 ( 2.061 1.190 5.672) 6.151 5.914 ( -5.189 -2.996 -0.507) 6.013 7.287 ( -1.038 -0.599 0.030) 1.199 10.985 ( 3.442 1.987 -60.099) 60.230 11.969 ( -7.176 -4.143 30.320) 31.432======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( 20.299 11.720 -3.877) 23.758 0.898 ( 19.915 11.498 -3.463) 23.255 1.743 ( 31.932 18.436 11.436) 38.604 2.486 ( 3.433 1.982 1.486) 4.234 2.959 ( 12.096 6.983 -8.278) 16.236 3.274 ( 2.562 1.479 -0.351) 2.979 3.333 ( 2.651 1.530 1.824) 3.563 3.861 ( 7.941 4.585 2.195) 9.429 5.746 ( -9.016 -5.205 -0.727) 10.436 7.262 ( -0.899 -0.519 0.007) 1.038 10.774 ( -14.507 -8.376 -1.292) 16.801 11.914 ( 0.438 0.253 -10.468) 10.480======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( 18.393 10.619 -3.250) 21.486 1.337 ( 20.874 12.051 -6.896) 25.070 2.403 ( 22.519 13.001 9.699) 27.753 2.588 ( 5.000 2.887 2.169) 6.167 3.204 ( 8.523 4.921 -10.271) 14.225 3.338 ( 3.034 1.751 -0.493) 3.537 3.439 ( 9.051 5.226 4.028) 11.201 4.105 ( 12.399 7.159 1.517) 14.397 5.516 ( -10.463 -6.041 -0.613) 12.097 7.258 ( 0.775 0.448 -0.075) 0.898 10.313 ( -26.440 -15.265 10.207) 32.191 11.931 ( 4.195 2.422 -15.658) 16.390======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 14.999 8.660 -3.139) 17.601 1.791 ( 20.951 12.096 -9.310) 25.922 2.725 ( 6.260 3.614 2.522) 7.656 2.826 ( 12.632 7.293 5.705) 15.662 3.276 ( 2.327 1.344 -2.652) 3.775 3.405 ( 2.908 1.679 -0.478) 3.391 3.753 ( 13.981 8.072 0.870) 16.167 4.415 ( 13.916 8.034 0.551) 16.078 5.293 ( -8.124 -4.690 -0.295) 9.385 7.303 ( 3.202 1.849 -0.152) 3.700 9.667 ( -31.715 -18.311 8.254) 37.540 11.989 ( 4.138 2.389 -10.931) 11.930======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 10.355 5.979 -2.727) 12.264 2.232 ( 20.222 11.675 -10.398) 25.561 2.880 ( 6.452 3.725 2.165) 7.759 3.020 ( 4.106 2.370 -0.418) 4.759 3.363 ( 5.219 3.013 5.630) 8.248 3.464 ( 2.312 1.335 -0.279) 2.684 3.984 ( 5.178 2.990 0.438) 5.995 4.694 ( 8.929 5.155 -0.284) 10.315 5.199 ( 1.323 0.764 -0.246) 1.547 7.398 ( 4.850 2.800 -0.155) 5.603 8.959 ( -31.031 -17.916 4.765) 36.147 12.044 ( 2.889 1.668 -6.240) 7.076======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.162 ( 5.831 3.367 -1.808) 6.972 2.635 ( 17.077 9.859 -9.510) 21.892 3.018 ( 4.836 2.792 1.247) 5.721 3.062 ( 0.840 0.485 -1.823) 2.065 3.507 ( 1.431 0.826 -0.042) 1.653 3.517 ( 5.579 3.221 8.993) 11.062 3.991 ( -3.798 -2.193 -0.757) 4.450 4.812 ( 2.741 1.583 0.250) 3.175 5.330 ( 7.875 4.547 -0.824) 9.131 7.508 ( 4.412 2.547 -0.094) 5.095 8.331 ( -23.614 -13.633 2.144) 27.351 12.082 ( 1.626 0.938 -3.027) 3.562======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( 1.869 1.079 -0.622) 2.245 2.910 ( 7.548 4.358 -4.489) 9.804 3.068 ( 0.231 0.133 -0.839) 0.880 3.098 ( 1.776 1.025 0.364) 2.083 3.528 ( 0.472 0.273 0.028) 0.546 3.666 ( 5.346 3.087 7.723) 9.887 3.852 ( -6.568 -3.792 -3.438) 8.327 4.854 ( 0.952 0.550 0.215) 1.120 5.468 ( 3.433 1.982 -0.447) 3.989 7.581 ( 1.779 1.027 -0.028) 2.054 7.950 ( -9.042 -5.221 0.558) 10.456 12.100 ( 0.522 0.302 -0.885) 1.071======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( -0.000 22.386 12.912) 25.843 0.532 ( -0.000 22.646 13.421) 26.324 0.871 ( -0.000 41.233 5.410) 41.586 2.401 ( 0.000 1.209 -3.946) 4.127 2.757 ( 0.000 10.112 -7.401) 12.531 3.233 ( -0.000 1.919 1.035) 2.180 3.252 ( 0.000 3.508 -0.038) 3.508 3.757 ( -0.000 -0.421 8.754) 8.764 5.911 ( 0.000 -6.027 -1.019) 6.113 7.289 ( -0.000 -1.157 0.374) 1.216 10.671 ( 0.000 25.286 -97.548) 100.772 12.146 ( -0.000 -16.959 42.684) 45.930======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.730 ( 4.899 19.511 10.832) 22.847 0.929 ( 8.121 26.027 0.704) 27.274 1.518 ( 23.374 29.498 10.656) 39.115 2.440 ( 3.812 1.645 -3.368) 5.346 2.885 ( 4.543 12.495 -7.446) 15.238 3.273 ( 0.886 3.327 0.174) 3.447 3.304 ( 2.548 1.884 0.864) 3.285 3.821 ( 3.517 5.251 3.108) 7.043 5.794 ( -4.649 -8.244 -1.345) 9.560 7.271 ( -0.671 -0.880 0.353) 1.161 10.705 ( 6.622 -3.670 -31.521) 32.417 11.989 ( -10.121 -3.833 6.647) 12.701======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 13.297 15.904 3.990) 21.111 1.328 ( 9.207 25.050 -3.392) 26.904 2.196 ( 22.349 18.726 11.006) 31.165 2.536 ( 5.386 3.140 -1.656) 6.451 3.097 ( 7.558 11.523 -11.540) 17.974 3.334 ( 2.647 5.192 0.714) 5.872 3.380 ( 3.886 2.530 2.140) 5.107 4.003 ( 8.491 8.290 2.308) 12.089 5.596 ( -7.602 -9.034 -1.284) 11.877 7.263 ( -0.060 0.883 0.258) 0.922 10.521 ( -11.404 -17.969 3.477) 21.565 11.860 ( -1.655 2.243 -14.544) 14.809======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 15.546 13.152 -0.087) 20.363 1.712 ( 9.742 22.444 -5.912) 25.171 2.670 ( 7.361 5.315 0.213) 9.082 2.692 ( 13.855 9.646 8.104) 18.726 3.205 ( 3.061 0.949 -8.568) 9.148 3.444 ( 0.757 7.647 0.685) 7.715 3.610 ( 13.339 11.298 0.329) 17.483 4.270 ( 11.908 8.003 2.186) 14.513 5.370 ( -7.855 -7.846 -0.901) 11.138 7.299 ( 1.469 4.085 0.167) 4.345 10.015 ( -25.834 -20.704 9.224) 34.368 11.868 ( 5.034 0.459 -14.428) 15.288======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( 12.742 10.685 -0.954) 16.656 2.073 ( 11.625 18.864 -8.611) 23.773 2.833 ( 5.894 6.134 0.500) 8.521 2.965 ( 6.479 4.704 2.162) 8.293 3.256 ( 6.174 -0.859 -0.626) 6.265 3.530 ( -0.261 8.360 1.307) 8.466 3.914 ( 8.488 8.278 -0.879) 11.889 4.561 ( 12.337 5.894 1.332) 13.737 5.203 ( -3.230 -3.762 -0.367) 4.972 7.395 ( 2.646 7.880 0.134) 8.313 9.341 ( -31.314 -18.762 6.255) 37.037 11.923 ( 6.585 -3.082 -8.943) 11.526======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( 6.193 8.861 -0.688) 10.832 2.439 ( 14.806 14.173 -9.537) 22.607 2.982 ( 4.433 4.467 0.353) 6.303 3.050 ( 1.270 2.874 -2.318) 3.904 3.390 ( 7.721 -0.133 4.603) 8.990 3.608 ( -0.859 8.312 2.613) 8.755 4.023 ( -0.959 1.722 -1.284) 2.353 4.764 ( 5.661 2.213 0.848) 6.137 5.225 ( 6.803 1.436 -0.110) 6.954 7.534 ( 2.104 11.014 0.180) 11.215 8.659 ( -29.428 -14.124 3.107) 32.790 11.970 ( 6.494 -5.893 -4.735) 9.967======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( 1.326 6.816 -0.374) 6.954 2.770 ( 12.600 8.328 -7.341) 16.793 3.043 ( 1.675 -0.693 -1.304) 2.233 3.110 ( 0.680 5.554 -0.593) 5.627 3.508 ( 3.811 0.890 2.917) 4.881 3.683 ( 0.325 5.455 4.918) 7.352 3.943 ( -7.144 -0.034 -2.442) 7.550 4.838 ( 1.896 0.950 0.516) 2.182 5.379 ( 7.747 0.199 0.368) 7.758 7.672 ( -0.177 13.177 0.242) 13.180 8.122 ( -20.415 -7.371 1.077) 21.731 12.000 ( 6.069 -7.713 -2.095) 10.035======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( -2.479 4.569 0.288) 5.206 2.939 ( 2.361 0.117 -0.499) 2.416 3.055 ( 1.082 -0.870 -0.747) 1.576 3.144 ( -2.117 3.650 -0.449) 4.243 3.546 ( -1.098 0.551 -0.071) 1.231 3.714 ( -2.550 -1.639 -0.705) 3.113 3.859 ( -2.176 7.378 0.306) 7.699 4.859 ( -0.062 -0.139 -0.122) 0.195 5.453 ( 2.129 -3.637 1.359) 4.428 7.781 ( -10.789 18.397 -0.076) 21.327 7.861 ( 2.082 -3.814 0.290) 4.355 12.014 ( 5.466 -8.614 -0.309) 10.206======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.263 ( -6.150 1.955 1.122) 6.550 2.838 ( -11.365 -5.840 7.506) 14.819 3.050 ( -0.545 -1.541 0.012) 1.635 3.111 ( -4.490 2.327 -0.296) 5.066 3.474 ( -3.390 -4.583 -5.002) 7.583 3.641 ( -5.198 4.492 -3.950) 7.924 3.959 ( 3.215 5.537 0.965) 6.475 4.834 ( -1.782 -1.380 -0.376) 2.285 5.386 ( -4.215 -6.595 1.988) 8.075 7.670 ( -11.134 6.428 -0.158) 12.857 8.114 ( 15.737 14.026 -0.670) 21.091 12.016 ( 4.588 -8.684 1.362) 9.915======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( -10.273 -1.689 2.013) 10.604 2.531 ( -19.447 -5.752 10.607) 22.886 2.970 ( -6.698 -1.031 -2.283) 7.151 3.064 ( -3.078 -0.399 0.770) 3.198 3.343 ( -3.014 -5.769 -5.799) 8.717 3.586 ( -6.104 5.199 -2.089) 8.286 4.025 ( -1.204 1.761 -0.942) 2.332 4.762 ( -4.525 -4.037 0.444) 6.080 5.232 ( -5.147 -5.280 1.303) 7.488 7.533 ( -10.431 3.458 -0.049) 10.989 8.634 ( 25.627 18.255 -2.455) 31.560 12.008 ( 3.336 -8.037 3.476) 9.371======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( -15.095 -6.657 3.028) 16.773 2.159 ( -22.932 -1.645 9.893) 25.029 2.817 ( -8.289 -1.138 -2.996) 8.887 2.934 ( -9.191 -5.552 -4.162) 11.515 3.264 ( 0.019 -2.476 0.622) 2.553 3.518 ( -6.477 3.939 -1.118) 7.663 3.912 ( -11.294 -2.768 -1.476) 11.721 4.559 ( -11.753 -8.391 0.889) 14.468 5.205 ( 4.849 1.047 0.206) 4.965 7.395 ( -8.048 1.455 0.044) 8.179 9.289 ( 30.097 17.644 -4.861) 35.225 11.993 ( 1.718 -6.710 6.200) 9.296======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( -19.152 -9.295 3.411) 21.560 1.775 ( -25.222 1.600 7.520) 26.368 2.618 ( -17.436 -8.575 -6.950) 20.636 2.662 ( -7.293 -1.316 -2.412) 7.794 3.270 ( 0.005 -0.326 5.252) 5.262 3.437 ( -6.147 2.319 -0.751) 6.613 3.599 ( -17.867 -5.690 -1.842) 18.842 4.258 ( -13.356 -6.794 -0.232) 14.987 5.375 ( 10.905 3.075 0.171) 11.332 7.298 ( -4.237 0.599 0.066) 4.280 9.941 ( 29.267 13.096 -6.747) 32.766 11.975 ( 0.091 -4.504 8.698) 9.795======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( -21.149 -7.642 2.204) 22.595 1.368 ( -26.835 2.325 4.944) 27.385 2.115 ( -28.816 -8.441 -6.116) 30.643 2.537 ( -5.266 -0.959 -1.481) 5.554 3.182 ( -15.916 -2.171 6.564) 17.353 3.328 ( -3.190 -0.692 -1.285) 3.508 3.356 ( -3.903 -0.469 -2.287) 4.548 3.989 ( -11.710 -3.233 -0.669) 12.167 5.603 ( 11.774 2.235 0.218) 11.987 7.262 ( -0.739 0.344 0.038) 0.816 10.481 ( 24.405 6.052 -4.985) 25.634 11.964 ( -0.881 -1.505 7.636) 7.833======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.679 ( -21.223 -0.000 0.000) 21.223 0.928 ( -27.141 -0.000 0.000) 27.141 1.467 ( -38.668 -0.000 0.000) 38.668 2.456 ( -3.302 -0.000 0.000) 3.302 2.920 ( -12.512 -0.000 0.000) 12.512 3.273 ( -3.671 -0.000 0.000) 3.671 3.299 ( -2.588 -0.000 0.000) 2.588 3.805 ( -7.415 -0.000 0.000) 7.415 5.801 ( 9.514 0.000 -0.000) 9.514 7.270 ( 1.083 0.000 -0.000) 1.083 10.863 ( 17.652 0.000 -0.000) 17.652 11.952 ( -1.478 -0.000 0.000) 1.478======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( -0.000 23.717 10.555) 25.960 1.055 ( -0.000 22.018 12.644) 25.390 1.671 ( -0.000 35.635 5.459) 36.050 2.403 ( 0.000 2.534 -7.258) 7.687 2.973 ( 0.000 15.398 -6.923) 16.883 3.294 ( -0.000 3.301 1.686) 3.706 3.304 ( 0.000 1.219 -0.644) 1.379 3.867 ( -0.000 8.955 2.229) 9.229 5.735 ( 0.000 -10.524 -1.795) 10.676 7.268 ( -0.000 -1.000 0.563) 1.148 10.498 ( 0.000 -5.230 -26.212) 26.729 12.064 ( -0.000 -4.811 3.135) 5.742======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( -1.399 22.076 11.558) 24.958 1.444 ( 7.389 24.496 3.198) 25.785 2.133 ( 12.549 25.747 8.193) 29.791 2.456 ( 5.221 3.415 -7.083) 9.439 3.115 ( 1.631 13.458 -11.908) 18.044 3.332 ( 2.503 3.462 1.822) 4.645 3.364 ( 2.989 4.342 1.553) 5.495 4.010 ( 3.209 12.151 2.372) 12.790 5.586 ( -3.681 -11.314 -1.848) 12.041 7.268 ( 0.537 0.524 0.562) 0.937 10.378 ( 2.580 -18.811 -5.690) 19.822 11.951 ( -7.941 1.105 -8.163) 11.442======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( 5.071 19.590 6.833) 21.358 1.804 ( 6.239 24.269 -2.413) 25.174 2.570 ( 11.001 10.014 3.738) 15.339 2.611 ( 9.908 9.344 0.826) 13.644 3.164 ( 0.380 2.716 -12.299) 12.601 3.463 ( 4.111 4.438 1.259) 6.179 3.557 ( 9.218 15.686 0.545) 18.202 4.215 ( 5.724 11.445 3.113) 13.170 5.392 ( -5.444 -10.077 -1.514) 11.553 7.313 ( 2.153 4.192 0.637) 4.755 10.110 ( -8.613 -26.109 5.568) 28.051 11.824 ( -4.325 2.596 -13.027) 13.969======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 8.564 16.090 3.014) 18.475 2.118 ( 5.411 21.635 -5.885) 23.065 2.777 ( 7.890 6.321 -2.351) 10.380 2.911 ( 8.491 7.836 6.429) 13.223 3.166 ( 2.798 0.782 -7.128) 7.697 3.577 ( 3.290 4.862 0.916) 5.942 3.883 ( 8.659 15.050 -1.586) 17.435 4.443 ( 8.442 7.907 3.337) 12.038 5.217 ( -4.169 -6.373 -0.977) 7.677 7.432 ( 3.664 9.073 0.815) 9.818 9.620 ( -20.705 -23.406 5.904) 31.802 11.772 ( 1.810 -2.499 -10.178) 10.635======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.104 ( 7.970 12.713 1.984) 15.135 2.387 ( 6.413 17.516 -8.348) 20.436 2.937 ( 4.963 3.204 -1.645) 6.132 3.068 ( 2.210 7.167 -2.112) 7.792 3.276 ( 8.014 2.079 3.697) 9.068 3.673 ( 2.138 4.240 0.920) 4.837 4.079 ( 0.220 9.498 -1.927) 9.694 4.667 ( 8.831 3.944 2.768) 10.060 5.149 ( 1.729 -1.477 -0.517) 2.331 7.608 ( 3.537 12.125 1.119) 12.679 9.029 ( -26.359 -14.346 2.949) 30.154 11.759 ( 5.715 -8.831 -5.976) 12.098======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.317 ( 2.542 10.445 1.501) 10.854 2.644 ( 9.512 11.395 -7.939) 16.833 2.997 ( 2.260 -0.460 -2.440) 3.358 3.171 ( 0.633 8.809 -1.541) 8.965 3.441 ( 6.601 1.907 4.988) 8.490 3.731 ( 0.609 1.499 1.139) 1.978 4.094 ( -6.502 8.020 -1.677) 10.460 4.809 ( 3.660 1.812 1.701) 4.424 5.232 ( 7.950 -1.157 0.288) 8.039 7.761 ( 1.467 6.632 1.515) 6.959 8.520 ( -25.023 3.489 0.353) 25.268 11.753 ( 8.186 -13.680 -3.022) 16.226======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.412 ( -2.349 8.332 0.630) 8.680 2.857 ( 7.452 3.616 -3.502) 8.993 3.017 ( 1.770 -0.454 -2.269) 2.913 3.234 ( -2.184 6.961 -0.639) 7.323 3.550 ( 2.204 0.927 1.864) 3.032 3.723 ( -1.054 -2.039 1.123) 2.555 4.054 ( -7.982 11.769 -1.159) 14.267 4.856 ( 0.499 0.577 0.249) 0.803 5.340 ( 6.452 -4.682 1.750) 8.161 7.773 ( 1.147 -6.448 1.052) 6.633 8.295 ( -19.799 26.839 -0.410) 33.355 11.752 ( 9.846 -16.194 -1.205) 18.991======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( -6.106 5.357 0.308) 8.129 2.922 ( -0.926 -2.081 3.744) 4.383 3.034 ( 0.911 -0.478 -1.338) 1.688 3.227 ( -4.940 4.511 -1.176) 6.792 3.503 ( -5.450 -2.883 -3.039) 6.874 3.711 ( -0.125 1.012 -0.061) 1.021 4.060 ( -5.041 12.280 -0.545) 13.285 4.846 ( -1.277 -1.005 -0.669) 1.758 5.351 ( 1.001 -7.533 2.829) 8.109 7.762 ( 3.965 -4.704 -0.085) 6.152 8.299 ( -13.098 30.744 0.020) 33.418 11.765 ( 10.481 -16.003 0.111) 19.130======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( -9.872 1.317 0.503) 9.972 2.807 ( -12.249 -1.696 9.638) 15.678 3.023 ( -1.270 -1.049 -0.180) 1.657 3.151 ( -6.138 1.065 -3.860) 7.328 3.357 ( -5.912 -2.330 -4.024) 7.522 3.701 ( -2.797 1.865 -1.671) 3.754 4.101 ( -3.218 9.192 -0.996) 9.789 4.788 ( -3.081 -3.442 -0.270) 4.627 5.255 ( -3.615 -7.263 2.521) 8.495 7.742 ( -6.002 1.258 -0.392) 6.145 8.512 ( 7.491 23.878 -0.538) 25.031 11.796 ( 9.786 -13.408 1.403) 16.659======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.098 ( -14.225 -2.449 1.235) 14.487 2.557 ( -19.540 1.534 9.441) 21.755 2.945 ( -6.929 -0.347 -1.471) 7.092 3.010 ( -7.151 -4.080 -5.592) 9.953 3.266 ( -2.236 0.201 0.272) 2.262 3.642 ( -4.906 1.056 -1.847) 5.347 4.085 ( -8.062 5.474 -1.517) 9.862 4.649 ( -7.608 -7.379 1.071) 10.653 5.162 ( -0.288 -2.247 0.828) 2.412 7.595 ( -11.743 2.365 -0.172) 11.980 8.983 ( 22.702 16.309 -1.829) 28.013 11.842 ( 7.911 -9.224 2.624) 12.432======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( -18.575 -3.136 1.374) 18.887 2.234 ( -23.153 2.301 5.290) 23.861 2.787 ( -11.530 -2.867 -5.297) 13.008 2.795 ( -9.665 -1.697 -0.118) 9.814 3.271 ( 0.900 0.786 2.099) 2.415 3.548 ( -5.959 -0.011 -1.401) 6.122 3.893 ( -17.669 1.245 -0.725) 17.728 4.413 ( -11.396 -5.311 0.553) 12.585 5.227 ( 7.793 0.703 0.085) 7.825 7.424 ( -9.415 0.965 -0.031) 9.464 9.543 ( 27.847 8.383 -2.269) 29.170 11.898 ( 5.331 -4.310 2.857) 7.427======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( -21.438 -0.000 0.000) 21.438 1.838 ( -25.415 -0.000 0.000) 25.415 2.487 ( -19.885 -0.000 0.000) 19.885 2.642 ( -7.735 -0.000 0.000) 7.735 3.303 ( 1.494 0.000 -0.000) 1.494 3.433 ( -7.436 -0.000 0.000) 7.436 3.549 ( -20.426 -0.000 0.000) 20.426 4.182 ( -12.499 -0.000 0.000) 12.499 5.407 ( 11.770 0.000 -0.000) 11.770 7.307 ( -4.617 -0.000 0.000) 4.617 10.059 ( 27.540 0.000 -0.000) 27.540 11.950 ( 2.418 0.000 -0.000) 2.418======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( -0.000 19.954 11.569) 23.066 1.579 ( -0.000 24.646 7.292) 25.702 2.319 ( -0.000 25.845 5.814) 26.490 2.417 ( 0.000 4.245 -9.583) 10.481 3.169 ( 0.000 5.412 -14.564) 15.537 3.378 ( -0.000 3.861 1.885) 4.296 3.378 ( -0.000 10.994 2.446) 11.263 4.136 ( -0.000 16.138 2.806) 16.381 5.493 ( 0.000 -12.073 -2.004) 12.238 7.267 ( -0.000 0.850 0.487) 0.980 10.130 ( 0.000 -23.134 -2.108) 23.229 12.013 ( 0.000 1.624 -9.094) 9.238======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( -2.953 20.007 9.717) 22.437 1.930 ( 6.361 22.775 2.546) 23.784 2.493 ( 6.347 5.933 -8.141) 11.907 2.614 ( 5.686 17.480 6.687) 19.560 3.143 ( -0.176 0.332 -13.275) 13.280 3.451 ( 2.944 4.448 1.348) 5.502 3.567 ( 6.071 14.623 -0.025) 15.834 4.320 ( 0.554 16.999 3.496) 17.363 5.350 ( -2.443 -10.607 -1.709) 11.018 7.308 ( 2.731 3.352 0.552) 4.359 9.888 ( 0.942 -29.605 3.376) 29.812 11.939 ( -7.158 3.375 -10.612) 13.238======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 1.332 17.167 6.088) 18.263 2.239 ( 4.293 21.141 -3.151) 21.802 2.682 ( 9.285 7.338 -4.977) 12.838 2.881 ( 6.992 9.795 7.114) 13.980 3.117 ( 1.427 0.766 -10.153) 10.281 3.556 ( 3.574 4.134 0.526) 5.490 3.849 ( 10.556 12.112 -1.461) 16.133 4.495 ( 0.137 14.258 3.982) 14.804 5.210 ( -2.952 -6.431 -1.194) 7.176 7.440 ( 5.748 7.963 0.999) 9.872 9.574 ( -4.276 -30.505 4.564) 31.140 11.798 ( -8.034 1.470 -9.316) 12.390======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.132 ( 5.019 14.031 3.712) 15.357 2.473 ( 2.488 17.504 -6.793) 18.940 2.872 ( 5.917 4.343 -2.973) 7.919 3.076 ( 5.162 7.477 -1.600) 9.226 3.189 ( 6.372 3.845 2.088) 7.729 3.648 ( 3.184 2.178 -0.177) 3.861 4.116 ( 7.979 8.806 -2.249) 12.094 4.633 ( 1.719 8.713 4.312) 9.873 5.131 ( -1.379 -1.123 -0.894) 1.991 7.647 ( 5.818 10.716 1.770) 12.322 9.192 ( -10.171 -21.138 2.354) 23.575 11.647 ( -4.616 -5.059 -6.286) 9.296======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.363 ( 5.393 11.249 3.229) 12.886 2.638 ( 2.742 12.002 -7.775) 14.561 2.949 ( 2.338 1.128 -3.466) 4.330 3.232 ( 3.128 9.883 -2.453) 10.652 3.363 ( 7.078 3.056 6.070) 9.813 3.701 ( 2.318 -0.798 -0.786) 2.575 4.262 ( -0.554 9.888 -1.949) 10.093 4.765 ( 4.598 3.733 4.163) 7.239 5.128 ( 1.917 -0.366 -0.910) 2.153 7.788 ( 0.332 1.615 2.414) 2.924 8.905 ( -11.221 4.074 -0.310) 11.942 11.505 ( 0.854 -13.775 -3.494) 14.237======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.528 ( 0.385 9.316 1.924) 9.521 2.770 ( 5.380 4.877 -4.557) 8.573 2.980 ( 1.533 0.989 -3.273) 3.747 3.339 ( -0.945 8.403 -0.964) 8.511 3.508 ( 4.830 1.716 4.035) 6.523 3.707 ( 0.686 -2.287 -1.015) 2.594 4.309 ( -6.133 13.376 -1.125) 14.758 4.858 ( 1.267 1.928 1.993) 3.049 5.174 ( 6.254 -5.073 0.664) 8.080 7.707 ( -2.644 -9.800 1.505) 10.262 8.890 ( -13.189 30.305 -0.737) 33.059 11.393 ( 7.691 -21.234 -1.670) 22.645======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.567 ( -5.016 6.386 -0.082) 8.121 2.880 ( 4.629 0.188 1.523) 4.877 3.004 ( 1.478 0.651 -3.191) 3.577 3.353 ( -4.706 4.633 -1.224) 6.717 3.557 ( -1.897 -0.005 0.868) 2.086 3.698 ( 1.025 -0.611 -0.119) 1.199 4.320 ( -8.352 14.729 -0.782) 16.950 4.861 ( -1.717 -0.205 -0.717) 1.872 5.223 ( 5.736 -8.155 2.896) 10.382 7.618 ( 3.688 -7.774 0.407) 8.614 8.944 ( -20.127 35.585 -0.227) 40.883 11.355 ( 14.115 -22.822 -0.571) 26.841======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.489 ( -8.865 2.411 -0.439) 9.198 2.934 ( -0.258 0.408 6.732) 6.749 3.019 ( 0.646 0.059 -2.193) 2.287 3.252 ( -8.211 -1.032 -4.462) 9.402 3.477 ( -7.447 2.209 0.123) 7.768 3.712 ( 0.751 -0.962 -0.463) 1.305 4.312 ( -8.117 12.759 -0.934) 15.151 4.802 ( -2.760 -3.213 -1.043) 4.362 5.215 ( 1.187 -7.030 2.909) 7.701 7.681 ( 8.325 -3.110 -0.133) 8.888 8.901 ( -19.349 26.913 -0.045) 33.147 11.423 ( 16.420 -16.780 0.229) 23.479======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( -12.317 -0.200 0.045) 12.319 2.894 ( -11.959 3.658 10.090) 16.069 3.008 ( -1.640 -0.383 0.056) 1.685 3.057 ( -6.401 -4.682 -9.583) 12.439 3.367 ( -7.548 2.045 0.508) 7.837 3.692 ( -1.681 -0.947 -0.870) 2.117 4.282 ( -7.525 7.684 -0.979) 10.799 4.695 ( -4.991 -4.820 0.213) 6.942 5.161 ( -1.585 -2.866 1.164) 3.476 7.746 ( -1.519 -0.096 -0.190) 1.534 8.907 ( -0.030 12.551 -0.281) 12.554 11.570 ( 14.204 -7.695 0.658) 16.168======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( -15.683 -0.000 0.000) 15.683 2.631 ( -20.475 -0.000 0.000) 20.475 2.920 ( -6.848 -0.000 0.000) 6.848 2.938 ( -6.922 -0.000 0.000) 6.922 3.287 ( -2.599 -0.000 0.000) 2.599 3.634 ( -4.291 -0.000 0.000) 4.291 4.163 ( -11.677 -0.000 0.000) 11.677 4.552 ( -8.254 -0.000 0.000) 8.254 5.145 ( 1.806 0.000 -0.000) 1.806 7.618 ( -11.396 -0.000 0.000) 11.396 9.158 ( 20.371 0.000 -0.000) 20.371 11.745 ( 10.036 0.000 -0.000) 10.036======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( -0.000 14.649 9.786) 17.618 2.099 ( -0.000 24.494 2.933) 24.669 2.467 ( 0.000 7.452 -10.143) 12.586 2.758 ( -0.000 14.982 5.528) 15.970 3.097 ( 0.000 -1.161 -12.315) 12.370 3.464 ( -0.000 3.582 1.765) 3.993 3.656 ( 0.000 13.317 -1.685) 13.423 4.512 ( -0.000 18.723 3.634) 19.072 5.268 ( 0.000 -8.338 -1.342) 8.445 7.312 ( 0.000 3.482 0.220) 3.489 9.580 ( -0.000 -32.333 4.402) 32.631 12.010 ( 0.000 3.496 -9.639) 10.254======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( -1.841 12.365 6.488) 14.085 2.371 ( 2.951 21.217 -1.959) 21.510 2.597 ( 7.557 9.967 -6.658) 14.169 2.909 ( 2.639 7.598 2.323) 8.372 3.072 ( 1.201 1.526 -6.333) 6.625 3.538 ( 3.436 3.520 1.143) 5.050 3.804 ( 5.006 8.821 -2.055) 10.349 4.680 ( -1.729 14.857 3.306) 15.318 5.198 ( -1.434 -1.947 -0.542) 2.478 7.406 ( 5.843 6.108 0.406) 8.462 9.277 ( 1.105 -33.681 4.468) 33.994 11.946 ( -7.700 2.950 -8.120) 11.572======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.217 ( 1.717 10.867 3.642) 11.589 2.579 ( 1.718 15.049 -7.286) 16.808 2.818 ( 6.368 8.932 -2.717) 11.301 3.022 ( 6.575 4.271 -6.059) 9.909 3.155 ( 3.857 5.281 6.307) 9.085 3.628 ( 2.391 3.003 -0.003) 3.839 3.992 ( 10.417 3.790 -1.721) 11.218 4.760 ( -2.661 7.949 2.805) 8.839 5.182 ( -2.884 5.506 0.087) 6.216 7.625 ( 9.005 9.432 1.322) 13.108 8.993 ( 2.264 -29.381 2.440) 29.569 11.766 ( -12.228 0.055 -5.829) 13.547======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( 4.881 9.480 2.917) 11.054 2.689 ( 1.184 7.857 -8.056) 11.315 2.936 ( 1.263 5.603 -3.246) 6.598 3.215 ( 8.622 8.365 -4.206) 12.728 3.308 ( 5.475 3.713 8.209) 10.542 3.668 ( 0.453 0.614 -1.030) 1.282 4.219 ( 11.836 3.696 -1.409) 12.479 4.792 ( -0.853 3.921 3.225) 5.149 5.180 ( -4.829 6.212 -0.333) 7.875 7.802 ( 0.719 1.404 2.487) 2.945 8.889 ( 10.448 -7.970 -0.394) 13.146 11.502 ( -13.147 -6.256 -3.511) 14.977======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.571 ( 5.064 7.695 2.598) 9.571 2.743 ( 1.598 3.080 -5.278) 6.316 2.979 ( -0.231 3.841 -3.378) 5.120 3.401 ( 3.758 7.431 -0.237) 8.331 3.454 ( 5.329 2.804 4.216) 7.351 3.662 ( 0.580 -1.704 -1.812) 2.554 4.438 ( 6.236 8.861 -1.527) 10.942 4.843 ( 2.893 0.630 4.279) 5.204 5.126 ( -5.334 1.019 -1.166) 5.555 7.688 ( -6.125 -9.987 1.638) 11.830 9.183 ( 12.492 20.872 -0.864) 24.340 11.183 ( -9.377 -16.595 -1.774) 19.144======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.686 ( -1.348 5.460 -0.342) 5.635 2.800 ( 5.058 0.551 0.388) 5.103 2.991 ( -0.136 1.449 -2.779) 3.137 3.464 ( -3.360 4.059 -1.012) 5.366 3.557 ( 3.163 1.170 3.830) 5.104 3.667 ( 1.866 -0.478 -2.357) 3.044 4.576 ( -3.039 13.726 -1.066) 14.099 4.904 ( -0.829 1.417 1.657) 2.332 5.040 ( 2.817 -8.849 0.714) 9.314 7.518 ( -1.615 -8.174 0.541) 8.350 9.566 ( -5.369 36.327 -0.354) 36.723 10.894 ( 5.135 -28.352 -0.755) 28.823======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.644 ( -6.573 1.773 -0.702) 6.844 2.906 ( 4.988 0.663 2.881) 5.798 2.995 ( 0.762 0.171 -2.315) 2.443 3.380 ( -7.637 -0.022 -1.370) 7.759 3.604 ( -2.468 3.015 2.477) 4.617 3.674 ( 1.265 -1.596 -1.806) 2.722 4.594 ( -9.832 12.055 -0.123) 15.556 4.816 ( -3.929 -4.401 -1.482) 6.083 5.090 ( 7.271 -5.278 2.242) 9.260 7.506 ( 6.617 -3.110 0.077) 7.312 9.574 ( -28.029 23.119 -0.060) 36.333 10.909 ( 23.432 -17.974 -0.169) 29.532======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( -9.900 -0.000 0.000) 9.900 2.985 ( 2.630 0.000 -0.000) 2.630 3.005 ( 0.754 0.000 -0.000) 0.754 3.204 ( -12.289 -0.000 0.000) 12.289 3.522 ( -8.065 -0.000 0.000) 8.065 3.689 ( 1.019 0.000 -0.000) 1.019 4.475 ( -10.108 -0.000 0.000) 10.108 4.736 ( -2.929 -0.000 0.000) 2.929 5.149 ( 1.982 0.000 -0.000) 1.982 7.648 ( 9.820 0.000 -0.000) 9.820 9.204 ( -23.743 -0.000 0.000) 23.743 11.226 ( 20.942 0.000 -0.000) 20.942======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -0.000 6.106 4.137) 7.376 2.561 ( 0.000 21.492 -5.263) 22.127 2.612 ( 0.000 11.830 -5.599) 13.088 2.915 ( 0.000 0.644 -5.479) 5.517 3.102 ( -0.000 6.201 4.597) 7.719 3.536 ( -0.000 2.647 1.443) 3.015 3.832 ( 0.000 5.493 -2.440) 6.011 4.816 ( -0.000 6.840 1.807) 7.074 5.242 ( -0.000 8.459 1.036) 8.523 7.401 ( 0.000 5.201 -0.055) 5.201 8.946 ( -0.000 -33.313 4.438) 33.608 12.023 ( 0.000 2.744 -6.780) 7.314======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.279 ( 1.459 5.107 1.710) 5.580 2.667 ( -0.934 9.864 -9.521) 13.741 2.820 ( 7.184 14.130 -5.446) 16.761 2.942 ( 2.694 3.610 -2.885) 5.349 3.194 ( 1.236 5.715 8.909) 10.656 3.604 ( 3.859 2.584 0.928) 4.736 3.886 ( 3.658 1.263 -2.125) 4.415 4.845 ( -1.106 1.836 0.928) 2.336 5.339 ( -3.067 13.345 1.700) 13.798 7.543 ( 9.482 7.094 0.262) 11.845 8.652 ( 1.790 -30.669 3.060) 30.873 11.952 ( -8.691 1.648 -5.017) 10.170======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.389 ( 4.590 5.455 1.446) 7.274 2.696 ( 0.810 3.086 -8.542) 9.118 2.999 ( -0.533 9.283 -2.858) 9.728 3.095 ( 11.307 6.550 -4.541) 13.833 3.305 ( 2.514 4.119 9.438) 10.600 3.681 ( 0.651 2.578 -0.153) 2.663 4.009 ( 11.946 -0.418 -1.117) 12.005 4.841 ( -1.086 1.069 0.964) 1.804 5.381 ( -6.976 10.983 1.139) 13.060 7.790 ( 5.947 5.018 1.606) 7.945 8.499 ( 14.538 -19.558 0.309) 24.372 11.731 ( -16.039 -0.702 -3.143) 16.359======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.540 ( 6.202 4.676 1.585) 7.927 2.718 ( 1.860 1.002 -5.021) 5.448 3.036 ( -1.851 4.859 -2.719) 5.867 3.334 ( 10.290 5.082 -2.123) 11.671 3.413 ( 3.676 2.293 5.873) 7.297 3.673 ( -2.529 0.708 -1.001) 2.810 4.269 ( 16.560 2.132 -0.436) 16.702 4.837 ( -0.524 0.133 1.401) 1.502 5.318 ( -10.489 6.185 0.243) 12.180 7.729 ( -7.890 -7.282 1.404) 10.828 8.874 ( 33.281 4.075 -0.665) 33.536 11.372 ( -21.845 -4.749 -1.579) 22.411======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.689 ( 5.981 2.974 0.775) 6.725 2.743 ( 1.455 -0.015 -1.563) 2.136 3.024 ( -2.320 1.627 -1.431) 3.174 3.504 ( 4.400 1.457 4.470) 6.439 3.516 ( 4.238 2.562 -2.436) 5.519 3.627 ( -1.064 -0.644 -1.298) 1.797 4.580 ( 14.865 5.341 -0.879) 15.820 4.832 ( 0.705 -2.551 1.991) 3.312 5.151 ( -13.052 1.324 -0.362) 13.124 7.525 ( -6.875 -5.185 0.425) 8.622 9.561 ( 34.612 13.374 -0.273) 37.107 10.881 ( -26.281 -10.489 -0.558) 28.302======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.731 ( -2.484 -0.000 0.000) 2.484 2.815 ( 6.229 0.000 -0.000) 6.229 2.996 ( -1.131 -0.000 0.000) 1.131 3.492 ( -5.344 -0.000 0.000) 5.344 3.592 ( 4.137 0.000 -0.000) 4.137 3.654 ( 1.650 0.000 -0.000) 1.650 4.800 ( -1.315 -0.000 0.000) 1.315 4.862 ( 6.182 0.000 -0.000) 6.182 4.928 ( -6.945 -0.000 0.000) 6.945 7.433 ( -0.479 -0.000 0.000) 0.479 10.268 ( -33.503 -0.000 0.000) 33.503 10.273 ( 34.681 0.000 -0.000) 34.681======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.297 ( 0.000 2.322 0.007) 2.322 2.726 ( 0.000 2.115 -14.360) 14.514 2.814 ( 0.000 9.504 -1.427) 9.611 3.016 ( 0.000 11.178 -1.152) 11.237 3.271 ( -0.000 6.032 10.090) 11.755 3.584 ( -0.000 1.434 0.964) 1.727 3.858 ( 0.000 -0.745 -2.066) 2.196 4.863 ( -0.000 0.425 0.315) 0.529 5.513 ( -0.000 13.607 1.953) 13.746 7.502 ( 0.000 4.675 -0.170) 4.678 8.368 ( -0.000 -25.941 2.718) 26.083 12.032 ( 0.000 1.427 -3.806) 4.064======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.351 ( 3.901 2.111 0.011) 4.436 2.685 ( -0.519 0.534 -8.258) 8.291 2.969 ( 8.050 5.536 -1.909) 9.955 3.094 ( -1.015 7.517 -2.864) 8.108 3.360 ( -0.283 5.360 8.269) 9.858 3.661 ( 5.563 2.933 1.161) 6.395 3.852 ( 2.977 -2.956 -1.927) 4.617 4.863 ( -0.544 0.452 0.234) 0.745 5.596 ( -4.737 9.688 1.359) 10.869 7.677 ( 13.452 6.081 0.172) 14.764 8.150 ( 1.437 -20.331 1.310) 20.424 11.951 ( -9.523 0.601 -2.353) 9.828======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( 6.510 1.758 0.453) 6.758 2.679 ( 1.440 0.121 -3.483) 3.771 3.099 ( -0.698 2.490 -1.301) 2.895 3.184 ( 9.586 3.238 -1.700) 10.260 3.413 ( 0.580 1.963 3.950) 4.449 3.729 ( -2.112 1.809 0.114) 2.783 3.985 ( 15.868 -0.938 -0.434) 15.901 4.855 ( -0.867 0.220 0.255) 0.930 5.549 ( -9.121 4.535 0.534) 10.200 7.813 ( -6.566 -2.011 0.865) 6.921 8.278 ( 32.771 -3.575 -0.339) 32.967 11.706 ( -18.421 -0.412 -0.994) 18.453======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.592 ( 6.802 0.000 -0.000) 6.802 2.708 ( 2.240 0.000 -0.000) 2.240 3.075 ( -2.566 -0.000 0.000) 2.566 3.379 ( 10.593 0.000 -0.000) 10.593 3.456 ( 2.824 0.000 -0.000) 2.824 3.680 ( -3.799 -0.000 0.000) 3.799 4.291 ( 18.901 0.000 -0.000) 18.901 4.840 ( -1.072 -0.000 0.000) 1.072 5.385 ( -12.338 -0.000 0.000) 12.338 7.645 ( -9.444 -0.000 0.000) 9.444 8.929 ( 41.099 0.000 -0.000) 41.099 11.317 ( -25.988 -0.000 0.000) 25.988======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( 0.000 0.714 -0.323) 0.784 2.670 ( 0.000 -0.305 -5.115) 5.124 2.941 ( 0.000 3.452 -0.249) 3.461 3.148 ( 0.000 3.129 -1.535) 3.485 3.454 ( -0.000 5.570 5.048) 7.517 3.606 ( -0.000 0.403 0.343) 0.530 3.807 ( 0.000 -2.303 -1.343) 2.666 4.872 ( -0.000 0.294 0.065) 0.302 5.718 ( -0.000 5.344 0.802) 5.404 7.569 ( 0.000 1.873 -0.086) 1.875 8.010 ( -0.000 -10.075 0.854) 10.111 12.034 ( 0.000 0.403 -1.217) 1.282======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( 4.757 0.000 -0.000) 4.757 2.659 ( 0.184 0.000 -0.000) 0.184 3.021 ( 6.778 0.000 -0.000) 6.778 3.154 ( -0.695 -0.000 0.000) 0.695 3.450 ( -2.526 -0.000 0.000) 2.526 3.730 ( 11.747 0.000 -0.000) 11.747 3.778 ( -1.595 -0.000 0.000) 1.595 4.869 ( -0.520 -0.000 0.000) 0.520 5.700 ( -5.260 -0.000 0.000) 5.260 7.766 ( 21.136 0.000 -0.000) 21.136 7.918 ( -4.834 -0.000 0.000) 4.834 11.949 ( -9.843 -0.000 0.000) 9.843======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.225 ( -0.000 0.000 24.437) 24.437 0.225 ( -0.000 0.000 24.437) 24.437 0.403 ( -0.000 0.000 43.849) 43.849 2.386 ( 0.000 -0.000 -3.269) 3.269 2.386 ( 0.000 -0.000 -3.269) 3.269 3.214 ( -0.000 0.000 0.908) 0.908 3.214 ( -0.000 0.000 0.908) 0.908 4.475 ( 0.000 -0.000 -8.385) 8.385 5.990 ( -0.000 0.000 3.133) 3.133 7.302 ( -0.000 0.000 0.437) 0.437 7.302 ( -0.000 0.000 0.437) 0.437 12.941 ( -0.000 0.000 0.184) 0.184======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( 16.374 9.454 8.239) 20.625 0.515 ( 12.675 7.318 17.125) 22.527 1.069 ( 33.553 19.372 21.642) 44.379 2.415 ( 2.501 1.444 -2.529) 3.839 2.654 ( 10.141 5.855 -14.859) 18.918 3.230 ( 1.287 0.743 0.759) 1.669 3.265 ( 3.395 1.960 1.098) 4.071 3.829 ( -5.684 -3.282 11.025) 12.831 5.904 ( -5.296 -3.058 -1.367) 6.266 7.289 ( -1.101 -0.636 0.429) 1.342 10.119 ( 65.053 37.558 -101.350) 126.152 12.300 ( -30.292 -17.489 28.642) 45.209======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 16.538 9.548 5.549) 19.887 0.895 ( 18.554 10.712 2.730) 21.598 1.869 ( 30.301 17.494 15.639) 38.325 2.485 ( 4.178 2.412 -1.726) 5.123 2.858 ( 12.090 6.980 -13.243) 19.242 3.275 ( 2.367 1.366 0.588) 2.795 3.344 ( 3.187 1.840 0.455) 3.708 3.888 ( 7.135 4.119 3.171) 8.827 5.734 ( -8.865 -5.118 -1.743) 10.383 7.264 ( -0.985 -0.568 0.316) 1.180 10.673 ( 7.053 4.072 -19.930) 21.530 11.840 ( -12.143 -7.011 -5.012) 14.890======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( 18.461 10.659 -1.899) 21.402 1.316 ( 17.589 10.155 0.669) 20.322 2.501 ( 20.676 11.937 11.381) 26.448 2.594 ( 5.680 3.279 -0.926) 6.623 3.098 ( 10.615 6.129 -12.709) 17.657 3.337 ( 2.882 1.664 0.490) 3.363 3.460 ( 8.820 5.092 0.588) 10.202 4.126 ( 12.081 6.975 2.873) 14.242 5.506 ( -10.195 -5.886 -1.464) 11.863 7.258 ( 0.689 0.398 0.130) 0.806 10.414 ( -25.225 -14.564 11.638) 31.366 11.757 ( 6.269 3.619 -21.844) 23.012======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 14.509 8.377 -0.533) 16.762 1.717 ( 19.571 11.299 -6.391) 23.484 2.735 ( 6.719 3.879 -0.368) 7.767 2.872 ( 9.937 5.737 3.873) 12.110 3.246 ( 6.290 3.631 -3.466) 8.047 3.405 ( 2.827 1.632 0.572) 3.314 3.749 ( 13.839 7.990 -1.558) 16.056 4.430 ( 13.229 7.638 2.471) 15.474 5.288 ( -7.809 -4.509 -0.779) 9.051 7.302 ( 3.150 1.819 -0.042) 3.638 9.751 ( -33.559 -19.375 9.774) 39.964 11.873 ( 7.318 4.225 -14.244) 16.562======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 10.246 5.915 -1.035) 11.876 2.146 ( 19.725 11.388 -8.414) 24.281 2.889 ( 6.590 3.805 -0.340) 7.617 3.008 ( 3.030 1.749 -2.027) 4.044 3.409 ( 7.481 4.319 4.343) 9.668 3.466 ( 2.269 1.310 0.793) 2.737 3.976 ( 5.350 3.089 -2.094) 6.523 4.700 ( 8.503 4.909 1.428) 9.922 5.199 ( 1.385 0.799 0.294) 1.626 7.396 ( 4.846 2.798 -0.131) 5.597 9.006 ( -32.499 -18.763 5.469) 37.923 11.980 ( 4.903 2.831 -7.571) 9.454======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.150 ( 6.033 3.483 -0.770) 7.009 2.552 ( 17.631 10.179 -8.441) 22.039 3.020 ( 4.808 2.776 -0.724) 5.598 3.044 ( 1.162 0.671 -2.007) 2.414 3.511 ( 1.349 0.779 0.956) 1.827 3.586 ( 6.282 3.627 6.057) 9.450 3.976 ( -4.096 -2.365 -2.458) 5.331 4.816 ( 2.632 1.520 0.653) 3.108 5.332 ( 7.742 4.470 1.287) 9.031 7.506 ( 4.434 2.560 -0.150) 5.122 8.354 ( -24.525 -14.159 2.657) 28.443 12.051 ( 2.820 1.628 -3.703) 4.931======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.242 ( 2.234 1.290 0.041) 2.580 2.864 ( 10.487 6.055 -5.452) 13.280 3.060 ( 0.680 0.393 -0.863) 1.167 3.094 ( 1.726 0.996 -1.196) 2.324 3.533 ( 0.328 0.189 0.932) 1.005 3.730 ( 4.192 2.420 5.923) 7.649 3.816 ( -7.461 -4.308 -4.486) 9.713 4.856 ( 0.782 0.452 0.047) 0.905 5.476 ( 3.439 1.986 2.251) 4.565 7.581 ( 1.811 1.046 -0.140) 2.096 7.958 ( -9.591 -5.538 1.118) 11.131 12.089 ( 1.336 0.772 -1.469) 2.130======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( -1.430 -0.826 1.203) 2.043 2.946 ( -3.825 -2.208 3.305) 5.516 3.073 ( 0.526 0.304 0.161) 0.628 3.087 ( -1.915 -1.106 -1.880) 2.903 3.532 ( -0.595 -0.343 0.873) 1.111 3.591 ( -7.594 -4.385 -8.408) 12.149 3.877 ( 5.668 3.273 1.920) 6.821 4.852 ( -1.009 -0.582 -0.210) 1.184 5.484 ( -3.534 -2.040 2.992) 5.060 7.581 ( -1.735 -1.002 -0.089) 2.005 7.948 ( 8.490 4.902 0.093) 9.804 12.105 ( 0.269 0.155 0.152) 0.345======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( -5.409 -3.123 2.641) 6.781 2.725 ( -16.008 -9.242 10.100) 21.064 2.998 ( -5.076 -2.930 -3.075) 6.618 3.077 ( -0.669 -0.386 1.397) 1.597 3.422 ( -4.823 -2.785 -11.644) 12.907 3.512 ( -1.478 -0.853 0.999) 1.977 3.989 ( 3.114 1.798 -1.168) 3.781 4.813 ( -2.469 -1.425 0.494) 2.893 5.347 ( -8.407 -4.854 2.649) 10.063 7.508 ( -4.360 -2.517 0.021) 5.035 8.315 ( 22.730 13.123 -1.282) 26.277 12.104 ( -0.565 -0.326 1.846) 1.958======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.017 ( -10.119 -5.842 4.175) 12.408 2.333 ( -20.400 -11.778 11.299) 26.126 2.850 ( -6.530 -3.770 -4.456) 8.759 3.016 ( -5.924 -3.420 -1.177) 6.941 3.306 ( -2.082 -1.202 -6.892) 7.300 3.471 ( -2.344 -1.353 1.230) 2.973 3.968 ( -5.114 -2.953 -2.886) 6.573 4.705 ( -8.953 -5.169 2.157) 10.560 5.203 ( -1.878 -1.084 0.681) 2.273 7.399 ( -4.819 -2.782 0.152) 5.566 8.921 ( 29.725 17.162 -3.334) 34.486 12.092 ( -1.328 -0.766 3.907) 4.197======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( -15.033 -8.679 5.482) 18.204 1.883 ( -21.685 -12.520 10.549) 27.171 2.689 ( -5.944 -3.432 -5.195) 8.608 2.774 ( -14.237 -8.220 -5.312) 17.276 3.288 ( 0.637 0.367 -0.338) 0.809 3.414 ( -2.994 -1.729 1.360) 3.715 3.734 ( -13.946 -8.052 -2.936) 16.369 4.420 ( -14.754 -8.518 1.666) 17.118 5.293 ( 8.209 4.739 -0.233) 9.481 7.305 ( -3.212 -1.855 0.235) 3.717 9.602 ( 30.189 17.430 -5.781) 35.336 12.068 ( -2.031 -1.172 6.084) 6.520======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( -18.518 -10.691 6.774) 22.430 1.414 ( -21.901 -12.645 9.514) 27.020 2.329 ( -23.483 -13.558 -6.209) 27.818 2.554 ( -4.413 -2.548 -5.078) 7.194 3.283 ( -5.595 -3.230 6.978) 9.509 3.346 ( -3.183 -1.838 1.318) 3.905 3.386 ( -10.477 -6.049 -7.492) 14.230 4.100 ( -12.953 -7.478 0.481) 14.964 5.517 ( 10.619 6.131 -0.389) 12.268 7.260 ( -0.815 -0.471 0.266) 0.978 10.229 ( 25.859 14.930 -8.221) 30.971 12.037 ( -2.425 -1.400 7.304) 7.822======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -21.223 -12.253 9.729) 26.367 0.956 ( -19.959 -11.524 8.859) 24.691 1.668 ( -32.389 -18.700 -4.405) 37.658 2.458 ( -2.755 -1.591 -4.566) 5.565 3.002 ( -12.744 -7.358 0.805) 14.738 3.281 ( -2.741 -1.583 1.179) 3.377 3.315 ( -1.618 -0.934 -1.825) 2.612 3.853 ( -8.283 -4.782 0.487) 9.577 5.746 ( 9.117 5.264 -0.628) 10.546 7.264 ( 0.857 0.495 0.304) 1.035 10.700 ( 17.437 10.067 -16.461) 26.007 12.008 ( -1.750 -1.010 8.914) 9.140======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( -0.000 22.099 12.085) 25.187 0.679 ( -0.000 19.903 17.884) 26.757 1.017 ( -0.000 30.494 24.832) 39.325 2.352 ( 0.000 0.499 -6.791) 6.809 2.658 ( 0.000 14.903 -12.555) 19.486 3.245 ( -0.000 2.052 1.616) 2.611 3.256 ( -0.000 3.049 0.803) 3.152 3.851 ( -0.000 -9.768 9.050) 13.316 5.899 ( 0.000 -6.467 -1.361) 6.608 7.294 ( -0.000 -1.153 0.715) 1.356 9.750 ( 0.000 80.259 -91.415) 121.648 12.435 ( -0.000 -29.430 20.414) 35.817======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( 0.617 17.631 17.724) 25.007 0.951 ( 4.726 25.442 4.392) 26.247 1.649 ( 23.769 25.406 17.408) 38.903 2.395 ( 5.744 0.647 -6.504) 8.701 2.793 ( 3.475 14.094 -11.950) 18.802 3.278 ( 0.550 3.065 0.926) 3.249 3.311 ( 2.669 1.895 0.456) 3.305 3.851 ( 3.032 3.668 2.799) 5.521 5.778 ( -4.574 -8.308 -2.048) 9.703 7.276 ( -0.794 -0.858 0.643) 1.334 10.356 ( 23.056 20.953 -41.390) 51.805 12.049 ( -18.239 -14.970 5.872) 24.316======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 8.643 15.818 9.667) 20.454 1.312 ( 7.657 23.875 0.193) 25.074 2.310 ( 21.565 16.853 13.700) 30.607 2.507 ( 7.386 2.435 -4.686) 9.079 2.977 ( 6.878 11.310 -14.340) 19.515 3.344 ( 2.551 5.813 1.263) 6.472 3.389 ( 4.266 3.120 -0.224) 5.290 4.028 ( 8.623 8.252 2.780) 12.255 5.580 ( -7.366 -8.939 -2.013) 11.756 7.266 ( -0.212 0.953 0.500) 1.097 10.544 ( -1.485 -12.916 1.483) 13.085 11.710 ( -7.300 1.589 -17.421) 18.956======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.511 ( 12.679 13.847 3.118) 19.032 1.672 ( 8.477 21.126 -2.600) 22.911 2.657 ( 7.582 4.647 -2.795) 9.322 2.768 ( 12.390 8.918 7.806) 17.146 3.119 ( 6.778 2.361 -9.575) 11.967 3.450 ( 0.689 7.954 0.761) 8.019 3.604 ( 12.525 10.768 -1.419) 16.578 4.296 ( 11.614 7.972 3.318) 14.472 5.358 ( -7.501 -7.685 -1.480) 10.841 7.301 ( 1.294 4.239 0.357) 4.446 10.108 ( -26.013 -22.659 11.050) 36.225 11.716 ( 7.247 3.950 -18.309) 20.084======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 11.983 11.490 1.151) 16.642 2.005 ( 10.061 18.020 -6.070) 21.512 2.827 ( 6.620 6.115 -1.695) 9.170 2.967 ( 3.783 3.477 -2.004) 5.515 3.260 ( 9.731 0.438 1.659) 9.881 3.540 ( 0.031 8.628 0.991) 8.685 3.897 ( 8.540 8.341 -2.729) 12.246 4.581 ( 11.609 5.798 2.886) 13.293 5.199 ( -2.780 -3.663 -0.457) 4.621 7.397 ( 2.465 8.134 0.273) 8.503 9.401 ( -32.547 -20.457 6.775) 39.035 11.834 ( 8.803 -0.982 -10.283) 13.572======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.119 ( 5.399 9.515 0.780) 10.968 2.359 ( 14.732 14.069 -7.797) 21.812 2.978 ( 4.610 4.112 -1.051) 6.267 3.022 ( 1.759 2.969 -3.758) 5.102 3.429 ( 7.437 0.425 3.982) 8.447 3.630 ( 0.215 8.302 2.009) 8.544 4.003 ( -0.895 1.808 -3.006) 3.620 4.775 ( 5.062 2.256 1.561) 5.757 5.230 ( 7.162 1.308 1.212) 7.380 7.536 ( 1.907 11.370 0.261) 11.531 8.689 ( -30.198 -15.325 3.272) 34.022 11.924 ( 7.838 -4.784 -5.203) 10.554======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.257 ( 1.121 7.200 0.433) 7.300 2.704 ( 13.605 9.335 -6.900) 17.885 3.030 ( 1.994 -0.869 -1.495) 2.639 3.099 ( 1.128 5.820 -1.794) 6.193 3.531 ( 2.353 1.242 2.170) 3.433 3.724 ( 1.857 4.619 3.714) 6.211 3.916 ( -7.711 0.051 -3.361) 8.412 4.843 ( 1.526 0.901 0.380) 1.813 5.393 ( 7.965 0.105 2.705) 8.413 7.674 ( -0.465 13.652 0.260) 13.662 8.133 ( -20.660 -8.310 1.327) 22.309 11.979 ( 6.887 -7.098 -2.472) 10.194======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.307 ( -2.243 4.670 0.832) 5.247 2.927 ( 5.888 2.673 -2.457) 6.917 3.045 ( 1.450 -1.188 -0.849) 2.058 3.136 ( -2.115 3.983 -1.392) 4.720 3.544 ( -2.157 -0.999 -0.494) 2.428 3.704 ( -7.225 -1.688 -1.223) 7.520 3.862 ( 0.594 7.290 0.256) 7.319 4.857 ( -0.194 -0.266 -0.218) 0.395 5.477 ( 2.190 -3.693 3.722) 5.682 7.779 ( -10.963 18.247 -0.212) 21.288 7.866 ( 1.892 -3.946 0.811) 4.450 12.008 ( 6.128 -8.197 -0.874) 10.272======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.276 ( -5.601 1.747 1.723) 6.115 2.906 ( -8.524 -4.340 7.213) 11.980 3.040 ( -1.334 -1.248 -2.336) 2.966 3.108 ( -3.261 2.078 -0.377) 3.885 3.414 ( -5.324 -5.106 -7.878) 10.793 3.616 ( -5.284 5.162 -1.292) 7.499 3.960 ( 2.637 4.887 -0.671) 5.593 4.833 ( -1.525 -1.423 0.095) 2.088 5.413 ( -4.553 -6.826 3.797) 9.041 7.669 ( -11.066 6.359 -0.032) 12.763 8.110 ( 15.119 13.809 -0.177) 20.477 12.024 ( 5.375 -8.301 0.402) 9.897======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.154 ( -9.500 -2.179 3.076) 10.221 2.631 ( -19.120 -5.850 10.912) 22.779 2.939 ( -7.277 -0.638 -4.355) 8.505 3.066 ( -3.563 -2.010 -0.377) 4.108 3.281 ( -1.878 -2.784 -7.803) 8.495 3.573 ( -5.478 4.569 -0.674) 7.164 4.007 ( -1.684 1.821 -2.825) 3.759 4.772 ( -3.861 -3.912 1.732) 5.763 5.248 ( -6.085 -5.829 2.178) 8.704 7.533 ( -10.357 3.406 0.104) 10.903 8.616 ( 24.624 17.990 -1.439) 30.529 12.032 ( 4.426 -7.661 1.653) 9.001======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( -14.259 -7.361 4.827) 16.758 2.249 ( -23.247 -2.940 9.566) 25.309 2.778 ( -8.535 -0.471 -5.399) 10.110 2.897 ( -10.189 -6.459 -3.475) 12.555 3.259 ( 1.514 0.241 -2.222) 2.699 3.511 ( -5.871 3.010 -0.198) 6.601 3.889 ( -11.162 -2.079 -3.188) 11.793 4.577 ( -12.136 -8.927 2.893) 15.340 5.206 ( 4.523 0.967 -0.008) 4.625 7.396 ( -8.004 1.396 0.227) 8.128 9.254 ( 28.752 17.620 -2.831) 33.841 12.034 ( 3.168 -6.556 2.544) 7.713======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( -18.457 -11.029 6.353) 22.420 1.843 ( -25.265 -0.485 7.018) 26.226 2.568 ( -17.381 -7.549 -3.649) 19.298 2.630 ( -8.164 -0.155 -4.533) 9.339 3.292 ( 1.807 0.731 -1.001) 2.191 3.432 ( -5.720 1.056 -0.135) 5.818 3.581 ( -18.643 -4.607 -1.764) 19.285 4.266 ( -13.963 -7.354 1.805) 15.884 5.373 ( 10.905 3.200 -0.590) 11.380 7.300 ( -4.225 0.523 0.297) 4.267 9.893 ( 27.753 14.147 -3.734) 31.374 12.024 ( 1.678 -5.337 1.945) 5.923======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( -20.282 -10.732 7.682) 24.198 1.411 ( -26.245 -1.557 4.216) 26.627 2.090 ( -29.317 -5.405 0.949) 29.826 2.509 ( -5.331 1.064 -4.460) 7.031 3.196 ( -16.798 -5.127 -4.537) 18.140 3.317 ( -0.205 0.665 0.530) 0.875 3.352 ( -5.425 0.504 0.936) 5.528 3.992 ( -11.940 -3.291 1.278) 12.450 5.599 ( 11.776 2.375 -0.926) 12.049 7.264 ( -0.735 0.242 0.331) 0.841 10.431 ( 21.995 9.747 -5.804) 24.748 11.994 ( 0.674 -4.934 -0.937) 5.067======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( -0.000 22.473 9.802) 24.518 1.182 ( -0.000 20.543 14.772) 25.302 1.767 ( -0.000 31.423 14.839) 34.750 2.326 ( 0.000 2.043 -9.436) 9.654 2.884 ( 0.000 15.161 -11.931) 19.293 3.300 ( 0.000 1.207 -0.328) 1.250 3.311 ( -0.000 3.349 1.822) 3.813 3.887 ( -0.000 8.602 1.597) 8.749 5.716 ( 0.000 -10.560 -2.321) 10.812 7.274 ( -0.000 -1.069 0.725) 1.291 10.246 ( 0.000 15.314 -27.599) 31.563 12.071 ( 0.000 -13.493 -1.099) 13.537======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -2.282 20.140 13.139) 24.155 1.477 ( 3.571 24.258 4.680) 24.962 2.233 ( 13.573 23.107 13.128) 29.841 2.381 ( 6.593 3.011 -9.201) 11.713 2.990 ( 1.029 11.411 -15.011) 18.884 3.343 ( 2.840 4.982 0.396) 5.748 3.379 ( 2.731 4.674 1.561) 5.634 4.032 ( 3.461 12.575 2.276) 13.239 5.567 ( -3.555 -11.195 -2.318) 11.973 7.274 ( 0.547 0.491 0.686) 1.006 10.330 ( 7.694 -9.903 -4.539) 13.337 11.854 ( -10.870 -1.765 -12.352) 16.548======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( 2.572 18.591 8.441) 20.579 1.790 ( 4.183 23.586 -0.065) 23.954 2.540 ( 9.691 4.990 -6.324) 12.602 2.683 ( 12.533 12.846 10.477) 20.781 3.041 ( 2.066 4.024 -14.142) 14.848 3.468 ( 4.084 4.689 -0.328) 6.227 3.562 ( 8.152 14.655 0.643) 16.782 4.245 ( 5.881 11.775 3.359) 13.584 5.376 ( -5.213 -9.861 -1.928) 11.319 7.320 ( 2.140 4.300 0.775) 4.865 10.173 ( -6.437 -26.783 8.324) 28.776 11.684 ( -4.886 5.813 -17.307) 18.899======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 6.966 16.125 4.184) 18.057 2.075 ( 3.939 20.613 -3.249) 21.236 2.749 ( 9.107 6.531 -3.661) 11.789 2.942 ( 4.160 5.850 -1.258) 7.288 3.122 ( 8.142 3.132 -0.911) 8.771 3.579 ( 3.514 4.785 -0.405) 5.950 3.867 ( 8.091 14.770 -1.728) 16.929 4.476 ( 8.176 8.170 3.883) 12.193 5.207 ( -3.846 -6.206 -1.237) 7.405 7.440 ( 3.582 9.393 0.969) 10.099 9.679 ( -21.333 -25.577 6.870) 34.007 11.670 ( 3.367 0.451 -11.860) 12.337======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.129 ( 7.481 13.119 3.382) 15.476 2.319 ( 5.304 16.970 -6.399) 18.896 2.918 ( 5.172 2.271 -2.511) 6.181 3.029 ( 2.677 7.865 -5.719) 10.086 3.321 ( 8.572 3.044 5.621) 10.693 3.676 ( 2.683 3.862 -0.298) 4.712 4.057 ( 0.189 9.757 -2.658) 10.114 4.696 ( 7.997 4.228 3.407) 9.666 5.146 ( 2.282 -1.620 -0.136) 2.802 7.619 ( 3.375 12.714 1.282) 13.216 9.056 ( -27.097 -16.096 2.923) 31.652 11.702 ( 7.018 -7.248 -6.291) 11.890======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.335 ( 1.470 10.688 2.353) 11.042 2.578 ( 10.114 11.945 -6.595) 16.984 2.973 ( 2.723 -0.753 -2.660) 3.880 3.150 ( 1.396 9.404 -2.853) 9.926 3.485 ( 5.571 2.012 4.314) 7.328 3.737 ( 1.527 0.646 0.176) 1.667 4.075 ( -6.534 8.743 -2.379) 11.171 4.824 ( 2.658 1.950 1.476) 3.613 5.243 ( 8.768 -1.432 1.964) 9.098 7.776 ( 1.211 7.292 1.697) 7.584 8.523 ( -25.294 2.178 0.200) 25.388 11.724 ( 8.956 -12.862 -3.115) 15.979======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.420 ( -2.702 8.220 0.994) 8.709 2.822 ( 8.997 5.821 -4.276) 11.538 2.999 ( 2.133 -1.044 -1.428) 2.771 3.224 ( -1.867 7.376 -1.595) 7.774 3.562 ( 0.200 0.243 0.669) 0.740 3.734 ( -0.378 -2.784 1.205) 3.058 4.040 ( -7.874 12.429 -1.719) 14.813 4.857 ( 0.028 0.399 -0.065) 0.405 5.366 ( 6.906 -4.810 3.724) 9.203 7.784 ( 0.716 -6.831 1.302) 6.991 8.291 ( -19.616 26.877 -0.517) 33.279 11.740 ( 10.349 -15.735 -1.485) 18.891======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.414 ( -5.910 4.931 0.778) 7.736 2.950 ( 2.309 0.558 1.039) 2.593 3.016 ( 1.353 -0.852 -1.207) 2.004 3.215 ( -5.360 3.846 -1.340) 6.732 3.473 ( -7.327 -2.619 -3.387) 8.486 3.713 ( -1.281 0.774 0.590) 1.608 4.051 ( -4.820 12.124 -1.392) 13.121 4.841 ( -1.173 -1.246 -0.356) 1.748 5.384 ( 0.961 -7.770 4.264) 8.915 7.764 ( 3.639 -4.923 0.455) 6.139 8.298 ( -13.016 30.748 -0.196) 33.390 11.763 ( 10.977 -15.694 -0.514) 19.159======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( -9.296 0.762 1.372) 9.428 2.897 ( -10.802 -1.071 9.791) 14.618 3.007 ( -1.732 -0.280 -3.501) 3.916 3.112 ( -5.477 -2.216 -4.129) 7.208 3.319 ( -6.638 1.022 -4.491) 8.080 3.688 ( -3.312 1.799 -0.964) 3.891 4.087 ( -3.531 9.186 -2.121) 10.067 4.790 ( -2.414 -3.426 0.815) 4.269 5.282 ( -4.236 -7.915 3.185) 9.526 7.742 ( -6.000 1.139 0.348) 6.117 8.507 ( 7.037 23.853 -0.543) 24.875 11.803 ( 10.391 -13.229 0.160) 16.823======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( -13.444 -3.279 2.625) 14.085 2.636 ( -20.275 -0.434 7.079) 21.480 2.911 ( -7.378 0.350 -5.560) 9.245 2.979 ( -6.428 -4.099 -0.919) 7.679 3.256 ( -1.622 2.177 -2.811) 3.908 3.629 ( -4.867 1.114 -0.961) 5.085 4.064 ( -8.163 6.098 -2.763) 10.557 4.667 ( -7.185 -7.734 2.844) 10.933 5.170 ( -0.981 -2.740 0.754) 3.006 7.597 ( -11.737 2.286 0.434) 11.965 8.970 ( 22.091 16.573 -0.870) 27.631 11.855 ( 8.547 -9.417 0.171) 12.718======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -17.972 -4.932 3.576) 18.976 2.267 ( -23.122 -1.343 1.691) 23.222 2.750 ( -10.348 0.463 -2.994) 10.782 2.796 ( -11.167 -1.246 0.885) 11.271 3.263 ( 1.137 0.823 -3.771) 4.024 3.542 ( -5.909 0.546 0.170) 5.937 3.882 ( -17.248 2.217 -1.724) 17.475 4.428 ( -11.789 -6.318 2.652) 13.635 5.226 ( 7.656 0.752 -0.419) 7.705 7.426 ( -9.436 0.878 0.438) 9.487 9.532 ( 27.392 9.599 -0.012) 29.025 11.903 ( 5.635 -5.418 -1.661) 7.991======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( -20.931 -2.922 3.744) 21.463 1.827 ( -25.096 -4.001 -2.222) 25.510 2.513 ( -19.396 2.805 5.367) 20.319 2.632 ( -8.131 2.099 -2.233) 8.689 3.261 ( -0.356 -1.251 -8.367) 8.467 3.447 ( -6.354 1.307 2.196) 6.849 3.552 ( -19.700 0.207 0.465) 19.707 4.191 ( -12.566 -0.487 1.929) 12.722 5.403 ( 11.682 0.176 -0.831) 11.713 7.309 ( -4.641 -0.126 0.361) 4.657 10.072 ( 27.366 2.921 2.778) 27.662 11.917 ( 1.739 -2.611 -7.035) 7.703======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( -0.000 23.169 5.634) 23.844 1.660 ( -0.000 18.881 12.740) 22.777 2.322 ( 0.000 4.061 -11.111) 11.830 2.399 ( -0.000 23.721 11.238) 26.248 3.024 ( 0.000 5.718 -16.749) 17.698 3.392 ( 0.000 10.347 0.687) 10.370 3.394 ( -0.000 3.865 1.668) 4.210 4.161 ( -0.000 16.773 2.583) 16.971 5.474 ( 0.000 -11.829 -2.254) 12.042 7.272 ( -0.000 0.729 0.478) 0.872 10.128 ( -0.000 -17.872 1.792) 17.961 11.904 ( 0.000 1.230 -14.406) 14.458======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( -3.727 18.908 8.593) 21.100 1.953 ( 3.956 21.180 3.261) 21.792 2.410 ( 8.021 6.227 -9.645) 14.005 2.694 ( 6.054 15.756 10.181) 19.711 3.011 ( 0.477 2.277 -15.178) 15.355 3.460 ( 2.391 4.713 0.556) 5.314 3.568 ( 6.166 13.110 0.100) 14.488 4.351 ( 0.690 17.359 3.135) 17.653 5.334 ( -2.368 -10.234 -1.863) 10.668 7.313 ( 2.919 3.285 0.524) 4.426 9.936 ( 1.640 -29.199 7.013) 30.074 11.821 ( -7.373 5.779 -14.885) 17.587======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( 0.279 16.232 5.105) 17.018 2.216 ( 2.761 19.368 -1.511) 19.622 2.632 ( 10.803 8.317 -5.702) 14.778 2.922 ( 4.299 5.462 -1.567) 7.125 3.049 ( 5.044 5.894 -1.311) 7.868 3.557 ( 3.240 4.265 -0.437) 5.374 3.838 ( 10.227 11.486 -0.839) 15.402 4.529 ( 0.395 14.269 3.438) 14.683 5.198 ( -2.879 -6.037 -1.326) 6.819 7.449 ( 6.020 8.086 0.986) 10.129 9.625 ( -4.627 -32.218 6.369) 33.166 11.702 ( -7.398 4.382 -11.391) 14.272======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.166 ( 4.742 13.798 3.561) 15.019 2.419 ( 1.745 15.982 -4.775) 16.771 2.843 ( 5.953 4.211 -3.355) 8.027 3.023 ( 5.421 7.976 -7.868) 12.447 3.243 ( 7.307 5.345 7.598) 11.819 3.642 ( 3.051 2.126 -1.053) 3.864 4.097 ( 7.570 8.833 -1.834) 11.776 4.671 ( 2.045 8.695 3.873) 9.736 5.122 ( -1.359 -1.025 -0.954) 1.951 7.664 ( 6.054 11.152 1.772) 12.812 9.216 ( -11.053 -22.918 2.724) 25.590 11.586 ( -3.648 -3.159 -6.731) 8.282======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.395 ( 5.305 10.998 3.750) 12.773 2.573 ( 2.707 12.002 -6.251) 13.801 2.916 ( 2.532 1.125 -3.501) 4.465 3.199 ( 4.185 10.962 -4.096) 12.428 3.423 ( 6.100 3.037 6.399) 9.348 3.691 ( 2.410 -1.109 -1.429) 3.013 4.243 ( -0.372 10.156 -2.088) 10.375 4.802 ( 3.820 4.139 3.776) 6.781 5.122 ( 2.584 -0.816 -0.354) 2.733 7.810 ( 0.223 1.781 2.437) 3.027 8.902 ( -11.635 3.121 -0.405) 12.053 11.473 ( 1.555 -12.769 -3.404) 13.306======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.545 ( -0.668 8.723 1.630) 8.899 2.733 ( 6.759 6.671 -3.683) 10.186 2.953 ( 1.885 0.668 -2.415) 3.136 3.324 ( -0.488 9.105 -2.074) 9.351 3.544 ( 3.321 1.444 3.514) 5.046 3.696 ( 1.335 -2.828 -1.227) 3.359 4.297 ( -5.876 13.665 -1.432) 14.944 4.872 ( -0.353 2.051 1.033) 2.324 5.188 ( 7.715 -5.487 2.313) 9.745 7.721 ( -3.054 -10.336 1.522) 10.885 8.883 ( -13.002 30.442 -0.792) 33.112 11.378 ( 8.070 -20.703 -1.655) 22.282======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.567 ( -5.081 5.742 0.129) 7.668 2.885 ( 5.966 2.559 -1.462) 6.654 2.982 ( 1.642 0.110 -0.703) 1.790 3.342 ( -4.863 4.354 -1.204) 6.637 3.560 ( -3.640 0.930 -0.273) 3.767 3.698 ( 1.827 -1.500 0.102) 2.366 4.312 ( -8.455 15.029 -0.993) 17.273 4.854 ( -1.992 -0.667 -0.760) 2.234 5.255 ( 6.101 -8.393 3.929) 11.095 7.622 ( 3.479 -8.070 0.598) 8.808 8.941 ( -19.997 35.702 -0.335) 40.922 11.349 ( 14.378 -22.506 -0.841) 26.720======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.489 ( -8.579 2.124 0.395) 8.847 2.967 ( 2.304 1.026 -3.581) 4.380 3.010 ( 1.049 0.048 4.232) 4.360 3.223 ( -10.300 -1.473 -1.796) 10.559 3.472 ( -8.009 3.556 -1.341) 8.865 3.707 ( 0.502 -1.258 -0.525) 1.453 4.302 ( -8.451 13.064 -1.251) 15.609 4.797 ( -2.207 -3.225 0.020) 3.908 5.243 ( 0.886 -7.969 3.089) 8.592 7.683 ( 8.276 -3.258 0.495) 8.908 8.899 ( -19.414 26.978 -0.361) 33.239 11.422 ( 16.668 -16.607 -0.470) 23.534======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.322 ( -11.976 -0.591 1.206) 12.052 2.950 ( -10.353 -3.704 -8.602) 13.961 2.979 ( -7.716 2.512 3.897) 9.002 3.030 ( -1.650 -0.443 4.173) 4.510 3.359 ( -7.801 2.656 -2.272) 8.548 3.686 ( -1.765 -0.405 -0.542) 1.890 4.269 ( -7.832 8.443 -1.816) 11.658 4.706 ( -4.406 -5.117 2.081) 7.066 5.171 ( -2.001 -3.919 0.901) 4.491 7.749 ( -1.515 -0.220 0.838) 1.745 8.903 ( -0.119 12.813 -0.467) 12.822 11.570 ( 14.304 -7.824 -0.776) 16.323======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.080 ( -15.545 -1.113 1.566) 15.663 2.602 ( -19.412 -4.270 -5.710) 20.680 2.912 ( -6.719 2.508 -1.334) 7.295 2.972 ( -8.002 1.509 6.337) 10.319 3.267 ( -3.016 0.295 -4.150) 5.138 3.638 ( -4.119 0.895 0.787) 4.288 4.155 ( -11.684 1.565 -1.543) 11.889 4.564 ( -8.266 -1.676 2.477) 8.790 5.143 ( 1.789 -0.269 -0.371) 1.847 7.622 ( -11.493 -0.137 0.802) 11.521 9.162 ( 20.731 0.729 0.865) 20.762 11.733 ( 9.629 -0.605 -2.608) 9.995======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( -18.647 1.198 0.957) 18.710 2.177 ( -22.519 -4.749 -6.682) 23.965 2.792 ( -9.195 2.640 -0.933) 9.612 2.846 ( -11.895 4.150 7.252) 14.536 3.230 ( -0.141 0.049 -6.224) 6.226 3.564 ( -5.861 0.271 1.766) 6.128 3.894 ( -17.690 -0.346 -0.655) 17.705 4.419 ( -11.130 4.183 1.756) 12.019 5.224 ( 7.776 -0.590 -0.572) 7.819 7.426 ( -9.506 -1.139 0.483) 9.586 9.573 ( 28.940 -7.196 4.288) 30.128 11.852 ( 3.820 3.400 -7.005) 8.673======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.055 ( -0.000 12.577 9.884) 15.996 2.110 ( 0.000 22.555 -0.385) 22.558 2.372 ( 0.000 8.838 -10.413) 13.658 2.817 ( -0.000 11.020 5.943) 12.521 2.987 ( 0.000 3.622 -10.393) 11.006 3.478 ( -0.000 3.568 1.327) 3.807 3.643 ( 0.000 12.458 -1.248) 12.520 4.542 ( -0.000 18.720 2.830) 18.932 5.256 ( 0.000 -7.715 -1.324) 7.828 7.314 ( 0.000 3.361 0.130) 3.364 9.635 ( -0.000 -32.851 7.534) 33.704 11.905 ( 0.000 6.146 -12.903) 14.292======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( -2.578 10.645 3.561) 11.517 2.345 ( 2.359 17.947 -3.200) 18.382 2.539 ( 8.677 12.160 -5.896) 16.060 2.888 ( 2.137 1.746 -6.589) 7.144 3.069 ( 2.212 9.282 5.501) 11.014 3.546 ( 2.930 3.604 0.582) 4.681 3.789 ( 5.257 8.327 -1.222) 9.923 4.706 ( -1.546 14.262 2.168) 14.509 5.193 ( -1.543 -0.983 -0.533) 1.906 7.410 ( 6.177 6.054 0.301) 8.654 9.327 ( 0.625 -34.994 6.239) 35.552 11.863 ( -7.365 5.474 -9.835) 13.451======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.243 ( 1.982 10.125 1.962) 10.502 2.515 ( 1.731 12.489 -6.451) 14.162 2.793 ( 6.654 9.976 -2.664) 12.284 2.955 ( 6.414 5.109 -7.432) 11.067 3.231 ( 4.139 6.743 8.985) 11.972 3.626 ( 1.890 3.060 -0.388) 3.618 3.980 ( 10.467 3.717 -0.933) 11.147 4.782 ( -2.037 7.199 1.782) 7.691 5.182 ( -3.316 6.319 -0.186) 7.139 7.637 ( 9.611 9.597 1.137) 13.630 9.019 ( 1.234 -30.837 3.126) 31.020 11.710 ( -11.642 1.909 -6.290) 13.369======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.412 ( 5.299 9.027 2.527) 10.768 2.622 ( 1.833 7.699 -6.438) 10.202 2.907 ( 0.905 5.612 -3.043) 6.447 3.172 ( 9.496 9.619 -4.572) 14.269 3.385 ( 4.597 3.639 8.063) 9.969 3.658 ( 0.074 0.556 -1.068) 1.207 4.208 ( 11.487 4.061 -1.028) 12.227 4.819 ( 0.258 3.278 2.643) 4.219 5.174 ( -5.421 6.609 -0.780) 8.583 7.824 ( 0.948 1.395 2.233) 2.798 8.886 ( 9.776 -8.810 -0.170) 13.161 11.470 ( -12.600 -5.142 -3.369) 14.019======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.593 ( 4.785 6.931 2.136) 8.689 2.701 ( 2.678 4.419 -3.742) 6.380 2.950 ( -0.146 4.036 -2.838) 4.937 3.381 ( 4.544 8.921 -2.606) 10.345 3.506 ( 4.191 1.442 5.701) 7.221 3.645 ( 0.209 -1.815 -1.800) 2.565 4.424 ( 5.989 9.077 -1.420) 10.968 4.880 ( 3.362 0.371 3.822) 5.104 5.114 ( -5.361 0.981 -1.262) 5.594 7.702 ( -6.439 -10.611 1.434) 12.494 9.176 ( 12.555 21.079 -0.753) 24.546 11.167 ( -9.053 -15.989 -1.551) 18.440======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.681 ( -1.687 4.608 -0.492) 4.931 2.803 ( 5.786 1.971 -0.231) 6.117 2.970 ( 0.091 1.917 -1.337) 2.339 3.454 ( -3.390 4.352 -0.893) 5.588 3.591 ( 2.503 1.265 3.417) 4.420 3.643 ( 1.963 -0.901 -2.763) 3.507 4.566 ( -2.465 13.768 -0.900) 14.016 4.912 ( -4.421 1.453 -0.006) 4.654 5.054 ( 5.988 -9.405 2.276) 11.379 7.523 ( -1.771 -8.506 0.502) 8.703 9.563 ( -5.268 36.538 -0.332) 36.917 10.887 ( 5.261 -28.015 -0.727) 28.514======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.642 ( -6.383 2.005 0.282) 6.697 2.902 ( 4.453 0.414 -3.741) 5.831 2.996 ( 1.496 0.634 2.429) 2.922 3.375 ( -7.758 0.621 0.380) 7.792 3.615 ( -4.295 3.019 -0.448) 5.269 3.660 ( 2.779 -1.607 -0.761) 3.299 4.593 ( -10.112 12.469 -0.137) 16.054 4.806 ( -3.292 -3.978 -0.713) 5.213 5.110 ( 6.975 -6.875 2.136) 10.024 7.508 ( 6.627 -3.258 0.289) 7.390 9.572 ( -28.054 23.222 -0.198) 36.418 10.906 ( 23.485 -17.733 -0.456) 29.431======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.513 ( -9.877 0.064 1.062) 9.934 2.932 ( 0.973 -0.913 -7.423) 7.542 3.031 ( 0.422 -0.747 1.680) 1.887 3.228 ( -10.428 2.041 5.007) 11.746 3.512 ( -8.078 -0.182 -2.097) 8.348 3.689 ( 0.957 0.645 -0.084) 1.157 4.472 ( -10.209 0.764 -0.640) 10.257 4.745 ( -2.795 0.146 1.886) 3.375 5.147 ( 1.958 -1.665 -0.331) 2.592 7.652 ( 9.966 -0.127 0.661) 9.988 9.203 ( -23.787 0.156 -0.352) 23.791 11.222 ( 20.796 0.071 -0.718) 20.809======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( -12.524 -0.262 1.177) 12.582 2.802 ( -11.402 -3.750 -9.883) 15.548 2.999 ( -2.323 1.030 -1.722) 3.070 3.147 ( -6.610 3.396 9.511) 12.070 3.353 ( -7.812 -0.890 -2.393) 8.219 3.700 ( -1.318 1.499 0.771) 2.140 4.285 ( -7.558 -6.679 -0.274) 10.090 4.703 ( -5.356 3.997 1.947) 6.961 5.150 ( -1.196 2.075 -1.286) 2.719 7.753 ( -1.517 -0.090 1.184) 1.926 8.908 ( 0.403 -12.255 0.057) 12.262 11.558 ( 13.635 7.611 -1.985) 15.741======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.094 ( -14.741 1.482 0.360) 14.819 2.470 ( -18.985 -2.524 -9.463) 21.362 2.948 ( -5.962 1.843 -0.569) 6.266 3.059 ( -7.634 0.957 3.913) 8.632 3.260 ( -3.721 3.041 -0.198) 4.810 3.660 ( -4.828 -0.787 1.797) 5.211 4.090 ( -8.127 -4.864 -0.351) 9.478 4.649 ( -7.824 6.608 1.115) 10.302 5.155 ( 0.205 2.060 -0.757) 2.204 7.600 ( -11.931 -2.619 0.729) 12.236 9.003 ( 23.927 -15.978 2.550) 28.884 11.808 ( 6.597 9.202 -4.671) 12.248======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( -0.000 4.048 0.471) 4.075 2.485 ( 0.000 16.777 -10.728) 19.914 2.576 ( 0.000 13.684 -1.751) 13.796 2.870 ( 0.000 2.932 -3.886) 4.868 3.165 ( -0.000 8.548 8.399) 11.984 3.547 ( -0.000 2.612 0.885) 2.758 3.814 ( 0.000 5.271 -1.423) 5.460 4.827 ( -0.000 5.954 0.609) 5.985 5.250 ( 0.000 9.625 0.707) 9.651 7.401 ( 0.000 5.136 -0.110) 5.137 8.992 ( -0.000 -34.611 5.426) 35.034 11.956 ( 0.000 4.894 -7.659) 9.089======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( 1.997 4.587 -0.650) 5.045 2.573 ( 0.283 8.583 -10.799) 13.798 2.780 ( 7.631 12.726 -2.694) 15.081 2.922 ( 0.909 6.479 -1.536) 6.721 3.280 ( 1.379 6.514 9.576) 11.663 3.610 ( 3.557 2.695 0.515) 4.492 3.871 ( 3.859 1.066 -1.121) 4.157 4.850 ( -0.864 1.560 0.126) 1.787 5.350 ( -3.318 13.744 0.701) 14.156 7.545 ( 9.885 7.081 0.162) 12.161 8.682 ( 1.159 -31.836 3.377) 32.036 11.905 ( -8.427 3.294 -5.125) 10.399======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.398 ( 5.297 5.221 0.554) 7.458 2.624 ( 1.825 4.236 -7.030) 8.408 2.973 ( -0.600 8.987 -2.830) 9.441 3.060 ( 10.851 7.370 -2.798) 13.412 3.388 ( 2.050 3.411 8.534) 9.416 3.680 ( 0.032 2.721 0.065) 2.722 4.002 ( 12.308 -0.354 -0.512) 12.324 4.848 ( -0.626 0.835 0.490) 1.153 5.386 ( -7.335 11.167 -0.138) 13.361 7.803 ( 6.680 5.141 1.229) 8.518 8.503 ( 13.512 -20.503 0.553) 24.561 11.704 ( -15.712 0.417 -2.825) 15.970======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( 6.485 4.094 1.184) 7.760 2.681 ( 2.562 2.596 -3.037) 4.746 3.011 ( -1.772 5.532 -2.834) 6.463 3.309 ( 10.480 5.946 -2.654) 12.338 3.471 ( 2.990 0.448 6.130) 6.835 3.667 ( -2.948 0.936 -0.418) 3.121 4.266 ( 16.342 2.360 -0.264) 16.514 4.849 ( 0.244 -0.466 1.263) 1.368 5.315 ( -10.830 6.460 -0.953) 12.646 7.740 ( -8.057 -7.901 1.027) 11.332 8.869 ( 33.253 4.266 -0.431) 33.528 11.360 ( -21.623 -4.050 -1.185) 22.031======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.691 ( 5.198 2.449 -0.311) 5.755 2.739 ( 2.437 0.967 0.539) 2.677 3.010 ( -2.090 2.780 -1.519) 3.795 3.491 ( 5.414 2.703 -2.593) 6.584 3.544 ( 3.140 -0.158 3.657) 4.823 3.620 ( -1.509 0.244 -0.163) 1.538 4.572 ( 14.051 5.774 -0.977) 15.223 4.852 ( 1.940 -3.981 2.243) 4.965 5.144 ( -13.278 1.883 -1.271) 13.471 7.529 ( -6.952 -5.551 0.252) 8.900 9.559 ( 34.642 13.597 -0.156) 37.215 10.877 ( -26.234 -10.046 -0.299) 28.094======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( -2.532 1.120 1.337) 3.074 2.804 ( 5.510 -1.069 -2.097) 5.992 3.001 ( -0.577 1.042 0.923) 1.506 3.496 ( -5.059 0.538 0.994) 5.184 3.578 ( 3.734 -2.044 -2.652) 5.015 3.663 ( 1.685 1.505 1.515) 2.720 4.798 ( -0.196 3.773 -0.304) 3.791 4.864 ( 4.287 -4.548 0.477) 6.268 4.927 ( -5.958 0.077 -0.191) 5.962 7.433 ( -0.437 -0.193 0.000) 0.478 10.268 ( -30.605 -13.633 -0.000) 33.504 10.273 ( 31.681 14.111 0.000) 34.682======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( -6.754 -1.810 1.530) 7.158 2.868 ( 3.543 -0.236 -4.625) 5.831 3.019 ( 1.012 0.077 2.084) 2.318 3.400 ( -6.835 0.241 3.010) 7.472 3.576 ( -1.324 -2.526 -3.348) 4.398 3.688 ( 0.219 1.294 1.079) 1.699 4.594 ( -9.773 -11.448 -0.109) 15.053 4.833 ( -3.948 4.354 2.269) 6.301 5.070 ( 7.437 3.987 -2.099) 8.696 7.507 ( 6.777 2.954 0.149) 7.394 9.573 ( -28.110 -23.009 -0.089) 36.326 10.909 ( 23.207 18.223 -0.146) 29.507======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.497 ( -8.997 -2.909 1.218) 9.534 2.873 ( -2.349 0.477 -6.525) 6.951 3.026 ( -0.787 0.262 -0.784) 1.141 3.298 ( -6.203 -0.852 5.057) 8.048 3.474 ( -6.776 -0.071 -0.343) 6.785 3.715 ( 1.060 0.882 0.155) 1.388 4.318 ( -8.037 -12.455 0.270) 14.826 4.816 ( -2.984 2.707 2.017) 4.506 5.191 ( 1.402 6.590 -2.234) 7.099 7.685 ( 8.636 2.932 0.741) 9.150 8.900 ( -19.371 -26.812 -0.279) 33.079 11.418 ( 15.924 16.971 -0.889) 23.289======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( -10.244 -2.085 0.496) 10.466 2.722 ( -13.517 2.181 -8.936) 16.350 3.016 ( -1.014 1.686 -1.565) 2.514 3.174 ( -6.970 -3.396 1.008) 7.819 3.397 ( -5.378 4.600 4.653) 8.470 3.717 ( -2.149 -1.297 1.754) 3.062 4.104 ( -3.273 -9.351 -0.445) 9.917 4.795 ( -3.442 3.042 1.280) 4.769 5.237 ( -3.151 7.082 -1.327) 7.864 7.749 ( -6.162 -1.575 1.054) 6.447 8.516 ( 8.346 -23.725 0.468) 25.154 11.778 ( 8.857 13.654 -2.414) 16.453======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( 0.000 2.490 -1.818) 3.084 2.604 ( 0.000 5.088 -12.170) 13.191 2.812 ( -0.000 9.480 0.884) 9.522 3.004 ( 0.000 9.269 -1.237) 9.351 3.363 ( -0.000 6.069 9.859) 11.578 3.590 ( -0.000 1.357 0.355) 1.403 3.844 ( 0.000 -0.896 -1.034) 1.368 4.864 ( 0.000 0.467 -0.238) 0.525 5.524 ( 0.000 13.622 0.339) 13.627 7.501 ( 0.000 4.681 -0.125) 4.682 8.392 ( -0.000 -26.954 2.512) 27.071 11.998 ( 0.000 2.796 -3.496) 4.477======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.346 ( 4.406 2.392 -1.004) 5.112 2.619 ( 0.586 3.409 -6.120) 7.030 2.960 ( 7.253 6.264 -0.110) 9.584 3.068 ( -1.317 7.181 -2.640) 7.764 3.434 ( -0.757 3.015 7.662) 8.269 3.672 ( 5.796 3.420 1.252) 6.845 3.838 ( 3.021 -3.268 -1.159) 4.599 4.864 ( -0.438 0.477 -0.153) 0.665 5.600 ( -4.831 9.643 -0.519) 10.798 7.678 ( 13.829 6.067 0.127) 15.102 8.160 ( 0.945 -21.055 1.014) 21.100 11.932 ( -9.406 1.662 -1.800) 9.720======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.466 ( 6.834 1.536 -0.158) 7.007 2.659 ( 1.845 2.559 -0.868) 3.272 3.084 ( -1.556 3.809 -1.927) 4.544 3.167 ( 10.035 4.115 -1.577) 10.960 3.454 ( 0.463 -1.216 4.596) 4.777 3.732 ( -2.620 1.651 0.613) 3.157 3.983 ( 16.236 -0.724 -0.016) 16.252 4.857 ( -0.697 0.065 0.044) 0.701 5.546 ( -9.176 4.574 -1.274) 10.332 7.819 ( -6.631 -2.610 0.391) 7.137 8.276 ( 32.765 -3.418 -0.138) 32.943 11.700 ( -18.342 0.368 -0.433) 18.350======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.589 ( 6.764 -0.597 -0.532) 6.811 2.720 ( 2.159 1.710 2.416) 3.664 3.071 ( -2.484 1.676 -1.045) 3.173 3.364 ( 9.441 1.059 -2.558) 9.839 3.473 ( 3.740 -3.074 3.012) 5.702 3.683 ( -3.743 0.295 0.650) 3.811 4.292 ( 18.807 0.111 0.068) 18.808 4.840 ( -0.974 -0.628 0.063) 1.161 5.378 ( -12.222 0.268 -1.459) 12.311 7.643 ( -9.403 -0.481 -0.277) 9.420 8.929 ( 41.088 0.249 0.160) 41.089 11.319 ( -26.028 0.567 0.396) 26.037======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.677 ( 6.030 -3.412 -1.605) 7.112 2.767 ( 0.609 0.873 3.595) 3.749 3.034 ( -2.126 -0.179 0.812) 2.283 3.459 ( 4.986 -2.360 -4.986) 7.435 3.542 ( 3.191 -2.994 2.939) 5.271 3.641 ( -0.409 1.059 1.591) 1.954 4.587 ( 15.660 -4.572 0.549) 16.323 4.817 ( -0.447 0.661 -1.454) 1.659 5.150 ( -12.528 -0.564 -0.500) 12.551 7.521 ( -6.726 4.795 -0.526) 8.277 9.564 ( 34.529 -13.133 0.343) 36.943 10.887 ( -26.420 10.919 0.720) 28.596======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.684 ( 0.055 -6.629 -0.918) 6.693 2.804 ( 2.442 1.243 1.518) 3.132 3.015 ( -0.010 -0.647 2.252) 2.344 3.463 ( -0.963 -4.348 -1.870) 4.830 3.533 ( 1.528 -1.228 -0.494) 2.021 3.685 ( 1.622 0.311 1.436) 2.189 4.585 ( -3.685 -13.785 0.902) 14.298 4.883 ( 2.730 -1.162 -2.766) 4.056 5.041 ( 0.139 8.262 0.782) 8.300 7.513 ( -1.378 7.832 -0.487) 7.967 9.570 ( -5.521 -36.119 0.315) 36.540 10.901 ( 4.881 28.702 0.652) 29.122======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.568 ( -4.587 -7.073 0.067) 8.431 2.869 ( 2.536 1.676 -0.777) 3.138 3.027 ( 0.749 -0.212 1.415) 1.615 3.362 ( -3.999 -5.471 0.562) 6.800 3.549 ( -0.264 0.596 -0.602) 0.888 3.699 ( 0.291 0.108 0.106) 0.328 4.326 ( -8.346 -14.552 0.296) 16.778 4.866 ( -0.942 -0.412 0.306) 1.072 5.204 ( 5.174 8.253 -1.082) 9.801 7.615 ( 4.034 7.477 -0.144) 8.497 8.945 ( -20.319 -35.451 0.080) 40.861 11.359 ( 13.699 23.152 0.202) 26.902======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( -6.160 -5.809 0.181) 8.469 2.888 ( -3.750 3.637 -3.514) 6.296 3.034 ( -0.280 1.155 -1.146) 1.652 3.235 ( -4.692 -5.177 0.480) 7.003 3.529 ( -3.600 2.558 2.600) 5.125 3.714 ( 1.248 -0.701 0.730) 1.607 4.061 ( -5.550 -12.546 -0.371) 13.724 4.852 ( -1.111 0.596 0.608) 1.400 5.335 ( 0.950 7.603 -0.664) 7.690 7.766 ( 4.448 4.453 0.619) 6.325 8.298 ( -13.213 -30.679 -0.234) 33.404 11.761 ( 9.818 16.332 -0.719) 19.069======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( 0.000 1.310 -1.186) 1.767 2.636 ( 0.000 3.561 -2.064) 4.116 2.945 ( -0.000 3.185 1.225) 3.412 3.130 ( 0.000 4.285 -2.407) 4.915 3.505 ( -0.000 1.475 6.009) 6.187 3.606 ( 0.000 0.281 -0.263) 0.385 3.799 ( 0.000 -1.734 -0.429) 1.787 4.871 ( 0.000 0.354 -0.270) 0.446 5.716 ( 0.000 5.243 -1.364) 5.418 7.569 ( 0.000 1.917 0.033) 1.918 8.015 ( -0.000 -10.738 0.281) 10.742 12.026 ( 0.000 1.366 -0.543) 1.470======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.368 ( 4.782 0.302 -0.750) 4.850 2.673 ( 0.139 3.218 2.936) 4.358 3.027 ( 6.720 0.193 1.226) 6.833 3.145 ( -0.861 2.049 -1.914) 2.933 3.457 ( -2.461 -4.168 1.485) 5.063 3.725 ( 10.533 -3.063 -0.992) 11.014 3.787 ( -0.346 3.006 1.753) 3.497 4.868 ( -0.504 -0.005 -0.283) 0.578 5.690 ( -5.211 -0.034 -2.102) 5.619 7.766 ( 21.138 -0.111 0.136) 21.138 7.916 ( -4.808 -0.386 -0.513) 4.851 11.952 ( -9.859 0.847 0.607) 9.914======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.458 ( 6.324 -1.965 -0.984) 6.695 2.722 ( 0.930 1.958 5.783) 6.176 3.108 ( -0.840 -1.028 0.734) 1.517 3.192 ( 9.227 -1.057 -0.110) 9.288 3.387 ( 1.154 -6.462 -1.377) 6.707 3.729 ( -1.402 -1.935 0.120) 2.393 3.991 ( 15.273 1.184 0.914) 15.346 4.852 ( -0.953 -0.429 -0.458) 1.141 5.536 ( -8.889 -4.376 -2.257) 10.162 7.804 ( -6.470 1.408 -1.187) 6.727 8.282 ( 32.814 3.749 0.480) 33.031 11.717 ( -18.551 1.149 1.380) 18.638======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 5.957 -5.214 -1.766) 8.111 2.772 ( 1.087 0.318 6.694) 6.790 3.059 ( -1.910 -3.520 2.090) 4.517 3.319 ( 6.509 -2.947 -5.788) 9.195 3.395 ( 7.667 -5.947 2.153) 9.939 3.684 ( -2.137 -0.600 1.197) 2.522 4.274 ( 16.593 -1.818 0.627) 16.704 4.824 ( -1.147 -0.902 -1.438) 2.048 5.311 ( -9.896 -5.664 -1.345) 11.481 7.715 ( -7.655 6.634 -1.537) 10.245 8.881 ( 33.272 -3.847 0.783) 33.503 11.388 ( -22.110 5.403 1.698) 22.824======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( 5.090 -8.150 -2.519) 9.933 2.798 ( 0.526 -1.946 6.601) 6.902 3.009 ( -0.253 -3.270 3.010) 4.452 3.359 ( 5.010 -3.711 -7.424) 9.695 3.457 ( 4.488 -6.964 2.960) 8.798 3.677 ( 0.686 1.528 1.350) 2.151 4.452 ( 6.368 -8.624 1.412) 10.813 4.804 ( 2.263 -1.200 -4.128) 4.858 5.135 ( -4.720 -0.621 0.938) 4.852 7.673 ( -5.755 9.373 -1.558) 11.108 9.191 ( 12.368 -20.691 0.825) 24.120 11.199 ( -9.740 17.206 1.689) 19.844======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.511 ( 1.323 -9.450 -1.768) 9.705 2.817 ( 3.497 -3.205 5.611) 7.348 3.008 ( 1.262 -1.078 2.723) 3.189 3.334 ( -0.258 -6.941 -2.311) 7.320 3.479 ( 5.001 -3.449 -1.882) 6.359 3.714 ( 0.310 1.763 0.441) 1.843 4.317 ( -6.454 -13.197 0.503) 14.699 4.837 ( 2.826 -1.621 -2.420) 4.058 5.176 ( 5.238 4.698 1.008) 7.108 7.694 ( -2.194 9.309 -1.227) 9.643 8.896 ( -13.377 -30.214 0.556) 33.048 11.407 ( 7.219 21.790 1.399) 22.997======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.323 ( 0.000 -0.308 -0.606) 0.679 2.728 ( -0.000 3.860 7.553) 8.482 2.950 ( -0.000 -3.551 1.714) 3.943 3.155 ( 0.000 -0.905 -0.246) 0.938 3.417 ( 0.000 -10.552 -2.905) 10.944 3.600 ( 0.000 -0.531 -0.913) 1.057 3.823 ( -0.000 2.756 2.097) 3.463 4.870 ( 0.000 -0.282 -0.407) 0.495 5.701 ( 0.000 -5.322 -2.853) 6.039 7.571 ( -0.000 -1.846 0.190) 1.855 8.000 ( 0.000 9.472 -1.280) 9.558 12.048 ( -0.000 0.496 1.678) 1.750======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.346 ( 3.599 -2.140 -1.054) 4.318 2.767 ( -1.563 1.416 9.377) 9.612 2.994 ( 8.281 -4.078 3.365) 9.825 3.119 ( -0.752 -6.161 2.417) 6.661 3.286 ( 0.157 -9.296 -7.347) 11.850 3.649 ( 5.616 -2.640 -1.318) 6.344 3.873 ( 2.836 2.821 2.586) 4.763 4.859 ( -0.620 -0.531 -0.631) 1.032 5.575 ( -4.552 -9.503 -3.043) 10.968 7.675 ( 12.913 -6.135 -0.208) 14.298 8.137 ( 2.120 19.744 -1.359) 19.904 11.974 ( -9.650 0.335 2.495) 9.973======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.372 ( 4.272 -5.990 -2.094) 7.649 2.779 ( 0.167 -2.226 9.509) 9.767 3.024 ( -0.069 -9.769 2.535) 10.092 3.135 ( 9.613 -4.855 2.939) 11.164 3.224 ( 3.794 -5.248 -7.082) 9.596 3.682 ( 1.414 -2.556 0.083) 2.923 4.022 ( 11.398 0.576 1.785) 11.551 4.830 ( -1.475 -1.511 -1.409) 2.539 5.365 ( -6.457 -10.460 -2.226) 12.492 7.775 ( 5.200 -4.895 -1.711) 7.343 8.498 ( 15.565 18.737 -0.008) 24.358 11.760 ( -16.339 1.672 2.916) 16.682======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.360 ( 4.830 -9.990 -2.776) 11.439 2.769 ( 0.606 -7.970 9.314) 12.273 2.964 ( 1.757 -5.737 2.795) 6.619 3.197 ( 5.934 -4.356 -8.759) 11.441 3.286 ( 7.616 -6.425 4.002) 10.738 3.676 ( 0.718 -0.899 0.716) 1.355 4.233 ( 11.954 -3.252 1.777) 12.515 4.761 ( -1.745 -4.759 -3.471) 6.143 5.181 ( -4.060 -5.512 -0.118) 6.847 7.780 ( 0.574 -1.423 -2.306) 2.770 8.893 ( 10.938 7.208 0.539) 13.111 11.533 ( -13.594 7.287 3.052) 15.723======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.337 ( 5.688 -11.229 -2.318) 12.799 2.715 ( 2.589 -11.848 9.007) 15.106 2.978 ( 2.231 -1.333 2.793) 3.815 3.221 ( 4.302 -6.289 -5.632) 9.475 3.334 ( 5.539 -5.678 0.520) 7.950 3.704 ( 2.164 0.258 -0.083) 2.181 4.278 ( -1.115 -9.744 1.357) 9.901 4.729 ( 5.363 -3.253 -3.566) 7.215 5.138 ( 1.894 0.092 1.217) 2.254 7.767 ( 0.496 -1.473 -1.971) 2.510 8.908 ( -10.937 -5.004 0.152) 12.029 11.535 ( 0.227 14.779 2.988) 15.079======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( 0.000 -2.802 -1.732) 3.294 2.837 ( -0.000 -8.942 3.459) 9.588 2.862 ( -0.000 1.337 15.008) 15.067 3.022 ( -0.000 -15.433 0.187) 15.435 3.182 ( 0.000 -4.841 -8.860) 10.096 3.573 ( 0.000 -1.518 -1.470) 2.113 3.881 ( -0.000 0.759 2.912) 3.009 4.858 ( 0.000 -0.553 -0.901) 1.057 5.489 ( 0.000 -13.241 -3.288) 13.643 7.504 ( -0.000 -4.707 0.186) 4.711 8.344 ( 0.000 25.198 -2.462) 25.318 12.066 ( -0.000 -0.295 3.460) 3.473======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.255 ( 1.377 -6.266 -3.302) 7.216 2.747 ( 0.026 -11.385 7.772) 13.785 2.855 ( 4.331 -16.993 0.753) 17.553 2.985 ( 4.425 -0.528 6.821) 8.148 3.127 ( 0.890 -3.369 -4.932) 6.039 3.594 ( 4.288 -2.550 -1.249) 5.143 3.910 ( 3.393 -1.379 3.052) 4.767 4.833 ( -1.326 -2.416 -1.745) 3.262 5.320 ( -2.757 -12.441 -2.417) 12.970 7.540 ( 9.019 -7.127 -0.323) 11.500 8.627 ( 2.420 29.862 -2.237) 30.043 11.994 ( -8.888 -0.341 4.065) 9.780======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.181 ( 2.104 -11.855 -4.083) 12.713 2.642 ( 2.881 -17.614 5.966) 18.819 2.841 ( 6.113 -7.268 2.253) 9.760 3.026 ( 4.666 -6.722 -4.490) 9.334 3.155 ( 4.034 -1.009 5.724) 7.075 3.627 ( 2.868 -3.166 -0.276) 4.281 4.011 ( 10.218 -3.856 2.514) 11.207 4.731 ( -3.103 -8.783 -3.534) 9.963 5.180 ( -2.461 -4.430 -0.347) 5.080 7.613 ( 8.445 -9.264 -1.266) 12.599 8.975 ( 3.026 28.242 -1.406) 28.438 11.814 ( -12.581 1.459 4.415) 13.413======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( 5.799 -14.161 -2.901) 15.575 2.539 ( 3.643 -18.479 7.416) 20.242 2.896 ( 5.711 -4.468 2.203) 7.578 3.039 ( 6.756 -6.718 -7.370) 12.046 3.218 ( 3.092 -2.980 5.830) 7.241 3.645 ( 3.152 -2.534 -0.635) 4.094 4.137 ( 7.932 -8.912 2.283) 12.147 4.594 ( 1.861 -8.522 -3.956) 9.578 5.138 ( -1.297 1.260 0.686) 1.934 7.632 ( 5.669 -10.318 -1.433) 11.860 9.174 ( -9.719 19.532 -1.681) 21.881 11.698 ( -5.202 6.768 4.821) 9.804======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.165 ( 0.000 -8.253 -5.695) 10.027 2.575 ( 0.000 -24.037 -2.315) 24.149 2.672 ( -0.000 -9.984 7.175) 12.295 2.957 ( -0.000 -5.319 3.180) 6.197 3.097 ( -0.000 0.501 3.983) 4.014 3.521 ( 0.000 -2.682 -1.841) 3.253 3.859 ( -0.000 -5.774 3.472) 6.737 4.794 ( 0.000 -7.932 -2.908) 8.448 5.232 ( 0.000 -6.825 -1.176) 6.925 7.402 ( -0.000 -5.293 -0.010) 5.293 8.912 ( 0.000 32.624 -2.774) 32.741 12.077 ( -0.000 -1.170 4.816) 4.956======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( -1.018 -14.001 -6.898) 15.641 2.371 ( 5.092 -22.640 -2.347) 23.324 2.659 ( 5.916 -8.374 6.872) 12.343 2.881 ( 1.551 -10.966 -2.340) 11.319 3.149 ( 0.938 2.348 8.903) 9.255 3.526 ( 3.918 -3.538 -1.365) 5.453 3.827 ( 4.725 -9.485 2.970) 11.005 4.646 ( -1.827 -15.214 -4.014) 15.841 5.202 ( -1.376 2.923 0.435) 3.259 7.403 ( 5.529 -6.161 -0.434) 8.289 9.246 ( 1.335 33.041 -2.131) 33.137 12.008 ( -7.802 -1.151 5.179) 9.435======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 2.906 -17.843 -5.298) 18.838 2.265 ( 6.843 -21.612 1.938) 22.752 2.722 ( 7.674 -7.088 3.664) 11.070 2.822 ( 6.184 -10.719 -5.030) 13.358 3.205 ( 0.411 0.696 8.490) 8.528 3.549 ( 3.672 -4.351 -0.980) 5.777 3.865 ( 10.735 -12.910 1.895) 16.897 4.458 ( 0.111 -13.973 -3.814) 14.485 5.220 ( -3.058 6.771 0.870) 7.480 7.431 ( 5.553 -7.837 -0.809) 9.639 9.543 ( -4.550 29.263 -2.334) 29.707 11.868 ( -8.071 0.800 5.913) 10.037======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 0.000 -15.997 -8.880) 18.296 2.055 ( 0.000 -25.285 -6.826) 26.191 2.555 ( -0.000 -6.880 9.058) 11.374 2.726 ( -0.000 -16.520 -1.195) 16.564 3.199 ( -0.000 2.786 9.437) 9.840 3.446 ( 0.000 -3.573 -1.977) 4.083 3.676 ( -0.000 -14.590 2.614) 14.823 4.477 ( 0.000 -18.453 -3.891) 18.859 5.280 ( -0.000 8.899 1.128) 8.971 7.310 ( -0.000 -3.591 -0.273) 3.602 9.555 ( 0.000 32.601 -0.877) 32.612 12.078 ( -0.000 -1.808 4.992) 5.310======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( -1.809 -21.001 -8.579) 22.758 1.898 ( 9.388 -22.859 -4.712) 25.157 2.547 ( 3.756 -12.295 2.489) 13.094 2.589 ( 5.338 -12.556 2.495) 13.870 3.246 ( -0.448 1.454 8.652) 8.785 3.438 ( 3.243 -4.537 -1.329) 5.733 3.570 ( 6.024 -16.722 0.645) 17.785 4.289 ( 0.520 -16.478 -3.127) 16.780 5.364 ( -2.557 10.904 1.256) 11.270 7.303 ( 2.601 -3.391 -0.472) 4.300 9.874 ( -0.172 30.313 0.298) 30.315 12.011 ( -6.537 -1.715 4.802) 8.291======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( 0.000 -20.875 -9.586) 22.971 1.503 ( 0.000 -25.329 -9.324) 26.991 2.296 ( -0.000 -27.091 0.747) 27.102 2.496 ( -0.000 -4.581 7.573) 8.850 3.286 ( -0.000 -1.963 10.143) 10.331 3.349 ( 0.000 -15.289 -3.243) 15.629 3.361 ( 0.000 -3.800 -1.792) 4.201 4.113 ( 0.000 -15.578 -2.138) 15.724 5.509 ( -0.000 12.251 1.333) 12.323 7.263 ( 0.000 -0.925 -0.412) 1.013 10.165 ( -0.000 27.281 5.517) 27.833 12.063 ( -0.000 -1.833 1.533) 2.390======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( -0.000 0.000 23.877) 23.877 0.447 ( -0.000 0.000 23.877) 23.877 0.802 ( -0.000 0.000 43.369) 43.369 2.343 ( 0.000 -0.000 -6.225) 6.225 2.343 ( 0.000 -0.000 -6.225) 6.225 3.226 ( -0.000 0.000 1.563) 1.563 3.226 ( -0.000 0.000 1.563) 1.563 4.364 ( 0.000 -0.000 -15.606) 15.606 6.029 ( -0.000 0.000 5.192) 5.192 7.308 ( -0.000 0.000 0.798) 0.798 7.308 ( -0.000 0.000 0.798) 0.798 12.943 ( -0.000 0.000 0.336) 0.336======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( 10.968 6.332 15.819) 20.264 0.711 ( 7.683 4.436 23.970) 25.559 1.294 ( 27.773 16.035 26.906) 41.862 2.377 ( 3.210 1.853 -5.546) 6.671 2.513 ( 11.026 6.366 -15.509) 20.065 3.241 ( 1.134 0.655 1.472) 1.970 3.275 ( 2.952 1.704 1.157) 3.599 3.900 ( -9.631 -5.560 3.420) 11.635 5.894 ( -6.302 -3.639 -0.591) 7.301 7.295 ( -1.181 -0.682 0.753) 1.558 9.324 ( 85.785 49.528 -69.972) 121.277 12.482 ( -31.212 -18.020 13.059) 38.334======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.946 ( 16.142 9.320 8.348) 20.424 0.982 ( 11.096 6.406 14.339) 19.230 2.023 ( 28.046 16.192 17.760) 36.935 2.455 ( 4.920 2.841 -4.747) 7.403 2.723 ( 12.222 7.056 -15.953) 21.300 3.284 ( 2.213 1.278 1.358) 2.894 3.340 ( 2.953 1.705 -1.424) 3.696 3.912 ( 7.164 4.136 1.853) 8.478 5.716 ( -8.866 -5.119 -2.114) 10.453 7.268 ( -1.100 -0.635 0.571) 1.392 10.442 ( 31.038 17.920 -28.274) 45.649 11.819 ( -25.927 -14.969 0.026) 29.937======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.306 ( 14.723 8.500 4.215) 17.515 1.341 ( 16.167 9.334 4.524) 19.208 2.571 ( 6.394 3.692 -3.876) 8.339 2.606 ( 17.686 10.211 11.187) 23.285 2.975 ( 13.266 7.659 -13.693) 20.546 3.346 ( 2.776 1.603 1.333) 3.472 3.452 ( 8.808 5.085 -2.222) 10.410 4.154 ( 12.224 7.057 3.159) 14.464 5.490 ( -9.918 -5.726 -2.008) 11.627 7.260 ( 0.571 0.330 0.312) 0.729 10.526 ( -22.124 -12.773 12.739) 28.546 11.540 ( 7.370 4.255 -25.097) 26.501======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 17.452 10.076 -2.289) 20.282 1.694 ( 13.593 7.848 2.147) 15.842 2.718 ( 7.276 4.201 -3.110) 8.959 2.889 ( 6.879 3.971 -0.385) 7.952 3.220 ( 10.396 6.002 -1.701) 12.124 3.415 ( 2.782 1.606 1.463) 3.530 3.726 ( 13.626 7.867 -3.310) 16.078 4.458 ( 12.861 7.425 3.482) 15.253 5.279 ( -7.315 -4.223 -1.150) 8.524 7.302 ( 3.066 1.770 0.075) 3.541 9.842 ( -35.718 -20.622 10.009) 42.440 11.735 ( 11.237 6.488 -15.364) 20.110======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( 9.809 5.663 0.785) 11.353 2.081 ( 18.731 10.815 -5.499) 22.317 2.875 ( 6.911 3.990 -2.640) 8.405 2.984 ( 2.896 1.672 -3.251) 4.664 3.442 ( 8.693 5.019 2.809) 10.424 3.478 ( 2.230 1.287 1.638) 3.051 3.948 ( 5.517 3.185 -3.763) 7.398 4.718 ( 7.780 4.492 2.377) 9.292 5.204 ( 2.091 1.208 0.837) 2.556 7.395 ( 4.805 2.774 -0.084) 5.549 9.056 ( -33.922 -19.585 5.276) 39.523 11.910 ( 7.051 4.071 -7.624) 11.155======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( 5.999 3.463 0.381) 6.937 2.482 ( 17.509 10.109 -6.794) 21.328 3.005 ( 4.968 2.868 -2.433) 6.231 3.026 ( 1.713 0.989 -1.914) 2.752 3.523 ( 1.254 0.724 1.675) 2.214 3.627 ( 6.680 3.856 2.952) 8.258 3.948 ( -3.983 -2.300 -3.423) 5.734 4.823 ( 2.247 1.297 0.717) 2.692 5.353 ( 8.025 4.633 3.151) 9.788 7.505 ( 4.422 2.553 -0.181) 5.110 8.379 ( -25.313 -14.614 2.716) 29.355 12.016 ( 3.948 2.279 -3.748) 5.901======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.246 ( 2.478 1.431 0.715) 2.949 2.810 ( 12.236 7.065 -6.221) 15.438 3.055 ( 1.075 0.621 -0.217) 1.261 3.077 ( 1.747 1.009 -2.451) 3.174 3.545 ( 0.199 0.115 1.560) 1.577 3.766 ( 1.802 1.040 -2.178) 3.012 3.779 ( -6.145 -3.548 0.752) 7.136 4.856 ( 0.608 0.351 -0.018) 0.702 5.507 ( 3.529 2.037 4.410) 6.004 7.579 ( 1.825 1.054 -0.228) 2.120 7.970 ( -10.044 -5.799 1.477) 11.692 12.074 ( 2.035 1.175 -1.802) 2.961======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( -0.975 -0.563 1.637) 1.987 2.965 ( 0.989 0.571 0.395) 1.208 3.064 ( -2.147 -1.239 -3.010) 3.899 3.074 ( 0.719 0.415 0.378) 0.912 3.517 ( -10.576 -6.106 -7.607) 14.387 3.544 ( -0.666 -0.384 1.505) 1.690 3.887 ( 4.727 2.729 0.232) 5.464 4.851 ( -0.902 -0.521 0.066) 1.044 5.520 ( -3.740 -2.159 4.809) 6.463 7.580 ( -1.687 -0.974 -0.191) 1.957 7.952 ( 8.027 4.634 0.714) 9.296 12.103 ( 0.903 0.521 -0.606) 1.206======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.209 ( -4.794 -2.768 3.173) 6.381 2.818 ( -14.553 -8.402 10.174) 19.644 2.963 ( -5.534 -3.195 -4.385) 7.750 3.087 ( -0.474 -0.274 0.937) 1.085 3.305 ( -4.457 -2.574 -13.798) 14.727 3.524 ( -1.481 -0.855 1.642) 2.371 3.971 ( 2.231 1.288 -2.680) 3.717 4.821 ( -1.910 -1.103 1.199) 2.510 5.377 ( -9.204 -5.314 3.866) 11.309 7.508 ( -4.288 -2.476 -0.056) 4.952 8.308 ( 22.015 12.710 -0.224) 25.421 12.115 ( 0.189 0.109 0.360) 0.421======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( -9.526 -5.500 5.270) 12.197 2.435 ( -20.530 -11.853 10.807) 26.053 2.800 ( -6.872 -3.968 -6.195) 10.067 3.000 ( -7.716 -4.455 -2.171) 9.170 3.237 ( 1.176 0.679 -8.148) 8.260 3.485 ( -2.355 -1.360 1.817) 3.271 3.934 ( -5.153 -2.975 -4.230) 7.300 4.731 ( -8.552 -4.938 3.361) 10.432 5.211 ( -2.942 -1.698 0.980) 3.535 7.400 ( -4.756 -2.746 0.123) 5.493 8.899 ( 28.748 16.598 -1.414) 33.225 12.114 ( -0.439 -0.253 0.974) 1.098======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( -14.636 -8.450 7.423) 18.458 1.977 ( -21.974 -12.686 9.730) 27.175 2.631 ( -5.824 -3.362 -7.400) 9.999 2.735 ( -14.765 -8.524 -2.926) 17.298 3.265 ( 2.310 1.334 -4.809) 5.500 3.429 ( -3.059 -1.766 1.867) 3.995 3.704 ( -13.559 -7.828 -3.452) 16.033 4.444 ( -15.490 -8.943 3.282) 18.184 5.289 ( 8.058 4.652 -0.733) 9.333 7.307 ( -3.180 -1.836 0.278) 3.682 9.563 ( 29.003 16.745 -2.636) 33.593 12.099 ( -1.176 -0.679 0.496) 1.446======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( -0.000 19.057 15.347) 24.469 0.851 ( -0.000 17.376 19.226) 25.915 1.286 ( -0.000 20.903 32.187) 38.379 2.278 ( 0.000 -0.066 -9.106) 9.106 2.541 ( 0.000 15.786 -12.872) 20.369 3.261 ( -0.000 2.089 1.827) 2.775 3.266 ( -0.000 2.478 1.212) 2.758 3.894 ( -0.000 -12.077 -0.207) 12.079 5.891 ( -0.000 -8.170 -0.156) 8.172 7.302 ( -0.000 -1.188 0.931) 1.510 9.070 ( 0.000 92.510 -57.453) 108.899 12.559 ( -0.000 -29.516 8.652) 30.758======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.013 ( 2.332 22.747 9.296) 24.684 1.044 ( -0.735 14.376 20.869) 25.352 1.825 ( 21.672 21.770 20.527) 36.945 2.323 ( 7.242 0.024 -9.071) 11.607 2.673 ( 2.603 14.708 -13.921) 20.418 3.288 ( 0.548 2.362 0.909) 2.590 3.312 ( 1.908 2.023 -0.220) 2.790 3.864 ( 3.453 3.739 -0.214) 5.094 5.760 ( -4.709 -8.691 -1.904) 10.066 7.283 ( -0.890 -0.878 0.820) 1.495 9.991 ( 32.790 39.694 -36.704) 63.230 12.092 ( -21.608 -22.931 3.661) 31.720======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( 4.376 13.893 13.512) 19.868 1.334 ( 6.292 21.805 4.994) 23.237 2.441 ( 19.211 14.439 14.272) 27.951 2.452 ( 10.028 2.642 -6.881) 12.446 2.838 ( 6.722 11.465 -15.906) 20.728 3.355 ( 3.544 5.800 0.703) 6.833 3.378 ( 3.051 3.921 -1.622) 5.227 4.051 ( 9.241 8.670 2.184) 12.858 5.560 ( -7.226 -8.886 -2.279) 11.678 7.272 ( -0.357 1.001 0.648) 1.245 10.547 ( 11.339 -2.625 -0.876) 11.672 11.554 ( -15.812 -4.020 -15.879) 22.767======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 9.492 13.656 5.438) 17.497 1.668 ( 7.258 19.082 2.050) 20.519 2.620 ( 8.733 4.739 -5.099) 11.168 2.819 ( 7.517 6.860 1.935) 10.359 3.045 ( 12.371 4.754 -5.298) 14.273 3.456 ( 0.928 7.229 0.461) 7.303 3.586 ( 11.595 11.237 -2.382) 16.322 4.328 ( 11.720 8.098 3.503) 14.670 5.343 ( -7.136 -7.471 -1.812) 10.489 7.305 ( 1.110 4.393 0.475) 4.555 10.214 ( -27.048 -24.770 11.935) 38.569 11.540 ( 10.519 7.840 -19.767) 23.724======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 11.580 12.250 2.672) 17.068 1.966 ( 7.728 16.295 -2.178) 18.166 2.803 ( 7.224 6.641 -3.656) 10.471 2.932 ( 3.438 2.123 -5.231) 6.610 3.284 ( 10.938 2.055 3.259) 11.597 3.547 ( 0.550 8.238 0.376) 8.265 3.868 ( 8.144 8.604 -3.504) 12.355 4.611 ( 11.069 5.693 3.500) 12.929 5.195 ( -2.021 -3.374 -0.476) 3.962 7.400 ( 2.259 8.403 0.355) 8.709 9.461 ( -33.921 -22.078 6.194) 40.944 11.740 ( 11.294 1.123 -9.877) 15.045======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( 4.201 9.956 2.204) 11.029 2.298 ( 14.438 13.516 -5.350) 20.488 2.964 ( 4.893 5.251 -2.141) 7.490 2.984 ( 2.818 1.969 -4.473) 5.641 3.463 ( 6.649 0.991 3.275) 7.478 3.643 ( 1.168 8.064 0.716) 8.179 3.971 ( -0.864 2.102 -3.785) 4.415 4.790 ( 4.177 2.058 1.675) 4.948 5.247 ( 8.133 1.469 2.334) 8.588 7.538 ( 1.668 11.755 0.287) 11.876 8.718 ( -30.814 -16.452 2.880) 35.049 11.878 ( 9.095 -3.770 -4.772) 10.941======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.264 ( 0.796 7.401 1.198) 7.539 2.645 ( 13.627 9.750 -6.013) 17.803 3.018 ( 2.649 -0.790 -1.128) 2.985 3.079 ( 1.494 6.095 -2.656) 6.814 3.549 ( 1.478 1.101 1.625) 2.457 3.748 ( 2.865 4.808 1.492) 5.792 3.884 ( -8.029 0.011 -3.440) 8.735 4.845 ( 1.156 0.760 0.265) 1.409 5.426 ( 8.397 0.086 4.396) 9.478 7.677 ( -0.810 14.175 0.217) 14.200 8.146 ( -20.717 -9.248 1.356) 22.728 11.956 ( 7.540 -6.576 -2.425) 10.295======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.317 ( -2.046 4.718 1.276) 5.298 2.891 ( 8.219 4.439 -5.380) 10.779 3.045 ( 1.571 -1.301 0.910) 2.233 3.119 ( -2.016 4.450 -2.196) 5.356 3.536 ( -3.586 -3.188 -1.366) 4.989 3.695 ( -9.275 0.346 -0.477) 9.294 3.861 ( 1.997 6.240 -0.660) 6.585 4.856 ( -0.185 -0.347 -0.045) 0.395 5.519 ( 2.247 -3.835 5.219) 6.855 7.777 ( -11.013 18.154 -0.306) 21.235 7.876 ( 1.706 -4.118 1.174) 4.609 11.998 ( 6.600 -7.862 -1.289) 10.346======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.294 ( -4.983 1.653 2.095) 5.652 2.959 ( -2.709 -1.461 2.224) 3.797 3.018 ( -4.404 -1.932 -0.579) 4.843 3.104 ( -1.773 1.877 -0.515) 2.633 3.336 ( -8.869 -5.115 -8.671) 13.417 3.614 ( -5.167 4.688 0.575) 7.000 3.948 ( 2.003 4.321 -2.022) 5.175 4.836 ( -1.095 -1.311 0.628) 1.820 5.453 ( -4.977 -7.252 4.789) 10.015 7.670 ( -11.129 6.556 0.094) 12.917 8.111 ( 14.836 13.371 0.338) 19.975 12.023 ( 5.874 -8.026 -0.625) 9.966======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.186 ( -8.499 -2.393 3.759) 9.597 2.727 ( -19.093 -6.348 9.862) 22.407 2.892 ( -7.529 -0.732 -5.804) 9.535 3.059 ( -4.544 -3.616 -1.000) 5.892 3.201 ( -0.485 1.198 -9.364) 9.453 3.573 ( -4.985 3.631 0.627) 6.200 3.976 ( -2.251 1.889 -3.744) 4.760 4.791 ( -2.969 -3.493 2.409) 5.179 5.271 ( -7.254 -6.688 2.670) 10.222 7.535 ( -10.384 3.544 0.239) 10.975 8.608 ( 24.089 17.654 -0.205) 29.867 12.038 ( 4.962 -7.497 -0.434) 9.001======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( -13.102 -7.763 6.184) 16.437 2.327 ( -23.143 -4.756 7.027) 24.650 2.722 ( -9.008 0.070 -6.678) 11.214 2.875 ( -10.572 -5.777 -1.095) 12.097 3.220 ( 2.153 1.796 -6.226) 6.828 3.515 ( -5.387 2.147 0.918) 5.871 3.857 ( -10.949 -1.334 -3.574) 11.595 4.609 ( -12.314 -9.201 3.964) 15.875 5.205 ( 3.955 0.697 -0.240) 4.023 7.399 ( -8.024 1.487 0.369) 8.169 9.239 ( 28.006 17.630 -0.409) 33.095 12.039 ( 3.567 -6.778 -1.446) 7.795======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( -0.000 20.332 11.029) 23.131 1.322 ( -0.000 19.053 15.469) 24.542 1.930 ( -0.000 26.362 19.995) 33.087 2.232 ( 0.000 1.692 -11.002) 11.131 2.761 ( 0.000 14.231 -14.542) 20.346 3.294 ( 0.000 1.109 -1.278) 1.692 3.327 ( -0.000 3.321 1.645) 3.706 3.892 ( 0.000 9.725 -0.437) 9.735 5.695 ( 0.000 -10.851 -2.112) 11.054 7.281 ( -0.000 -1.182 0.762) 1.407 10.010 ( 0.000 33.135 -23.199) 40.449 12.051 ( 0.000 -21.717 -2.957) 21.918======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( -1.192 18.123 10.568) 21.013 1.544 ( -0.190 22.100 10.601) 24.512 2.287 ( 7.983 3.761 -10.633) 13.818 2.367 ( 12.865 19.849 15.175) 28.103 2.844 ( 0.955 10.168 -16.598) 19.489 3.337 ( 2.616 5.586 -1.699) 6.398 3.393 ( 2.683 5.103 1.599) 5.983 4.049 ( 3.899 13.486 1.479) 14.116 5.545 ( -3.516 -11.145 -2.274) 11.905 7.280 ( 0.600 0.418 0.684) 1.001 10.297 ( 12.146 1.417 -2.525) 12.487 11.733 ( -13.457 -7.392 -13.611) 20.518======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 1.015 16.788 7.297) 18.333 1.811 ( 2.299 21.875 5.045) 22.567 2.473 ( 11.438 5.388 -7.998) 14.961 2.776 ( 9.169 10.281 8.187) 16.025 2.914 ( 5.729 6.380 -12.090) 14.822 3.457 ( 4.155 5.402 -2.075) 7.124 3.569 ( 7.195 13.740 0.912) 15.537 4.274 ( 6.257 12.140 2.916) 13.965 5.358 ( -5.055 -9.624 -2.002) 11.053 7.327 ( 2.170 4.382 0.765) 4.949 10.262 ( -4.972 -27.476 10.897) 29.973 11.513 ( -4.845 9.115 -19.668) 22.212======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 6.015 15.743 3.684) 17.251 2.065 ( 2.366 18.785 1.224) 18.972 2.710 ( 10.346 7.315 -4.678) 13.507 2.889 ( 2.435 3.510 -8.835) 9.814 3.150 ( 10.440 5.923 5.548) 13.223 3.569 ( 3.815 4.751 -1.713) 6.330 3.853 ( 7.147 14.576 -1.332) 16.288 4.511 ( 8.289 8.314 3.638) 12.291 5.195 ( -3.486 -5.967 -1.302) 7.032 7.449 ( 3.537 9.699 0.945) 10.367 9.743 ( -22.674 -27.741 6.828) 36.473 11.561 ( 5.608 3.441 -11.636) 13.367======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.164 ( 7.919 13.372 3.859) 16.013 2.274 ( 3.303 15.751 -3.290) 16.426 2.892 ( 5.194 1.270 -3.187) 6.224 2.972 ( 4.445 9.341 -6.454) 12.193 3.371 ( 7.812 3.735 5.116) 10.058 3.667 ( 3.222 3.578 -1.433) 5.024 4.033 ( -0.199 10.072 -2.640) 10.414 4.727 ( 7.205 4.283 3.225) 8.981 5.147 ( 3.304 -1.583 0.297) 3.675 7.631 ( 3.239 13.304 1.216) 13.747 9.081 ( -27.907 -17.682 2.383) 33.123 11.647 ( 8.371 -5.838 -5.505) 11.595======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.359 ( 0.137 10.559 2.780) 10.920 2.525 ( 10.418 12.078 -4.714) 16.632 2.950 ( 3.476 -0.646 -2.264) 4.198 3.121 ( 2.113 9.884 -3.286) 10.628 3.518 ( 4.316 2.102 2.874) 5.596 3.734 ( 2.445 0.219 -0.777) 2.575 4.052 ( -6.601 9.457 -2.514) 11.804 4.835 ( 1.698 1.861 1.001) 2.711 5.267 ( 9.903 -1.560 3.195) 10.522 7.791 ( 0.988 8.005 1.581) 8.219 8.524 ( -25.482 0.916 0.007) 25.498 11.697 ( 9.573 -12.187 -2.666) 15.725======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.430 ( -2.933 7.936 1.230) 8.549 2.778 ( 8.941 6.934 -5.159) 12.435 2.994 ( 3.000 -1.008 0.511) 3.206 3.206 ( -1.567 7.863 -2.118) 8.292 3.561 ( -1.473 -0.448 -0.703) 1.693 3.744 ( 0.510 -2.892 0.892) 3.069 4.023 ( -7.899 13.029 -1.949) 15.360 4.856 ( -0.197 0.187 -0.129) 0.301 5.405 ( 7.366 -5.001 4.804) 10.117 7.797 ( 0.413 -7.160 1.320) 7.293 8.286 ( -19.445 26.890 -0.535) 33.188 11.726 ( 10.657 -15.370 -1.508) 18.764======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.423 ( -5.625 4.600 1.155) 7.358 2.921 ( 4.378 2.314 -6.291) 8.006 3.034 ( 1.623 -0.968 4.259) 4.660 3.202 ( -5.555 3.910 -1.402) 6.936 3.442 ( -8.939 -2.408 -3.487) 9.893 3.720 ( -1.888 0.175 0.812) 2.062 4.036 ( -4.945 12.233 -1.897) 13.330 4.840 ( -0.865 -1.318 0.100) 1.579 5.427 ( 0.870 -8.249 4.830) 9.598 7.770 ( 3.524 -5.069 0.911) 6.240 8.296 ( -12.980 30.690 -0.379) 33.324 11.756 ( 11.223 -15.457 -1.052) 19.130======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( -8.609 0.460 2.000) 8.850 2.944 ( -0.829 0.266 -6.004) 6.067 2.997 ( -12.346 -1.599 7.575) 14.573 3.083 ( -3.475 -3.431 -1.820) 5.212 3.273 ( -7.768 3.698 -5.499) 10.211 3.683 ( -3.483 1.307 -0.251) 3.729 4.064 ( -4.064 9.366 -2.572) 10.529 4.801 ( -1.654 -3.097 1.498) 3.818 5.312 ( -4.879 -8.856 3.327) 10.645 7.748 ( -6.147 1.244 1.025) 6.354 8.502 ( 7.044 23.652 -0.456) 24.683 11.799 ( 10.574 -13.148 -1.109) 16.908======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( -12.444 -3.859 3.643) 13.528 2.672 ( -19.908 -4.121 0.209) 20.332 2.865 ( -7.322 1.387 -3.704) 8.322 2.988 ( -7.059 -1.871 2.791) 7.818 3.214 ( -1.835 3.184 -6.049) 7.077 3.625 ( -4.594 1.067 0.008) 4.716 4.037 ( -8.326 6.584 -3.007) 11.032 4.698 ( -6.633 -7.607 3.648) 10.732 5.176 ( -1.785 -3.470 0.579) 3.945 7.603 ( -11.914 2.398 0.952) 12.190 8.967 ( 22.174 16.722 0.246) 27.773 11.845 ( 8.421 -9.747 -2.302) 13.085======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( -0.000 20.544 5.394) 21.241 1.779 ( -0.000 17.941 13.082) 22.204 2.215 ( 0.000 3.921 -12.072) 12.692 2.517 ( -0.000 21.407 14.021) 25.590 2.866 ( 0.000 5.839 -17.679) 18.618 3.391 ( 0.000 10.528 -1.000) 10.575 3.408 ( -0.000 3.826 1.232) 4.019 4.182 ( -0.000 17.537 1.942) 17.644 5.454 ( 0.000 -11.626 -2.066) 11.808 7.276 ( -0.000 0.582 0.386) 0.699 10.163 ( -0.000 -11.923 5.863) 13.286 11.756 ( 0.000 -0.204 -17.441) 17.442======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.856 ( -3.400 17.730 3.604) 18.409 2.004 ( 1.573 18.006 8.162) 19.832 2.319 ( 9.563 7.175 -10.272) 15.763 2.787 ( 4.545 10.763 7.470) 13.868 2.879 ( 2.380 7.512 -11.247) 13.732 3.460 ( 1.566 5.428 -0.549) 5.676 3.569 ( 6.566 12.057 0.047) 13.729 4.376 ( 0.873 17.575 2.382) 17.757 5.317 ( -2.353 -9.869 -1.690) 10.286 7.318 ( 3.126 3.201 0.401) 4.492 10.015 ( 1.871 -29.432 10.265) 31.226 11.672 ( -7.226 8.666 -17.372) 20.715======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( 0.344 15.361 1.773) 15.467 2.219 ( 1.544 16.187 2.310) 16.424 2.579 ( 12.184 9.833 -5.704) 16.664 2.852 ( 2.255 3.046 -10.257) 10.935 3.094 ( 7.141 9.536 7.922) 14.307 3.548 ( 2.801 4.687 -1.347) 5.624 3.833 ( 9.914 11.041 -0.320) 14.843 4.557 ( 0.794 14.068 2.489) 14.308 5.186 ( -2.859 -5.649 -1.224) 6.449 7.457 ( 6.319 8.182 0.803) 10.369 9.689 ( -5.633 -34.324 7.331) 35.548 11.594 ( -6.184 7.637 -11.757) 15.323======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.193 ( 5.220 13.813 2.061) 14.910 2.389 ( 1.122 13.512 -1.678) 13.662 2.812 ( 5.608 4.097 -3.133) 7.619 2.950 ( 6.985 9.841 -7.651) 14.289 3.312 ( 6.585 5.886 7.009) 11.275 3.629 ( 2.837 2.387 -1.620) 4.046 4.083 ( 6.936 8.875 -1.320) 11.341 4.702 ( 2.638 8.550 2.974) 9.429 5.114 ( -1.236 -0.981 -0.848) 1.792 7.679 ( 6.334 11.548 1.475) 13.253 9.241 ( -12.248 -24.586 2.611) 27.592 11.527 ( -2.431 -1.376 -6.011) 6.629======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.430 ( 5.747 10.602 3.665) 12.604 2.524 ( 2.187 11.560 -4.414) 12.566 2.887 ( 2.856 1.440 -2.804) 4.253 3.162 ( 5.033 11.731 -3.757) 13.307 3.475 ( 4.933 3.309 4.727) 7.591 3.676 ( 2.417 -1.118 -1.666) 3.142 4.225 ( -0.460 10.441 -1.880) 10.619 4.832 ( 2.933 4.435 2.710) 5.968 5.122 ( 3.886 -1.340 0.366) 4.126 7.831 ( 0.192 1.943 2.040) 2.824 8.898 ( -12.110 2.311 -0.446) 12.337 11.444 ( 2.208 -11.938 -2.713) 12.440======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.557 ( -1.450 7.850 1.059) 8.052 2.702 ( 6.970 7.899 -3.073) 10.973 2.939 ( 2.740 0.650 -0.542) 2.867 3.304 ( -0.059 9.688 -1.991) 9.891 3.568 ( 1.514 1.593 1.486) 2.652 3.686 ( 2.184 -3.152 -0.997) 3.963 4.284 ( -5.714 14.023 -1.363) 15.204 4.877 ( -1.474 1.910 0.120) 2.416 5.215 ( 9.087 -5.810 3.336) 11.290 7.734 ( -3.353 -10.822 1.272) 11.401 8.876 ( -12.847 30.602 -0.709) 33.197 11.364 ( 8.291 -20.289 -1.351) 21.959======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.570 ( -4.909 5.330 0.466) 7.261 2.850 ( 4.844 3.568 -5.348) 8.049 2.996 ( 3.089 0.111 3.113) 4.387 3.333 ( -4.757 4.760 -0.665) 6.763 3.551 ( -4.815 1.539 -1.705) 5.335 3.699 ( 2.228 -2.224 0.005) 3.148 4.303 ( -8.640 15.419 -0.880) 17.696 4.847 ( -1.813 -0.969 -0.575) 2.134 5.293 ( 6.300 -8.883 4.151) 11.654 7.628 ( 3.443 -8.313 0.683) 9.024 8.938 ( -19.953 35.782 -0.386) 40.971 11.340 ( 14.443 -22.258 -0.967) 26.551======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.496 ( -8.225 2.058 1.123) 8.553 2.909 ( 2.025 0.881 -7.550) 7.866 3.055 ( 1.925 -0.555 3.730) 4.234 3.223 ( -10.530 -0.231 2.047) 10.729 3.453 ( -8.628 4.276 -2.781) 10.023 3.702 ( 0.385 -1.568 -0.686) 1.755 4.291 ( -8.946 13.326 -1.181) 16.094 4.802 ( -1.485 -2.869 0.828) 3.335 5.271 ( 0.566 -9.150 2.846) 9.599 7.690 ( 8.497 -3.350 1.038) 9.192 8.895 ( -19.555 26.997 -0.616) 33.341 11.415 ( 16.625 -16.481 -1.089) 23.435======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.337 ( -11.541 -0.820 2.163) 11.770 2.858 ( -7.192 -3.828 -10.099) 12.976 2.985 ( -6.870 -0.827 -1.511) 7.083 3.107 ( -5.406 2.934 10.142) 11.862 3.328 ( -8.645 3.046 -4.385) 10.161 3.681 ( -1.533 0.005 -0.436) 1.594 4.251 ( -8.322 8.776 -2.008) 12.260 4.730 ( -3.764 -4.765 3.162) 6.847 5.178 ( -2.403 -5.100 0.540) 5.664 7.761 ( -1.508 -0.263 1.722) 2.303 8.898 ( 0.153 12.998 -0.564) 13.011 11.556 ( 13.920 -7.977 -2.084) 16.179======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.094 ( 0.000 19.276 -3.146) 19.531 2.135 ( -0.000 7.842 6.299) 10.059 2.285 ( 0.000 13.073 -6.973) 14.817 2.810 ( 0.000 2.229 -7.921) 8.228 2.966 ( -0.000 14.143 6.394) 15.521 3.488 ( -0.000 3.538 0.743) 3.616 3.632 ( 0.000 12.263 -1.166) 12.319 4.563 ( -0.000 18.454 1.766) 18.538 5.245 ( 0.000 -7.128 -1.065) 7.207 7.314 ( 0.000 3.252 0.017) 3.252 9.715 ( -0.000 -34.330 9.819) 35.707 11.779 ( 0.000 9.538 -14.417) 17.286======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( -2.339 10.257 -2.548) 10.825 2.317 ( 3.624 12.218 -3.332) 13.173 2.498 ( 8.120 14.590 -2.222) 16.844 2.822 ( 1.285 3.268 -6.558) 7.439 3.140 ( 2.657 10.686 8.735) 14.055 3.548 ( 2.397 3.804 -0.048) 4.496 3.781 ( 5.524 8.119 -0.549) 9.835 4.720 ( -1.315 13.539 0.886) 13.632 5.188 ( -1.687 -0.201 -0.418) 1.749 7.412 ( 6.470 6.011 0.150) 8.833 9.388 ( -0.040 -36.898 7.069) 37.569 11.771 ( -6.833 8.431 -10.011) 14.764======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.250 ( 3.100 10.250 -0.618) 10.726 2.462 ( 2.561 9.503 -5.215) 11.139 2.773 ( 6.717 10.561 -1.520) 12.608 2.896 ( 5.552 7.178 -5.094) 10.407 3.311 ( 3.767 7.059 8.208) 11.463 3.622 ( 1.471 3.376 -0.556) 3.725 3.974 ( 10.387 3.663 -0.254) 11.017 4.793 ( -1.336 6.674 0.715) 6.844 5.179 ( -3.682 6.696 -0.460) 7.655 7.646 ( 10.154 9.730 0.779) 14.085 9.048 ( 0.102 -32.388 3.251) 32.551 11.654 ( -10.906 3.813 -5.671) 12.871======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.432 ( 6.095 8.931 1.777) 10.958 2.571 ( 2.480 7.360 -4.717) 9.087 2.882 ( 0.683 5.546 -2.317) 6.049 3.136 ( 9.718 10.540 -3.166) 14.682 3.451 ( 3.732 3.729 6.216) 8.153 3.650 ( -0.352 0.748 -0.724) 1.099 4.200 ( 11.013 4.327 -0.591) 11.847 4.840 ( 1.385 2.932 1.872) 3.744 5.165 ( -5.739 6.596 -1.170) 8.821 7.842 ( 1.216 1.392 1.595) 2.441 8.886 ( 9.040 -9.575 0.069) 13.168 11.442 ( -12.045 -4.139 -2.631) 13.005======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( 4.034 5.805 1.296) 7.187 2.674 ( 3.733 6.054 -2.180) 7.439 2.929 ( 0.315 3.911 -1.746) 4.295 3.360 ( 5.090 9.294 -1.927) 10.770 3.551 ( 3.176 1.539 3.885) 5.248 3.630 ( -0.361 -1.846 -1.331) 2.304 4.413 ( 5.741 9.247 -1.031) 10.933 4.911 ( 3.246 0.643 2.750) 4.303 5.103 ( -4.507 0.310 -1.081) 4.645 7.713 ( -6.639 -11.132 0.977) 12.998 9.170 ( 12.546 21.276 -0.512) 24.705 11.155 ( -8.825 -15.495 -1.056) 17.863======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.679 ( -1.470 4.486 0.003) 4.720 2.792 ( 4.414 2.658 -2.004) 5.528 2.968 ( 1.430 1.922 0.799) 2.525 3.450 ( -3.030 5.002 -0.019) 5.849 3.614 ( -0.058 2.839 -0.130) 2.842 3.620 ( 3.451 -2.747 -0.690) 4.465 4.560 ( -1.989 13.915 -0.425) 14.063 4.906 ( -6.191 1.115 -1.207) 6.405 5.079 ( 7.790 -9.735 2.942) 12.810 7.527 ( -1.819 -8.770 0.377) 8.964 9.560 ( -5.236 36.715 -0.254) 37.088 10.881 ( 5.235 -27.750 -0.574) 28.245======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.649 ( -6.238 2.426 1.144) 6.791 2.856 ( 2.813 0.535 -5.511) 6.210 3.021 ( 2.350 0.184 2.449) 3.399 3.388 ( -7.194 1.541 2.275) 7.700 3.598 ( -3.995 1.586 -2.787) 5.123 3.658 ( 2.012 -0.212 -0.129) 2.027 4.592 ( -10.615 12.548 -0.099) 16.436 4.803 ( -2.110 -3.135 0.013) 3.779 5.128 ( 6.599 -8.497 1.794) 10.907 7.512 ( 6.804 -3.371 0.452) 7.607 9.570 ( -28.181 23.300 -0.302) 36.567 10.900 ( 23.355 -17.540 -0.664) 29.216======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.527 ( -9.795 0.168 1.957) 9.990 2.862 ( -0.498 -0.846 -7.473) 7.537 3.031 ( -1.546 -1.466 -1.475) 2.591 3.288 ( -7.396 2.867 7.575) 10.968 3.487 ( -8.204 -0.151 -3.232) 8.819 3.686 ( 0.902 1.114 -0.630) 1.566 4.463 ( -10.435 1.182 -1.119) 10.561 4.769 ( -2.483 0.598 3.327) 4.195 5.143 ( 1.895 -3.183 -0.649) 3.761 7.660 ( 10.379 -0.232 1.212) 10.452 9.198 ( -23.915 0.285 -0.644) 23.925 11.213 ( 20.384 0.131 -1.314) 20.426======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( 0.000 3.679 -3.802) 5.291 2.375 ( 0.000 13.425 -12.687) 18.471 2.582 ( -0.000 13.981 2.864) 14.271 2.846 ( 0.000 5.968 -1.503) 6.154 3.246 ( -0.000 9.180 8.961) 12.829 3.552 ( -0.000 2.579 0.233) 2.590 3.806 ( 0.000 5.243 -0.428) 5.260 4.827 ( 0.000 5.412 -0.445) 5.430 5.254 ( 0.000 10.114 0.220) 10.116 7.399 ( 0.000 5.109 -0.146) 5.111 9.042 ( -0.000 -36.353 5.511) 36.768 11.887 ( 0.000 7.318 -7.259) 10.307======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( 2.889 5.115 -2.666) 6.451 2.474 ( 2.498 8.530 -10.535) 13.783 2.773 ( 6.048 12.157 1.074) 13.621 2.912 ( 0.037 7.275 -0.647) 7.303 3.365 ( 1.141 6.716 8.660) 11.018 3.614 ( 3.493 2.938 0.217) 4.569 3.866 ( 3.931 0.866 -0.109) 4.027 4.848 ( -0.625 1.551 -0.523) 1.752 5.351 ( -3.480 13.615 -0.430) 14.059 7.546 ( 10.170 7.092 0.050) 12.399 8.712 ( 0.624 -33.177 3.084) 33.326 11.861 ( -8.139 5.012 -4.340) 10.497======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.400 ( 6.288 5.335 -0.066) 8.247 2.567 ( 3.033 5.834 -5.504) 8.575 2.948 ( -0.667 8.267 -2.321) 8.612 3.045 ( 9.714 7.820 -0.614) 12.486 3.459 ( 1.514 2.879 6.683) 7.433 3.683 ( -0.425 3.025 0.645) 3.123 3.999 ( 12.480 -0.382 0.066) 12.486 4.850 ( -0.138 0.784 0.095) 0.801 5.378 ( -7.504 11.004 -1.443) 13.398 7.812 ( 7.247 5.231 0.662) 8.962 8.509 ( 12.689 -21.392 0.666) 24.881 11.681 ( -15.416 1.488 -2.008) 15.617======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.562 ( 6.688 3.391 0.697) 7.531 2.662 ( 3.201 4.585 -1.002) 5.681 2.985 ( -1.566 5.627 -2.780) 6.469 3.290 ( 10.127 5.960 -1.488) 11.845 3.521 ( 2.471 -0.195 4.598) 5.224 3.666 ( -3.358 1.203 0.298) 3.580 4.265 ( 16.018 2.474 0.012) 16.208 4.860 ( 1.056 -0.865 1.075) 1.738 5.301 ( -10.900 6.478 -2.101) 12.852 7.747 ( -8.127 -8.379 0.466) 11.682 8.867 ( 33.191 4.384 -0.121) 33.480 11.351 ( -21.484 -3.429 -0.582) 21.764======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.686 ( 4.779 1.954 -0.598) 5.198 2.750 ( 2.350 2.088 1.805) 3.625 2.996 ( -1.345 3.386 -1.595) 3.977 3.469 ( 6.091 1.763 -2.050) 6.664 3.572 ( 1.176 -0.418 2.495) 2.789 3.623 ( -1.056 1.185 0.612) 1.701 4.564 ( 13.445 5.847 -0.731) 14.679 4.873 ( 3.018 -4.887 2.196) 6.150 5.128 ( -13.227 2.227 -2.122) 13.580 7.530 ( -6.943 -5.831 0.036) 9.067 9.558 ( 34.615 13.763 -0.013) 37.250 10.876 ( -26.289 -9.666 0.012) 28.010======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.755 ( -2.343 2.623 2.272) 4.187 2.781 ( 3.749 -2.038 -2.696) 5.047 3.008 ( 0.376 1.412 0.525) 1.553 3.508 ( -3.270 0.351 1.153) 3.485 3.554 ( 2.028 -2.234 -1.924) 3.578 3.674 ( 1.405 1.929 0.681) 2.481 4.795 ( 1.901 5.082 -0.172) 5.429 4.868 ( -0.230 -5.650 0.291) 5.663 4.925 ( -2.963 -0.754 -0.130) 3.060 7.433 ( -0.319 -0.353 -0.000) 0.476 10.268 ( -22.417 -24.904 -0.000) 33.507 10.273 ( 23.204 25.778 0.000) 34.683======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.670 ( -6.692 -2.283 1.781) 7.292 2.829 ( 2.071 0.938 -3.713) 4.354 3.027 ( 0.334 0.013 -0.270) 0.430 3.433 ( -5.410 -0.355 3.925) 6.693 3.547 ( -1.026 -1.746 -2.776) 3.437 3.692 ( -0.304 1.328 -0.185) 1.375 4.592 ( -9.883 -10.758 -0.516) 14.618 4.857 ( -3.404 3.624 2.840) 5.726 5.052 ( 7.413 3.433 -1.661) 8.336 7.509 ( 7.079 2.817 0.349) 7.627 9.572 ( -28.284 -22.910 -0.221) 36.399 10.906 ( 22.848 18.437 -0.436) 29.362======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( 0.000 3.231 -3.098) 4.476 2.506 ( 0.000 8.244 -9.136) 12.306 2.829 ( -0.000 8.929 2.793) 9.355 2.994 ( 0.000 7.892 -0.839) 7.936 3.449 ( -0.000 5.970 8.930) 10.742 3.590 ( 0.000 1.297 -0.296) 1.331 3.839 ( -0.000 -1.175 0.087) 1.178 4.859 ( 0.000 0.626 -0.652) 0.904 5.519 ( 0.000 13.294 -1.334) 13.361 7.500 ( 0.000 4.724 -0.058) 4.724 8.412 ( -0.000 -28.060 1.858) 28.121 11.970 ( 0.000 4.169 -2.568) 4.896======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.333 ( 5.041 2.828 -1.715) 6.030 2.575 ( 1.402 6.828 -3.429) 7.769 2.967 ( 6.182 6.382 1.417) 8.997 3.047 ( -1.444 6.211 -2.055) 6.699 3.497 ( -1.323 1.417 5.966) 6.273 3.685 ( 6.304 4.127 1.821) 7.752 3.831 ( 2.887 -3.782 -0.384) 4.773 4.861 ( -0.309 0.563 -0.427) 0.771 5.586 ( -4.829 9.379 -2.347) 10.807 7.679 ( 14.004 6.096 0.078) 15.273 8.168 ( 0.704 -21.788 0.514) 21.805 11.919 ( -9.321 2.661 -0.927) 9.737======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( 7.235 1.297 -0.725) 7.386 2.663 ( 2.104 5.217 1.704) 5.878 3.062 ( -2.041 4.775 -2.989) 5.992 3.160 ( 9.694 3.693 0.170) 10.375 3.494 ( 0.424 -2.800 4.030) 4.926 3.739 ( -2.955 1.320 0.916) 3.364 3.985 ( 16.378 -0.528 0.490) 16.394 4.856 ( -0.461 -0.057 -0.087) 0.473 5.526 ( -9.055 4.504 -2.939) 10.532 7.820 ( -6.651 -3.101 -0.159) 7.340 8.276 ( 32.795 -3.306 0.090) 32.962 11.699 ( -18.326 1.054 0.205) 18.358======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.583 ( 6.729 -1.074 -0.795) 6.860 2.751 ( 1.884 3.277 4.421) 5.817 3.055 ( -2.206 3.006 -2.382) 4.425 3.342 ( 8.229 0.113 -1.890) 8.444 3.503 ( 4.247 -3.845 3.235) 6.579 3.690 ( -3.607 0.508 0.849) 3.741 4.293 ( 18.540 0.193 0.251) 18.542 4.841 ( -0.705 -1.222 0.170) 1.422 5.359 ( -11.890 0.538 -2.749) 12.216 7.640 ( -9.289 -0.879 -0.507) 9.344 8.931 ( 41.058 0.455 0.291) 41.062 11.324 ( -26.141 1.034 0.724) 26.171======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.662 ( 5.637 -3.816 -1.657) 7.006 2.807 ( -0.128 1.743 4.988) 5.285 3.036 ( -1.671 1.258 -0.657) 2.192 3.417 ( 5.158 -3.952 -4.031) 7.647 3.570 ( 2.783 -2.786 3.105) 5.015 3.654 ( -0.329 1.287 0.994) 1.659 4.590 ( 16.143 -3.664 0.225) 16.555 4.806 ( -1.260 -1.450 -0.748) 2.061 5.142 ( -11.716 0.382 -1.236) 11.787 7.516 ( -6.530 4.449 -0.535) 7.920 9.567 ( 34.407 -12.914 0.353) 36.752 10.894 ( -26.628 11.261 0.757) 28.921======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.304 ( 0.000 1.946 -1.757) 2.622 2.632 ( -0.000 7.353 1.031) 7.425 2.962 ( -0.000 2.845 2.428) 3.740 3.107 ( 0.000 4.366 -2.549) 5.056 3.561 ( -0.000 -1.606 6.153) 6.359 3.601 ( 0.000 0.179 -0.850) 0.868 3.799 ( -0.000 -1.037 0.328) 1.088 4.867 ( 0.000 0.422 -0.494) 0.650 5.694 ( 0.000 5.041 -3.353) 6.054 7.570 ( 0.000 1.972 0.145) 1.977 8.015 ( -0.000 -11.344 -0.352) 11.349 12.025 ( -0.000 2.221 0.229) 2.233======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.358 ( 4.848 0.542 -1.311) 5.051 2.711 ( 0.026 6.122 5.369) 8.143 3.043 ( 6.517 0.396 2.129) 6.867 3.121 ( -1.235 2.945 -2.934) 4.337 3.475 ( -2.328 -6.848 2.325) 7.597 3.714 ( 9.171 -4.462 -1.224) 10.272 3.807 ( 1.097 4.126 2.481) 4.938 4.864 ( -0.457 -0.044 -0.461) 0.650 5.662 ( -5.074 -0.054 -3.922) 6.413 7.768 ( 21.144 -0.227 0.250) 21.146 7.909 ( -4.735 -0.680 -0.948) 4.877 11.960 ( -9.902 1.545 1.109) 10.083======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.447 ( 6.311 -2.185 -1.306) 6.805 2.783 ( 0.406 3.596 7.383) 8.222 3.106 ( -1.750 1.203 -1.700) 2.721 3.187 ( 8.692 -1.056 -0.408) 8.765 3.389 ( 2.174 -9.460 1.556) 9.831 3.729 ( -0.502 -2.032 -0.089) 2.095 4.002 ( 14.475 1.443 1.471) 14.621 4.847 ( -0.951 -0.711 -0.550) 1.309 5.509 ( -8.510 -4.105 -3.676) 10.138 7.792 ( -6.360 0.907 -1.307) 6.556 8.287 ( 32.889 3.912 0.536) 33.125 11.731 ( -18.709 1.714 1.526) 18.849======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.509 ( 5.840 -5.697 -1.611) 8.316 2.838 ( 0.328 1.398 7.706) 7.839 3.071 ( -1.987 -1.134 0.111) 2.291 3.261 ( 5.638 -5.775 -5.855) 9.971 3.424 ( 8.482 -5.763 3.478) 10.828 3.694 ( -1.809 -0.555 1.009) 2.144 4.281 ( 16.401 -1.452 0.902) 16.490 4.811 ( -1.562 -1.795 -1.282) 2.702 5.294 ( -9.102 -4.939 -2.242) 10.596 7.701 ( -7.394 6.069 -1.407) 9.669 8.888 ( 33.228 -3.621 0.765) 33.434 11.403 ( -22.371 5.900 1.523) 23.187======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( 0.000 -0.174 -1.353) 1.364 2.804 ( -0.000 6.645 8.769) 11.002 2.971 ( -0.000 -3.443 2.870) 4.482 3.143 ( 0.000 0.956 -2.317) 2.507 3.403 ( -0.000 -14.808 0.059) 14.808 3.589 ( 0.000 -0.648 -1.389) 1.532 3.844 ( -0.000 3.187 2.434) 4.010 4.865 ( 0.000 -0.356 -0.638) 0.731 5.667 ( 0.000 -5.179 -4.505) 6.864 7.573 ( -0.000 -1.841 0.260) 1.859 7.987 ( 0.000 9.038 -1.496) 9.161 12.064 ( -0.000 1.175 1.847) 2.189======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( 3.519 -2.461 -1.811) 4.661 2.852 ( -1.992 2.041 9.006) 9.446 3.026 ( 7.407 -2.657 3.244) 8.512 3.129 ( -0.908 -1.203 -1.193) 1.922 3.240 ( 1.003 -15.814 -1.501) 15.917 3.637 ( 5.828 -2.457 -1.468) 6.493 3.898 ( 2.712 2.900 2.944) 4.943 4.852 ( -0.657 -0.753 -0.908) 1.350 5.541 ( -4.304 -9.110 -4.300) 10.955 7.673 ( 12.290 -6.213 -0.218) 13.773 8.125 ( 2.892 19.391 -1.175) 19.640 11.996 ( -9.765 0.986 2.208) 10.060======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.352 ( 4.332 -6.632 -2.274) 8.242 2.867 ( 0.044 -1.448 9.429) 9.540 3.041 ( 1.929 -12.171 0.442) 12.331 3.104 ( 1.909 -2.404 -7.116) 7.750 3.223 ( 8.615 -5.522 4.954) 11.369 3.682 ( 2.210 -2.533 -0.005) 3.361 4.041 ( 10.748 0.827 2.370) 11.037 4.816 ( -1.747 -2.167 -1.653) 3.237 5.341 ( -5.843 -9.650 -2.987) 11.670 7.760 ( 4.570 -4.790 -1.508) 6.790 8.499 ( 16.414 18.170 0.266) 24.488 11.783 ( -16.563 2.334 2.195) 16.870======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( 0.000 -3.678 -2.854) 4.656 2.875 ( -0.000 -8.056 4.678) 9.316 2.963 ( -0.000 -1.372 0.747) 1.562 3.043 ( -0.000 -16.134 9.591) 18.769 3.120 ( 0.000 -1.845 -4.218) 4.603 3.558 ( 0.000 -1.600 -1.807) 2.414 3.910 ( -0.000 1.033 3.431) 3.583 4.847 ( 0.000 -0.904 -1.362) 1.634 5.455 ( 0.000 -12.559 -4.142) 13.225 7.506 ( -0.000 -4.772 0.169) 4.775 8.324 ( 0.000 24.842 -1.805) 24.908 12.094 ( -0.000 0.416 2.531) 2.565======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.222 ( 1.657 -7.508 -3.910) 8.625 2.793 ( 2.131 -18.779 -1.342) 18.948 2.846 ( 3.675 -9.041 1.616) 9.892 3.043 ( 0.435 -5.781 3.704) 6.880 3.125 ( 2.553 1.802 5.472) 6.301 3.582 ( 4.844 -2.541 -1.237) 5.608 3.941 ( 3.092 -1.311 3.703) 4.999 4.814 ( -1.485 -3.282 -2.340) 4.295 5.296 ( -2.436 -11.135 -2.752) 11.726 7.537 ( 8.582 -7.172 -0.318) 11.189 8.612 ( 2.939 29.525 -1.083) 29.690 12.024 ( -8.988 0.429 2.448) 9.325======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.112 ( 0.000 -9.877 -5.868) 11.488 2.524 ( 0.000 -24.058 -8.148) 25.401 2.738 ( -0.000 -8.711 7.182) 11.290 2.979 ( -0.000 -9.352 2.205) 9.608 3.160 ( -0.000 3.557 8.398) 9.120 3.503 ( 0.000 -2.708 -1.997) 3.365 3.895 ( -0.000 -5.947 4.256) 7.313 4.764 ( 0.000 -9.017 -3.552) 9.691 5.221 ( 0.000 -5.032 -1.147) 5.161 7.401 ( -0.000 -5.396 -0.073) 5.396 8.896 ( 0.000 32.595 -0.722) 32.603 12.109 ( -0.000 -0.385 2.091) 2.126======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( -0.000 0.000 22.900) 22.900 0.661 ( -0.000 0.000 22.900) 22.900 1.196 ( -0.000 0.000 42.523) 42.523 2.274 ( 0.000 -0.000 -8.663) 8.663 2.274 ( 0.000 -0.000 -8.663) 8.663 3.242 ( -0.000 0.000 1.848) 1.848 3.242 ( -0.000 0.000 1.848) 1.848 4.194 ( 0.000 -0.000 -21.259) 21.259 6.081 ( -0.000 0.000 5.879) 5.879 7.317 ( -0.000 0.000 1.021) 1.021 7.317 ( -0.000 0.000 1.021) 1.021 12.947 ( -0.000 0.000 0.430) 0.430======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( 7.104 4.102 18.881) 20.586 0.936 ( 7.155 4.131 24.556) 25.908 1.554 ( 20.794 12.006 29.370) 37.936 2.314 ( 3.831 2.212 -8.086) 9.218 2.374 ( 9.779 5.646 -14.767) 18.589 3.256 ( 1.054 0.609 1.819) 2.189 3.284 ( 1.986 1.147 0.655) 2.385 3.885 ( -7.397 -4.271 -6.457) 10.708 5.895 ( -8.383 -4.840 0.913) 9.723 7.303 ( -1.262 -0.729 0.947) 1.739 8.824 ( 82.642 47.713 -41.123) 103.910 12.567 ( -29.136 -16.822 6.436) 34.253======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 13.426 7.751 12.434) 19.873 1.142 ( 6.122 3.535 19.961) 21.176 2.188 ( 25.694 14.834 17.786) 34.592 2.399 ( 5.607 3.237 -7.345) 9.791 2.572 ( 11.868 6.852 -16.650) 21.565 3.299 ( 2.136 1.233 1.776) 3.040 3.317 ( 2.216 1.280 -3.688) 4.489 3.919 ( 8.662 5.001 -0.485) 10.014 5.697 ( -9.182 -5.301 -1.891) 10.770 7.274 ( -1.224 -0.706 0.728) 1.589 10.185 ( 46.406 26.792 -26.722) 59.878 11.831 ( -34.005 -19.633 2.030) 39.318======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 10.318 5.957 9.818) 15.438 1.398 ( 14.350 8.285 7.883) 18.350 2.524 ( 7.104 4.102 -6.435) 10.426 2.690 ( 11.672 6.739 4.747) 14.290 2.863 ( 18.568 10.720 -8.415) 23.033 3.361 ( 2.744 1.584 1.821) 3.655 3.421 ( 9.074 5.239 -4.348) 11.345 4.181 ( 12.857 7.423 2.608) 15.074 5.471 ( -9.731 -5.618 -2.171) 11.444 7.264 ( 0.441 0.255 0.441) 0.674 10.647 ( -16.613 -9.591 13.629) 23.531 11.306 ( 5.835 3.369 -25.617) 26.489======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 14.762 8.523 2.300) 17.200 1.725 ( 12.340 7.125 4.695) 15.003 2.679 ( 7.914 4.569 -5.428) 10.629 2.864 ( 5.629 3.250 -4.947) 8.169 3.216 ( 12.403 7.161 0.623) 14.335 3.431 ( 2.783 1.607 1.959) 3.763 3.692 ( 13.497 7.793 -4.065) 16.107 4.491 ( 12.828 7.406 3.620) 15.248 5.267 ( -6.730 -3.886 -1.343) 7.887 7.304 ( 2.965 1.712 0.179) 3.428 9.929 ( -38.050 -21.968 8.502) 44.751 11.600 ( 15.380 8.880 -13.760) 22.466======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 9.080 5.242 2.602) 10.802 2.047 ( 17.203 9.932 -1.852) 19.951 2.842 ( 7.398 4.271 -4.460) 9.637 2.951 ( 3.519 2.032 -3.905) 5.636 3.460 ( 9.051 5.225 0.915) 10.491 3.495 ( 2.203 1.272 2.045) 3.264 3.910 ( 5.594 3.230 -4.317) 7.769 4.741 ( 6.894 3.980 2.623) 8.381 5.214 ( 3.339 1.928 1.237) 4.050 7.395 ( 4.736 2.734 -0.023) 5.469 9.100 ( -35.054 -20.238 4.125) 40.686 11.845 ( 8.952 5.168 -6.312) 12.111======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.157 ( 5.724 3.305 1.538) 6.786 2.430 ( 16.614 9.592 -4.485) 19.702 2.977 ( 5.291 3.055 -3.651) 7.117 3.010 ( 2.500 1.443 -1.585) 3.293 3.540 ( 1.171 0.676 1.965) 2.385 3.640 ( 6.636 3.831 -0.178) 7.664 3.916 ( -3.502 -2.022 -3.539) 5.374 4.829 ( 1.777 1.026 0.717) 2.174 5.388 ( 8.630 4.983 4.288) 10.849 7.503 ( 4.379 2.528 -0.180) 5.060 8.402 ( -25.841 -14.919 2.289) 29.926 11.984 ( 4.811 2.777 -3.137) 6.379======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.255 ( 2.559 1.477 1.321) 3.236 2.752 ( 12.508 7.221 -6.348) 15.776 3.050 ( 1.828 1.055 -3.220) 3.850 3.057 ( 1.699 0.981 0.690) 2.079 3.560 ( 0.113 0.065 1.803) 1.808 3.721 ( -5.239 -3.025 -5.422) 8.124 3.800 ( 0.576 0.332 1.558) 1.694 4.856 ( 0.497 0.287 0.136) 0.589 5.554 ( 3.684 2.127 5.589) 7.024 7.577 ( 1.820 1.051 -0.277) 2.119 7.984 ( -10.325 -5.961 1.566) 12.024 12.057 ( 2.498 1.442 -1.823) 3.413======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.283 ( -0.566 -0.327 1.851) 1.963 2.945 ( 5.580 3.222 -4.833) 8.055 3.034 ( -2.442 -1.410 -3.571) 4.551 3.087 ( 0.325 0.187 2.573) 2.601 3.456 ( -13.240 -7.644 -5.531) 16.258 3.559 ( -0.678 -0.391 1.768) 1.933 3.882 ( 3.882 2.241 -1.236) 4.650 4.854 ( -0.686 -0.396 0.434) 0.903 5.569 ( -4.007 -2.313 5.647) 7.300 7.578 ( -1.642 -0.948 -0.261) 1.914 7.961 ( 7.733 4.465 1.197) 9.010 12.094 ( 1.273 0.735 -1.259) 1.936======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( -4.027 -2.325 3.292) 5.698 2.908 ( -12.240 -7.067 9.021) 16.767 2.920 ( -6.189 -3.573 -4.961) 8.700 3.096 ( 0.046 0.026 1.015) 1.016 3.172 ( -5.626 -3.248 -14.856) 16.214 3.540 ( -1.446 -0.835 1.894) 2.524 3.942 ( 1.428 0.825 -3.423) 3.800 4.834 ( -1.286 -0.742 1.509) 2.117 5.415 ( -10.083 -5.821 4.362) 12.433 7.507 ( -4.207 -2.429 -0.123) 4.860 8.311 ( 21.585 12.462 0.860) 24.939 12.111 ( 0.515 0.297 -1.183) 1.324======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.910 ( -0.000 15.254 18.410) 23.908 1.026 ( -0.000 15.371 18.844) 24.318 1.589 ( -0.000 14.062 33.516) 36.346 2.187 ( 0.000 -0.472 -10.745) 10.755 2.423 ( 0.000 14.769 -12.836) 19.568 3.276 ( -0.000 1.556 0.944) 1.820 3.278 ( -0.000 2.044 1.710) 2.665 3.847 ( 0.000 -8.231 -9.540) 12.600 5.897 ( -0.000 -10.850 1.329) 10.931 7.310 ( -0.000 -1.255 0.987) 1.597 8.667 ( 0.000 87.043 -32.605) 92.949 12.614 ( -0.000 -28.641 4.037) 28.924======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 0.886 18.959 13.165) 23.099 1.240 ( -0.351 11.708 21.781) 24.731 2.013 ( 18.031 18.018 19.022) 31.806 2.235 ( 8.403 0.184 -9.357) 12.578 2.543 ( 1.964 14.236 -14.121) 20.148 3.284 ( 0.558 0.179 -2.328) 2.401 3.314 ( 0.807 3.298 1.063) 3.558 3.847 ( 5.067 6.002 -3.459) 8.583 5.745 ( -5.127 -9.458 -1.238) 10.829 7.291 ( -0.945 -0.940 0.853) 1.583 9.697 ( 36.810 50.271 -27.217) 67.992 12.118 ( -22.599 -27.994 2.099) 36.039======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 4.070 13.335 9.703) 16.986 1.423 ( 2.004 16.844 15.272) 22.825 2.374 ( 11.182 2.023 -9.497) 14.809 2.577 ( 17.620 13.222 14.493) 26.370 2.689 ( 6.955 11.734 -16.396) 21.328 3.335 ( 5.166 4.666 -4.510) 8.295 3.380 ( 1.249 5.811 1.580) 6.150 4.066 ( 10.256 9.559 1.127) 14.065 5.540 ( -7.252 -8.930 -2.106) 11.695 7.278 ( -0.469 1.015 0.682) 1.310 10.527 ( 24.287 11.449 -3.358) 27.060 11.428 ( -25.412 -14.280 -11.181) 31.220======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( 7.031 12.128 6.449) 15.431 1.711 ( 5.559 17.113 7.305) 19.419 2.565 ( 9.798 5.189 -6.972) 13.097 2.788 ( 4.959 4.776 -7.927) 10.499 3.039 ( 15.123 7.189 3.236) 17.054 3.456 ( 2.227 5.726 -0.824) 6.198 3.565 ( 10.027 12.556 -1.878) 16.177 4.358 ( 12.145 8.370 3.020) 15.056 5.326 ( -6.840 -7.255 -1.830) 10.137 7.310 ( 0.949 4.515 0.512) 4.642 10.321 ( -29.691 -27.160 11.050) 41.729 11.364 ( 15.162 11.886 -18.087) 26.426======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 11.652 12.802 2.628) 17.509 1.971 ( 4.764 13.862 3.464) 15.062 2.761 ( 7.713 7.472 -5.472) 12.053 2.878 ( 4.778 1.503 -6.131) 7.917 3.314 ( 10.468 3.398 2.878) 11.375 3.547 ( 1.235 7.237 -0.327) 7.349 3.836 ( 7.371 9.018 -3.286) 12.102 4.643 ( 10.725 5.573 3.425) 12.563 5.190 ( -1.068 -2.935 -0.431) 3.153 7.403 ( 2.063 8.638 0.378) 8.889 9.511 ( -35.194 -23.306 4.385) 42.438 11.658 ( 13.615 2.825 -7.614) 15.853======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.158 ( 2.740 10.089 3.143) 10.916 2.264 ( 13.858 12.469 -1.970) 18.746 2.931 ( 4.844 7.308 -4.958) 10.073 2.951 ( 4.525 0.548 -2.426) 5.163 3.488 ( 5.990 1.416 2.064) 6.492 3.643 ( 1.670 7.711 -0.686) 7.919 3.936 ( -0.938 2.506 -3.677) 4.547 4.805 ( 3.272 1.708 1.537) 3.998 5.271 ( 9.462 1.867 2.949) 10.086 7.541 ( 1.428 12.100 0.268) 12.187 8.740 ( -31.155 -17.296 1.946) 35.688 11.839 ( 10.036 -3.038 -3.484) 11.049======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.278 ( 0.427 7.370 1.798) 7.599 2.596 ( 12.630 9.450 -4.487) 16.400 3.010 ( 3.561 -0.075 -0.675) 3.625 3.053 ( 1.792 6.145 -2.828) 6.998 3.560 ( 1.059 0.448 0.694) 1.343 3.750 ( 2.931 6.045 -1.024) 6.795 3.856 ( -7.662 -0.336 -2.558) 8.084 4.848 ( 0.895 0.579 0.322) 1.113 5.471 ( 8.954 0.136 5.113) 10.312 7.678 ( -1.155 14.646 0.138) 14.692 8.157 ( -20.573 -10.008 1.134) 22.907 11.935 ( 7.913 -6.240 -1.953) 10.265======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.330 ( -1.918 4.700 1.550) 5.307 2.833 ( 8.470 4.683 -6.977) 11.931 3.060 ( 1.731 0.015 1.963) 2.617 3.097 ( -1.552 4.318 -2.232) 5.102 3.519 ( -5.025 -4.980 -2.171) 7.400 3.696 ( -9.379 2.630 0.512) 9.754 3.850 ( 2.601 5.121 -1.750) 6.004 4.857 ( -0.068 -0.382 0.249) 0.461 5.569 ( 2.312 -4.036 5.685) 7.345 7.774 ( -10.968 18.130 -0.344) 21.192 7.887 ( 1.591 -4.295 1.320) 4.766 11.985 ( 6.800 -7.666 -1.482) 10.354======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( -4.378 1.678 2.151) 5.158 2.927 ( 1.948 -0.534 -6.889) 7.179 3.039 ( -6.108 1.474 1.617) 6.488 3.105 ( -0.083 0.352 1.826) 1.862 3.265 ( -13.389 -6.291 -6.096) 16.000 3.623 ( -5.076 4.181 1.336) 6.710 3.925 ( 1.481 3.942 -2.798) 5.056 4.843 ( -0.654 -1.127 0.930) 1.601 5.499 ( -5.397 -7.772 4.931) 10.670 7.671 ( -11.297 6.979 0.183) 13.280 8.116 ( 14.921 12.795 0.812) 19.672 12.013 ( 6.003 -7.906 -1.546) 10.047======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( -0.000 17.194 13.554) 21.894 1.461 ( -0.000 17.763 14.679) 23.043 2.118 ( -0.000 21.683 20.228) 29.653 2.128 ( 0.000 1.461 -11.592) 11.684 2.624 ( 0.000 12.883 -14.988) 19.764 3.274 ( 0.000 0.954 -3.314) 3.449 3.340 ( -0.000 3.236 1.246) 3.467 3.880 ( 0.000 12.392 -2.127) 12.574 5.678 ( 0.000 -11.438 -1.455) 11.530 7.287 ( -0.000 -1.322 0.667) 1.481 9.828 ( 0.000 45.839 -16.431) 48.695 12.021 ( 0.000 -28.755 -3.479) 28.965======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -0.901 16.048 8.713) 18.283 1.665 ( -1.656 18.707 14.793) 23.906 2.184 ( 8.594 3.586 -11.699) 14.952 2.506 ( 12.052 18.554 13.837) 26.095 2.693 ( 0.933 8.939 -15.393) 17.824 3.312 ( 2.190 6.432 -3.720) 7.746 3.407 ( 2.903 5.221 1.314) 6.117 4.059 ( 4.395 14.781 0.661) 15.435 5.526 ( -3.587 -11.211 -1.826) 11.912 7.286 ( 0.683 0.316 0.564) 0.941 10.285 ( 15.503 13.760 -0.057) 20.729 11.611 ( -15.575 -15.437 -12.867) 25.426======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( 0.740 14.454 4.791) 15.246 1.884 ( 0.256 19.368 10.437) 22.002 2.395 ( 13.007 6.212 -8.869) 16.924 2.745 ( 2.367 5.012 -12.491) 13.665 2.908 ( 12.284 11.647 8.367) 18.883 3.431 ( 4.193 6.483 -3.384) 8.429 3.578 ( 6.634 12.895 0.976) 14.534 4.298 ( 6.723 12.526 2.131) 14.375 5.340 ( -5.004 -9.416 -1.727) 10.802 7.334 ( 2.239 4.421 0.630) 4.996 10.372 ( -4.786 -28.825 12.937) 31.956 11.330 ( -3.884 12.678 -20.099) 24.079======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 5.826 14.821 2.458) 16.113 2.098 ( 0.826 16.390 5.879) 17.432 2.664 ( 11.410 8.792 -5.504) 15.420 2.802 ( 3.552 3.115 -9.384) 10.506 3.204 ( 9.491 6.823 5.605) 12.963 3.549 ( 4.117 4.858 -2.526) 6.851 3.843 ( 6.170 14.335 -0.819) 15.628 4.542 ( 8.664 8.362 2.935) 12.393 5.183 ( -3.160 -5.695 -1.139) 6.612 7.457 ( 3.534 9.939 0.775) 10.577 9.800 ( -24.634 -29.500 5.385) 38.808 11.464 ( 8.289 5.934 -9.231) 13.753======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 9.500 13.984 1.640) 16.985 2.268 ( 0.386 13.234 2.355) 13.448 2.860 ( 4.966 0.658 -3.786) 6.280 2.916 ( 6.440 11.190 -5.485) 14.028 3.411 ( 6.794 4.200 3.394) 8.679 3.651 ( 3.605 3.473 -2.101) 5.428 4.010 ( -0.752 10.302 -2.205) 10.562 4.754 ( 6.502 4.098 2.625) 8.121 5.151 ( 4.619 -1.348 0.658) 4.857 7.641 ( 3.149 13.795 0.966) 14.182 9.098 ( -28.625 -18.798 1.326) 34.271 11.604 ( 9.519 -4.874 -3.699) 11.316======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.383 ( -1.002 10.137 2.205) 10.422 2.494 ( 10.096 11.508 -1.836) 15.419 2.933 ( 4.475 -0.008 -1.346) 4.673 3.091 ( 2.583 10.371 -3.137) 11.139 3.536 ( 3.148 2.017 0.934) 3.853 3.723 ( 3.145 0.299 -1.507) 3.500 4.030 ( -6.683 10.016 -2.168) 12.234 4.843 ( 1.023 1.584 0.622) 1.986 5.299 ( 11.071 -1.536 3.672) 11.765 7.804 ( 0.831 8.636 1.206) 8.759 8.523 ( -25.541 -0.061 -0.220) 25.542 11.677 ( 9.923 -11.777 -1.742) 15.499======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.442 ( -2.984 7.564 1.292) 8.233 2.730 ( 7.613 6.757 -5.077) 11.375 3.007 ( 4.145 -0.254 2.227) 4.712 3.186 ( -1.453 8.449 -2.139) 8.836 3.549 ( -2.548 -1.018 -1.945) 3.363 3.749 ( 1.402 -2.672 0.163) 3.022 4.006 ( -8.116 13.552 -1.732) 15.891 4.855 ( -0.188 -0.029 -0.020) 0.191 5.451 ( 7.793 -5.225 4.923) 10.596 7.808 ( 0.290 -7.373 1.102) 7.461 8.281 ( -19.316 26.871 -0.459) 33.096 11.713 ( 10.714 -15.164 -1.269) 18.610======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.435 ( -5.318 4.408 1.355) 7.039 2.854 ( 4.048 2.333 -7.851) 9.136 3.076 ( 2.664 -0.374 4.399) 5.156 3.190 ( -5.651 5.009 -1.057) 7.625 3.411 ( -9.856 -2.575 -3.040) 10.631 3.727 ( -1.905 -0.615 0.541) 2.074 4.018 ( -5.375 12.655 -1.894) 13.879 4.843 ( -0.483 -1.279 0.438) 1.436 5.471 ( 0.774 -8.842 4.590) 9.992 7.780 ( 3.639 -5.115 1.210) 6.393 8.292 ( -12.994 30.580 -0.499) 33.230 11.744 ( 11.175 -15.333 -1.410) 19.026======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( -0.000 16.563 5.484) 17.447 1.894 ( -0.000 17.696 11.504) 21.107 2.105 ( 0.000 3.383 -11.269) 11.766 2.641 ( -0.000 20.403 9.416) 22.471 2.713 ( 0.000 5.409 -11.974) 13.139 3.374 ( 0.000 11.307 -2.587) 11.599 3.416 ( -0.000 3.753 0.661) 3.811 4.197 ( 0.000 18.292 1.303) 18.338 5.437 ( 0.000 -11.516 -1.539) 11.618 7.278 ( -0.000 0.436 0.227) 0.491 10.235 ( -0.000 -5.576 9.810) 11.284 11.590 ( 0.000 -3.089 -18.700) 18.953======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( -2.691 14.821 -0.411) 15.069 2.094 ( -0.204 14.596 10.767) 18.138 2.225 ( 11.103 9.051 -10.018) 17.480 2.724 ( 0.987 4.594 -12.374) 13.236 2.914 ( 5.690 14.672 10.494) 18.915 3.450 ( 0.706 6.582 -1.574) 6.804 3.568 ( 7.155 11.286 -0.112) 13.364 4.394 ( 1.042 17.610 1.493) 17.704 5.304 ( -2.399 -9.569 -1.226) 9.941 7.320 ( 3.317 3.114 0.216) 4.555 10.121 ( 1.548 -30.825 12.670) 33.363 11.508 ( -6.673 12.156 -17.957) 22.688======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 1.665 14.267 -1.306) 14.423 2.252 ( 0.964 11.824 4.001) 12.519 2.532 ( 12.943 12.178 -4.330) 18.291 2.763 ( 2.081 4.650 -8.468) 9.883 3.167 ( 6.425 9.625 7.621) 13.856 3.533 ( 2.383 5.308 -1.807) 6.093 3.832 ( 9.691 10.802 -0.007) 14.512 4.574 ( 1.265 13.703 1.362) 13.828 5.177 ( -2.900 -5.329 -0.886) 6.131 7.463 ( 6.594 8.236 0.509) 10.563 9.755 ( -7.264 -36.598 6.970) 37.957 11.492 ( -4.447 10.830 -10.116) 15.472======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 6.203 13.994 0.305) 15.310 2.386 ( 1.101 10.269 0.818) 10.360 2.787 ( 4.704 3.983 -2.207) 6.546 2.888 ( 8.377 12.357 -5.650) 15.962 3.368 ( 5.545 6.154 5.028) 9.690 3.614 ( 2.585 2.889 -1.623) 4.203 4.073 ( 6.246 8.936 -0.800) 10.931 4.725 ( 3.357 8.308 1.845) 9.148 5.107 ( -1.034 -1.002 -0.584) 1.554 7.690 ( 6.606 11.832 0.964) 13.586 9.262 ( -13.551 -25.809 1.909) 29.212 11.479 ( -1.169 -0.051 -4.170) 4.331======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( 7.444 11.286 1.784) 13.637 2.496 ( 0.538 9.427 -1.213) 9.520 2.867 ( 3.295 2.022 -1.532) 4.158 3.132 ( 5.466 12.499 -2.675) 13.901 3.507 ( 3.756 3.541 2.331) 5.664 3.661 ( 2.299 -0.839 -1.489) 2.864 4.210 ( -0.694 10.724 -1.382) 10.835 4.851 ( 2.048 4.468 1.371) 5.102 5.129 ( 5.542 -1.753 1.027) 5.902 7.846 ( 0.235 2.052 1.296) 2.439 8.894 ( -12.547 1.821 -0.440) 12.686 11.425 ( 2.691 -11.437 -1.531) 11.849======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.564 ( -1.614 7.218 0.457) 7.411 2.677 ( 5.908 7.882 -2.294) 10.113 2.943 ( 3.966 1.056 1.326) 4.313 3.289 ( 0.158 10.365 -1.248) 10.441 3.571 ( -0.084 1.593 -0.791) 1.781 3.678 ( 2.846 -2.995 -0.769) 4.203 4.273 ( -5.653 14.413 -0.975) 15.512 4.875 ( -1.909 1.541 -0.482) 2.501 5.247 ( 10.107 -6.026 3.522) 12.283 7.744 ( -3.488 -11.170 0.796) 11.729 8.870 ( -12.752 30.755 -0.503) 33.298 11.354 ( 8.313 -20.067 -0.809) 21.736======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.575 ( -4.627 5.191 0.743) 6.994 2.798 ( 3.354 3.559 -5.651) 7.473 3.028 ( 3.909 0.168 3.473) 5.231 3.331 ( -4.489 5.760 0.436) 7.316 3.530 ( -5.391 1.737 -2.693) 6.271 3.697 ( 2.287 -2.622 -0.498) 3.515 4.297 ( -8.868 15.823 -0.565) 18.148 4.843 ( -1.332 -1.151 -0.346) 1.794 5.329 ( 6.395 -9.474 3.701) 12.014 7.634 ( 3.586 -8.459 0.651) 9.211 8.934 ( -20.002 35.811 -0.371) 41.020 11.332 ( 14.298 -22.122 -0.926) 26.357======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.052 ( 0.000 15.065 -6.255) 16.311 2.122 ( 0.000 4.372 -8.247) 9.334 2.292 ( -0.000 16.302 7.500) 17.944 2.733 ( 0.000 5.014 -7.065) 8.664 3.045 ( -0.000 13.881 9.452) 16.793 3.492 ( 0.000 3.496 0.080) 3.496 3.622 ( 0.000 12.730 -1.096) 12.777 4.574 ( 0.000 17.940 0.635) 17.951 5.237 ( 0.000 -6.663 -0.605) 6.691 7.314 ( 0.000 3.171 -0.099) 3.173 9.810 ( -0.000 -36.899 10.732) 38.428 11.647 ( 0.000 13.529 -13.873) 19.378======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( -0.806 10.909 -6.362) 12.655 2.269 ( 6.655 7.687 -7.527) 12.650 2.509 ( 5.287 15.237 4.301) 16.692 2.778 ( 0.415 6.112 -3.007) 6.824 3.218 ( 2.470 10.585 8.133) 13.576 3.546 ( 1.972 4.097 -0.504) 4.575 3.779 ( 5.756 8.247 0.035) 10.057 4.722 ( -1.073 12.830 -0.340) 12.879 5.185 ( -1.835 0.223 -0.233) 1.863 7.412 ( 6.683 5.987 -0.012) 8.972 9.452 ( -0.816 -39.159 6.636) 39.725 11.685 ( -6.159 11.434 -8.472) 15.506======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( 4.711 11.263 -2.267) 12.418 2.415 ( 4.514 6.899 -5.248) 9.773 2.769 ( 5.583 10.284 0.826) 11.731 2.863 ( 4.563 9.135 -2.033) 10.412 3.377 ( 3.042 7.109 6.150) 9.880 3.618 ( 1.204 3.928 -0.253) 4.116 3.975 ( 10.210 3.676 0.356) 10.857 4.795 ( -0.665 6.466 -0.258) 6.505 5.173 ( -3.912 6.529 -0.700) 7.644 7.651 ( 10.542 9.807 0.329) 14.402 9.076 ( -0.947 -33.748 2.705) 33.869 11.609 ( -10.140 5.431 -4.017) 12.184======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.445 ( 7.024 9.529 1.229) 11.902 2.535 ( 3.294 6.692 -3.417) 8.204 2.865 ( 0.563 5.222 -1.259) 5.401 3.116 ( 9.394 11.148 -1.148) 14.623 3.496 ( 2.817 3.891 3.619) 6.014 3.646 ( -0.823 1.129 -0.009) 1.397 4.197 ( 10.512 4.512 -0.014) 11.440 4.853 ( 2.315 2.946 0.968) 3.870 5.153 ( -5.692 6.111 -1.415) 8.470 7.852 ( 1.460 1.374 0.687) 2.119 8.887 ( 8.389 -10.094 0.263) 13.128 11.423 ( -11.583 -3.433 -1.415) 12.163======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( 2.993 4.720 0.410) 5.604 2.661 ( 4.508 7.598 -0.707) 8.863 2.919 ( 1.254 3.469 -0.561) 3.731 3.348 ( 5.399 9.476 -0.704) 10.929 3.575 ( 2.098 2.110 1.398) 3.287 3.622 ( -0.926 -1.880 -0.516) 2.159 4.406 ( 5.535 9.374 -0.381) 10.893 4.929 ( 2.115 1.534 1.031) 2.809 5.096 ( -2.474 -1.068 -0.453) 2.733 7.720 ( -6.689 -11.455 0.346) 13.270 9.167 ( 12.465 21.429 -0.181) 24.791 11.148 ( -8.734 -15.203 -0.374) 17.537======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.681 ( -1.097 4.746 0.454) 4.892 2.770 ( 2.355 2.981 -2.486) 4.540 2.981 ( 2.895 1.407 1.634) 3.610 3.455 ( -2.427 5.706 1.073) 6.293 3.594 ( 0.145 -0.067 -2.359) 2.365 3.626 ( 1.914 0.148 0.184) 1.928 4.559 ( -1.683 14.179 0.198) 14.280 4.891 ( -6.420 0.660 -1.869) 6.719 5.105 ( 8.451 -10.044 2.763) 13.414 7.529 ( -1.751 -8.919 0.186) 9.091 9.559 ( -5.279 36.829 -0.132) 37.205 10.877 ( 5.063 -27.603 -0.321) 28.065======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.172 ( 0.000 4.896 -6.014) 7.755 2.261 ( 0.000 12.510 -12.014) 17.345 2.623 ( -0.000 12.839 5.568) 13.994 2.842 ( 0.000 7.364 0.550) 7.385 3.324 ( -0.000 9.394 7.967) 12.318 3.551 ( 0.000 2.553 -0.453) 2.592 3.806 ( -0.000 5.449 0.631) 5.485 4.819 ( 0.000 5.257 -1.256) 5.405 5.254 ( 0.000 9.860 -0.340) 9.866 7.398 ( 0.000 5.125 -0.157) 5.128 9.089 ( -0.000 -38.253 4.584) 38.527 11.827 ( 0.000 9.627 -5.566) 11.121======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( 4.026 6.292 -3.311) 8.171 2.384 ( 4.029 9.775 -9.060) 13.923 2.796 ( 4.553 11.070 3.595) 12.498 2.911 ( -0.452 7.130 0.307) 7.151 3.435 ( 0.534 6.637 6.602) 9.376 3.615 ( 3.839 3.394 0.282) 5.131 3.869 ( 3.819 0.708 0.922) 3.992 4.841 ( -0.409 1.771 -0.967) 2.059 5.342 ( -3.541 12.991 -1.528) 13.551 7.546 ( 10.303 7.127 -0.054) 12.528 8.737 ( 0.260 -34.446 2.197) 34.517 11.828 ( -7.875 6.496 -2.768) 10.577======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.399 ( 7.430 5.362 -0.171) 9.165 2.523 ( 4.102 8.218 -4.093) 10.055 2.932 ( -1.150 6.981 -1.252) 7.185 3.048 ( 8.715 7.980 1.222) 11.879 3.509 ( 0.971 2.638 4.128) 4.994 3.692 ( -0.795 3.338 1.400) 3.706 4.003 ( 12.493 -0.485 0.731) 12.524 4.850 ( 0.322 0.896 -0.185) 0.970 5.360 ( -7.478 10.520 -2.599) 13.166 7.815 ( 7.525 5.250 0.005) 9.176 8.515 ( 12.237 -22.041 0.622) 25.218 11.668 ( -15.202 2.317 -0.828) 15.400======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.565 ( 6.803 2.592 0.133) 7.281 2.662 ( 3.736 6.953 0.891) 7.943 2.961 ( -1.291 5.085 -2.416) 5.776 3.283 ( 9.526 5.715 -0.004) 11.109 3.555 ( 1.948 -0.104 2.740) 3.363 3.671 ( -3.745 1.284 0.707) 4.021 4.267 ( 15.658 2.457 0.454) 15.856 4.869 ( 1.788 -1.028 0.838) 2.226 5.277 ( -10.710 6.239 -3.028) 12.759 7.748 ( -8.082 -8.629 -0.180) 11.824 8.867 ( 33.105 4.408 0.209) 33.398 11.349 ( -21.453 -2.999 0.125) 21.661======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( 0.000 4.227 -3.561) 5.527 2.438 ( 0.000 11.513 -5.602) 12.803 2.861 ( -0.000 8.136 3.973) 9.054 2.989 ( 0.000 6.589 -0.219) 6.593 3.525 ( -0.000 6.084 7.472) 9.635 3.585 ( 0.000 1.261 -0.932) 1.568 3.845 ( -0.000 -1.620 1.201) 2.017 4.852 ( 0.000 0.864 -0.867) 1.224 5.500 ( 0.000 12.665 -2.846) 12.981 7.500 ( 0.000 4.797 0.019) 4.797 8.425 ( -0.000 -29.056 0.854) 29.068 11.952 ( 0.000 5.297 -1.175) 5.426======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 5.660 3.248 -2.080) 6.849 2.556 ( 1.826 10.372 -0.512) 10.543 2.984 ( 4.606 6.087 2.215) 7.948 3.032 ( -0.899 5.008 -1.014) 5.188 3.540 ( -1.519 0.572 3.390) 3.758 3.706 ( 6.484 4.856 2.695) 8.537 3.831 ( 2.685 -4.591 0.399) 5.333 4.856 ( -0.169 0.685 -0.527) 0.881 5.558 ( -4.736 8.939 -3.879) 10.835 7.679 ( 13.961 6.159 0.020) 15.259 8.169 ( 0.743 -22.395 -0.095) 22.407 11.915 ( -9.281 3.418 0.113) 9.891======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.453 ( 7.653 1.152 -1.128) 7.821 2.689 ( 2.192 7.808 3.826) 8.967 3.033 ( -2.095 4.572 -3.151) 5.935 3.169 ( 8.763 3.280 1.554) 9.485 3.526 ( 0.396 -3.204 3.043) 4.437 3.747 ( -3.092 0.707 0.619) 3.232 3.993 ( 16.232 -0.350 1.143) 16.276 4.855 ( -0.190 -0.148 -0.089) 0.257 5.493 ( -8.788 4.350 -4.230) 10.679 7.816 ( -6.617 -3.393 -0.689) 7.468 8.278 ( 32.854 -3.261 0.302) 33.017 11.703 ( -18.379 1.524 0.807) 18.459======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( 0.000 2.482 -1.940) 3.150 2.654 ( -0.000 10.689 3.680) 11.304 2.988 ( -0.000 2.526 3.194) 4.072 3.084 ( 0.000 3.782 -2.209) 4.380 3.591 ( 0.000 0.111 -1.354) 1.359 3.617 ( -0.000 -3.893 5.930) 7.093 3.803 ( -0.000 -0.290 0.551) 0.623 4.863 ( 0.000 0.474 -0.532) 0.713 5.656 ( 0.000 4.775 -4.886) 6.831 7.572 ( -0.000 2.027 0.232) 2.040 8.009 ( 0.000 -11.786 -0.938) 11.823 12.030 ( -0.000 2.818 0.962) 2.978======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.345 ( 4.937 0.676 -1.579) 5.227 2.768 ( -0.099 8.396 6.849) 10.836 3.063 ( 5.519 0.726 1.895) 5.880 3.095 ( -1.011 2.510 -2.310) 3.558 3.497 ( -2.159 -7.693 2.509) 8.375 3.703 ( 8.188 -5.540 -1.075) 9.944 3.830 ( 2.121 4.564 2.445) 5.596 4.860 ( -0.384 -0.133 -0.453) 0.609 5.620 ( -4.874 -0.049 -5.193) 7.122 7.771 ( 21.158 -0.341 0.323) 21.163 7.899 ( -4.629 -0.814 -1.236) 4.860 11.972 ( -9.966 1.972 1.418) 10.257======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.299 ( 0.000 -0.310 -1.774) 1.801 2.883 ( -0.000 7.934 8.098) 11.337 3.001 ( -0.000 -3.170 3.518) 4.736 3.116 ( 0.000 1.047 -3.342) 3.502 3.417 ( -0.000 -16.434 2.926) 16.693 3.575 ( 0.000 -0.737 -1.701) 1.853 3.866 ( -0.000 3.728 2.167) 4.312 4.859 ( 0.000 -0.535 -0.658) 0.848 5.621 ( 0.000 -4.934 -5.503) 7.391 7.575 ( -0.000 -1.859 0.285) 1.880 7.973 ( 0.000 8.847 -1.469) 8.968 12.081 ( -0.000 1.518 1.698) 2.278======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.865 ( -0.000 0.000 21.385) 21.385 0.865 ( -0.000 0.000 21.385) 21.385 1.580 ( -0.000 0.000 41.189) 41.189 2.186 ( 0.000 -0.000 -10.433) 10.433 2.186 ( 0.000 -0.000 -10.433) 10.433 3.259 ( -0.000 0.000 1.782) 1.782 3.259 ( -0.000 0.000 1.782) 1.782 3.979 ( 0.000 -0.000 -25.441) 25.441 6.134 ( -0.000 0.000 5.461) 5.461 7.326 ( -0.000 0.000 1.068) 1.068 7.326 ( -0.000 0.000 1.068) 1.068 12.951 ( -0.000 0.000 0.448) 0.448======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( 4.861 2.807 19.481) 20.273 1.155 ( 9.027 5.212 23.035) 25.283 1.819 ( 12.886 7.440 27.282) 31.076 2.231 ( 4.323 2.496 -10.019) 11.194 2.248 ( 8.641 4.989 -11.736) 15.404 3.273 ( 1.047 0.605 1.801) 2.170 3.285 ( 0.229 0.132 -0.737) 0.783 3.791 ( -1.860 -1.074 -13.439) 13.610 5.909 ( -10.746 -6.204 1.880) 12.550 7.312 ( -1.332 -0.769 0.979) 1.823 8.536 ( 74.605 43.073 -23.255) 89.230 12.611 ( -27.437 -15.841 3.533) 31.878======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( 11.034 6.371 14.824) 19.547 1.338 ( 2.461 1.421 22.446) 22.625 2.315 ( 23.646 13.652 2.684) 27.435 2.322 ( 6.201 3.580 -9.421) 11.833 2.451 ( 10.922 6.306 -2.650) 12.887 3.272 ( 1.499 0.865 -6.234) 6.469 3.315 ( 2.138 1.235 1.820) 3.067 3.905 ( 11.253 6.497 -2.371) 13.208 5.682 ( -9.783 -5.648 -1.367) 11.379 7.281 ( -1.335 -0.771 0.759) 1.719 9.965 ( 53.954 31.150 -20.991) 65.742 11.852 ( -37.648 -21.736 2.597) 43.549======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 6.135 3.542 13.532) 15.274 1.483 ( 12.433 7.178 10.485) 17.777 2.455 ( 7.799 4.503 -8.521) 12.398 2.647 ( 10.128 5.847 -11.317) 16.274 2.867 ( 19.115 11.036 6.591) 23.036 3.375 ( 9.828 5.674 -5.527) 12.623 3.378 ( 2.779 1.605 1.911) 3.735 4.201 ( 13.833 7.987 1.669) 16.060 5.451 ( -9.679 -5.588 -1.960) 11.346 7.268 ( 0.323 0.186 0.493) 0.618 10.773 ( -4.460 -2.575 13.572) 14.516 11.078 ( -3.226 -1.862 -23.350) 23.645======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 11.958 6.904 6.526) 15.272 1.779 ( 10.874 6.278 6.934) 14.344 2.621 ( 8.647 4.992 -7.242) 12.335 2.807 ( 6.506 3.756 -6.934) 10.223 3.224 ( 11.997 6.926 0.607) 13.866 3.449 ( 2.818 1.627 2.023) 3.831 3.655 ( 13.499 7.794 -3.748) 16.031 4.522 ( 13.086 7.555 3.185) 15.442 5.255 ( -6.169 -3.562 -1.307) 7.243 7.306 ( 2.863 1.653 0.252) 3.315 9.992 ( -39.942 -23.061 4.831) 46.374 11.492 ( 18.828 10.870 -9.132) 23.581======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 8.105 4.680 4.262) 10.284 2.048 ( 15.276 8.820 2.198) 17.776 2.795 ( 8.055 4.650 -5.724) 10.921 2.914 ( 4.558 2.632 -3.935) 6.572 3.458 ( 8.890 5.133 -1.321) 10.350 3.514 ( 2.189 1.264 2.018) 3.234 3.872 ( 5.546 3.202 -3.957) 7.528 4.765 ( 6.001 3.465 2.498) 7.366 5.226 ( 4.889 2.822 1.382) 5.811 7.395 ( 4.650 2.685 0.042) 5.370 9.129 ( -35.635 -20.574 2.140) 41.204 11.798 ( 10.212 5.896 -3.802) 12.389======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( 5.218 3.013 2.570) 6.550 2.402 ( 14.957 8.636 -1.527) 17.339 2.940 ( 5.759 3.325 -4.325) 7.932 2.998 ( 3.478 2.008 -1.080) 4.159 3.558 ( 1.114 0.643 1.864) 2.265 3.624 ( 6.196 3.577 -3.080) 7.789 3.885 ( -2.759 -1.593 -3.037) 4.401 4.836 ( 1.353 0.781 0.796) 1.754 5.429 ( 9.414 5.435 4.532) 11.777 7.502 ( 4.313 2.490 -0.149) 4.982 8.419 ( -26.006 -15.015 1.438) 30.064 11.960 ( 5.247 3.029 -1.964) 6.369======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( 2.451 1.415 1.764) 3.334 2.697 ( 11.415 6.590 -5.514) 14.288 3.019 ( 1.973 1.139 -3.464) 4.146 3.067 ( 2.499 1.443 1.551) 3.276 3.577 ( 0.080 0.046 1.703) 1.705 3.670 ( -4.717 -2.724 -5.665) 7.859 3.806 ( 0.318 0.184 0.070) 0.374 4.858 ( 0.444 0.256 0.381) 0.638 5.606 ( 3.894 2.248 5.704) 7.263 7.574 ( 1.795 1.036 -0.279) 2.091 7.998 ( -10.383 -5.995 1.372) 12.068 12.042 ( 2.643 1.526 -1.527) 3.412======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( -0.000 12.987 19.688) 23.586 1.192 ( -0.000 13.710 16.965) 21.812 1.887 ( -0.000 8.049 30.351) 31.400 2.085 ( 0.000 -0.666 -11.312) 11.331 2.310 ( 0.000 13.550 -11.192) 17.574 3.279 ( 0.000 -0.288 -0.531) 0.604 3.292 ( -0.000 1.941 1.350) 2.365 3.731 ( 0.000 -1.312 -15.097) 15.154 5.913 ( -0.000 -13.460 2.031) 13.613 7.319 ( -0.000 -1.344 0.871) 1.601 8.442 ( 0.000 79.464 -17.830) 81.439 12.641 ( -0.000 -28.222 2.006) 28.293======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( -0.356 15.890 15.154) 21.960 1.439 ( 1.687 9.329 21.294) 23.309 2.078 ( 9.298 5.110 -8.342) 13.496 2.226 ( 12.229 10.381 7.779) 17.828 2.434 ( 2.834 12.654 -6.566) 14.535 3.246 ( -0.413 -0.738 -5.778) 5.839 3.327 ( 0.797 3.386 1.360) 3.735 3.806 ( 7.271 9.669 -4.902) 13.053 5.737 ( -5.714 -10.400 -0.550) 11.879 7.298 ( -0.948 -1.033 0.740) 1.585 9.492 ( 37.547 55.507 -17.839) 69.347 12.133 ( -22.537 -31.287 1.156) 38.576======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 3.767 11.928 10.684) 16.450 1.578 ( -1.085 12.338 17.497) 21.437 2.280 ( 12.871 2.541 -10.772) 16.975 2.541 ( 7.424 11.919 -15.656) 21.031 2.703 ( 15.115 11.498 12.723) 22.859 3.285 ( 5.127 5.458 -6.194) 9.717 3.396 ( 1.523 5.985 1.648) 6.392 4.072 ( 11.367 10.703 0.187) 15.615 5.522 ( -7.427 -9.051 -1.624) 11.820 7.284 ( -0.529 0.993 0.604) 1.277 10.487 ( 32.997 25.091 -5.359) 41.798 11.353 ( -31.992 -25.313 -5.280) 41.135======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( 6.031 9.490 7.265) 13.387 1.797 ( 3.256 15.625 10.977) 19.371 2.494 ( 10.619 5.866 -8.492) 14.808 2.702 ( 6.938 4.932 -9.672) 12.884 3.077 ( 12.913 7.576 3.919) 15.476 3.441 ( 4.941 4.779 -2.256) 7.235 3.555 ( 7.559 13.351 -0.337) 15.346 4.382 ( 12.767 8.748 2.194) 15.631 5.311 ( -6.665 -7.073 -1.526) 9.838 7.314 ( 0.838 4.589 0.470) 4.688 10.405 ( -34.108 -29.139 6.458) 45.322 11.223 ( 21.065 15.165 -11.670) 28.459======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.935 ( 10.563 11.423 3.831) 16.024 2.023 ( 3.211 12.614 7.367) 14.957 2.703 ( 8.250 8.168 -7.023) 13.569 2.825 ( 6.385 1.844 -5.231) 8.458 3.332 ( 9.465 4.636 0.763) 10.567 3.542 ( 2.032 5.862 -0.612) 6.235 3.809 ( 6.364 9.404 -2.455) 11.617 4.673 ( 10.589 5.460 2.963) 12.276 5.187 ( -0.095 -2.425 -0.326) 2.449 7.407 ( 1.907 8.804 0.348) 9.015 9.538 ( -35.980 -23.800 1.502) 43.165 11.605 ( 15.217 3.705 -3.769) 16.109======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.186 ( 2.370 9.668 2.853) 10.355 2.266 ( 11.843 11.125 2.726) 16.476 2.883 ( 5.697 7.110 -5.367) 10.574 2.932 ( 5.396 1.886 -1.839) 6.005 3.498 ( 5.708 1.888 -0.099) 6.013 3.632 ( 1.630 7.138 -1.421) 7.458 3.905 ( -1.091 2.944 -2.970) 4.322 4.819 ( 2.533 1.298 1.385) 3.166 5.299 ( 10.859 2.395 2.952) 11.505 7.543 ( 1.223 12.354 0.216) 12.416 8.752 ( -31.129 -17.699 0.610) 35.814 11.816 ( 10.469 -2.735 -1.550) 10.931======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.296 ( 0.128 7.078 2.113) 7.388 2.565 ( 10.698 8.426 -2.256) 13.804 3.002 ( 3.890 3.128 -1.342) 5.169 3.032 ( 2.727 4.124 -1.266) 5.104 3.559 ( 0.994 -0.499 -0.933) 1.451 3.732 ( 1.920 7.476 -2.715) 8.182 3.838 ( -6.405 -0.438 -1.326) 6.555 4.852 ( 0.749 0.388 0.461) 0.961 5.517 ( 9.553 0.237 4.878) 10.730 7.679 ( -1.447 14.990 0.053) 15.059 8.166 ( -20.242 -10.464 0.686) 22.796 11.921 ( 7.936 -6.151 -1.134) 10.105======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( -0.000 13.545 15.743) 20.768 1.582 ( -0.000 16.580 10.961) 19.875 2.027 ( 0.000 1.521 -9.536) 9.657 2.265 ( -0.000 17.678 7.461) 19.188 2.515 ( 0.000 11.600 -4.659) 12.500 3.231 ( 0.000 1.332 -5.947) 6.094 3.349 ( -0.000 3.112 0.708) 3.191 3.858 ( 0.000 15.613 -2.313) 15.783 5.668 ( -0.000 -12.140 -0.747) 12.163 7.292 ( -0.000 -1.463 0.455) 1.532 9.709 ( 0.000 54.240 -9.520) 55.070 11.989 ( 0.000 -34.456 -3.452) 34.628======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( -1.900 12.253 8.162) 14.844 1.801 ( -0.124 16.311 14.178) 21.612 2.079 ( 8.324 4.038 -10.709) 14.152 2.507 ( 5.460 13.603 -14.062) 20.312 2.675 ( 6.522 12.119 11.935) 18.216 3.271 ( 1.939 7.742 -5.172) 9.511 3.416 ( 3.248 5.130 0.761) 6.119 4.063 ( 4.744 16.083 0.241) 16.770 5.513 ( -3.737 -11.344 -1.164) 12.000 7.290 ( 0.785 0.205 0.353) 0.885 10.296 ( 17.491 25.935 2.404) 31.374 11.501 ( -16.931 -24.852 -10.931) 31.996======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( 1.219 11.390 3.381) 11.944 1.991 ( -1.200 16.855 12.472) 21.002 2.312 ( 14.230 7.283 -9.340) 18.514 2.631 ( 4.029 6.500 -11.248) 13.601 2.986 ( 9.901 10.787 7.707) 16.546 3.398 ( 4.315 7.642 -3.595) 9.484 3.586 ( 6.476 12.245 0.724) 13.871 4.313 ( 7.148 12.859 1.258) 14.766 5.327 ( -5.055 -9.257 -1.162) 10.611 7.338 ( 2.337 4.416 0.410) 5.013 10.494 ( -7.274 -32.169 13.398) 35.599 11.152 ( -0.707 17.604 -18.025) 25.205======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( 6.262 13.157 2.370) 14.763 2.164 ( -0.111 13.769 7.979) 15.914 2.609 ( 11.827 10.947 -6.589) 17.411 2.728 ( 4.872 3.336 -6.292) 8.628 3.245 ( 8.049 7.389 3.152) 11.372 3.526 ( 4.364 5.011 -2.214) 7.003 3.837 ( 5.380 14.042 -0.449) 15.044 4.564 ( 9.215 8.339 1.998) 12.588 5.175 ( -2.937 -5.442 -0.758) 6.230 7.463 ( 3.573 10.079 0.508) 10.705 9.837 ( -26.760 -30.258 2.417) 40.466 11.398 ( 10.863 7.234 -4.737) 13.885======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 8.682 13.388 0.992) 15.988 2.308 ( 0.416 10.967 5.733) 12.382 2.823 ( 5.130 2.814 -4.196) 7.200 2.876 ( 7.544 10.953 -3.207) 13.680 3.430 ( 5.834 4.684 0.620) 7.507 3.632 ( 3.692 3.427 -1.871) 5.373 3.993 ( -1.283 10.434 -1.603) 10.634 4.775 ( 5.989 3.708 1.890) 7.293 5.158 ( 5.952 -0.963 0.851) 6.089 7.648 ( 3.115 14.105 0.591) 14.457 9.104 ( -29.070 -19.204 -0.094) 34.840 11.581 ( 10.218 -4.569 -1.172) 11.254======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.396 ( -0.375 9.762 0.669) 9.792 2.495 ( 7.833 9.854 1.828) 12.720 2.926 ( 5.577 1.131 -0.086) 5.691 3.065 ( 2.753 10.906 -2.467) 11.515 3.534 ( 2.260 1.931 -1.421) 3.295 3.708 ( 3.449 0.672 -1.790) 3.943 4.013 ( -6.714 10.382 -1.493) 12.454 4.847 ( 0.682 1.184 0.388) 1.421 5.332 ( 12.088 -1.406 3.412) 12.639 7.812 ( 0.759 9.048 0.648) 9.103 8.520 ( -25.446 -0.546 -0.451) 25.456 11.666 ( 9.937 -11.713 -0.503) 15.368======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( -0.000 11.151 3.605) 11.720 1.932 ( 0.000 13.468 -7.480) 15.406 2.066 ( -0.000 7.209 6.901) 9.980 2.552 ( 0.000 11.860 -13.406) 17.900 2.786 ( -0.000 14.194 12.901) 19.181 3.345 ( 0.000 12.628 -3.650) 13.145 3.419 ( 0.000 3.656 0.021) 3.656 4.207 ( 0.000 18.783 0.840) 18.802 5.426 ( -0.000 -11.472 -0.818) 11.502 7.280 ( -0.000 0.314 0.029) 0.316 10.342 ( -0.000 1.076 13.456) 13.499 11.417 ( 0.000 -7.515 -18.765) 20.214======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( -1.749 11.129 -3.620) 11.833 2.119 ( 9.848 6.089 -9.742) 15.131 2.209 ( 1.588 16.366 10.650) 19.591 2.630 ( 1.120 8.062 -7.565) 11.112 3.006 ( 4.605 13.060 9.103) 16.572 3.434 ( 0.092 7.930 -1.937) 8.164 3.566 ( 7.738 10.846 -0.361) 13.329 4.404 ( 1.156 17.402 0.589) 17.451 5.295 ( -2.487 -9.356 -0.553) 9.696 7.321 ( 3.468 3.042 0.007) 4.614 10.242 ( 0.452 -34.165 13.432) 36.713 11.350 ( -5.499 16.838 -16.244) 24.034======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( 3.665 12.942 -2.543) 13.689 2.272 ( 3.703 7.001 -0.734) 7.954 2.512 ( 10.777 15.403 0.821) 18.817 2.705 ( 1.490 6.435 -3.962) 7.702 3.227 ( 5.245 9.568 5.125) 12.055 3.518 ( 2.112 5.955 -1.317) 6.455 3.833 ( 9.570 10.810 0.146) 14.438 4.581 ( 1.753 13.222 0.196) 13.339 5.171 ( -2.993 -5.133 -0.371) 5.954 7.467 ( 6.807 8.244 0.165) 10.692 9.811 ( -9.336 -38.507 4.943) 39.929 11.415 ( -2.374 13.314 -6.368) 14.948======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 7.256 13.747 -0.122) 15.545 2.395 ( 2.456 7.369 0.732) 7.802 2.773 ( 3.227 3.990 -0.773) 5.190 2.851 ( 9.015 14.720 -2.159) 17.396 3.400 ( 4.416 6.462 1.907) 8.056 3.602 ( 2.276 3.413 -0.745) 4.170 4.068 ( 5.607 9.087 -0.270) 10.681 4.736 ( 4.114 7.972 0.623) 8.992 5.104 ( -0.790 -1.088 -0.209) 1.360 7.696 ( 6.821 11.951 0.334) 13.764 9.274 ( -14.692 -26.286 0.704) 30.121 11.453 ( -0.114 0.512 -1.494) 1.583======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.456 ( 5.878 12.019 -1.158) 13.429 2.507 ( 2.392 6.850 2.640) 7.721 2.860 ( 3.796 2.649 -0.061) 4.629 3.115 ( 5.426 13.224 -0.968) 14.327 3.516 ( 2.726 3.842 -0.566) 4.744 3.650 ( 1.957 -0.442 -0.879) 2.191 4.200 ( -0.997 11.026 -0.692) 11.092 4.857 ( 1.464 4.130 0.103) 4.383 5.140 ( 7.081 -1.928 1.398) 7.470 7.854 ( 0.332 2.062 0.334) 2.115 8.890 ( -12.845 1.780 -0.385) 12.973 11.417 ( 2.909 -11.368 -0.064) 11.735======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( 0.000 11.476 -9.283) 14.760 2.032 ( 0.000 6.916 -10.469) 12.547 2.376 ( -0.000 13.816 9.768) 16.920 2.692 ( 0.000 8.291 -1.691) 8.462 3.127 ( -0.000 12.797 8.053) 15.120 3.489 ( 0.000 3.442 -0.602) 3.494 3.613 ( 0.000 13.698 -0.620) 13.712 4.575 ( 0.000 17.230 -0.467) 17.236 5.234 ( -0.000 -6.394 -0.029) 6.394 7.313 ( 0.000 3.134 -0.198) 3.141 9.906 ( -0.000 -40.447 9.656) 41.583 11.532 ( 0.000 17.861 -10.917) 20.933======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( 1.057 11.696 -6.939) 13.641 2.188 ( 8.592 6.980 -9.614) 14.662 2.564 ( 3.558 13.741 7.277) 15.951 2.767 ( -0.472 7.699 0.551) 7.733 3.284 ( 1.891 10.367 5.945) 12.099 3.541 ( 1.923 4.406 -0.501) 4.833 3.782 ( 5.826 8.706 0.667) 10.497 4.714 ( -0.852 12.272 -1.402) 12.381 5.184 ( -1.959 0.168 -0.024) 1.967 7.412 ( 6.792 5.987 -0.158) 9.056 9.506 ( -1.603 -41.325 4.811) 41.635 11.621 ( -5.433 13.937 -5.277) 15.862======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( 6.228 12.622 -2.064) 14.225 2.363 ( 7.052 5.825 -5.998) 10.938 2.788 ( 3.059 8.563 3.187) 9.635 2.858 ( 4.488 10.751 0.712) 11.672 3.420 ( 2.112 7.128 2.968) 8.005 3.619 ( 1.109 4.551 0.738) 4.742 3.981 ( 9.972 3.815 0.968) 10.720 4.789 ( -0.121 6.602 -1.112) 6.696 5.166 ( -3.960 5.816 -0.852) 7.088 7.652 ( 10.718 9.814 -0.144) 14.533 9.096 ( -1.729 -34.617 1.562) 34.695 11.583 ( -9.482 6.426 -1.584) 11.563======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.114 ( 0.000 6.489 -6.326) 9.063 2.160 ( 0.000 13.391 -9.643) 16.502 2.679 ( -0.000 11.463 6.495) 13.175 2.855 ( -0.000 7.366 2.190) 7.685 3.389 ( -0.000 9.577 6.096) 11.353 3.544 ( 0.000 2.534 -1.112) 2.767 3.817 ( -0.000 5.814 1.806) 6.088 4.805 ( 0.000 5.485 -1.828) 5.781 5.248 ( 0.000 8.919 -0.863) 8.960 7.397 ( 0.000 5.182 -0.141) 5.183 9.124 ( -0.000 -39.921 2.742) 40.015 11.788 ( 0.000 11.379 -2.803) 11.719======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( 5.528 7.141 -2.850) 9.469 2.311 ( 4.349 12.205 -6.699) 14.586 2.835 ( 3.627 9.747 4.900) 11.496 2.918 ( -0.764 6.508 1.188) 6.660 3.482 ( -0.410 6.289 3.426) 7.174 3.621 ( 4.631 4.157 0.939) 6.293 3.883 ( 3.520 0.601 1.978) 4.082 4.831 ( -0.238 2.200 -1.227) 2.531 5.324 ( -3.500 11.947 -2.425) 12.683 7.545 ( 10.274 7.178 -0.144) 12.534 8.751 ( 0.121 -35.389 0.875) 35.400 11.812 ( -7.684 7.458 -0.675) 10.729======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 0.000 5.208 -3.312) 6.171 2.403 ( 0.000 14.627 -1.929) 14.753 2.900 ( -0.000 7.339 4.450) 8.582 2.990 ( -0.000 5.281 0.456) 5.300 3.574 ( 0.000 1.256 -1.483) 1.944 3.585 ( -0.000 6.515 5.526) 8.543 3.861 ( -0.000 -2.300 2.210) 3.190 4.844 ( 0.000 1.171 -0.889) 1.470 5.468 ( 0.000 11.819 -3.983) 12.472 7.501 ( 0.000 4.888 0.092) 4.889 8.427 ( -0.000 -29.755 -0.319) 29.757 11.949 ( 0.000 5.969 0.434) 5.984======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( -0.000 0.000 18.975) 18.975 1.050 ( -0.000 0.000 18.975) 18.975 1.948 ( -0.000 0.000 38.998) 38.998 2.086 ( 0.000 -0.000 -11.209) 11.209 2.086 ( 0.000 -0.000 -11.209) 11.209 3.274 ( -0.000 0.000 1.448) 1.448 3.274 ( -0.000 0.000 1.448) 1.448 3.732 ( 0.000 -0.000 -28.117) 28.117 6.179 ( -0.000 0.000 4.315) 4.315 7.336 ( -0.000 0.000 0.929) 0.929 7.336 ( -0.000 0.000 0.929) 0.929 12.955 ( -0.000 0.000 0.389) 0.389======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 3.801 2.194 18.495) 19.009 1.354 ( 12.153 7.016 20.217) 24.610 1.976 ( 2.550 1.472 0.493) 2.985 2.133 ( 4.605 2.658 -11.132) 12.337 2.230 ( 9.908 5.721 14.082) 18.144 3.265 ( -2.741 -1.582 -4.038) 5.131 3.288 ( 1.097 0.634 1.498) 1.962 3.655 ( 5.385 3.109 -15.124) 16.353 5.927 ( -12.664 -7.312 1.908) 14.747 7.320 ( -1.377 -0.795 0.841) 1.799 8.376 ( 67.851 39.174 -12.724) 79.374 12.636 ( -26.286 -15.176 2.049) 30.422======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.310 ( 9.292 5.365 15.708) 19.023 1.545 ( -0.355 -0.205 22.163) 22.167 2.211 ( 18.004 10.395 -16.502) 26.543 2.228 ( 6.638 3.833 -10.892) 13.319 2.547 ( 14.043 8.107 14.598) 21.818 3.205 ( 1.449 0.837 -8.136) 8.306 3.331 ( 2.202 1.271 1.563) 2.985 3.879 ( 13.959 8.059 -2.972) 16.390 5.672 ( -10.461 -6.040 -0.842) 12.108 7.287 ( -1.415 -0.817 0.660) 1.763 9.803 ( 56.655 32.710 -14.490) 67.005 11.877 ( -38.715 -22.352 2.751) 44.789======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 10.678 6.165 12.253) 17.383 1.610 ( 2.962 1.710 14.255) 14.660 2.369 ( 8.465 4.888 -10.156) 14.096 2.539 ( 13.106 7.567 -11.061) 18.745 2.927 ( 14.808 8.549 5.105) 17.844 3.326 ( 11.205 6.469 -4.709) 13.769 3.395 ( 2.859 1.651 1.675) 3.702 4.212 ( 14.900 8.603 0.728) 17.221 5.436 ( -9.734 -5.620 -1.453) 11.334 7.273 ( 0.236 0.136 0.461) 0.535 10.819 ( 34.382 19.851 -14.158) 42.150 10.958 ( -40.055 -23.126 7.677) 46.884======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 9.710 5.606 9.538) 14.720 1.851 ( 9.310 5.375 8.732) 13.850 2.548 ( 9.509 5.490 -8.587) 13.939 2.745 ( 7.824 4.517 -6.203) 10.959 3.220 ( 10.990 6.345 -1.777) 12.814 3.467 ( 2.871 1.657 1.743) 3.745 3.626 ( 13.385 7.728 -2.389) 15.639 4.548 ( 13.580 7.841 2.429) 15.868 5.244 ( -5.741 -3.315 -1.031) 6.709 7.308 ( 2.778 1.604 0.282) 3.220 10.012 ( -40.224 -23.223 -0.644) 46.451 11.440 ( 20.206 11.666 -2.076) 23.424======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.059 ( 6.937 4.005 5.588) 9.766 2.087 ( 13.259 7.655 6.198) 16.518 2.739 ( 8.893 5.134 -6.431) 12.116 2.880 ( 5.638 3.255 -3.346) 7.320 3.435 ( 8.559 4.941 -3.755) 10.572 3.531 ( 2.186 1.262 1.666) 3.025 3.840 ( 5.350 3.089 -3.006) 6.870 4.786 ( 5.251 3.032 2.222) 6.458 5.238 ( 6.440 3.718 1.240) 7.539 7.395 ( 4.562 2.634 0.100) 5.269 9.138 ( -35.478 -20.483 -0.325) 40.967 11.777 ( 10.538 6.084 -0.544) 12.181======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( -0.000 12.645 19.384) 23.144 1.329 ( -0.000 12.005 12.536) 17.357 1.987 ( 0.000 -0.384 -9.505) 9.512 2.067 ( -0.000 4.355 0.878) 4.443 2.289 ( -0.000 9.966 14.305) 17.435 3.257 ( 0.000 -3.823 -4.926) 6.235 3.302 ( -0.000 1.804 0.832) 1.987 3.591 ( 0.000 7.718 -14.038) 16.019 5.931 ( -0.000 -15.356 1.808) 15.462 7.326 ( -0.000 -1.438 0.604) 1.560 8.322 ( 0.000 73.994 -9.045) 74.545 12.654 ( -0.000 -28.195 0.920) 28.210======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -0.926 13.581 14.546) 19.922 1.627 ( 5.100 7.272 19.486) 21.415 1.972 ( 5.914 3.403 -12.514) 14.253 2.194 ( 6.047 11.307 -12.446) 17.869 2.493 ( 7.267 9.663 14.619) 18.971 3.180 ( -0.831 -0.544 -8.234) 8.294 3.337 ( 1.081 3.217 0.953) 3.525 3.764 ( 8.965 13.208 -3.918) 16.437 5.734 ( -6.273 -11.200 -0.139) 12.838 7.304 ( -0.897 -1.139 0.501) 1.534 9.366 ( 36.775 58.063 -9.901) 69.439 12.141 ( -21.942 -33.467 0.575) 40.023======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 3.267 8.551 10.807) 14.163 1.733 ( -2.518 10.266 15.557) 18.808 2.180 ( 13.908 3.291 -10.684) 17.844 2.409 ( 8.861 12.486 -12.408) 19.708 2.802 ( 11.997 9.934 8.181) 17.594 3.229 ( 5.812 6.631 -5.443) 10.362 3.409 ( 1.795 5.937 1.226) 6.322 4.071 ( 12.215 11.783 -0.320) 16.975 5.510 ( -7.661 -9.168 -0.984) 11.988 7.289 ( -0.528 0.944 0.430) 1.164 10.433 ( 34.778 33.795 -6.234) 48.893 11.330 ( -32.706 -32.487 0.211) 46.099======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 6.158 6.697 7.617) 11.866 1.906 ( 1.384 14.467 12.349) 19.071 2.409 ( 11.208 6.567 -9.923) 16.346 2.625 ( 8.713 5.640 -6.434) 12.212 3.098 ( 10.424 7.919 0.047) 13.091 3.422 ( 7.175 4.694 -1.408) 8.689 3.557 ( 5.858 13.049 0.503) 14.312 4.398 ( 13.448 9.159 1.255) 16.319 5.299 ( -6.624 -6.943 -0.952) 9.643 7.318 ( 0.792 4.611 0.359) 4.692 10.424 ( -36.670 -27.475 -2.889) 45.912 11.167 ( 24.481 14.331 0.148) 28.368======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( 9.762 9.066 5.803) 14.531 2.100 ( 2.119 11.892 9.227) 15.200 2.635 ( 9.096 8.787 -7.788) 14.853 2.785 ( 7.260 2.756 -3.295) 8.435 3.324 ( 8.532 5.862 -2.623) 10.679 3.538 ( 2.689 4.572 -0.094) 5.305 3.791 ( 5.365 9.544 -1.479) 11.048 4.697 ( 10.692 5.391 2.275) 12.188 5.185 ( 0.693 -1.950 -0.170) 2.077 7.410 ( 1.811 8.885 0.273) 9.072 9.537 ( -35.924 -23.349 -1.858) 42.885 11.592 ( 15.640 3.494 0.889) 16.050======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( -0.000 9.116 16.300) 18.676 1.638 ( 0.000 13.973 -0.321) 13.977 1.977 ( 0.000 3.442 -0.026) 3.442 2.208 ( 0.000 15.083 -14.888) 21.193 2.578 ( -0.000 11.111 13.044) 17.135 3.168 ( 0.000 2.656 -7.265) 7.735 3.353 ( 0.000 2.965 0.097) 2.966 3.842 ( 0.000 18.056 -1.060) 18.087 5.664 ( -0.000 -12.694 -0.214) 12.696 7.295 ( -0.000 -1.581 0.165) 1.590 9.651 ( 0.000 59.752 -3.220) 59.839 11.958 ( 0.000 -38.876 -3.248) 39.011======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( -1.985 7.641 3.193) 8.516 1.895 ( 8.316 12.050 2.576) 14.866 2.017 ( 0.715 6.835 1.111) 6.962 2.382 ( 5.218 14.123 -11.099) 18.705 2.783 ( 5.893 11.982 9.926) 16.638 3.223 ( 2.129 9.231 -4.645) 10.550 3.420 ( 3.624 4.947 0.081) 6.133 4.065 ( 4.799 16.958 0.242) 17.626 5.505 ( -3.905 -11.438 -0.437) 12.094 7.292 ( 0.895 0.106 0.089) 0.906 10.328 ( 17.836 36.770 4.475) 41.112 11.413 ( -17.105 -34.213 -8.191) 39.118======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 2.818 8.310 1.370) 8.882 2.103 ( -1.760 13.474 10.898) 17.418 2.225 ( 14.789 9.588 -9.265) 19.912 2.555 ( 4.914 8.116 -4.629) 10.557 3.038 ( 7.494 10.614 3.170) 13.374 3.372 ( 4.692 8.428 -1.732) 9.801 3.590 ( 6.610 11.821 0.264) 13.546 4.321 ( 7.440 13.033 0.411) 15.013 5.320 ( -5.174 -9.138 -0.409) 10.509 7.341 ( 2.450 4.374 0.142) 5.016 10.599 ( -16.034 -38.413 7.761) 42.343 11.018 ( 8.273 24.713 -9.354) 27.689======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 7.461 11.243 2.698) 13.761 2.234 ( 0.338 10.434 6.691) 12.400 2.547 ( 11.039 13.651 -6.135) 18.597 2.693 ( 5.643 4.105 -1.244) 7.088 3.256 ( 6.646 8.230 -1.006) 10.627 3.513 ( 4.441 4.977 -0.457) 6.686 3.834 ( 4.853 13.794 -0.256) 14.625 4.578 ( 9.875 8.260 0.938) 12.909 5.170 ( -2.864 -5.252 -0.219) 5.986 7.466 ( 3.644 10.104 0.184) 10.743 9.841 ( -28.288 -29.494 -1.461) 40.893 11.381 ( 12.521 6.756 0.981) 14.261======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 0.000 5.187 -2.649) 5.825 1.826 ( 0.000 10.093 -13.145) 16.572 2.163 ( -0.000 10.614 11.830) 15.893 2.462 ( 0.000 15.006 -5.331) 15.924 2.890 ( -0.000 13.143 9.239) 16.065 3.312 ( 0.000 14.113 -3.030) 14.435 3.417 ( 0.000 3.541 -0.625) 3.596 4.213 ( 0.000 18.786 0.468) 18.792 5.422 ( -0.000 -11.432 -0.024) 11.432 7.279 ( 0.000 0.240 -0.175) 0.297 10.480 ( -0.000 8.275 16.711) 18.647 11.248 ( 0.000 -13.658 -18.068) 22.650======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 0.195 8.840 -6.433) 10.934 2.017 ( 11.534 7.293 -11.841) 18.067 2.313 ( 0.316 14.045 11.135) 17.926 2.594 ( 0.791 10.465 -0.065) 10.495 3.073 ( 3.260 12.314 5.271) 13.785 3.419 ( -0.036 8.905 -0.871) 8.948 3.562 ( 8.195 10.878 -0.580) 13.632 4.405 ( 1.205 16.925 -0.319) 16.971 5.294 ( -2.594 -9.232 0.216) 9.592 7.321 ( 3.566 2.998 -0.194) 4.663 10.357 ( -1.865 -40.023 10.852) 41.510 11.222 ( -3.241 23.215 -10.887) 25.845======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( 0.000 10.160 -10.596) 14.680 1.937 ( 0.000 8.902 -9.985) 13.377 2.465 ( -0.000 12.195 9.485) 15.449 2.700 ( -0.000 9.617 3.211) 10.139 3.188 ( -0.000 12.259 5.173) 13.306 3.481 ( 0.000 3.380 -1.236) 3.599 3.613 ( 0.000 14.784 0.616) 14.797 4.566 ( 0.000 16.431 -1.499) 16.499 5.237 ( -0.000 -6.375 0.555) 6.400 7.311 ( 0.000 3.147 -0.263) 3.158 9.980 ( -0.000 -44.178 6.122) 44.601 11.455 ( 0.000 21.679 -5.344) 22.327======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( -0.000 0.000 14.636) 14.636 1.206 ( -0.000 0.000 14.636) 14.636 1.986 ( 0.000 -0.000 -9.997) 9.997 1.986 ( 0.000 -0.000 -9.997) 9.997 2.288 ( -0.000 0.000 34.434) 34.434 3.285 ( -0.000 0.000 0.935) 0.935 3.285 ( -0.000 0.000 0.935) 0.935 3.472 ( 0.000 -0.000 -28.036) 28.036 6.211 ( -0.000 0.000 2.737) 2.737 7.343 ( -0.000 0.000 0.631) 0.631 7.343 ( -0.000 0.000 0.631) 0.631 12.958 ( -0.000 0.000 0.264) 0.264======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 3.806 2.198 15.645) 16.251 1.514 ( 16.718 9.652 13.257) 23.418 1.907 ( -2.061 -1.190 -9.070) 9.377 2.031 ( 4.443 2.565 -10.720) 11.884 2.424 ( 4.855 2.803 21.838) 22.546 3.204 ( -5.288 -3.053 -9.041) 10.910 3.300 ( 1.187 0.686 1.005) 1.700 3.537 ( 12.103 6.988 -9.574) 16.940 5.942 ( -13.880 -8.014 1.214) 16.073 7.327 ( -1.390 -0.803 0.558) 1.700 8.291 ( 63.502 36.663 -6.122) 73.581 12.650 ( -25.511 -14.729 1.136) 29.479======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 8.439 4.872 15.040) 17.921 1.727 ( -3.790 -2.188 15.623) 16.224 2.071 ( 20.387 11.771 -11.727) 26.301 2.125 ( 6.725 3.883 -11.410) 13.802 2.660 ( 11.286 6.516 8.394) 15.502 3.134 ( 2.425 1.400 -6.121) 6.731 3.343 ( 2.307 1.332 1.103) 2.883 3.855 ( 15.839 9.145 -2.276) 18.431 5.666 ( -10.977 -6.337 -0.447) 12.683 7.293 ( -1.450 -0.837 0.446) 1.733 9.699 ( 56.600 32.678 -8.353) 65.888 11.903 ( -38.177 -22.042 2.862) 44.176======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( 9.312 5.376 13.203) 17.028 1.727 ( 1.874 1.082 10.573) 10.793 2.270 ( 9.039 5.219 -11.347) 15.417 2.462 ( 14.425 8.328 -4.903) 17.363 2.944 ( 11.856 6.845 -2.017) 13.838 3.299 ( 12.525 7.232 -0.710) 14.480 3.408 ( 2.961 1.709 1.215) 3.628 4.215 ( 15.784 9.113 0.007) 18.225 5.425 ( -9.829 -5.675 -0.759) 11.375 7.276 ( 0.195 0.113 0.348) 0.415 10.646 ( 15.199 8.775 -19.318) 26.100 11.088 ( -19.891 -11.484 16.663) 28.376======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( -0.000 9.371 2.911) 9.813 1.435 ( -0.000 14.732 16.882) 22.407 1.927 ( 0.000 1.188 -2.563) 2.825 1.984 ( 0.000 3.649 -12.768) 13.279 2.477 ( -0.000 2.449 19.070) 19.226 3.185 ( 0.000 -5.680 -9.733) 11.270 3.307 ( -0.000 1.653 0.226) 1.669 3.499 ( 0.000 14.832 -5.434) 15.796 5.944 ( -0.000 -16.394 0.965) 16.422 7.330 ( -0.000 -1.522 0.233) 1.540 8.267 ( 0.000 71.213 -3.297) 71.289 12.659 ( -0.000 -28.422 0.185) 28.423======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 1.364 10.858 7.796) 13.437 1.782 ( 11.814 5.903 12.690) 18.315 1.872 ( -2.572 5.367 -7.658) 9.699 2.075 ( 6.246 10.111 -10.502) 15.860 2.609 ( 5.376 7.484 8.126) 12.286 3.112 ( -0.136 0.468 -5.126) 5.149 3.343 ( 1.460 3.000 0.338) 3.353 3.739 ( 9.388 15.371 -1.431) 18.068 5.733 ( -6.644 -11.625 -0.009) 13.389 7.307 ( -0.800 -1.238 0.177) 1.485 9.307 ( 35.413 59.478 -3.156) 69.294 12.144 ( -20.987 -34.859 0.174) 40.689======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 4.077 4.217 6.481) 8.741 1.850 ( -1.761 11.559 9.493) 15.061 2.086 ( 12.800 3.001 -9.889) 16.452 2.336 ( 10.454 13.110 -2.103) 16.899 2.837 ( 8.878 9.596 -1.094) 13.118 3.199 ( 6.974 7.209 -0.243) 10.033 3.418 ( 2.115 5.804 0.614) 6.208 4.067 ( 12.544 12.496 -0.385) 17.710 5.505 ( -7.855 -9.198 -0.285) 12.099 7.292 ( -0.467 0.885 0.186) 1.018 10.376 ( 30.597 36.278 -5.854) 47.818 11.354 ( -28.287 -34.296 4.677) 44.701======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 0.000 10.480 -11.444) 15.518 1.758 ( -0.000 0.642 9.652) 9.673 2.026 ( -0.000 6.722 9.363) 11.527 2.069 ( 0.000 19.965 -11.997) 23.292 2.675 ( -0.000 10.492 5.646) 11.915 3.116 ( 0.000 3.790 -2.733) 4.672 3.351 ( 0.000 2.810 -0.526) 2.859 3.840 ( 0.000 18.980 0.740) 18.994 5.664 ( -0.000 -12.898 0.141) 12.899 7.295 ( 0.000 -1.656 -0.154) 1.663 9.649 ( 0.000 63.347 2.589) 63.400 11.930 ( -0.000 -42.087 -3.029) 42.195======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.306 ( -0.000 0.000 6.080) 6.080 1.306 ( -0.000 0.000 6.080) 6.080 1.916 ( 0.000 -0.000 -4.537) 4.537 1.916 ( 0.000 -0.000 -4.537) 4.537 2.548 ( -0.000 0.000 18.875) 18.875 3.250 ( 0.000 -0.000 -16.763) 16.763 3.291 ( -0.000 0.000 0.322) 0.322 3.291 ( -0.000 0.000 0.322) 0.322 6.228 ( -0.000 0.000 0.935) 0.935 7.347 ( -0.000 0.000 0.223) 0.223 7.347 ( -0.000 0.000 0.223) 0.223 12.959 ( -0.000 0.000 0.093) 0.093======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.56e-04 6.10e-05 6.10e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 5.246 3.029 8.999) 10.848 1.553 ( 17.620 10.173 -6.328) 21.307 1.885 ( -2.197 -1.268 6.150) 6.652 1.948 ( 3.282 1.895 -6.674) 7.675 2.558 ( 0.627 0.362 3.938) 4.004 3.137 ( -4.221 -2.437 -2.132) 5.320 3.306 ( 1.303 0.752 0.407) 1.559 3.485 ( 14.058 8.116 -2.028) 16.359 5.948 ( -14.384 -8.305 0.148) 16.610 7.330 ( -1.369 -0.791 0.178) 1.591 8.258 ( 61.489 35.501 -1.286) 71.013 12.658 ( -24.976 -14.420 0.450) 28.844=================== 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 3/40500 10.0 627.196 627.196 1759.660 0.000 -0.000 0.000 3/40500 20.0 157.132 157.132 192.014 0.000 -0.000 0.000 3/40500 30.0 67.030 67.030 59.679 0.000 -0.000 0.000 3/40500 40.0 42.069 42.069 33.050 0.000 -0.000 0.000 3/40500 50.0 30.497 30.497 22.746 0.000 -0.000 0.000 3/40500 60.0 23.714 23.714 17.276 0.000 -0.000 0.000 3/40500 70.0 19.264 19.264 13.875 0.000 -0.000 0.000 3/40500 80.0 16.146 16.146 11.563 0.000 -0.000 0.000 3/40500 90.0 13.860 13.860 9.895 0.000 -0.000 0.000 3/40500 100.0 12.124 12.124 8.642 0.000 -0.000 0.000 3/40500 110.0 10.770 10.770 7.668 0.000 -0.000 0.000 3/40500 120.0 9.687 9.687 6.892 0.000 -0.000 0.000 3/40500 130.0 8.803 8.803 6.260 0.000 -0.000 0.000 3/40500 140.0 8.070 8.070 5.735 0.000 -0.000 0.000 3/40500 150.0 7.452 7.452 5.294 0.000 -0.000 0.000 3/40500 160.0 6.923 6.923 4.916 0.000 -0.000 0.000 3/40500 170.0 6.467 6.467 4.591 0.000 -0.000 0.000 3/40500 180.0 6.069 6.069 4.306 0.000 -0.000 0.000 3/40500 190.0 5.718 5.718 4.056 0.000 -0.000 0.000 3/40500 200.0 5.407 5.407 3.834 0.000 -0.000 0.000 3/40500 210.0 5.129 5.129 3.636 0.000 -0.000 0.000 3/40500 220.0 4.879 4.879 3.457 0.000 -0.000 0.000 3/40500 230.0 4.652 4.652 3.296 0.000 -0.000 0.000 3/40500 240.0 4.447 4.447 3.150 0.000 -0.000 0.000 3/40500 250.0 4.259 4.259 3.016 0.000 -0.000 0.000 3/40500 260.0 4.087 4.087 2.893 0.000 -0.000 0.000 3/40500 270.0 3.928 3.928 2.780 0.000 -0.000 0.000 3/40500 280.0 3.782 3.782 2.676 0.000 -0.000 0.000 3/40500 290.0 3.646 3.646 2.580 0.000 -0.000 0.000 3/40500 300.0 3.520 3.520 2.490 0.000 -0.000 0.000 3/40500 310.0 3.402 3.402 2.407 0.000 -0.000 0.000 3/40500 320.0 3.293 3.293 2.329 0.000 -0.000 0.000 3/40500 330.0 3.190 3.190 2.256 0.000 -0.000 0.000 3/40500 340.0 3.093 3.093 2.187 0.000 -0.000 0.000 3/40500 350.0 3.003 3.003 2.123 0.000 -0.000 0.000 3/40500 360.0 2.917 2.917 2.062 0.000 -0.000 0.000 3/40500 370.0 2.837 2.837 2.005 0.000 -0.000 0.000 3/40500 380.0 2.760 2.760 1.951 0.000 -0.000 0.000 3/40500 390.0 2.688 2.688 1.900 0.000 -0.000 0.000 3/40500 400.0 2.620 2.620 1.851 0.000 -0.000 0.000 3/40500 410.0 2.554 2.554 1.805 0.000 -0.000 0.000 3/40500 420.0 2.493 2.493 1.761 0.000 -0.000 0.000 3/40500 430.0 2.434 2.434 1.719 0.000 -0.000 0.000 3/40500 440.0 2.378 2.378 1.680 0.000 -0.000 0.000 3/40500 450.0 2.324 2.324 1.642 0.000 -0.000 0.000 3/40500 460.0 2.273 2.273 1.605 0.000 -0.000 0.000 3/40500 470.0 2.224 2.224 1.571 0.000 -0.000 0.000 3/40500 480.0 2.177 2.177 1.537 0.000 -0.000 0.000 3/40500 490.0 2.132 2.132 1.506 0.000 -0.000 0.000 3/40500 500.0 2.089 2.089 1.475 0.000 -0.000 0.000 3/40500 510.0 2.047 2.047 1.446 0.000 -0.000 0.000 3/40500 520.0 2.008 2.008 1.418 0.000 -0.000 0.000 3/40500 530.0 1.969 1.969 1.391 0.000 -0.000 0.000 3/40500 540.0 1.933 1.933 1.365 0.000 -0.000 0.000 3/40500 550.0 1.897 1.897 1.339 0.000 -0.000 0.000 3/40500 560.0 1.863 1.863 1.315 0.000 -0.000 0.000 3/40500 570.0 1.830 1.830 1.292 0.000 -0.000 0.000 3/40500 580.0 1.798 1.798 1.270 0.000 -0.000 0.000 3/40500 590.0 1.768 1.768 1.248 0.000 -0.000 0.000 3/40500 600.0 1.738 1.738 1.227 0.000 -0.000 0.000 3/40500 610.0 1.709 1.709 1.207 0.000 -0.000 0.000 3/40500 620.0 1.682 1.682 1.187 0.000 -0.000 0.000 3/40500 630.0 1.655 1.655 1.168 0.000 -0.000 0.000 3/40500 640.0 1.629 1.629 1.150 0.000 -0.000 0.000 3/40500 650.0 1.603 1.603 1.132 0.000 -0.000 0.000 3/40500 660.0 1.579 1.579 1.114 0.000 -0.000 0.000 3/40500 670.0 1.555 1.555 1.098 0.000 -0.000 0.000 3/40500 680.0 1.532 1.532 1.082 0.000 -0.000 0.000 3/40500 690.0 1.510 1.510 1.066 0.000 -0.000 0.000 3/40500 700.0 1.488 1.488 1.050 0.000 -0.000 0.000 3/40500 710.0 1.467 1.467 1.036 0.000 -0.000 0.000 3/40500 720.0 1.447 1.447 1.021 0.000 -0.000 0.000 3/40500 730.0 1.427 1.427 1.007 0.000 -0.000 0.000 3/40500 740.0 1.408 1.408 0.993 0.000 -0.000 0.000 3/40500 750.0 1.389 1.389 0.980 0.000 -0.000 0.000 3/40500 760.0 1.370 1.370 0.967 0.000 -0.000 0.000 3/40500 770.0 1.353 1.353 0.954 0.000 -0.000 0.000 3/40500 780.0 1.335 1.335 0.942 0.000 -0.000 0.000 3/40500 790.0 1.318 1.318 0.930 0.000 -0.000 0.000 3/40500 800.0 1.302 1.302 0.919 0.000 -0.000 0.000 3/40500 810.0 1.286 1.286 0.907 0.000 -0.000 0.000 3/40500 820.0 1.270 1.270 0.896 0.000 -0.000 0.000 3/40500 830.0 1.255 1.255 0.885 0.000 -0.000 0.000 3/40500 840.0 1.240 1.240 0.875 0.000 -0.000 0.000 3/40500 850.0 1.225 1.225 0.864 0.000 -0.000 0.000 3/40500 860.0 1.211 1.211 0.854 0.000 -0.000 0.000 3/40500 870.0 1.197 1.197 0.844 0.000 -0.000 0.000 3/40500 880.0 1.183 1.183 0.835 0.000 -0.000 0.000 3/40500 890.0 1.170 1.170 0.825 0.000 -0.000 0.000 3/40500 900.0 1.157 1.157 0.816 0.000 -0.000 0.000 3/40500 910.0 1.144 1.144 0.807 0.000 -0.000 0.000 3/40500 920.0 1.132 1.132 0.798 0.000 -0.000 0.000 3/40500 930.0 1.119 1.119 0.790 0.000 -0.000 0.000 3/40500 940.0 1.108 1.108 0.781 0.000 -0.000 0.000 3/40500 950.0 1.096 1.096 0.773 0.000 -0.000 0.000 3/40500 960.0 1.084 1.084 0.765 0.000 -0.000 0.000 3/40500 970.0 1.073 1.073 0.757 0.000 -0.000 0.000 3/40500 980.0 1.062 1.062 0.749 0.000 -0.000 0.000 3/40500 990.0 1.051 1.051 0.742 0.000 -0.000 0.000 3/40500 1000.0 1.041 1.041 0.734 0.000 -0.000 0.000 3/40500Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:20:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|