# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/1eb31e01-669b-44d9-a7d7-2ca34109aead/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 Tm2SO2 / P-3m1 (164) / materials id 3556](https://mdr.nims.go.jp/datasets/b90fbd9e-b6dd-4d65-b154-ad78d2d0a197) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 19:37:19]-------------------------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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)Number of symmetry operations in supercell: 216------------------------------ primitive cell ------------------------------Lattice vectors: a 3.695378720812148 0.000000000000000 0.000000000000000 b -1.847689360406075 3.200291848827764 0.000000000000000 c 0.000000000000000 0.000000000000000 6.441612890000000Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.62953855728432 15.999 2 O 0.66666666666667 0.33333333333333 0.37046144271568 15.999 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 *4 Tm 0.33333333333333 0.66666666666667 0.28294085959674 168.934 5 Tm 0.66666666666667 0.33333333333333 0.71705914040326 168.934-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.695378720812148 0.000000000000000 0.000000000000000 b -1.847689360406075 3.200291848827764 0.000000000000000 c 0.000000000000000 0.000000000000000 6.441612890000000Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.62953855728432 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.37046144271568 15.999 > 2 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 *4 Tm 0.33333333333333 0.66666666666667 0.28294085959674 168.934 > 4 5 Tm 0.66666666666667 0.33333333333333 0.71705914040326 168.934 > 5-------------------------------- super cell --------------------------------Lattice vectors: a 11.086136162436445 0.000000000000000 0.000000000000000 b -5.543068081218225 9.600875546483293 0.000000000000000 c 0.000000000000000 0.000000000000000 12.883225780000000Atomic positions (fractional): *1 O 0.11111111111111 0.22222222222222 0.31476927864216 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.31476927864216 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.31476927864216 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.31476927864216 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.31476927864216 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.31476927864216 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.31476927864216 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.31476927864216 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.31476927864216 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.81476927864216 15.999 > 1 11 O 0.44444444444444 0.22222222222222 0.81476927864216 15.999 > 1 12 O 0.77777777777778 0.22222222222222 0.81476927864216 15.999 > 1 13 O 0.11111111111111 0.55555555555556 0.81476927864216 15.999 > 1 14 O 0.44444444444444 0.55555555555556 0.81476927864216 15.999 > 1 15 O 0.77777777777778 0.55555555555556 0.81476927864216 15.999 > 1 16 O 0.11111111111111 0.88888888888889 0.81476927864216 15.999 > 1 17 O 0.44444444444444 0.88888888888889 0.81476927864216 15.999 > 1 18 O 0.77777777777778 0.88888888888889 0.81476927864216 15.999 > 1 19 O 0.22222222222222 0.11111111111111 0.18523072135784 15.999 > 2 20 O 0.55555555555556 0.11111111111111 0.18523072135784 15.999 > 2 21 O 0.88888888888889 0.11111111111111 0.18523072135784 15.999 > 2 22 O 0.22222222222222 0.44444444444444 0.18523072135784 15.999 > 2 23 O 0.55555555555556 0.44444444444444 0.18523072135784 15.999 > 2 24 O 0.88888888888889 0.44444444444444 0.18523072135784 15.999 > 2 25 O 0.22222222222222 0.77777777777778 0.18523072135784 15.999 > 2 26 O 0.55555555555556 0.77777777777778 0.18523072135784 15.999 > 2 27 O 0.88888888888889 0.77777777777778 0.18523072135784 15.999 > 2 28 O 0.22222222222222 0.11111111111111 0.68523072135784 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.68523072135784 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.68523072135784 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.68523072135784 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.68523072135784 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.68523072135784 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.68523072135784 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.68523072135784 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.68523072135784 15.999 > 2 *37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 3 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 3 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 3 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 3 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 3 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 3 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 3 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 3 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 3 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 3 *55 Tm 0.11111111111111 0.22222222222222 0.14147042979837 168.934 > 4 56 Tm 0.44444444444444 0.22222222222222 0.14147042979837 168.934 > 4 57 Tm 0.77777777777778 0.22222222222222 0.14147042979837 168.934 > 4 58 Tm 0.11111111111111 0.55555555555556 0.14147042979837 168.934 > 4 59 Tm 0.44444444444444 0.55555555555556 0.14147042979837 168.934 > 4 60 Tm 0.77777777777778 0.55555555555556 0.14147042979837 168.934 > 4 61 Tm 0.11111111111111 0.88888888888889 0.14147042979837 168.934 > 4 62 Tm 0.44444444444444 0.88888888888889 0.14147042979837 168.934 > 4 63 Tm 0.77777777777778 0.88888888888889 0.14147042979837 168.934 > 4 64 Tm 0.11111111111111 0.22222222222222 0.64147042979837 168.934 > 4 65 Tm 0.44444444444444 0.22222222222222 0.64147042979837 168.934 > 4 66 Tm 0.77777777777778 0.22222222222222 0.64147042979837 168.934 > 4 67 Tm 0.11111111111111 0.55555555555556 0.64147042979837 168.934 > 4 68 Tm 0.44444444444444 0.55555555555556 0.64147042979837 168.934 > 4 69 Tm 0.77777777777778 0.55555555555556 0.64147042979837 168.934 > 4 70 Tm 0.11111111111111 0.88888888888889 0.64147042979837 168.934 > 4 71 Tm 0.44444444444444 0.88888888888889 0.64147042979837 168.934 > 4 72 Tm 0.77777777777778 0.88888888888889 0.64147042979837 168.934 > 4 73 Tm 0.22222222222222 0.11111111111111 0.35852957020163 168.934 > 5 74 Tm 0.55555555555556 0.11111111111111 0.35852957020163 168.934 > 5 75 Tm 0.88888888888889 0.11111111111111 0.35852957020163 168.934 > 5 76 Tm 0.22222222222222 0.44444444444444 0.35852957020163 168.934 > 5 77 Tm 0.55555555555556 0.44444444444444 0.35852957020163 168.934 > 5 78 Tm 0.88888888888889 0.44444444444444 0.35852957020163 168.934 > 5 79 Tm 0.22222222222222 0.77777777777778 0.35852957020163 168.934 > 5 80 Tm 0.55555555555556 0.77777777777778 0.35852957020163 168.934 > 5 81 Tm 0.88888888888889 0.77777777777778 0.35852957020163 168.934 > 5 82 Tm 0.22222222222222 0.11111111111111 0.85852957020163 168.934 > 5 83 Tm 0.55555555555556 0.11111111111111 0.85852957020163 168.934 > 5 84 Tm 0.88888888888889 0.11111111111111 0.85852957020163 168.934 > 5 85 Tm 0.22222222222222 0.44444444444444 0.85852957020163 168.934 > 5 86 Tm 0.55555555555556 0.44444444444444 0.85852957020163 168.934 > 5 87 Tm 0.88888888888889 0.44444444444444 0.85852957020163 168.934 > 5 88 Tm 0.22222222222222 0.77777777777778 0.85852957020163 168.934 > 5 89 Tm 0.55555555555556 0.77777777777778 0.85852957020163 168.934 > 5 90 Tm 0.88888888888889 0.77777777777778 0.85852957020163 168.934 > 5----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2858394 -0.0000000 0.0000000 0.0000000 5.2858394 0.0000000 0.0000000 0.0000000 5.1425479-------------------------- Born effective charges -------------------------- 1 O -2.6121388 0.0000000 0.0000000 0.0000000 -2.6121388 0.0000000 0.0000000 0.0000000 -2.7147092 2 O -2.6121388 0.0000000 0.0000000 0.0000000 -2.6121388 0.0000000 0.0000000 0.0000000 -2.7147092 3 S -2.1607368 0.0000000 0.0000000 -0.0000000 -2.1607368 0.0000000 0.0000000 0.0000000 -2.2209051 4 Tm 3.6925072 -0.0000000 0.0000000 -0.0000000 3.6925072 0.0000000 0.0000000 0.0000000 3.8251618 5 Tm 3.6925072 -0.0000000 0.0000000 -0.0000000 3.6925072 0.0000000 0.0000000 0.0000000 3.8251618----------------------------------------------------------------------------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: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 198Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: True-----Solver_atoms: 1 -- 90 / 90Time (Solver_compr_matrix_reshape): 0.005Solver_block: 80 / 80 - Time: 0.108Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.115--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 198Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 19:37:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 19:37:22]-------------------------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 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.695378720812148 0.000000000000000 0.000000000000000 b -1.847689360406075 3.200291848827764 0.000000000000000 c 0.000000000000000 0.000000000000000 6.441612890000000Atomic positions (fractional): 1 O 0.33333333333333 0.66666666666667 0.62953855728432 15.999 2 O 0.66666666666667 0.33333333333333 0.37046144271568 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Tm 0.33333333333333 0.66666666666667 0.28294085959674 168.934 5 Tm 0.66666666666667 0.33333333333333 0.71705914040326 168.934-------------------------------- supercell ---------------------------------Lattice vectors: a 11.086136162436445 0.000000000000000 0.000000000000000 b -5.543068081218225 9.600875546483293 0.000000000000000 c 0.000000000000000 0.000000000000000 12.883225780000000Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.31476927864216 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.31476927864216 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.31476927864216 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.31476927864216 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.31476927864216 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.31476927864216 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.31476927864216 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.31476927864216 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.31476927864216 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.81476927864216 15.999 > 1 11 O 0.44444444444444 0.22222222222222 0.81476927864216 15.999 > 1 12 O 0.77777777777778 0.22222222222222 0.81476927864216 15.999 > 1 13 O 0.11111111111111 0.55555555555556 0.81476927864216 15.999 > 1 14 O 0.44444444444444 0.55555555555556 0.81476927864216 15.999 > 1 15 O 0.77777777777778 0.55555555555556 0.81476927864216 15.999 > 1 16 O 0.11111111111111 0.88888888888889 0.81476927864216 15.999 > 1 17 O 0.44444444444444 0.88888888888889 0.81476927864216 15.999 > 1 18 O 0.77777777777778 0.88888888888889 0.81476927864216 15.999 > 1 19 O 0.22222222222222 0.11111111111111 0.18523072135784 15.999 > 19 20 O 0.55555555555556 0.11111111111111 0.18523072135784 15.999 > 19 21 O 0.88888888888889 0.11111111111111 0.18523072135784 15.999 > 19 22 O 0.22222222222222 0.44444444444444 0.18523072135784 15.999 > 19 23 O 0.55555555555556 0.44444444444444 0.18523072135784 15.999 > 19 24 O 0.88888888888889 0.44444444444444 0.18523072135784 15.999 > 19 25 O 0.22222222222222 0.77777777777778 0.18523072135784 15.999 > 19 26 O 0.55555555555556 0.77777777777778 0.18523072135784 15.999 > 19 27 O 0.88888888888889 0.77777777777778 0.18523072135784 15.999 > 19 28 O 0.22222222222222 0.11111111111111 0.68523072135784 15.999 > 19 29 O 0.55555555555556 0.11111111111111 0.68523072135784 15.999 > 19 30 O 0.88888888888889 0.11111111111111 0.68523072135784 15.999 > 19 31 O 0.22222222222222 0.44444444444444 0.68523072135784 15.999 > 19 32 O 0.55555555555556 0.44444444444444 0.68523072135784 15.999 > 19 33 O 0.88888888888889 0.44444444444444 0.68523072135784 15.999 > 19 34 O 0.22222222222222 0.77777777777778 0.68523072135784 15.999 > 19 35 O 0.55555555555556 0.77777777777778 0.68523072135784 15.999 > 19 36 O 0.88888888888889 0.77777777777778 0.68523072135784 15.999 > 19 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 37 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 37 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 37 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 37 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 37 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 37 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 37 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 37 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 37 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 37 55 Tm 0.11111111111111 0.22222222222222 0.14147042979837 168.934 > 55 56 Tm 0.44444444444444 0.22222222222222 0.14147042979837 168.934 > 55 57 Tm 0.77777777777778 0.22222222222222 0.14147042979837 168.934 > 55 58 Tm 0.11111111111111 0.55555555555556 0.14147042979837 168.934 > 55 59 Tm 0.44444444444444 0.55555555555556 0.14147042979837 168.934 > 55 60 Tm 0.77777777777778 0.55555555555556 0.14147042979837 168.934 > 55 61 Tm 0.11111111111111 0.88888888888889 0.14147042979837 168.934 > 55 62 Tm 0.44444444444444 0.88888888888889 0.14147042979837 168.934 > 55 63 Tm 0.77777777777778 0.88888888888889 0.14147042979837 168.934 > 55 64 Tm 0.11111111111111 0.22222222222222 0.64147042979837 168.934 > 55 65 Tm 0.44444444444444 0.22222222222222 0.64147042979837 168.934 > 55 66 Tm 0.77777777777778 0.22222222222222 0.64147042979837 168.934 > 55 67 Tm 0.11111111111111 0.55555555555556 0.64147042979837 168.934 > 55 68 Tm 0.44444444444444 0.55555555555556 0.64147042979837 168.934 > 55 69 Tm 0.77777777777778 0.55555555555556 0.64147042979837 168.934 > 55 70 Tm 0.11111111111111 0.88888888888889 0.64147042979837 168.934 > 55 71 Tm 0.44444444444444 0.88888888888889 0.64147042979837 168.934 > 55 72 Tm 0.77777777777778 0.88888888888889 0.64147042979837 168.934 > 55 73 Tm 0.22222222222222 0.11111111111111 0.35852957020163 168.934 > 73 74 Tm 0.55555555555556 0.11111111111111 0.35852957020163 168.934 > 73 75 Tm 0.88888888888889 0.11111111111111 0.35852957020163 168.934 > 73 76 Tm 0.22222222222222 0.44444444444444 0.35852957020163 168.934 > 73 77 Tm 0.55555555555556 0.44444444444444 0.35852957020163 168.934 > 73 78 Tm 0.88888888888889 0.44444444444444 0.35852957020163 168.934 > 73 79 Tm 0.22222222222222 0.77777777777778 0.35852957020163 168.934 > 73 80 Tm 0.55555555555556 0.77777777777778 0.35852957020163 168.934 > 73 81 Tm 0.88888888888889 0.77777777777778 0.35852957020163 168.934 > 73 82 Tm 0.22222222222222 0.11111111111111 0.85852957020163 168.934 > 73 83 Tm 0.55555555555556 0.11111111111111 0.85852957020163 168.934 > 73 84 Tm 0.88888888888889 0.11111111111111 0.85852957020163 168.934 > 73 85 Tm 0.22222222222222 0.44444444444444 0.85852957020163 168.934 > 73 86 Tm 0.55555555555556 0.44444444444444 0.85852957020163 168.934 > 73 87 Tm 0.88888888888889 0.44444444444444 0.85852957020163 168.934 > 73 88 Tm 0.22222222222222 0.77777777777778 0.85852957020163 168.934 > 73 89 Tm 0.55555555555556 0.77777777777778 0.85852957020163 168.934 > 73 90 Tm 0.88888888888889 0.77777777777778 0.85852957020163 168.934 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2858394 -0.0000000 0.0000000 0.0000000 5.2858394 0.0000000 0.0000000 0.0000000 5.1425479-------------------------- Born effective charges -------------------------- 1 O -2.6121388 0.0000000 0.0000000 0.0000000 -2.6121388 0.0000000 0.0000000 0.0000000 -2.7147092 2 O -2.6121388 0.0000000 0.0000000 0.0000000 -2.6121388 0.0000000 0.0000000 0.0000000 -2.7147092 3 S -2.1607368 0.0000000 0.0000000 -0.0000000 -2.1607368 0.0000000 0.0000000 0.0000000 -2.2209051 4 Tm 3.6925072 -0.0000000 0.0000000 -0.0000000 3.6925072 0.0000000 0.0000000 0.0000000 3.8251618 5 Tm 3.6925072 -0.0000000 0.0000000 -0.0000000 3.6925072 0.0000000 0.0000000 0.0000000 3.8251618----------------------------------------------------------------------------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[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 19:37:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 19:37:27]-------------------------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 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.695378720812148 0.000000000000000 0.000000000000000 b -1.847689360406075 3.200291848827764 0.000000000000000 c 0.000000000000000 0.000000000000000 6.441612890000000Atomic positions (fractional): 1 O 0.33333333333333 0.66666666666667 0.62953855728432 15.999 2 O 0.66666666666667 0.33333333333333 0.37046144271568 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Tm 0.33333333333333 0.66666666666667 0.28294085959674 168.934 5 Tm 0.66666666666667 0.33333333333333 0.71705914040326 168.934-------------------------------- supercell ---------------------------------Lattice vectors: a 11.086136162436445 0.000000000000000 0.000000000000000 b -5.543068081218225 9.600875546483293 0.000000000000000 c 0.000000000000000 0.000000000000000 12.883225780000000Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.31476927864216 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.31476927864216 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.31476927864216 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.31476927864216 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.31476927864216 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.31476927864216 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.31476927864216 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.31476927864216 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.31476927864216 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.81476927864216 15.999 > 1 11 O 0.44444444444444 0.22222222222222 0.81476927864216 15.999 > 1 12 O 0.77777777777778 0.22222222222222 0.81476927864216 15.999 > 1 13 O 0.11111111111111 0.55555555555556 0.81476927864216 15.999 > 1 14 O 0.44444444444444 0.55555555555556 0.81476927864216 15.999 > 1 15 O 0.77777777777778 0.55555555555556 0.81476927864216 15.999 > 1 16 O 0.11111111111111 0.88888888888889 0.81476927864216 15.999 > 1 17 O 0.44444444444444 0.88888888888889 0.81476927864216 15.999 > 1 18 O 0.77777777777778 0.88888888888889 0.81476927864216 15.999 > 1 19 O 0.22222222222222 0.11111111111111 0.18523072135784 15.999 > 19 20 O 0.55555555555556 0.11111111111111 0.18523072135784 15.999 > 19 21 O 0.88888888888889 0.11111111111111 0.18523072135784 15.999 > 19 22 O 0.22222222222222 0.44444444444444 0.18523072135784 15.999 > 19 23 O 0.55555555555556 0.44444444444444 0.18523072135784 15.999 > 19 24 O 0.88888888888889 0.44444444444444 0.18523072135784 15.999 > 19 25 O 0.22222222222222 0.77777777777778 0.18523072135784 15.999 > 19 26 O 0.55555555555556 0.77777777777778 0.18523072135784 15.999 > 19 27 O 0.88888888888889 0.77777777777778 0.18523072135784 15.999 > 19 28 O 0.22222222222222 0.11111111111111 0.68523072135784 15.999 > 19 29 O 0.55555555555556 0.11111111111111 0.68523072135784 15.999 > 19 30 O 0.88888888888889 0.11111111111111 0.68523072135784 15.999 > 19 31 O 0.22222222222222 0.44444444444444 0.68523072135784 15.999 > 19 32 O 0.55555555555556 0.44444444444444 0.68523072135784 15.999 > 19 33 O 0.88888888888889 0.44444444444444 0.68523072135784 15.999 > 19 34 O 0.22222222222222 0.77777777777778 0.68523072135784 15.999 > 19 35 O 0.55555555555556 0.77777777777778 0.68523072135784 15.999 > 19 36 O 0.88888888888889 0.77777777777778 0.68523072135784 15.999 > 19 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 37 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 37 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 37 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 37 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 37 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 37 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 37 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 37 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 37 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 37 55 Tm 0.11111111111111 0.22222222222222 0.14147042979837 168.934 > 55 56 Tm 0.44444444444444 0.22222222222222 0.14147042979837 168.934 > 55 57 Tm 0.77777777777778 0.22222222222222 0.14147042979837 168.934 > 55 58 Tm 0.11111111111111 0.55555555555556 0.14147042979837 168.934 > 55 59 Tm 0.44444444444444 0.55555555555556 0.14147042979837 168.934 > 55 60 Tm 0.77777777777778 0.55555555555556 0.14147042979837 168.934 > 55 61 Tm 0.11111111111111 0.88888888888889 0.14147042979837 168.934 > 55 62 Tm 0.44444444444444 0.88888888888889 0.14147042979837 168.934 > 55 63 Tm 0.77777777777778 0.88888888888889 0.14147042979837 168.934 > 55 64 Tm 0.11111111111111 0.22222222222222 0.64147042979837 168.934 > 55 65 Tm 0.44444444444444 0.22222222222222 0.64147042979837 168.934 > 55 66 Tm 0.77777777777778 0.22222222222222 0.64147042979837 168.934 > 55 67 Tm 0.11111111111111 0.55555555555556 0.64147042979837 168.934 > 55 68 Tm 0.44444444444444 0.55555555555556 0.64147042979837 168.934 > 55 69 Tm 0.77777777777778 0.55555555555556 0.64147042979837 168.934 > 55 70 Tm 0.11111111111111 0.88888888888889 0.64147042979837 168.934 > 55 71 Tm 0.44444444444444 0.88888888888889 0.64147042979837 168.934 > 55 72 Tm 0.77777777777778 0.88888888888889 0.64147042979837 168.934 > 55 73 Tm 0.22222222222222 0.11111111111111 0.35852957020163 168.934 > 73 74 Tm 0.55555555555556 0.11111111111111 0.35852957020163 168.934 > 73 75 Tm 0.88888888888889 0.11111111111111 0.35852957020163 168.934 > 73 76 Tm 0.22222222222222 0.44444444444444 0.35852957020163 168.934 > 73 77 Tm 0.55555555555556 0.44444444444444 0.35852957020163 168.934 > 73 78 Tm 0.88888888888889 0.44444444444444 0.35852957020163 168.934 > 73 79 Tm 0.22222222222222 0.77777777777778 0.35852957020163 168.934 > 73 80 Tm 0.55555555555556 0.77777777777778 0.35852957020163 168.934 > 73 81 Tm 0.88888888888889 0.77777777777778 0.35852957020163 168.934 > 73 82 Tm 0.22222222222222 0.11111111111111 0.85852957020163 168.934 > 73 83 Tm 0.55555555555556 0.11111111111111 0.85852957020163 168.934 > 73 84 Tm 0.88888888888889 0.11111111111111 0.85852957020163 168.934 > 73 85 Tm 0.22222222222222 0.44444444444444 0.85852957020163 168.934 > 73 86 Tm 0.55555555555556 0.44444444444444 0.85852957020163 168.934 > 73 87 Tm 0.88888888888889 0.44444444444444 0.85852957020163 168.934 > 73 88 Tm 0.22222222222222 0.77777777777778 0.85852957020163 168.934 > 73 89 Tm 0.55555555555556 0.77777777777778 0.85852957020163 168.934 > 73 90 Tm 0.88888888888889 0.77777777777778 0.85852957020163 168.934 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.2858394 -0.0000000 0.0000000 0.0000000 5.2858394 0.0000000 0.0000000 0.0000000 5.1425479-------------------------- Born effective charges -------------------------- 1 O -2.6121388 0.0000000 0.0000000 0.0000000 -2.6121388 0.0000000 0.0000000 0.0000000 -2.7147092 2 O -2.6121388 0.0000000 0.0000000 0.0000000 -2.6121388 0.0000000 0.0000000 0.0000000 -2.7147092 3 S -2.1607368 0.0000000 0.0000000 -0.0000000 -2.1607368 0.0000000 0.0000000 0.0000000 -2.2209051 4 Tm 3.6925072 -0.0000000 0.0000000 -0.0000000 3.6925072 0.0000000 0.0000000 0.0000000 3.8251618 5 Tm 3.6925072 -0.0000000 0.0000000 -0.0000000 3.6925072 0.0000000 0.0000000 0.0000000 3.8251618----------------------------------------------------------------------------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 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 16 16 8 ]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: 0.98, Number of G-points: 301, Lambda: 0.23Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/213) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 213Calculating 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 3.218 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 11.849 ( 0.000 0.000 0.000) 0.000 11.849 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 0.000 0.000) 0.000 13.989 ( 0.000 0.000 0.000) 0.000 13.989 ( 0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/213) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.463 ( 20.631 11.911 1.572) 23.875 0.637 ( 27.719 16.004 -0.592) 32.013 1.002 ( 44.040 25.426 -0.374) 50.854 3.237 ( 1.609 0.929 -0.457) 1.913 3.324 ( 9.153 5.285 0.450) 10.579 5.686 ( -4.328 -2.499 -0.113) 4.999 6.287 ( 1.588 0.917 -0.119) 1.837 7.355 ( 2.520 1.455 0.118) 2.913 7.684 ( 0.900 0.520 -2.274) 2.500 11.822 ( -2.390 -1.380 -0.986) 2.931 13.008 ( -26.026 -15.026 4.507) 30.389 13.982 ( -0.565 -0.326 0.941) 1.145 14.314 ( 10.208 5.894 -32.709) 34.768 14.412 ( -0.077 -0.044 19.772) 19.772 15.988 ( 5.483 3.166 8.826) 10.862======================= Grid point 2 (3/213) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( 20.927 12.082 1.456) 24.208 1.240 ( 25.512 14.729 -0.871) 29.471 1.976 ( 42.118 24.317 0.168) 48.634 3.289 ( 3.008 1.737 -1.014) 3.618 3.611 ( 15.732 9.083 0.893) 18.188 5.547 ( -7.747 -4.473 -0.913) 8.992 6.341 ( 3.166 1.828 -0.221) 3.662 7.432 ( 4.126 2.382 0.439) 4.784 7.711 ( 1.437 0.829 -4.914) 5.186 11.736 ( -5.331 -3.078 -1.612) 6.363 12.414 ( -25.583 -14.771 2.287) 29.630 13.970 ( -0.299 -0.173 1.596) 1.633 14.060 ( -16.546 -9.553 -11.348) 22.222 14.781 ( 16.660 9.619 -2.871) 19.451 16.133 ( 6.810 3.931 13.067) 15.250======================= Grid point 3 (4/213) =======================q-point: ( 0.19 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( 20.765 11.988 1.560) 24.028 1.781 ( 22.435 12.953 -1.109) 25.930 2.883 ( 37.782 21.813 2.222) 43.684 3.369 ( 4.013 2.317 -1.727) 4.945 4.008 ( 18.907 10.916 0.922) 21.852 5.350 ( -9.258 -5.345 -3.165) 11.149 6.428 ( 4.564 2.635 -0.305) 5.278 7.530 ( 4.258 2.458 0.715) 4.968 7.746 ( 1.665 0.961 -7.668) 7.905 11.578 ( -8.753 -5.053 -1.658) 10.242 11.886 ( -20.690 -11.946 0.498) 23.896 13.649 ( -19.438 -11.222 -7.651) 23.713 13.976 ( 1.020 0.589 1.774) 2.129 15.096 ( 11.277 6.511 -4.569) 13.800 16.275 ( 5.528 3.192 14.151) 15.524======================= Grid point 4 (5/213) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 19.521 11.270 1.983) 22.628 2.250 ( 19.146 11.054 -0.994) 22.130 3.466 ( 4.488 2.591 -2.518) 5.761 3.637 ( 27.466 15.857 7.815) 32.663 4.449 ( 20.121 11.617 -0.852) 23.249 5.160 ( -6.599 -3.810 -7.510) 10.699 6.543 ( 5.448 3.146 -0.383) 6.303 7.610 ( 2.465 1.423 -1.076) 3.043 7.790 ( 2.423 1.399 -8.052) 8.525 11.345 ( -11.669 -6.737 -1.215) 13.529 11.496 ( -13.749 -7.938 -0.263) 15.879 13.197 ( -20.386 -11.770 -4.568) 23.979 14.019 ( 2.720 1.570 1.521) 3.489 15.296 ( 6.671 3.851 -4.884) 9.121 16.376 ( 3.374 1.948 13.757) 14.298======================= Grid point 5 (6/213) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( 16.760 9.676 2.497) 19.513 2.647 ( 16.178 9.340 -0.317) 18.683 3.567 ( 4.339 2.505 -3.099) 5.892 4.032 ( 6.471 3.736 13.076) 15.060 4.921 ( 21.400 12.355 -3.041) 24.896 5.113 ( 3.453 1.994 -11.353) 12.033 6.668 ( 5.483 3.165 -0.445) 6.346 7.636 ( -0.003 -0.002 -5.389) 5.389 7.857 ( 3.329 1.922 -4.622) 6.012 11.066 ( -12.708 -7.337 -0.624) 14.687 11.269 ( -6.472 -3.737 -0.349) 7.481 12.740 ( -19.903 -11.491 -1.990) 23.068 14.094 ( 3.768 2.176 1.082) 4.484 15.408 ( 3.500 2.021 -4.827) 6.296 16.429 ( 1.393 0.804 12.310) 12.415======================= Grid point 6 (7/213) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.603 ( 12.358 7.135 2.579) 14.501 2.984 ( 13.822 7.980 0.734) 15.977 3.657 ( 3.504 2.023 -3.022) 5.050 3.994 ( -7.188 -4.150 8.061) 11.570 5.240 ( 7.980 4.608 -2.452) 9.536 5.404 ( 18.230 10.525 -7.637) 22.393 6.782 ( 4.495 2.595 -0.434) 5.208 7.621 ( -1.044 -0.603 -6.724) 6.831 7.930 ( 2.978 1.720 -1.970) 3.963 10.793 ( -10.958 -6.326 -0.189) 12.654 11.197 ( -0.145 -0.084 -0.393) 0.427 12.312 ( -17.820 -10.289 -0.185) 20.578 14.179 ( 3.564 2.058 0.658) 4.168 15.464 ( 1.619 0.935 -4.118) 4.522 16.445 ( 0.169 0.097 9.544) 9.546======================= Grid point 7 (8/213) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.819 ( 6.569 3.793 1.721) 7.778 3.276 ( 12.187 7.036 1.396) 14.141 3.720 ( 1.988 1.148 -1.933) 3.001 3.786 ( -10.455 -6.036 2.508) 12.330 5.389 ( 4.806 2.775 -1.171) 5.671 5.733 ( 10.263 5.925 -3.409) 12.331 6.863 ( 2.551 1.473 -0.282) 2.959 7.598 ( -0.850 -0.491 -4.367) 4.476 7.985 ( 1.727 0.997 -0.708) 2.116 10.593 ( -6.389 -3.689 -0.008) 7.378 11.245 ( 3.824 2.208 -0.530) 4.447 11.956 ( -12.974 -7.491 0.616) 14.994 14.245 ( 2.143 1.237 0.306) 2.493 15.488 ( 0.603 0.348 -2.438) 2.535 16.443 ( -0.193 -0.111 5.290) 5.295======================= Grid point 8 (9/213) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 298Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.894 ( 0.000 0.000 -0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.549 ( -0.000 -0.000 -0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 -0.000) 0.000 7.588 ( 0.000 0.000 -0.000) 0.000 8.005 ( 0.000 0.000 -0.000) 0.000 10.519 ( 0.000 0.000 -0.000) 0.000 11.310 ( 0.000 0.000 -0.000) 0.000 11.788 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 15.494 ( 0.000 0.000 -0.000) 0.000 16.440 ( 0.000 0.000 0.000) 0.000======================= Grid point 18 (10/213) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( 12.324 21.346 0.000) 24.648 1.083 ( 15.124 26.195 0.000) 30.248 1.716 ( 24.591 42.593 0.000) 49.182 3.277 ( 1.781 3.085 0.000) 3.562 3.516 ( 8.057 13.955 0.000) 16.114 5.591 ( -4.024 -6.971 0.000) 8.049 6.323 ( 1.614 2.795 0.000) 3.228 7.407 ( 2.160 3.742 0.000) 4.320 7.702 ( 0.737 1.277 0.000) 1.475 11.769 ( -2.424 -4.198 0.000) 4.848 12.580 ( -14.913 -25.831 0.000) 29.827 13.875 ( -4.586 -7.944 0.000) 9.173 14.228 ( -5.477 -9.487 0.000) 10.955 14.701 ( 11.514 19.943 0.000) 23.029 16.081 ( 3.399 5.887 0.000) 6.798======================= Grid point 19 (11/213) =======================q-point: ( 0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( 15.486 19.613 0.787) 25.002 1.596 ( 17.819 20.482 -0.570) 27.155 2.567 ( 30.210 34.175 0.666) 45.618 3.353 ( 2.610 4.712 -0.819) 5.448 3.848 ( 13.921 14.719 0.579) 20.267 5.423 ( -6.835 -7.907 -1.160) 10.516 6.396 ( 3.111 3.817 -0.148) 4.926 7.493 ( 3.389 3.629 0.357) 4.978 7.731 ( 1.191 1.094 -3.634) 3.978 11.652 ( -5.847 -5.775 -0.925) 8.270 12.075 ( -17.736 -18.744 0.567) 25.812 13.656 ( -6.272 -19.565 -3.099) 20.778 14.073 ( -6.001 0.414 -0.537) 6.039 15.050 ( 8.492 15.802 -2.912) 18.174 16.200 ( 5.249 2.665 7.965) 9.905======================= Grid point 20 (12/213) =======================q-point: ( 0.19 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( 15.940 18.298 1.271) 24.300 2.072 ( 17.042 16.092 -0.824) 23.453 3.352 ( 24.741 22.065 2.995) 33.286 3.464 ( 5.684 10.099 -0.783) 11.615 4.253 ( 17.019 13.726 0.098) 21.865 5.226 ( -7.037 -6.944 -4.148) 10.722 6.500 ( 4.212 4.745 -0.259) 6.350 7.581 ( 3.043 2.646 0.125) 4.034 7.764 ( 1.754 0.757 -6.365) 6.646 11.457 ( -9.269 -7.469 -1.060) 11.951 11.646 ( -14.788 -12.012 -0.083) 19.052 13.299 ( -11.538 -21.106 -3.815) 24.354 14.034 ( -1.179 3.139 0.951) 3.486 15.291 ( 3.903 12.149 -4.597) 13.563 16.301 ( 5.366 -0.597 11.313) 12.536======================= Grid point 21 (13/213) =======================q-point: ( 0.25 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.136 ( 14.527 16.554 1.817) 22.099 2.485 ( 15.285 12.628 -0.566) 19.835 3.546 ( 3.048 5.288 -2.461) 6.581 3.950 ( 13.422 15.325 10.939) 23.123 4.691 ( 19.834 12.894 -3.277) 23.883 5.097 ( -1.279 -2.042 -8.391) 8.730 6.625 ( 4.557 5.329 -0.351) 7.020 7.634 ( 0.840 1.061 -3.012) 3.302 7.811 ( 3.192 0.647 -5.296) 6.217 11.208 ( -11.481 -7.103 -0.775) 13.523 11.344 ( -9.315 -7.586 -0.278) 12.017 12.879 ( -14.234 -19.300 -2.404) 24.101 14.078 ( 1.865 4.022 1.128) 4.574 15.428 ( 0.506 8.805 -5.264) 10.271 16.367 ( 4.412 -2.807 11.975) 13.067======================= Grid point 22 (14/213) =======================q-point: ( 0.31 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.507 ( 11.289 13.985 2.228) 18.110 2.838 ( 13.491 9.913 0.178) 16.742 3.638 ( 2.261 3.918 -2.720) 5.278 4.096 ( -4.703 3.704 10.718) 12.276 5.152 ( 11.987 9.169 0.603) 15.103 5.179 ( 15.619 6.299 -12.852) 21.185 6.751 ( 3.905 5.356 -0.401) 6.640 7.635 ( -0.951 -0.040 -6.157) 6.231 7.879 ( 3.959 0.236 -2.394) 4.633 10.936 ( -12.539 -5.896 -0.352) 13.861 11.193 ( -2.006 -3.980 -0.296) 4.467 12.455 ( -14.592 -16.859 -0.753) 22.310 14.163 ( 2.656 4.889 0.886) 5.634 15.490 ( -1.199 5.797 -5.049) 7.781 16.398 ( 3.202 -3.764 10.620) 11.714======================= Grid point 23 (15/213) =======================q-point: ( 0.38 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.780 ( 6.451 10.584 2.042) 12.562 3.138 ( 12.014 7.497 0.896) 14.189 3.685 ( 0.615 -0.816 -1.590) 1.890 3.981 ( -10.835 4.620 4.266) 12.528 5.325 ( 6.404 3.876 -2.227) 7.810 5.573 ( 15.478 6.578 -4.607) 17.437 6.854 ( 2.233 4.745 -0.344) 5.255 7.612 ( -1.276 -0.344 -5.586) 5.740 7.941 ( 3.428 -0.589 -0.868) 3.584 10.695 ( -9.712 -3.805 -0.083) 10.431 11.185 ( 3.499 -1.193 -0.434) 3.722 12.072 ( -12.510 -13.638 0.364) 18.510 14.251 ( 1.432 5.339 0.560) 5.556 15.510 ( -1.515 3.338 -3.737) 5.235 16.407 ( 2.316 -3.778 7.376) 8.605======================= Grid point 24 (16/213) =======================q-point: ( 0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.924 ( 0.449 6.773 0.870) 6.844 3.389 ( 10.781 3.904 0.830) 11.496 3.610 ( -5.121 -6.125 -0.102) 7.984 3.891 ( -8.346 10.973 0.125) 13.787 5.428 ( 2.518 1.162 -0.612) 2.840 5.798 ( 6.484 0.572 -1.518) 6.684 6.913 ( -0.236 3.550 -0.139) 3.561 7.593 ( -0.604 -0.093 -2.192) 2.276 7.978 ( 2.069 -1.601 -0.213) 2.625 10.553 ( -4.142 -0.466 -0.003) 4.168 11.258 ( 4.851 -1.117 -0.381) 4.993 11.799 ( -5.492 -8.093 0.474) 9.791 14.306 ( -1.072 4.877 0.195) 4.997 15.512 ( -1.154 1.940 -1.390) 2.651 16.407 ( 1.961 -3.471 2.649) 4.786======================= Grid point 35 (17/213) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 12.672 21.948 0.000) 25.343 2.004 ( 11.917 20.640 0.000) 23.833 3.241 ( 18.506 32.054 0.000) 37.012 3.474 ( 5.135 8.895 0.000) 10.271 4.169 ( 10.252 17.757 0.000) 20.504 5.253 ( -5.209 -9.023 0.000) 10.419 6.489 ( 3.256 5.640 0.000) 6.513 7.567 ( 2.156 3.734 0.000) 4.312 7.752 ( 0.608 1.054 0.000) 1.217 11.501 ( -5.667 -9.816 0.000) 11.334 11.722 ( -9.603 -16.632 0.000) 19.206 13.272 ( -11.449 -19.831 0.000) 22.899 14.069 ( 0.010 0.017 0.000) 0.020 15.336 ( 7.261 12.576 0.000) 14.522 16.238 ( 0.796 1.378 0.000) 1.592======================= Grid point 36 (18/213) =======================q-point: ( 0.19 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( 12.838 20.512 0.613) 24.206 2.390 ( 12.297 16.127 -0.278) 20.283 3.548 ( 3.713 6.253 -0.795) 7.316 3.903 ( 15.299 24.944 4.254) 29.569 4.529 ( 13.847 14.220 -1.551) 19.908 5.104 ( -3.083 -4.653 -3.033) 6.353 6.612 ( 4.087 6.555 -0.132) 7.726 7.629 ( 1.481 2.116 -0.720) 2.681 7.775 ( 1.463 0.422 -2.541) 2.962 11.286 ( -7.452 -9.507 -0.333) 12.084 11.430 ( -9.785 -10.397 -0.152) 14.278 12.880 ( -11.076 -21.274 -1.050) 24.007 14.093 ( 1.178 3.332 0.494) 3.568 15.527 ( 1.514 11.262 -3.432) 11.870 16.259 ( 2.966 -3.486 6.124) 7.645======================= Grid point 37 (19/213) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.483 ( 10.720 18.328 1.159) 21.265 2.732 ( 11.670 12.525 -0.106) 17.119 3.643 ( 1.864 3.647 -1.431) 4.338 4.223 ( -0.399 12.843 9.906) 16.224 4.929 ( 18.924 10.279 -7.629) 22.847 5.110 ( 4.459 4.473 -3.141) 7.054 6.748 ( 3.895 7.056 -0.235) 8.063 7.650 ( -0.465 0.509 -3.736) 3.799 7.815 ( 3.121 -0.172 -1.623) 3.521 11.071 ( -9.498 -6.944 -0.345) 11.771 11.200 ( -5.664 -7.076 -0.149) 9.065 12.486 ( -11.319 -20.295 -0.693) 23.248 14.172 ( 2.710 5.750 0.765) 6.403 15.610 ( -3.256 9.346 -5.620) 11.382 16.274 ( 4.694 -6.421 9.114) 12.096======================= Grid point 38 (20/213) =======================q-point: ( 0.31 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( 6.797 15.111 1.652) 16.651 3.029 ( 10.520 9.615 0.051) 14.251 3.674 ( -0.037 -0.944 -0.901) 1.305 4.228 ( -9.231 10.569 6.061) 15.286 5.242 ( 8.900 3.386 -5.927) 11.216 5.366 ( 15.835 8.698 -2.057) 18.184 6.873 ( 2.576 6.962 -0.274) 7.428 7.632 ( -1.415 -0.478 -5.102) 5.316 7.869 ( 3.704 -0.976 -0.346) 3.846 10.831 ( -10.769 -5.099 -0.160) 11.917 11.118 ( 1.328 -3.566 -0.255) 3.814 12.112 ( -10.577 -17.731 0.064) 20.646 14.284 ( 2.435 7.496 0.761) 7.918 15.613 ( -5.018 6.293 -5.373) 9.677 16.292 ( 4.964 -6.865 8.310) 11.867======================= Grid point 39 (21/213) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.001 ( 1.631 11.606 1.553) 11.823 3.269 ( 8.741 5.764 -0.269) 10.474 3.623 ( -2.579 -4.253 0.142) 4.976 4.179 ( -10.314 14.341 1.746) 17.751 5.384 ( 4.673 2.003 -1.816) 5.398 5.653 ( 11.164 1.410 -1.969) 11.424 6.963 ( 0.231 6.214 -0.188) 6.221 7.603 ( -0.985 -0.836 -3.420) 3.655 7.914 ( 3.049 -1.897 0.009) 3.591 10.640 ( -7.050 -2.023 -0.050) 7.335 11.152 ( 5.158 -2.002 -0.384) 5.546 11.801 ( -7.149 -13.609 0.491) 15.380 14.384 ( -0.124 8.118 0.509) 8.135 15.581 ( -4.040 3.745 -3.165) 6.353 16.306 ( 4.288 -6.339 4.757) 9.011======================= Grid point 40 (22/213) =======================q-point: ( 0.44 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.072 ( -4.652 8.057 -0.000) 9.304 3.400 ( 1.481 -2.565 0.000) 2.962 3.549 ( 0.053 -0.091 0.000) 0.105 4.162 ( -9.372 16.233 0.000) 18.744 5.434 ( 0.343 -0.593 -0.000) 0.685 5.756 ( 2.735 -4.736 -0.000) 5.469 6.996 ( -2.754 4.770 -0.000) 5.508 7.589 ( 0.257 -0.445 -0.000) 0.514 7.931 ( 1.647 -2.853 0.000) 3.294 10.568 ( -1.006 1.743 0.000) 2.013 11.203 ( 2.425 -4.200 0.000) 4.849 11.657 ( 3.613 -6.258 -0.000) 7.226 14.425 ( -3.980 6.894 -0.000) 7.961 15.563 ( -1.993 3.452 0.000) 3.986 16.312 ( 3.594 -6.225 0.000) 7.188======================= Grid point 53 (23/213) =======================q-point: ( 0.19 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.485 ( 11.169 19.345 0.000) 22.338 2.694 ( 8.639 14.963 0.000) 17.278 3.644 ( 1.875 3.248 0.000) 3.750 4.310 ( 8.526 14.768 0.000) 17.052 4.797 ( 7.743 13.412 0.000) 15.487 5.095 ( 2.822 4.887 0.000) 5.643 6.750 ( 4.292 7.435 0.000) 8.585 7.657 ( 0.333 0.577 0.000) 0.666 7.785 ( 0.493 0.855 0.000) 0.987 11.110 ( -4.838 -8.380 0.000) 9.676 11.227 ( -5.857 -10.145 0.000) 11.714 12.476 ( -11.560 -20.022 0.000) 23.120 14.178 ( 3.190 5.524 0.000) 6.379 15.709 ( 3.990 6.912 0.000) 7.981 16.180 ( -2.331 -4.038 0.000) 4.663======================= Grid point 54 (24/213) =======================q-point: ( 0.25 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.825 ( 8.220 15.902 0.723) 17.915 2.975 ( 8.679 12.559 -0.249) 15.268 3.665 ( -0.427 -1.390 -0.211) 1.470 4.465 ( -3.485 12.031 4.567) 13.333 5.069 ( 12.689 5.421 -5.599) 14.891 5.272 ( 7.547 9.975 0.305) 12.512 6.894 ( 3.675 7.666 -0.101) 8.502 7.647 ( -1.166 -1.073 -2.277) 2.774 7.813 ( 2.087 0.237 0.141) 2.105 10.931 ( -7.676 -7.660 -0.088) 10.844 11.080 ( -1.747 -4.684 -0.083) 5.000 12.102 ( -10.067 -18.712 -0.020) 21.248 14.307 ( 3.937 7.960 0.383) 8.889 15.778 ( -4.529 7.528 -5.004) 10.110 16.128 ( 3.915 -8.309 6.105) 11.029======================= Grid point 55 (25/213) =======================q-point: ( 0.31 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.069 ( 4.696 11.879 2.041) 12.935 3.218 ( 6.207 10.013 -1.723) 11.906 3.615 ( -1.589 -4.283 0.451) 4.590 4.493 ( -8.337 15.604 2.948) 17.936 5.292 ( 9.050 1.671 -4.012) 10.040 5.490 ( 9.114 3.758 -0.163) 9.860 7.016 ( 1.763 7.463 -0.116) 7.669 7.606 ( -1.295 -2.393 -2.743) 3.864 7.853 ( 2.466 -0.418 0.312) 2.521 10.734 ( -7.388 -4.837 -0.070) 8.831 11.063 ( 2.827 -1.758 -0.211) 3.335 11.779 ( -7.699 -16.029 0.275) 17.784 14.451 ( 2.593 9.333 0.541) 9.701 15.724 ( -7.658 4.926 -4.905) 10.342 16.142 ( 6.470 -8.118 5.880) 11.931======================= Grid point 56 (26/213) =======================q-point: ( 0.38 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.216 ( -0.481 10.000 2.105) 10.230 3.353 ( 2.099 2.461 -2.843) 4.306 3.555 ( -0.979 -2.126 1.179) 2.621 4.499 ( -10.034 17.617 0.847) 20.292 5.404 ( 3.186 0.211 -1.198) 3.410 5.626 ( 6.638 -4.188 -0.263) 7.853 7.090 ( -1.418 6.583 -0.038) 6.734 7.569 ( 0.277 -2.815 -1.175) 3.063 7.881 ( 1.618 -1.212 0.125) 2.025 10.611 ( -3.279 -1.011 -0.028) 3.431 11.116 ( 3.952 -1.431 -0.205) 4.208 11.554 ( -1.659 -11.426 0.270) 11.549 14.554 ( -1.584 8.717 0.284) 8.865 15.654 ( -4.792 3.870 -1.794) 6.415 16.167 ( 5.306 -7.697 2.122) 9.586======================= Grid point 70 (27/213) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.080 ( 5.974 10.348 0.000) 11.949 3.225 ( 7.174 12.425 0.000) 14.347 3.605 ( -2.433 -4.214 0.000) 4.866 4.677 ( 5.220 9.041 0.000) 10.440 5.180 ( 3.612 6.256 0.000) 7.224 5.437 ( 3.615 6.262 0.000) 7.230 7.039 ( 4.043 7.002 0.000) 8.086 7.604 ( -1.832 -3.174 0.000) 3.665 7.830 ( 0.774 1.340 0.000) 1.547 10.776 ( -4.498 -7.791 0.000) 8.997 11.030 ( -0.253 -0.438 0.000) 0.506 11.763 ( -9.140 -15.831 0.000) 18.281 14.475 ( 5.138 8.900 0.000) 10.277 15.890 ( 1.376 2.384 0.000) 2.752 15.971 ( -3.322 -5.754 0.000) 6.644======================= Grid point 71 (28/213) =======================q-point: ( 0.31 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.249 ( 4.354 6.922 1.541) 8.321 3.410 ( 0.139 8.564 -3.254) 9.162 3.530 ( 0.099 -3.879 1.921) 4.330 4.803 ( -4.400 15.372 1.212) 16.035 5.311 ( 7.377 0.492 -1.948) 7.646 5.507 ( 2.250 -2.059 0.434) 3.081 7.159 ( 1.652 7.079 0.006) 7.269 7.535 ( -1.236 -4.739 -0.678) 4.944 7.857 ( 1.004 0.649 0.085) 1.199 10.647 ( -3.458 -3.778 -0.023) 5.122 11.058 ( 2.620 1.344 -0.107) 2.947 11.494 ( -5.546 -12.984 0.147) 14.120 14.633 ( 2.552 8.663 0.208) 9.034 15.801 ( -8.297 2.811 -3.086) 9.288 15.989 ( 6.787 -7.071 3.209) 10.313======================= Grid point 72 (29/213) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.362 ( -0.293 0.507 -0.000) 0.586 3.379 ( -2.887 5.001 0.000) 5.774 3.544 ( -0.263 0.455 0.000) 0.526 4.839 ( -9.436 16.344 0.000) 18.873 5.395 ( 0.792 -1.372 -0.000) 1.584 5.499 ( 4.553 -7.887 0.000) 9.107 7.213 ( -3.367 5.832 0.000) 6.735 7.495 ( 2.559 -4.433 -0.000) 5.119 7.869 ( 0.071 -0.123 0.000) 0.142 10.598 ( 0.212 -0.368 0.000) 0.424 11.105 ( -0.234 0.405 0.000) 0.467 11.364 ( 4.440 -7.690 -0.000) 8.880 14.702 ( -3.374 5.844 -0.000) 6.749 15.739 ( -2.845 4.928 0.000) 5.691 16.013 ( 4.540 -7.863 0.000) 9.079======================= Grid point 88 (30/213) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.356 ( 2.496 4.324 0.000) 4.992 3.439 ( -1.962 -3.398 0.000) 3.924 3.550 ( 1.871 3.241 0.000) 3.743 5.053 ( 4.941 8.557 0.000) 9.881 5.328 ( 1.260 2.183 0.000) 2.520 5.420 ( -3.499 -6.060 0.000) 6.998 7.288 ( 3.365 5.829 0.000) 6.730 7.432 ( -3.035 -5.256 0.000) 6.070 7.869 ( 0.248 0.430 0.000) 0.496 10.595 ( -0.830 -1.437 0.000) 1.660 11.118 ( 2.626 4.548 0.000) 5.252 11.279 ( -4.960 -8.591 0.000) 9.920 14.762 ( 2.201 3.813 0.000) 4.403 15.829 ( 0.047 0.082 0.000) 0.094 15.891 ( -1.313 -2.274 0.000) 2.626======================= Grid point 271 (31/213) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 204Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( 0.000 0.000 31.000) 31.000 0.615 ( 0.000 0.000 31.000) 31.000 0.982 ( -0.000 -0.000 49.950) 49.950 3.170 ( 0.000 -0.000 -4.927) 4.927 3.170 ( -0.000 0.000 -4.927) 4.927 5.615 ( 0.000 0.000 -12.185) 12.185 6.266 ( 0.000 -0.000 -0.306) 0.306 6.266 ( 0.000 0.000 -0.306) 0.306 10.068 ( 0.000 0.000 1.608) 1.608 11.874 ( -0.000 0.000 2.471) 2.471 11.874 ( 0.000 0.000 2.471) 2.471 13.971 ( 0.000 -0.000 -1.767) 1.767 13.971 ( 0.000 -0.000 -1.767) 1.767 14.506 ( 0.000 0.000 -0.430) 0.430 16.706 ( -0.000 0.000 0.505) 0.505======================= Grid point 272 (32/213) =======================q-point: ( 0.06 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.736 ( 17.006 9.818 18.034) 26.661 0.785 ( 12.612 7.281 24.954) 28.892 1.453 ( 31.373 18.113 34.661) 50.138 3.181 ( 1.311 0.757 -5.219) 5.434 3.287 ( 9.787 5.651 -4.194) 12.054 5.564 ( -4.102 -2.368 -11.709) 12.631 6.281 ( 1.470 0.849 -0.423) 1.750 6.607 ( 20.500 11.836 -19.593) 30.728 8.804 ( -49.774 -28.737 42.484) 71.471 11.827 ( -3.273 -1.890 1.489) 4.062 12.702 ( 14.210 8.204 -19.224) 25.274 13.854 ( -5.746 -3.318 -9.566) 11.642 13.982 ( 0.223 0.129 -0.911) 0.947 14.617 ( 8.156 4.709 3.136) 9.926 16.414 ( -9.306 -5.373 16.741) 19.893======================= Grid point 273 (33/213) =======================q-point: ( 0.12 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 17.207 9.935 17.125) 26.231 1.235 ( 24.198 13.971 4.135) 28.246 2.223 ( 35.641 20.578 21.006) 46.206 3.227 ( 2.724 1.573 -5.307) 6.169 3.592 ( 16.606 9.588 -2.720) 19.367 5.434 ( -7.360 -4.250 -10.205) 13.281 6.332 ( 3.034 1.752 -0.596) 3.553 7.010 ( 15.119 8.729 -21.260) 27.509 8.082 ( -19.645 -11.342 20.737) 30.735 11.724 ( -5.927 -3.422 0.413) 6.856 12.490 ( -21.844 -12.612 5.878) 25.899 13.704 ( -9.789 -5.651 -19.039) 22.141 13.986 ( 0.248 0.143 -0.040) 0.289 14.860 ( 12.289 7.095 6.172) 15.475 16.395 ( 4.256 2.457 11.158) 12.192======================= Grid point 274 (34/213) =======================q-point: ( 0.19 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 18.718 10.807 11.749) 24.600 1.765 ( 22.333 12.894 0.997) 25.808 3.027 ( 35.031 20.225 10.397) 41.765 3.301 ( 3.758 2.169 -5.191) 6.766 4.007 ( 19.594 11.313 -0.527) 22.631 5.239 ( -9.608 -5.547 -7.805) 13.564 6.417 ( 4.417 2.550 -0.819) 5.165 7.304 ( 11.150 6.437 -15.968) 20.512 7.773 ( -9.386 -5.419 3.999) 11.553 11.558 ( -8.847 -5.108 -0.318) 10.220 11.971 ( -22.053 -12.732 8.011) 26.695 13.418 ( -14.815 -8.554 -14.126) 22.186 14.000 ( 1.177 0.679 0.566) 1.472 15.113 ( 9.515 5.493 4.487) 11.868 16.509 ( 4.900 2.829 8.918) 10.561======================= Grid point 275 (35/213) =======================q-point: ( 0.25 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( 18.185 10.499 7.879) 22.427 2.234 ( 19.231 11.103 0.173) 22.206 3.394 ( 4.446 2.567 -4.728) 6.979 3.765 ( 28.932 16.704 2.774) 33.523 4.447 ( 18.829 10.871 1.970) 21.831 5.029 ( -7.699 -4.445 -5.173) 10.286 6.528 ( 5.293 3.056 -1.078) 6.206 7.510 ( 5.874 3.392 -9.492) 11.667 7.631 ( -2.225 -1.285 -6.393) 6.890 11.328 ( -11.327 -6.540 -0.444) 13.087 11.544 ( -15.387 -8.884 4.999) 18.457 13.058 ( -16.847 -9.727 -8.849) 21.372 14.042 ( 2.548 1.471 0.765) 3.040 15.282 ( 5.626 3.248 2.623) 7.006 16.595 ( 2.487 1.436 8.016) 8.515======================= Grid point 276 (36/213) =======================q-point: ( 0.31 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.343 ( 15.443 8.916 4.484) 18.387 2.636 ( 16.459 9.502 -0.377) 19.008 3.500 ( 4.879 2.817 -3.555) 6.661 4.187 ( 4.608 2.660 -1.513) 5.532 4.838 ( 16.257 9.386 -0.407) 18.777 5.025 ( 10.306 5.950 1.356) 11.977 6.649 ( 5.356 3.093 -1.336) 6.328 7.514 ( -1.423 -0.821 -6.129) 6.345 7.721 ( 6.061 3.499 -8.988) 11.391 11.059 ( -12.201 -7.044 -0.042) 14.089 11.283 ( -7.769 -4.486 1.775) 9.145 12.669 ( -17.403 -10.048 -4.897) 20.684 14.111 ( 3.462 1.999 0.639) 4.048 15.377 ( 3.055 1.764 1.276) 3.751 16.619 ( -0.291 -0.168 6.668) 6.677======================= Grid point 277 (37/213) =======================q-point: ( 0.38 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( 10.578 6.107 0.901) 12.248 2.980 ( 14.106 8.144 -0.927) 16.315 3.611 ( 4.903 2.831 -1.372) 5.825 4.064 ( -11.032 -6.369 -2.202) 12.927 5.170 ( 12.027 6.944 -2.657) 14.140 5.391 ( 18.346 10.592 5.370) 21.854 6.762 ( 4.467 2.579 -1.529) 5.380 7.508 ( 0.967 0.558 -4.137) 4.285 7.841 ( 4.443 2.565 -6.986) 8.668 10.797 ( -10.540 -6.086 0.578) 12.185 11.186 ( -1.112 -0.642 -0.682) 1.454 12.284 ( -16.433 -9.488 -2.484) 19.137 14.190 ( 3.262 1.883 0.376) 3.785 15.432 ( 2.002 1.156 0.729) 2.424 16.585 ( -2.565 -1.481 4.451) 5.346======================= Grid point 278 (38/213) =======================q-point: ( 0.44 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( 4.570 2.638 -2.487) 5.834 3.270 ( 11.525 6.654 -2.205) 13.489 3.713 ( 3.881 2.241 1.256) 4.654 3.789 ( -12.427 -7.174 -1.862) 14.469 5.375 ( 6.229 3.596 -0.509) 7.211 5.747 ( 12.117 6.996 4.958) 14.844 6.844 ( 2.674 1.544 -1.578) 3.468 7.554 ( 2.949 1.703 0.191) 3.411 7.919 ( 2.503 1.445 -5.823) 6.501 10.604 ( -6.193 -3.576 1.083) 7.233 11.218 ( 3.405 1.966 -2.134) 4.474 11.948 ( -12.704 -7.335 -1.497) 14.746 14.250 ( 1.884 1.087 0.108) 2.178 15.475 ( 1.899 1.097 1.106) 2.456 16.510 ( -3.919 -2.263 1.363) 4.726======================= Grid point 279 (39/213) =======================q-point: (-0.50 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( -1.348 -0.778 -4.464) 4.728 3.434 ( -3.825 -2.208 -9.092) 10.108 3.584 ( 1.101 0.636 3.349) 3.582 3.776 ( 1.506 0.870 3.069) 3.528 5.453 ( 0.756 0.436 0.432) 0.974 5.914 ( 2.485 1.435 6.291) 6.915 6.878 ( 0.236 0.136 -1.449) 1.474 7.631 ( 3.573 2.063 4.220) 5.902 7.954 ( 0.602 0.348 -4.990) 5.038 10.532 ( -0.017 -0.010 1.259) 1.259 11.286 ( 0.752 0.434 -2.287) 2.446 11.771 ( -0.926 -0.535 -1.734) 2.037 14.269 ( -0.231 -0.134 -0.121) 0.293 15.519 ( 1.973 1.139 2.399) 3.309 16.416 ( -4.257 -2.458 -2.348) 5.448======================= Grid point 281 (40/213) =======================q-point: (-0.44 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.755 ( -6.686 -3.860 -4.432) 8.902 3.210 ( -11.454 -6.613 -5.686) 14.396 3.722 ( 6.331 3.655 -2.722) 7.801 3.777 ( -1.411 -0.814 3.508) 3.867 5.412 ( -4.226 -2.440 0.859) 4.955 5.860 ( -7.069 -4.081 8.845) 12.036 6.854 ( -2.322 -1.340 -1.199) 2.937 7.702 ( 2.464 1.423 5.527) 6.216 7.950 ( -0.794 -0.459 -3.757) 3.867 10.605 ( 6.304 3.640 1.105) 7.363 11.235 ( -3.427 -1.978 -1.520) 4.239 11.927 ( 12.980 7.494 -2.274) 15.160 14.239 ( -2.382 -1.375 -0.327) 2.770 15.560 ( 1.552 0.896 4.547) 4.888 16.324 ( -3.831 -2.212 -6.293) 7.693======================= Grid point 282 (41/213) =======================q-point: (-0.38 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.550 ( -11.299 -6.524 -2.602) 13.304 2.942 ( -12.464 -7.196 -3.586) 14.832 3.716 ( -3.840 -2.217 2.773) 5.229 3.823 ( 2.096 1.210 -8.119) 8.472 5.264 ( -9.173 -5.296 0.699) 10.616 5.620 ( -13.105 -7.566 12.334) 19.522 6.777 ( -4.353 -2.513 -0.940) 5.114 7.729 ( -0.329 -0.190 2.931) 2.955 7.926 ( -1.159 -0.669 -1.424) 1.954 10.804 ( 11.015 6.360 0.858) 12.748 11.198 ( 0.898 0.518 -0.286) 1.075 12.290 ( 18.416 10.632 -2.300) 21.389 14.167 ( -3.863 -2.230 -0.558) 4.495 15.582 ( 0.253 0.146 7.430) 7.436 16.245 ( -3.228 -1.864 -10.002) 10.674======================= Grid point 283 (42/213) =======================q-point: (-0.31 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( -14.951 -8.632 0.513) 17.271 2.637 ( -14.887 -8.595 -1.264) 17.236 3.611 ( -5.266 -3.040 1.283) 6.214 3.784 ( -6.419 -3.706 -11.513) 13.693 4.960 ( -18.424 -10.637 1.946) 21.363 5.361 ( -7.687 -4.438 12.126) 15.027 6.665 ( -5.414 -3.126 -0.728) 6.294 7.685 ( -3.572 -2.062 -1.060) 4.258 7.901 ( -1.017 -0.587 0.221) 1.195 11.081 ( 13.050 7.534 0.851) 15.093 11.294 ( 7.744 4.471 2.048) 9.174 12.735 ( 20.667 11.932 -2.592) 24.005 14.074 ( -4.165 -2.405 -0.897) 4.893 15.564 ( -1.978 -1.142 10.780) 11.019 16.174 ( -3.181 -1.836 -12.906) 13.418======================= Grid point 284 (43/213) =======================q-point: (-0.25 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( -17.347 -10.015 4.434) 20.515 2.262 ( -18.535 -10.701 0.619) 21.411 3.487 ( -5.609 -3.239 -0.506) 6.497 3.502 ( -18.926 -10.927 -6.412) 22.775 4.477 ( -22.837 -13.185 2.607) 26.499 5.288 ( 0.569 0.329 5.082) 5.124 6.541 ( -5.407 -3.122 -0.549) 6.267 7.566 ( -7.119 -4.110 -5.369) 9.818 7.891 ( 0.538 0.310 1.900) 1.999 11.371 ( 12.235 7.064 1.296) 14.187 11.548 ( 14.672 8.471 4.722) 17.587 13.207 ( 20.921 12.079 -3.643) 24.430 13.989 ( -3.161 -1.825 -1.406) 3.912 15.485 ( -5.288 -3.053 14.138) 15.400 16.096 ( -3.759 -2.170 -14.192) 14.841======================= Grid point 285 (44/213) =======================q-point: (-0.19 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -18.181 -10.497 9.080) 22.873 1.799 ( -22.391 -12.927 1.964) 25.929 2.946 ( -29.540 -17.055 6.635) 34.749 3.365 ( -5.020 -2.898 -2.181) 6.193 3.979 ( -20.727 -11.967 -1.204) 23.964 5.354 ( 4.604 2.658 -2.710) 5.967 6.428 ( -4.538 -2.620 -0.394) 5.255 7.359 ( -11.310 -6.530 -12.126) 17.821 7.949 ( 5.278 3.047 8.441) 10.411 11.616 ( 9.239 5.334 2.088) 10.871 11.942 ( 19.725 11.389 5.649) 23.467 13.659 ( 18.572 10.723 -6.258) 22.340 13.938 ( -1.299 -0.750 -2.002) 2.501 15.311 ( -10.543 -6.087 15.551) 19.749 16.015 ( -2.838 -1.639 -10.968) 11.447======================= Grid point 286 (45/213) =======================q-point: (-0.12 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( -16.918 -9.767 15.189) 24.745 1.265 ( -24.432 -14.106 5.259) 28.698 2.216 ( -34.072 -19.671 20.572) 44.397 3.265 ( -3.763 -2.172 -3.489) 5.572 3.560 ( -16.148 -9.323 -4.078) 19.087 5.469 ( 5.110 2.951 -8.497) 10.345 6.340 ( -3.175 -1.833 -0.287) 3.678 7.051 ( -16.183 -9.344 -19.851) 27.263 8.173 ( 16.279 9.399 22.661) 29.442 11.781 ( 5.390 3.112 2.798) 6.824 12.399 ( 19.246 11.112 0.949) 22.243 13.929 ( 0.415 0.240 -2.401) 2.449 14.000 ( 10.071 5.815 -12.145) 16.815 14.997 ( -17.014 -9.823 11.332) 22.680 16.016 ( 4.442 2.564 2.755) 5.822======================= Grid point 287 (46/213) =======================q-point: (-0.06 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.748 ( -11.663 -6.733 24.157) 27.657 0.761 ( -17.249 -9.959 18.992) 27.521 1.460 ( -31.511 -18.193 34.651) 50.246 3.198 ( -2.130 -1.230 -4.379) 5.023 3.270 ( -9.030 -5.214 -5.003) 11.565 5.569 ( 3.482 2.010 -11.457) 12.142 6.286 ( -1.644 -0.949 -0.256) 1.915 6.619 ( -21.751 -12.558 -19.886) 32.036 8.829 ( 47.406 27.370 42.393) 69.236 11.862 ( 1.921 1.109 2.972) 3.708 12.622 ( -9.295 -5.366 -19.772) 22.497 13.948 ( 1.101 0.636 -2.329) 2.654 14.027 ( -6.671 -3.852 -11.528) 13.865 14.637 ( -11.472 -6.624 3.287) 13.649 16.292 ( 20.958 12.100 18.954) 30.739======================= Grid point 289 (47/213) =======================q-point: ( 0.06 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( 11.627 15.954 17.667) 26.492 1.105 ( 12.599 24.319 7.183) 28.315 2.007 ( 19.832 34.425 24.288) 46.565 3.232 ( 0.636 4.012 -4.626) 6.156 3.478 ( 9.499 13.835 -3.731) 17.192 5.488 ( -4.183 -5.170 -10.162) 12.144 6.320 ( 1.345 2.928 -0.368) 3.243 6.931 ( 8.585 17.847 -21.784) 29.441 8.250 ( -16.172 -21.667 27.412) 38.502 11.786 ( -4.688 -3.425 1.638) 6.032 12.568 ( -5.480 -18.957 -0.187) 19.734 13.786 ( -11.691 -5.656 -9.040) 15.824 14.057 ( -2.591 2.092 -8.314) 8.956 14.842 ( 4.807 17.892 7.010) 19.808 16.221 ( 10.770 -9.650 10.887) 18.101======================= Grid point 290 (48/213) =======================q-point: ( 0.12 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( 14.515 16.763 13.061) 25.735 1.589 ( 17.074 20.818 1.791) 26.983 2.725 ( 27.267 28.840 13.090) 41.793 3.298 ( 1.658 5.566 -4.722) 7.484 3.835 ( 15.222 15.136 -1.472) 21.516 5.332 ( -7.617 -5.876 -7.885) 12.438 6.389 ( 2.824 3.971 -0.544) 4.904 7.220 ( 8.482 11.517 -17.241) 22.402 7.889 ( -11.016 -7.617 9.738) 16.559 11.644 ( -7.092 -5.295 0.200) 8.853 12.160 ( -16.870 -19.189 7.961) 26.761 13.499 ( -10.726 -13.523 -11.798) 20.907 14.030 ( -1.854 1.638 -2.692) 3.655 15.095 ( 4.791 15.320 5.436) 16.947 16.360 ( 11.563 -4.502 7.339) 14.417======================= Grid point 291 (49/213) =======================q-point: ( 0.19 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( 15.061 16.720 9.309) 24.352 2.060 ( 16.716 16.511 0.559) 23.502 3.366 ( 7.009 7.224 -3.401) 10.624 3.482 ( 23.441 22.019 2.705) 32.274 4.260 ( 17.159 14.404 1.495) 22.453 5.130 ( -9.094 -5.115 -5.290) 11.699 6.490 ( 3.909 4.895 -0.770) 6.311 7.443 ( 6.986 7.104 -11.857) 15.487 7.695 ( -6.550 -2.191 -1.716) 7.117 11.442 ( -9.565 -7.058 -0.469) 11.896 11.711 ( -16.218 -13.132 6.534) 21.867 13.164 ( -11.641 -16.167 -9.127) 21.913 14.038 ( 0.567 2.368 -0.450) 2.476 15.285 ( 2.291 11.007 3.049) 11.649 16.489 ( 8.384 -4.197 7.278) 11.869======================= Grid point 292 (50/213) =======================q-point: ( 0.25 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.217 ( 13.646 15.482 6.140) 21.532 2.474 ( 15.214 12.953 -0.043) 19.982 3.481 ( 2.762 5.968 -4.063) 7.731 4.070 ( 17.729 13.324 -2.161) 22.283 4.668 ( 15.273 11.437 3.757) 19.447 4.989 ( -1.369 1.276 -2.337) 2.995 6.611 ( 4.260 5.468 -1.037) 7.009 7.539 ( -1.343 0.262 -6.013) 6.167 7.669 ( 3.629 4.158 -8.744) 10.340 11.194 ( -11.186 -7.061 -0.573) 13.241 11.376 ( -10.723 -8.232 3.420) 13.944 12.796 ( -12.969 -16.220 -5.598) 21.509 14.092 ( 2.309 3.523 0.290) 4.222 15.392 ( 0.159 7.351 1.207) 7.451 16.557 ( 4.858 -4.898 6.926) 9.775======================= Grid point 293 (51/213) =======================q-point: ( 0.31 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.560 ( 9.987 13.050 2.933) 16.692 2.830 ( 13.690 10.064 -0.612) 17.002 3.584 ( 2.944 5.110 -2.479) 6.397 4.199 ( -7.330 0.267 -2.631) 7.792 5.014 ( 14.725 8.219 -2.415) 17.036 5.200 ( 15.455 10.748 4.916) 19.457 6.734 ( 3.680 5.498 -1.291) 6.740 7.514 ( -0.895 0.816 -5.361) 5.496 7.786 ( 4.798 2.943 -6.936) 8.932 10.933 ( -11.884 -5.873 -0.046) 13.256 11.196 ( -3.280 -4.463 0.582) 5.570 12.417 ( -13.424 -15.125 -2.908) 20.430 14.176 ( 2.550 4.680 0.388) 5.344 15.445 ( -0.554 4.714 0.239) 4.752 16.560 ( 1.698 -5.534 5.514) 7.994======================= Grid point 294 (52/213) =======================q-point: ( 0.38 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.796 ( 4.501 9.733 -0.495) 10.735 3.133 ( 12.093 7.218 -1.300) 14.143 3.667 ( 2.194 1.307 0.128) 2.557 4.006 ( -13.640 2.330 -2.170) 14.006 5.283 ( 9.346 4.689 -1.636) 10.583 5.577 ( 15.744 7.775 4.908) 18.232 6.836 ( 2.161 4.914 -1.451) 5.561 7.533 ( 1.491 1.802 -2.006) 3.082 7.878 ( 3.602 1.136 -5.517) 6.686 10.700 ( -9.249 -3.895 0.600) 10.054 11.166 ( 2.667 -1.365 -1.354) 3.288 12.061 ( -12.015 -12.890 -1.481) 17.684 14.259 ( 1.134 5.227 0.207) 5.353 15.476 ( -0.005 3.099 0.300) 3.114 16.512 ( -0.688 -5.797 3.012) 6.569======================= Grid point 295 (53/213) =======================q-point: ( 0.44 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.899 ( -1.481 6.219 -3.201) 7.149 3.368 ( 8.590 2.750 -3.608) 9.714 3.625 ( -4.924 -4.593 1.883) 6.992 3.883 ( -7.331 10.533 -0.415) 12.839 5.424 ( 3.792 1.466 -0.147) 4.069 5.833 ( 8.455 1.606 5.183) 10.046 6.897 ( -0.128 3.745 -1.447) 4.017 7.593 ( 3.123 2.040 2.280) 4.372 7.929 ( 2.049 -0.412 -4.637) 5.086 10.563 ( -3.897 -0.682 0.958) 4.071 11.232 ( 4.826 -0.663 -2.099) 5.305 11.791 ( -6.003 -8.173 -1.259) 10.219 14.307 ( -1.364 4.678 -0.070) 4.874 15.511 ( 0.962 2.607 1.343) 3.086 16.431 ( -2.029 -5.716 -0.326) 6.074======================= Grid point 296 (54/213) =======================q-point: (-0.50 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.872 ( -7.045 3.279 -3.995) 8.737 3.334 ( -9.301 -5.333 -5.389) 12.000 3.623 ( 5.958 1.375 1.444) 6.283 3.889 ( -5.144 9.837 0.641) 11.120 5.444 ( -1.448 -1.223 0.587) 1.984 5.884 ( -0.813 -4.478 6.981) 8.334 6.901 ( -2.752 2.164 -1.269) 3.724 7.667 ( 3.240 1.409 4.886) 6.030 7.940 ( 0.547 -1.642 -3.719) 4.102 10.563 ( 2.552 3.083 0.966) 4.117 11.245 ( -1.058 -4.183 -1.617) 4.608 11.775 ( 9.094 0.676 -1.882) 9.311 14.300 ( -3.878 3.052 -0.328) 4.946 15.559 ( 1.209 3.235 3.206) 4.712 16.338 ( -2.280 -5.515 -4.090) 7.234======================= Grid point 297 (55/213) =======================q-point: (-0.44 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.729 ( -12.292 1.170 -2.737) 12.647 3.092 ( -12.410 -5.207 -3.925) 14.019 3.707 ( 2.704 -1.633 0.081) 3.160 3.894 ( -4.825 8.765 -3.105) 10.476 5.356 ( -6.338 -3.136 0.853) 7.122 5.727 ( -9.168 -9.313 9.968) 16.436 6.848 ( -5.057 0.569 -1.006) 5.188 7.717 ( 1.527 -0.102 3.909) 4.198 7.921 ( -0.235 -2.302 -1.985) 3.049 10.703 ( 8.228 6.242 0.723) 10.353 11.181 ( -0.359 -3.254 -0.849) 3.382 12.048 ( 18.237 4.534 -1.982) 18.897 14.239 ( -5.492 1.093 -0.546) 5.626 15.609 ( -0.085 4.481 5.828) 7.352 16.250 ( -1.704 -5.363 -7.880) 9.683======================= Grid point 298 (56/213) =======================q-point: (-0.38 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.483 ( -17.015 -0.585 -0.104) 17.025 2.814 ( -14.319 -5.770 -2.195) 15.593 3.676 ( -3.743 -1.740 0.655) 4.180 3.881 ( -5.763 4.471 -9.781) 12.201 5.156 ( -13.649 -5.627 0.746) 14.782 5.442 ( -10.290 -10.217 12.968) 19.453 6.748 ( -6.503 -0.637 -0.766) 6.578 7.708 ( -1.419 -1.886 0.157) 2.365 7.893 ( -0.237 -2.639 -0.065) 2.651 10.945 ( 11.665 7.579 0.445) 13.918 11.205 ( 5.476 0.407 0.882) 5.562 12.442 ( 22.375 4.642 -2.042) 22.942 14.145 ( -5.808 -0.154 -0.838) 5.871 15.633 ( -2.982 5.260 9.091) 10.918 16.177 ( -1.007 -4.857 -11.178) 12.229======================= Grid point 299 (57/213) =======================q-point: (-0.31 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.151 ( -20.383 -2.051 3.232) 20.740 2.486 ( -17.635 -6.556 -0.239) 18.816 3.568 ( -6.593 -1.900 -0.583) 6.886 3.734 ( -14.920 -0.663 -10.407) 18.203 4.756 ( -22.911 -9.791 3.651) 25.182 5.270 ( -1.278 -4.885 8.367) 9.772 6.623 ( -6.849 -1.261 -0.574) 6.988 7.633 ( -4.732 -2.971 -3.253) 6.465 7.865 ( 0.508 -3.117 0.198) 3.164 11.221 ( 12.630 5.947 0.456) 13.968 11.384 ( 12.461 5.011 3.611) 13.908 12.876 ( 24.387 2.335 -2.724) 24.649 14.053 ( -4.798 0.195 -1.360) 4.991 15.599 ( -6.775 3.873 11.948) 14.271 16.121 ( -1.348 -2.493 -12.580) 12.895======================= Grid point 300 (58/213) =======================q-point: (-0.25 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( -22.114 -2.606 7.083) 23.366 2.084 ( -22.108 -7.002 1.118) 23.217 3.315 ( -25.748 -6.864 -1.523) 26.691 3.458 ( -8.949 -0.492 -1.800) 9.141 4.261 ( -23.764 -8.353 1.692) 25.246 5.276 ( 4.915 -1.650 0.801) 5.246 6.499 ( -6.181 -1.311 -0.425) 6.332 7.484 ( -9.134 -3.891 -8.324) 12.956 7.868 ( 3.882 -2.685 2.959) 5.571 11.479 ( 11.943 3.526 1.019) 12.495 11.708 ( 18.289 7.338 5.915) 20.575 13.292 ( 24.280 -2.699 -4.374) 24.818 14.000 ( -2.557 2.544 -2.293) 4.274 15.467 ( -10.972 -0.709 12.458) 16.616 16.087 ( -2.961 3.252 -9.732) 10.680======================= Grid point 301 (59/213) =======================q-point: (-0.19 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( -22.094 -1.578 11.726) 25.063 1.607 ( -26.371 -5.972 2.398) 27.145 2.701 ( -36.671 -6.605 11.930) 39.124 3.329 ( -5.885 -1.414 -3.322) 6.904 3.816 ( -21.234 -4.035 -2.099) 21.716 5.375 ( 7.235 -0.623 -5.921) 9.370 6.394 ( -4.833 -0.934 -0.345) 4.934 7.248 ( -14.065 -4.161 -15.617) 21.425 7.966 ( 11.066 -1.641 11.657) 16.157 11.677 ( 8.759 0.615 1.517) 8.911 12.132 ( 22.803 7.067 6.048) 24.627 13.614 ( 19.535 -8.608 -6.760) 22.392 14.023 ( 1.075 4.125 -4.571) 6.250 15.205 ( -16.045 -6.017 10.052) 19.867 16.100 ( -3.034 11.036 -1.235) 11.512======================= Grid point 306 (60/213) =======================q-point: ( 0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 12.901 19.762 9.252) 25.349 2.005 ( 11.285 21.028 0.994) 23.885 3.269 ( 16.736 23.628 1.294) 28.984 3.447 ( 5.224 10.907 -2.707) 12.393 4.177 ( 11.620 19.765 1.508) 22.977 5.222 ( -7.242 -4.787 -3.039) 9.198 6.485 ( 3.035 5.753 -0.428) 6.518 7.430 ( 4.065 9.532 -10.931) 15.062 7.791 ( -6.985 -2.441 1.721) 7.596 11.502 ( -6.735 -9.423 0.104) 11.583 11.792 ( -10.080 -17.736 6.878) 21.529 13.205 ( -13.830 -16.512 -6.435) 22.480 14.042 ( 1.301 0.413 -2.396) 2.757 15.394 ( 0.963 14.193 5.139) 15.125 16.258 ( 11.445 -5.457 1.853) 12.814======================= Grid point 307 (61/213) =======================q-point: ( 0.19 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 12.652 19.168 7.112) 24.043 2.386 ( 11.911 16.344 0.306) 20.227 3.503 ( 2.598 6.967 -3.733) 8.321 3.897 ( 19.859 18.399 -5.699) 27.666 4.568 ( 12.305 17.144 5.953) 21.926 5.064 ( -6.475 -0.920 -0.917) 6.604 6.605 ( 3.795 6.713 -0.586) 7.734 7.553 ( 1.513 3.687 -6.732) 7.823 7.699 ( -2.791 2.592 -4.752) 6.090 11.279 ( -8.118 -9.308 -0.526) 12.362 11.472 ( -10.700 -11.476 4.365) 16.286 12.822 ( -11.497 -18.355 -4.578) 22.137 14.088 ( 2.337 3.107 -0.874) 3.985 15.507 ( -2.153 11.160 1.247) 11.434 16.369 ( 9.210 -7.621 4.703) 12.846======================= Grid point 308 (62/213) =======================q-point: ( 0.25 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.545 ( 10.091 17.544 4.861) 20.814 2.725 ( 11.526 12.493 -0.367) 17.002 3.598 ( 1.765 4.974 -2.997) 6.069 4.270 ( 5.329 8.003 -7.213) 12.020 4.882 ( 9.283 10.273 5.213) 14.795 5.098 ( 8.103 9.356 1.481) 12.466 6.737 ( 3.580 7.255 -0.808) 8.131 7.550 ( -2.129 1.016 -5.557) 6.037 7.751 ( 2.888 3.794 -5.119) 6.996 11.056 ( -9.196 -7.026 -1.104) 11.626 11.221 ( -6.844 -7.643 2.165) 10.485 12.454 ( -10.907 -18.277 -2.437) 21.423 14.180 ( 3.256 5.504 -0.033) 6.395 15.547 ( -3.876 8.074 -0.899) 9.001 16.421 ( 6.311 -8.610 5.462) 11.991======================= Grid point 309 (63/213) =======================q-point: ( 0.31 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.838 ( 5.393 14.942 2.228) 16.041 3.017 ( 10.593 8.860 -1.118) 13.855 3.655 ( 1.114 1.178 -0.717) 1.773 4.266 ( -10.267 7.681 -3.072) 13.185 5.151 ( 11.829 5.752 -1.832) 13.280 5.400 ( 13.733 8.912 4.868) 17.080 6.860 ( 2.323 7.213 -1.020) 7.646 7.540 ( -0.361 1.487 -3.581) 3.894 7.831 ( 3.181 1.695 -3.747) 5.199 10.826 ( -10.175 -5.218 -0.368) 11.441 11.113 ( 0.318 -3.832 -0.178) 3.849 12.102 ( -10.214 -16.629 -0.993) 19.541 14.294 ( 2.443 7.352 0.210) 7.750 15.547 ( -3.569 5.429 -1.324) 6.630 16.417 ( 3.410 -8.720 4.228) 10.273======================= Grid point 310 (64/213) =======================q-point: ( 0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.007 ( -0.731 11.455 -0.904) 11.514 3.252 ( 9.041 4.836 -1.556) 10.370 3.645 ( -1.760 -2.365 2.246) 3.706 4.173 ( -11.644 13.337 -2.353) 17.861 5.352 ( 6.971 2.366 -1.322) 7.480 5.677 ( 11.432 2.149 4.327) 12.411 6.949 ( 0.113 6.495 -1.153) 6.597 7.567 ( 1.868 1.279 0.043) 2.264 7.887 ( 2.361 0.007 -2.822) 3.680 10.641 ( -6.632 -2.326 0.159) 7.030 11.135 ( 4.700 -1.702 -1.289) 5.162 11.801 ( -7.343 -13.274 -0.557) 15.180 14.389 ( -0.473 7.921 0.007) 7.935 15.546 ( -1.581 3.963 -0.323) 4.279 16.370 ( 1.057 -8.402 1.596) 8.617======================= Grid point 311 (65/213) =======================q-point: ( 0.44 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.040 ( -6.105 7.591 -2.857) 10.152 3.384 ( 1.010 0.061 -2.079) 2.313 3.580 ( -1.073 -0.813 3.073) 3.355 4.138 ( -9.465 14.989 -2.076) 17.849 5.435 ( 1.710 -0.222 -0.126) 1.729 5.805 ( 4.705 -4.523 4.865) 8.140 6.984 ( -2.702 5.016 -1.146) 5.812 7.621 ( 3.272 0.460 2.976) 4.447 7.910 ( 1.044 -1.274 -1.982) 2.577 10.572 ( -0.740 1.353 0.343) 1.580 11.191 ( 2.727 -3.410 -1.175) 4.522 11.647 ( 2.706 -6.346 -1.033) 6.976 14.421 ( -4.350 6.553 -0.378) 7.874 15.579 ( 0.751 4.504 1.568) 4.828 16.294 ( -0.393 -8.113 -1.711) 8.301======================= Grid point 313 (66/213) =======================q-point: (-0.50 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.960 ( -10.486 5.013 -2.228) 11.834 3.260 ( -11.446 -1.946 -1.367) 11.690 3.629 ( 4.679 -0.615 0.515) 4.747 4.124 ( -9.016 13.598 -3.118) 16.611 5.411 ( -3.054 -2.015 0.727) 3.731 5.744 ( -3.664 -9.588 6.805) 12.315 6.955 ( -5.357 3.091 -0.964) 6.260 7.675 ( 2.928 -0.831 3.028) 4.293 7.900 ( -0.092 -2.117 -0.735) 2.243 10.643 ( 5.422 4.672 0.229) 7.160 11.148 ( -0.794 -5.113 -0.736) 5.226 11.783 ( 15.153 -0.048 -1.285) 15.208 14.372 ( -7.147 3.901 -0.625) 8.166 15.655 ( 1.390 6.780 3.962) 7.974 16.204 ( -0.739 -8.162 -5.168) 9.689======================= Grid point 314 (67/213) =======================q-point: (-0.44 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.783 ( -15.482 3.660 0.419) 15.914 3.013 ( -14.474 -2.858 -1.560) 14.836 3.675 ( 1.574 -1.639 -1.063) 2.509 4.090 ( -9.532 11.172 -6.816) 16.190 5.298 ( -7.603 -2.570 0.849) 8.070 5.507 ( -10.515 -12.835 10.142) 19.447 6.869 ( -7.219 1.342 -0.725) 7.379 7.693 ( 0.852 -2.390 -0.044) 2.538 7.871 ( -0.528 -2.574 0.761) 2.736 10.831 ( 9.906 6.232 -0.154) 11.705 11.122 ( 3.003 -2.488 0.158) 3.903 12.099 ( 20.704 0.891 -1.146) 20.754 14.268 ( -7.882 1.616 -0.775) 8.083 15.741 ( -1.016 8.799 7.225) 11.431 16.119 ( 0.384 -7.788 -8.686) 11.673======================= Grid point 315 (68/213) =======================q-point: (-0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.506 ( -20.495 2.134 3.476) 20.897 2.724 ( -16.177 -3.350 -0.906) 16.545 3.642 ( -3.536 -1.663 -1.878) 4.336 4.003 ( -12.816 7.874 -11.080) 18.682 5.044 ( -19.717 -5.964 3.696) 20.928 5.243 ( -3.886 -9.395 9.445) 13.877 6.745 ( -8.009 0.148 -0.536) 8.028 7.659 ( -1.572 -2.943 -2.986) 4.477 7.830 ( -0.785 -3.520 0.078) 3.608 11.068 ( 11.166 4.055 -0.711) 11.901 11.226 ( 10.113 1.914 2.400) 10.568 12.477 ( 23.139 -0.454 -1.605) 23.199 14.153 ( -6.680 0.779 -1.083) 6.812 15.755 ( -5.999 4.535 8.796) 11.573 16.091 ( 2.364 -1.551 -9.132) 9.560======================= Grid point 316 (69/213) =======================q-point: (-0.31 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( -23.122 0.901 6.187) 23.953 2.392 ( -19.651 -2.774 0.320) 19.848 3.529 ( -7.775 -1.723 -2.924) 8.484 3.774 ( -21.824 4.444 -8.258) 23.753 4.601 ( -23.764 -5.373 5.473) 24.971 5.170 ( 3.041 -5.378 3.350) 7.028 6.609 ( -7.690 -0.373 -0.427) 7.711 7.579 ( -5.249 -2.259 -5.522) 7.947 7.786 ( 0.916 -4.656 -1.396) 4.947 11.290 ( 12.542 1.240 -0.068) 12.603 11.476 ( 15.244 3.168 4.446) 16.192 12.858 ( 23.320 -2.632 -3.239) 23.690 14.070 ( -3.997 1.229 -1.651) 4.496 15.628 ( -9.313 -3.001 6.241) 11.605 16.156 ( 1.036 7.632 -3.768) 8.574======================= Grid point 324 (70/213) =======================q-point: ( 0.19 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.540 ( 11.591 18.156 5.438) 22.216 2.689 ( 8.454 14.788 -0.296) 17.036 3.616 ( 1.150 4.007 -2.960) 5.113 4.169 ( 15.227 9.813 -11.636) 21.530 4.923 ( 4.120 18.549 10.094) 21.516 5.110 ( -1.082 5.513 1.605) 5.843 6.746 ( 4.110 7.524 -0.479) 8.587 7.602 ( -2.178 1.907 -4.968) 5.750 7.769 ( -0.589 3.711 -2.043) 4.277 11.099 ( -5.462 -8.813 -1.167) 10.434 11.254 ( -6.367 -10.668 2.670) 12.708 12.458 ( -11.620 -18.722 -1.722) 22.102 14.170 ( 4.062 5.398 -0.737) 6.796 15.707 ( -3.591 9.183 0.049) 9.860 16.205 ( 7.569 -8.970 2.141) 11.930======================= Grid point 325 (71/213) =======================q-point: ( 0.25 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.874 ( 8.582 14.836 3.966) 17.592 2.964 ( 7.739 12.821 -0.653) 14.990 3.647 ( 0.377 -0.072 -1.531) 1.578 4.428 ( 3.647 8.777 -7.952) 12.392 5.067 ( 3.061 8.671 4.524) 10.248 5.302 ( 9.078 10.137 3.096) 13.956 6.887 ( 3.465 7.861 -0.556) 8.609 7.574 ( -2.183 1.070 -4.172) 4.828 7.812 ( 1.456 2.528 -1.001) 3.084 10.916 ( -7.289 -7.510 -1.380) 10.556 11.089 ( -2.713 -5.321 0.968) 6.051 12.098 ( -9.819 -17.822 -0.389) 20.351 14.309 ( 4.510 7.717 -0.100) 8.939 15.698 ( -6.446 7.193 -2.829) 10.065 16.234 ( 6.831 -10.187 4.343) 13.011======================= Grid point 326 (72/213) =======================q-point: ( 0.31 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.120 ( 4.378 12.581 3.160) 13.691 3.176 ( 4.816 8.224 -2.710) 9.908 3.637 ( 0.110 -2.104 2.025) 2.922 4.489 ( -7.904 14.038 -3.538) 16.494 5.239 ( 8.638 3.308 -1.092) 9.314 5.524 ( 8.832 3.400 3.523) 10.098 7.008 ( 1.558 7.797 -0.600) 7.973 7.557 ( -0.219 -0.094 -1.682) 1.699 7.858 ( 1.671 1.270 -0.205) 2.109 10.725 ( -7.043 -5.036 -0.779) 8.693 11.056 ( 2.310 -1.693 -0.432) 2.896 11.784 ( -7.690 -15.617 0.219) 17.409 14.457 ( 2.664 9.044 0.036) 9.429 15.651 ( -5.561 5.121 -2.430) 7.941 16.232 ( 4.507 -9.909 3.102) 11.319======================= Grid point 327 (73/213) =======================q-point: ( 0.38 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.215 ( -5.008 8.577 -2.216) 10.176 3.332 ( 6.381 4.178 0.680) 7.658 3.609 ( -2.063 -1.094 4.379) 4.962 4.475 ( -11.002 16.742 -3.157) 20.280 5.380 ( 5.147 0.662 -1.252) 5.339 5.655 ( 6.930 -4.385 3.145) 8.783 7.082 ( -1.619 6.930 -0.680) 7.149 7.567 ( 2.331 -1.611 0.937) 2.984 7.888 ( 0.848 0.342 0.563) 1.074 10.605 ( -2.957 -1.376 -0.533) 3.305 11.108 ( 3.974 -0.867 -0.592) 4.110 11.557 ( -2.248 -11.386 -0.006) 11.606 14.553 ( -1.972 8.358 -0.309) 8.593 15.632 ( -1.868 4.893 -0.430) 5.255 16.193 ( 2.099 -9.511 0.409) 9.748======================= Grid point 328 (74/213) =======================q-point: (-0.56 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.163 ( -7.942 4.303 -2.862) 9.476 3.419 ( -4.176 4.055 3.460) 6.771 3.558 ( 0.679 -1.890 1.524) 2.521 4.448 ( -11.406 16.166 -4.076) 20.200 5.420 ( -0.000 -1.342 0.185) 1.354 5.665 ( 1.957 -9.218 3.618) 10.094 7.083 ( -5.027 4.790 -0.691) 6.978 7.601 ( 3.818 -2.426 1.698) 4.831 7.891 ( -0.421 -0.489 1.408) 1.548 10.606 ( 2.755 1.914 -0.494) 3.391 11.115 ( -0.724 -3.796 -0.237) 3.872 11.547 ( 10.280 -3.866 -0.455) 10.993 14.544 ( -7.054 5.571 -0.648) 9.012 15.692 ( 2.022 7.084 1.823) 7.589 16.120 ( 0.335 -9.500 -2.423) 9.810======================= Grid point 329 (75/213) =======================q-point: (-0.50 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.040 ( -10.767 2.953 -1.035) 11.213 3.256 ( -14.939 0.825 2.699) 15.203 3.609 ( 4.293 -0.995 -0.528) 4.439 4.398 ( -11.833 13.701 -6.105) 19.105 5.359 ( -3.674 -4.192 2.127) 5.966 5.539 ( -5.929 -9.527 4.897) 12.243 7.011 ( -7.319 2.355 -0.565) 7.709 7.634 ( 2.811 -2.983 -0.265) 4.108 7.868 ( -1.257 -1.103 2.077) 2.667 10.728 ( 7.971 3.532 -0.688) 8.745 11.064 ( 0.235 -3.211 -0.087) 3.221 11.774 ( 17.617 -0.675 -0.230) 17.631 14.439 ( -9.483 2.694 -0.637) 9.879 15.823 ( 2.628 10.140 4.508) 11.404 16.024 ( 0.042 -9.983 -5.404) 11.352======================= Grid point 330 (76/213) =======================q-point: (-0.44 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.846 ( -15.894 2.393 2.443) 16.258 2.978 ( -16.818 -1.041 0.562) 16.860 3.649 ( 1.039 -0.788 -1.983) 2.373 4.312 ( -12.479 10.570 -9.538) 18.932 5.221 ( -4.988 -9.911 6.826) 13.027 5.292 ( -14.424 -3.354 3.820) 15.293 6.890 ( -8.466 0.613 -0.478) 8.502 7.632 ( 0.734 -3.395 -3.234) 4.746 7.829 ( -1.868 -1.621 1.245) 2.769 10.919 ( 10.289 2.284 -1.279) 10.617 11.092 ( 5.919 -0.610 1.107) 6.052 12.099 ( 20.865 -0.415 -0.398) 20.873 14.296 ( -9.052 1.154 -0.598) 9.145 15.860 ( -4.589 -3.611 1.961) 6.159 16.033 ( 5.610 5.679 -2.093) 8.252======================= Grid point 341 (77/213) =======================q-point: ( 0.25 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.088 ( 7.409 8.106 0.221) 10.984 3.244 ( 5.050 14.416 2.447) 15.470 3.609 ( -0.504 -3.247 0.488) 3.322 4.602 ( 9.834 8.336 -6.989) 14.665 5.224 ( -2.789 7.423 3.591) 8.705 5.459 ( 3.840 5.474 2.274) 7.063 7.036 ( 4.057 7.155 -0.306) 8.231 7.579 ( -2.941 -0.741 -1.942) 3.601 7.854 ( 0.748 1.934 1.921) 2.827 10.764 ( -4.551 -7.719 -1.214) 9.043 11.030 ( -0.581 -0.596 0.068) 0.835 11.768 ( -8.780 -15.741 0.457) 18.030 14.472 ( 5.636 8.578 -0.267) 10.268 15.824 ( -8.274 5.659 -4.085) 10.825 16.035 ( 6.979 -9.795 3.884) 12.639======================= Grid point 342 (78/213) =======================q-point: ( 0.31 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.266 ( 6.034 4.819 -0.466) 7.736 3.373 ( -3.272 8.437 -0.067) 9.050 3.603 ( 2.073 -0.516 5.748) 6.132 4.774 ( -2.918 14.289 -4.184) 15.172 5.287 ( 4.838 1.935 -0.399) 5.226 5.527 ( 2.959 -3.102 1.568) 4.565 7.158 ( 1.579 7.426 -0.050) 7.593 7.525 ( -0.846 -3.240 -0.145) 3.352 7.885 ( 0.726 1.427 2.512) 2.979 10.635 ( -3.366 -3.973 -1.208) 5.345 11.055 ( 2.491 1.651 -0.154) 2.993 11.502 ( -5.572 -13.006 0.674) 14.165 14.631 ( 2.625 8.260 -0.329) 8.674 15.745 ( -5.937 4.450 -2.367) 7.788 16.043 ( 4.551 -9.112 2.029) 10.385======================= Grid point 343 (79/213) =======================q-point: ( 0.38 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.309 ( -5.240 2.351 -2.824) 6.400 3.427 ( 4.422 3.553 2.021) 6.021 3.608 ( -3.607 1.221 6.694) 7.701 4.799 ( -10.620 15.629 -4.010) 19.317 5.386 ( 3.543 0.058 -0.897) 3.655 5.514 ( 3.917 -9.448 1.381) 10.320 7.212 ( -3.655 6.163 -0.070) 7.166 7.505 ( 3.328 -4.268 0.983) 5.501 7.900 ( -0.301 0.660 3.036) 3.122 10.586 ( 0.411 -0.650 -1.208) 1.432 11.107 ( -0.101 0.758 0.169) 0.783 11.368 ( 3.992 -7.616 0.322) 8.605 14.695 ( -3.596 5.640 -0.643) 6.720 15.738 ( -0.368 5.910 -0.062) 5.922 16.009 ( 1.978 -8.924 -0.350) 9.148======================= Grid point 345 (80/213) =======================q-point: (-0.56 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.219 ( -7.728 2.195 -1.592) 8.190 3.484 ( -8.503 -3.147 3.043) 9.564 3.533 ( 2.316 3.834 3.478) 5.671 4.735 ( -12.592 11.629 -5.499) 18.001 5.353 ( -2.310 -6.729 2.003) 7.391 5.511 ( 1.816 -3.575 0.914) 4.113 7.157 ( -7.120 2.355 -0.130) 7.501 7.545 ( 4.416 -2.637 0.263) 5.150 7.887 ( -1.458 -0.084 3.047) 3.379 10.636 ( 5.164 0.864 -1.178) 5.367 11.059 ( -2.622 -1.709 0.043) 3.131 11.497 ( 13.939 -1.178 0.420) 13.995 14.624 ( -8.779 2.440 -0.581) 9.130 15.840 ( 4.481 5.654 -0.029) 7.214 15.943 ( -0.274 -6.286 -0.555) 6.317======================= Grid point 359 (81/213) =======================q-point: ( 0.31 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.347 ( 3.785 3.625 -0.960) 5.328 3.432 ( -3.326 -1.570 -0.382) 3.698 3.639 ( 2.352 2.683 8.541) 9.257 5.010 ( 6.013 8.417 -4.410) 11.244 5.330 ( -1.390 2.964 0.142) 3.276 5.417 ( -2.295 -7.159 -0.326) 7.525 7.293 ( 3.580 5.996 0.450) 6.998 7.440 ( -3.175 -4.956 0.687) 5.926 7.907 ( 0.353 0.653 3.718) 3.792 10.579 ( -0.895 -1.531 -1.515) 2.333 11.121 ( 2.627 4.808 0.334) 5.489 11.286 ( -4.871 -8.729 0.621) 10.015 14.755 ( 2.223 3.664 -0.714) 4.345 15.818 ( -1.456 2.486 -0.946) 3.032 15.899 ( 0.232 -4.631 0.527) 4.667======================= Grid point 542 (82/213) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 213Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( 0.000 0.000 27.593) 27.593 1.188 ( -0.000 -0.000 27.593) 27.593 1.923 ( -0.000 0.000 46.434) 46.434 3.031 ( 0.000 0.000 -9.211) 9.211 3.031 ( -0.000 -0.000 -9.211) 9.211 5.278 ( 0.000 -0.000 -21.884) 21.884 6.258 ( 0.000 0.000 -0.433) 0.433 6.258 ( 0.000 0.000 -0.433) 0.433 10.107 ( -0.000 0.000 2.150) 2.150 11.936 ( 0.000 -0.000 3.655) 3.655 11.936 ( 0.000 -0.000 3.655) 3.655 13.926 ( 0.000 0.000 -2.659) 2.659 13.926 ( 0.000 0.000 -2.659) 2.659 14.495 ( 0.000 0.000 -0.600) 0.600 16.719 ( -0.000 0.000 0.707) 0.707======================= Grid point 543 (83/213) =======================q-point: ( 0.06 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( 5.445 3.144 27.108) 27.828 1.290 ( 7.645 4.414 25.569) 27.050 2.158 ( 18.083 10.440 35.674) 41.335 3.039 ( 1.330 0.768 -9.222) 9.349 3.172 ( 11.666 6.735 -6.892) 15.131 5.251 ( -2.342 -1.352 -20.046) 20.228 6.272 ( 1.360 0.785 -0.480) 1.643 6.409 ( 11.758 6.788 -4.891) 14.431 9.302 ( -47.832 -27.616 14.298) 57.052 11.875 ( -4.128 -2.383 3.196) 5.739 12.497 ( 24.973 14.418 -3.885) 29.097 13.739 ( -14.867 -8.583 -4.192) 17.671 13.949 ( 0.877 0.506 -2.334) 2.544 14.640 ( 11.890 6.865 0.123) 13.730 16.594 ( -6.783 -3.916 4.504) 9.035======================= Grid point 544 (84/213) =======================q-point: ( 0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 16.039 9.260 18.631) 26.270 1.517 ( 12.041 6.952 21.008) 25.192 2.635 ( 22.909 13.226 17.630) 31.790 3.089 ( 3.090 1.784 -8.653) 9.360 3.538 ( 20.067 11.586 -0.881) 23.189 5.177 ( -4.123 -2.380 -15.620) 16.330 6.320 ( 2.857 1.649 -0.625) 3.357 6.719 ( 14.585 8.420 -9.737) 19.453 8.386 ( -32.069 -18.515 11.060) 38.646 11.751 ( -6.858 -3.959 2.212) 8.222 12.643 ( -11.877 -6.857 9.568) 16.722 13.388 ( -12.764 -7.369 -13.783) 20.179 13.968 ( 0.932 0.538 -1.670) 1.987 14.954 ( 14.006 8.086 3.451) 16.536 16.532 ( 1.312 0.758 3.348) 3.674======================= Grid point 545 (85/213) =======================q-point: ( 0.19 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 14.227 8.214 15.614) 22.664 1.874 ( 19.006 10.973 10.733) 24.429 3.161 ( 23.323 13.466 0.083) 26.932 3.176 ( 4.565 2.636 -7.360) 9.053 4.042 ( 23.879 13.787 6.062) 28.232 5.070 ( -5.163 -2.981 -9.106) 10.884 6.400 ( 4.183 2.415 -0.859) 4.906 7.037 ( 13.231 7.639 -10.820) 18.721 7.833 ( -17.881 -10.324 2.521) 20.800 11.567 ( -9.447 -5.454 1.179) 10.972 12.176 ( -24.306 -14.033 12.392) 30.680 13.149 ( -10.405 -6.007 -13.096) 17.772 13.996 ( 1.657 0.957 -0.945) 2.134 15.217 ( 8.940 5.161 5.426) 11.662 16.604 ( 3.885 2.243 0.918) 4.579======================= Grid point 546 (86/213) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( 14.002 8.084 9.865) 18.940 2.288 ( 17.331 10.006 5.844) 20.848 3.294 ( 5.928 3.423 -5.126) 8.552 3.657 ( 19.517 11.268 -13.514) 26.278 4.581 ( 23.085 13.328 11.381) 28.984 4.968 ( -2.764 -1.596 -1.485) 3.520 6.505 ( 5.033 2.906 -1.152) 5.924 7.305 ( 10.333 5.966 -9.803) 15.442 7.549 ( -7.717 -4.455 -2.309) 9.205 11.330 ( -11.389 -6.575 0.561) 13.162 11.672 ( -19.241 -11.109 7.594) 23.479 12.886 ( -12.968 -7.487 -8.229) 17.087 14.046 ( 2.726 1.574 -0.414) 3.175 15.364 ( 4.512 2.605 5.133) 7.314 16.672 ( 1.751 1.011 -0.085) 2.024======================= Grid point 547 (87/213) =======================q-point: ( 0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.429 ( 11.200 6.466 3.834) 13.489 2.649 ( 14.754 8.518 1.999) 17.153 3.443 ( 7.191 4.151 -1.917) 8.521 3.960 ( 5.672 3.275 -17.770) 18.939 4.937 ( 7.590 4.382 5.969) 10.604 5.136 ( 19.521 11.270 10.461) 24.850 6.621 ( 5.113 2.952 -1.459) 6.082 7.429 ( 0.390 0.225 -2.150) 2.197 7.539 ( 6.825 3.940 -8.673) 11.719 11.064 ( -11.821 -6.825 0.553) 13.661 11.330 ( -10.993 -6.347 2.798) 12.998 12.569 ( -14.921 -8.614 -4.947) 17.925 14.116 ( 3.416 1.972 -0.167) 3.948 15.437 ( 2.251 1.300 4.279) 5.006 16.675 ( -1.472 -0.850 -0.905) 1.926======================= Grid point 548 (88/213) =======================q-point: ( 0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.633 ( 6.788 3.919 -1.549) 7.989 2.953 ( 12.065 6.966 -1.888) 14.059 3.611 ( 7.416 4.282 1.343) 8.668 3.928 ( -6.482 -3.742 -9.910) 12.419 5.158 ( 10.787 6.228 0.805) 12.482 5.570 ( 17.650 10.190 11.817) 23.558 6.729 ( 4.293 2.478 -1.736) 5.252 7.481 ( 4.371 2.524 1.595) 5.294 7.683 ( 5.339 3.083 -8.483) 10.486 10.814 ( -10.012 -5.780 0.996) 11.604 11.173 ( -3.187 -1.840 -0.624) 3.733 12.225 ( -15.265 -8.813 -3.311) 17.934 14.192 ( 3.130 1.807 -0.123) 3.616 15.479 ( 1.742 1.006 3.685) 4.198 16.609 ( -4.220 -2.437 -1.936) 5.243======================= Grid point 549 (89/213) =======================q-point: ( 0.44 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( 2.341 1.351 -4.841) 5.545 3.178 ( 7.128 4.115 -7.225) 10.952 3.754 ( -7.399 -4.272 -0.923) 8.593 3.761 ( 5.483 3.165 3.285) 7.132 5.362 ( 6.703 3.870 -0.671) 7.769 5.904 ( 11.493 6.636 10.089) 16.671 6.808 ( 2.619 1.512 -1.944) 3.595 7.607 ( 6.206 3.583 5.052) 8.767 7.778 ( 3.192 1.843 -8.015) 8.821 10.631 ( -5.833 -3.367 1.520) 6.904 11.172 ( 2.532 1.462 -2.386) 3.774 11.903 ( -12.485 -7.208 -2.843) 14.694 14.249 ( 1.755 1.013 -0.154) 2.032 15.522 ( 2.146 1.239 3.406) 4.213 16.494 ( -5.797 -3.347 -2.917) 7.302======================= Grid point 550 (90/213) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.742 ( -1.609 -0.929 -5.672) 5.969 3.222 ( -3.734 -2.156 -11.557) 12.335 3.667 ( 0.295 0.170 4.735) 4.748 3.845 ( 1.838 1.061 3.652) 4.224 5.450 ( 1.069 0.617 -0.711) 1.425 6.071 ( 3.084 1.781 8.974) 9.655 6.842 ( 0.322 0.186 -2.035) 2.068 7.725 ( 3.281 1.894 3.414) 5.100 7.839 ( 2.753 1.590 -4.666) 5.647 10.563 ( -0.016 -0.009 1.755) 1.755 11.233 ( 0.959 0.554 -2.870) 3.076 11.725 ( -1.222 -0.705 -2.825) 3.157 14.266 ( -0.328 -0.190 -0.174) 0.417 15.577 ( 2.685 1.550 3.255) 4.495 16.358 ( -6.040 -3.487 -3.359) 7.741======================= Grid point 552 (91/213) =======================q-point: (-0.44 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.665 ( -5.189 -2.996 -4.368) 7.415 3.067 ( -8.579 -4.953 -8.084) 12.786 3.707 ( 1.711 0.988 0.973) 2.202 3.841 ( -2.126 -1.227 2.823) 3.741 5.415 ( -4.050 -2.339 -0.599) 4.715 6.041 ( -5.620 -3.245 8.922) 11.033 6.821 ( -2.135 -1.233 -1.971) 3.157 7.742 ( -1.182 -0.683 -3.433) 3.695 7.902 ( 2.086 1.204 0.804) 2.539 10.632 ( 5.997 3.462 1.536) 7.093 11.193 ( -2.639 -1.524 -2.564) 3.983 11.876 ( 12.832 7.409 -2.766) 15.073 14.234 ( -2.462 -1.422 -0.157) 2.847 15.641 ( 2.909 1.679 3.168) 4.617 16.228 ( -5.417 -3.128 -2.917) 6.902======================= Grid point 553 (92/213) =======================q-point: (-0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.511 ( -8.423 -4.863 -1.304) 9.813 2.860 ( -9.758 -5.634 -4.186) 12.020 3.705 ( -2.369 -1.368 -4.140) 4.962 3.755 ( -5.293 -3.056 1.118) 6.214 5.271 ( -8.786 -5.072 -0.086) 10.145 5.834 ( -12.005 -6.931 9.101) 16.583 6.749 ( -4.131 -2.385 -1.772) 5.089 7.691 ( -3.143 -1.814 -5.896) 6.924 7.914 ( -1.060 -0.612 -0.506) 1.324 10.823 ( 10.680 6.166 1.013) 12.374 11.186 ( 2.878 1.662 -0.861) 3.433 12.231 ( 17.768 10.258 -3.433) 20.802 14.160 ( -3.981 -2.299 -0.129) 4.599 15.705 ( 2.786 1.608 3.535) 4.780 16.112 ( -4.975 -2.873 -1.875) 6.043======================= Grid point 554 (93/213) =======================q-point: (-0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( -11.128 -6.425 3.118) 13.222 2.618 ( -11.999 -6.928 0.041) 13.855 3.591 ( -7.761 -4.481 -8.648) 12.454 3.613 ( -7.115 -4.108 -1.179) 8.300 5.003 ( -15.524 -8.963 2.324) 18.075 5.549 ( -11.924 -6.884 6.804) 15.358 6.642 ( -5.187 -2.995 -1.489) 6.171 7.599 ( -5.432 -3.136 -6.885) 9.313 7.868 ( -2.165 -1.250 -3.781) 4.533 11.095 ( 13.023 7.519 0.567) 15.048 11.340 ( 10.766 6.216 2.492) 12.678 12.651 ( 19.055 11.001 -5.526) 22.686 14.063 ( -4.417 -2.550 -0.176) 5.103 15.766 ( 2.645 1.527 5.631) 6.406 15.993 ( -5.949 -3.435 -1.642) 7.063======================= Grid point 555 (94/213) =======================q-point: (-0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.016 ( -12.909 -7.453 8.442) 17.130 2.306 ( -15.793 -9.118 4.857) 18.873 3.359 ( -12.632 -7.293 -8.944) 17.110 3.446 ( -7.463 -4.309 -3.679) 9.370 4.563 ( -22.965 -13.259 6.121) 27.215 5.340 ( -6.386 -3.687 0.047) 7.374 6.523 ( -5.185 -2.994 -1.171) 6.101 7.420 ( -10.691 -6.172 -8.857) 15.194 7.868 ( 3.133 1.809 -3.861) 5.291 11.390 ( 12.699 7.332 0.590) 14.676 11.662 ( 17.284 9.979 6.519) 20.996 13.076 ( 18.316 10.575 -9.055) 23.007 13.970 ( -3.621 -2.090 -0.441) 4.204 15.803 ( -5.459 -3.152 15.947) 17.148 15.853 ( -0.598 -0.345 -9.031) 9.057======================= Grid point 556 (95/213) =======================q-point: (-0.19 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( -13.130 -7.581 14.270) 20.821 1.913 ( -18.604 -10.741 10.566) 23.939 3.028 ( -16.619 -9.595 -0.786) 19.206 3.286 ( -6.552 -3.783 -5.929) 9.612 4.011 ( -24.829 -14.335 5.734) 29.238 5.249 ( -2.016 -1.164 -7.953) 8.286 6.415 ( -4.350 -2.512 -0.868) 5.098 7.125 ( -15.122 -8.731 -11.140) 20.712 8.040 ( 12.760 7.367 1.285) 14.790 11.651 ( 10.062 5.809 1.267) 11.687 12.086 ( 19.325 11.157 8.875) 24.014 13.460 ( 15.315 8.842 -12.909) 21.895 13.906 ( -1.889 -1.091 -1.030) 2.412 15.530 ( -16.081 -9.285 2.558) 18.745 15.952 ( 6.946 4.011 7.244) 10.808======================= Grid point 557 (96/213) =======================q-point: (-0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( -11.004 -6.353 20.248) 23.905 1.508 ( -16.040 -9.261 19.016) 26.545 2.612 ( -20.060 -11.582 16.174) 28.251 3.156 ( -4.838 -2.793 -7.621) 9.449 3.493 ( -20.076 -11.591 -0.571) 23.189 5.236 ( 0.495 0.286 -15.136) 15.147 6.331 ( -3.054 -1.763 -0.629) 3.582 6.759 ( -16.696 -9.640 -10.623) 22.012 8.483 ( 27.656 15.967 10.003) 33.465 11.834 ( 6.130 3.539 2.375) 7.466 12.460 ( 11.209 6.471 5.382) 14.017 13.740 ( 8.956 5.170 -13.621) 17.102 13.886 ( -0.027 -0.015 -1.830) 1.830 15.093 ( -21.812 -12.593 0.171) 25.187 16.179 ( 13.364 7.716 10.834) 18.855======================= Grid point 558 (97/213) =======================q-point: (-0.06 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( -5.969 -3.446 25.424) 26.341 1.248 ( -6.215 -3.588 27.438) 28.361 2.161 ( -18.126 -10.465 35.317) 41.053 3.070 ( -2.781 -1.606 -8.690) 9.264 3.143 ( -10.487 -6.055 -7.269) 14.123 5.259 ( 1.307 0.755 -19.993) 20.050 6.278 ( -1.604 -0.926 -0.482) 1.914 6.413 ( -12.675 -7.318 -5.232) 15.543 9.321 ( 45.628 26.343 13.871) 54.482 11.927 ( 2.148 1.240 3.340) 4.161 12.413 ( -18.993 -10.966 -3.614) 22.227 13.871 ( 3.905 2.255 -6.325) 7.767 13.899 ( 1.063 0.614 -2.477) 2.764 14.652 ( -14.250 -8.227 -0.351) 16.459 16.523 ( 15.087 8.711 6.909) 18.741======================= Grid point 560 (98/213) =======================q-point: ( 0.06 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.377 ( 7.320 13.103 21.209) 25.982 1.435 ( 8.069 11.233 22.257) 26.204 2.491 ( 12.480 20.827 21.995) 32.761 3.103 ( 0.065 5.187 -8.413) 9.883 3.399 ( 11.934 16.760 -2.665) 20.747 5.220 ( -2.822 -1.447 -16.864) 17.160 6.310 ( 1.198 2.917 -0.557) 3.202 6.644 ( 7.750 15.944 -9.285) 20.012 8.629 ( -22.831 -33.217 12.701) 42.261 11.828 ( -6.154 -3.825 2.504) 7.667 12.604 ( 4.814 -7.387 3.902) 9.642 13.592 ( -18.356 -6.668 -9.591) 21.757 13.953 ( 2.139 -0.207 -3.738) 4.312 14.917 ( 6.965 20.357 1.501) 21.567 16.402 ( 5.980 -13.115 7.053) 16.047======================= Grid point 561 (99/213) =======================q-point: ( 0.12 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 12.734 13.038 16.367) 24.495 1.733 ( 12.336 16.177 14.050) 24.724 2.939 ( 18.112 16.198 5.078) 24.823 3.178 ( 1.894 7.242 -7.270) 10.435 3.840 ( 18.429 19.123 3.977) 26.854 5.139 ( -5.083 -1.247 -11.454) 12.593 6.376 ( 2.571 4.031 -0.691) 4.830 6.941 ( 9.617 13.460 -11.007) 19.870 8.030 ( -19.029 -15.986 5.073) 25.365 11.660 ( -8.033 -5.938 1.360) 10.081 12.364 ( -14.804 -19.196 12.484) 27.267 13.250 ( -12.300 -8.343 -13.232) 19.899 13.980 ( 1.409 0.450 -2.506) 2.910 15.200 ( 4.735 15.396 4.672) 16.771 16.459 ( 10.466 -6.955 2.747) 12.863======================= Grid point 562 (100/213) =======================q-point: ( 0.19 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( 11.630 13.888 12.565) 22.045 2.131 ( 14.987 14.695 7.333) 22.234 3.262 ( 4.612 6.458 -6.580) 10.309 3.443 ( 18.652 14.109 -8.303) 24.818 4.361 ( 20.590 18.377 9.371) 29.146 5.034 ( -5.776 -0.452 -4.537) 7.359 6.473 ( 3.540 5.016 -0.899) 6.205 7.215 ( 8.907 9.995 -10.422) 16.967 7.666 ( -11.619 -6.177 -1.084) 13.203 11.441 ( -9.837 -7.618 0.435) 12.450 11.878 ( -19.298 -15.623 9.918) 26.737 12.977 ( -9.697 -11.426 -9.489) 17.737 14.020 ( 2.325 1.569 -1.314) 3.098 15.372 ( 1.429 9.671 5.205) 11.075 16.567 ( 8.377 -5.265 0.682) 9.917======================= Grid point 563 (101/213) =======================q-point: ( 0.25 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.353 ( 9.624 13.511 7.172) 18.073 2.504 ( 13.746 11.701 3.494) 18.387 3.400 ( 4.566 7.005 -3.857) 9.208 3.854 ( 13.764 8.852 -17.044) 23.628 4.851 ( 14.571 12.870 12.110) 22.904 4.991 ( 4.092 4.910 2.318) 6.798 6.589 ( 3.833 5.628 -1.165) 6.908 7.415 ( 4.219 3.864 -6.790) 8.879 7.520 ( -1.543 2.649 -5.063) 5.919 11.188 ( -10.805 -7.800 -0.044) 13.326 11.464 ( -14.120 -10.128 5.138) 18.120 12.682 ( -11.125 -12.931 -5.635) 17.965 14.089 ( 3.055 3.099 -0.572) 4.389 15.452 ( -0.356 5.704 4.329) 7.170 16.622 ( 4.253 -5.568 -0.213) 7.009======================= Grid point 564 (102/213) =======================q-point: ( 0.31 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.608 ( 5.542 11.710 1.673) 13.063 2.824 ( 12.106 9.023 0.043) 15.098 3.554 ( 5.546 6.425 -0.473) 8.501 4.010 ( -2.172 3.021 -14.154) 14.635 5.045 ( 8.679 6.162 3.250) 11.129 5.362 ( 18.378 11.057 11.301) 24.243 6.706 ( 3.272 5.687 -1.442) 6.718 7.454 ( 1.724 2.394 -0.434) 2.982 7.632 ( 4.959 5.098 -8.169) 10.831 10.934 ( -10.778 -6.366 0.176) 12.519 11.214 ( -6.194 -5.644 1.141) 8.457 12.353 ( -12.478 -13.073 -3.375) 18.384 14.177 ( 2.716 4.472 -0.251) 5.238 15.486 ( -0.433 3.351 3.515) 4.875 16.602 ( 0.308 -6.215 -1.156) 6.329======================= Grid point 565 (103/213) =======================q-point: ( 0.38 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.764 ( 0.783 9.304 -2.529) 9.674 3.085 ( 9.519 6.391 -3.748) 12.063 3.691 ( 4.087 2.381 2.018) 5.143 3.921 ( -9.355 4.655 -5.345) 11.737 5.266 ( 9.303 4.601 -0.206) 10.381 5.736 ( 15.141 6.334 10.334) 19.395 6.804 ( 1.847 5.127 -1.689) 5.706 7.546 ( 5.056 3.704 3.337) 7.100 7.745 ( 3.483 3.240 -7.537) 8.912 10.715 ( -8.346 -4.267 0.857) 9.413 11.138 ( 1.025 -1.735 -1.445) 2.479 12.020 ( -11.972 -11.774 -2.497) 16.976 14.259 ( 1.067 5.070 -0.192) 5.184 15.513 ( 0.631 2.275 3.131) 3.922 16.518 ( -2.591 -6.561 -2.222) 7.396======================= Grid point 566 (104/213) =======================q-point: ( 0.44 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.820 ( -3.438 7.149 -4.294) 9.020 3.241 ( 2.175 2.598 -8.878) 9.502 3.682 ( -2.682 -1.832 3.652) 4.887 3.894 ( -2.686 8.895 1.584) 9.426 5.414 ( 4.382 1.441 -0.808) 4.683 5.978 ( 8.920 0.676 8.795) 12.545 6.863 ( -0.277 3.981 -1.860) 4.403 7.669 ( 5.152 2.141 4.620) 7.244 7.818 ( 2.208 2.496 -5.706) 6.608 10.586 ( -3.331 -1.213 1.309) 3.779 11.186 ( 4.249 -0.131 -2.390) 4.877 11.753 ( -6.536 -7.697 -2.460) 10.393 14.304 ( -1.432 4.492 -0.213) 4.720 15.556 ( 1.897 2.291 2.989) 4.217 16.396 ( -4.045 -6.407 -2.999) 8.149======================= Grid point 567 (105/213) =======================q-point: (-0.50 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( -7.271 5.721 -3.737) 9.978 3.183 ( -8.457 -1.080 -9.245) 12.576 3.672 ( 2.092 -0.201 3.459) 4.048 3.919 ( -4.009 6.267 2.019) 7.708 5.442 ( -1.058 -1.257 -0.757) 1.809 6.041 ( 0.833 -4.865 8.317) 9.672 6.869 ( -2.731 2.440 -1.888) 4.121 7.731 ( 1.408 -1.256 -0.678) 2.005 7.879 ( 2.163 2.225 -0.227) 3.111 10.587 ( 2.743 2.346 1.314) 3.841 11.203 ( -1.045 -3.252 -2.445) 4.200 11.731 ( 8.627 1.142 -2.437) 9.037 14.295 ( -3.886 2.877 -0.195) 4.839 15.621 ( 2.506 3.222 2.805) 4.952 16.265 ( -4.158 -5.900 -2.973) 7.806======================= Grid point 568 (106/213) =======================q-point: (-0.44 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( -11.297 4.919 -1.385) 12.399 2.992 ( -11.094 -2.698 -5.879) 12.841 3.693 ( 0.694 -2.243 -0.697) 2.450 3.875 ( -7.238 4.216 0.260) 8.380 5.359 ( -6.105 -3.124 -0.511) 6.877 5.917 ( -6.937 -9.268 8.710) 14.487 6.819 ( -4.953 0.880 -1.755) 5.328 7.707 ( -1.402 -2.878 -4.634) 5.632 7.914 ( 0.265 -0.183 0.909) 0.965 10.720 ( 8.197 5.324 0.858) 9.812 11.155 ( 0.598 -2.033 -1.596) 2.653 12.002 ( 17.601 5.169 -2.510) 18.515 14.232 ( -5.525 0.928 -0.154) 5.604 15.701 ( 2.144 4.839 2.633) 5.912 16.144 ( -3.669 -5.497 -1.993) 6.903======================= Grid point 569 (107/213) =======================q-point: (-0.38 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.504 ( -15.225 3.664 2.168) 15.809 2.765 ( -11.894 -4.031 -2.235) 12.756 3.636 ( -3.732 -4.251 -4.596) 7.288 3.759 ( -10.032 2.151 -2.924) 10.669 5.172 ( -11.930 -4.707 0.691) 12.844 5.654 ( -10.833 -11.174 8.476) 17.722 6.724 ( -6.383 -0.316 -1.509) 6.567 7.638 ( -3.003 -3.536 -6.229) 7.767 7.881 ( -2.046 -2.869 -1.954) 4.029 10.951 ( 11.789 6.362 0.125) 13.396 11.224 ( 7.877 2.421 1.014) 8.303 12.384 ( 20.831 5.030 -3.647) 21.738 14.135 ( -5.972 -0.479 -0.224) 5.995 15.786 ( 1.043 7.064 3.321) 7.875 16.028 ( -3.749 -5.762 -0.890) 6.932======================= Grid point 570 (108/213) =======================q-point: (-0.31 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.250 ( -17.626 1.661 6.430) 18.835 2.498 ( -14.850 -5.165 2.232) 15.880 3.487 ( -8.719 -4.885 -8.469) 13.100 3.582 ( -11.640 0.035 -4.669) 12.541 4.838 ( -20.884 -7.502 4.643) 22.671 5.394 ( -7.100 -8.749 3.958) 11.943 6.605 ( -6.734 -0.962 -1.213) 6.909 7.521 ( -6.994 -4.528 -7.555) 11.247 7.823 ( 0.464 -3.576 -4.359) 5.657 11.224 ( 13.555 5.055 -0.134) 14.468 11.470 ( 15.226 7.028 4.828) 17.451 12.785 ( 21.783 2.396 -6.166) 22.765 14.032 ( -5.175 -0.585 -0.618) 5.244 15.864 ( -2.814 4.124 14.404) 15.245 15.902 ( -3.006 -1.184 -9.451) 9.988======================= Grid point 571 (109/213) =======================q-point: (-0.25 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( -18.223 0.228 11.255) 21.420 2.155 ( -19.117 -6.014 7.146) 21.277 3.238 ( -15.331 -4.222 -7.387) 17.534 3.391 ( -9.597 -1.713 -5.024) 10.967 4.346 ( -26.828 -8.238 7.211) 28.975 5.252 ( -2.003 -5.291 -3.449) 6.626 6.485 ( -6.074 -1.091 -0.925) 6.240 7.297 ( -13.160 -5.910 -10.044) 17.578 7.872 ( 9.180 -1.755 -2.172) 9.595 11.493 ( 13.072 2.947 0.426) 13.407 11.853 ( 20.075 9.028 8.499) 23.595 13.150 ( 21.125 -2.735 -9.482) 23.316 13.959 ( -3.378 1.016 -1.629) 3.885 15.672 ( -10.812 -8.728 4.577) 14.629 15.993 ( 0.221 13.157 3.074) 13.513======================= Grid point 572 (110/213) =======================q-point: (-0.19 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( -17.091 0.140 16.249) 23.583 1.756 ( -20.541 -4.805 13.571) 25.084 2.895 ( -20.841 -3.029 4.470) 21.530 3.228 ( -7.129 -2.626 -6.861) 10.237 3.818 ( -26.624 -4.658 4.207) 27.353 5.208 ( 1.192 -3.011 -10.947) 11.416 6.383 ( -4.739 -0.871 -0.698) 4.869 6.981 ( -17.124 -5.322 -11.359) 21.227 8.119 ( 21.836 -0.066 4.446) 22.285 11.706 ( 10.119 -0.157 1.403) 10.217 12.290 ( 19.593 8.935 9.763) 23.643 13.428 ( 18.284 -9.374 -11.638) 23.614 13.941 ( -1.316 3.049 -3.370) 4.732 15.337 ( -18.084 -9.514 2.930) 20.643 16.161 ( 3.300 15.620 6.525) 17.246======================= Grid point 577 (111/213) =======================q-point: ( 0.12 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 12.012 15.988 12.987) 23.845 2.084 ( 9.608 18.521 8.099) 22.382 3.220 ( 9.624 12.067 -7.077) 16.980 3.367 ( 6.367 11.805 -5.892) 14.650 4.266 ( 14.329 23.811 8.173) 28.967 5.141 ( -5.754 1.720 -5.272) 7.991 6.473 ( 2.942 5.750 -0.736) 6.501 7.211 ( 5.019 13.441 -10.593) 17.835 7.796 ( -11.100 -7.713 -0.897) 13.547 11.505 ( -7.564 -9.961 0.256) 12.510 11.965 ( -10.714 -20.527 10.280) 25.335 13.046 ( -13.419 -12.461 -9.290) 20.534 13.991 ( 2.696 1.147 -2.498) 3.850 15.496 ( -1.754 13.955 4.668) 14.819 16.301 ( 13.915 -8.620 2.281) 16.527======================= Grid point 578 (112/213) =======================q-point: ( 0.19 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.342 ( 10.368 17.115 9.901) 22.326 2.423 ( 10.848 14.649 4.052) 18.674 3.405 ( 3.835 7.448 -6.381) 10.531 3.701 ( 15.158 12.380 -13.029) 23.512 4.739 ( 15.613 19.746 10.633) 27.326 5.061 ( -5.725 3.383 0.217) 6.653 6.590 ( 3.529 6.840 -0.820) 7.741 7.396 ( 3.845 7.536 -8.482) 11.979 7.611 ( -6.185 1.124 -3.793) 7.342 11.267 ( -8.627 -10.014 -0.624) 13.232 11.584 ( -12.945 -14.287 6.681) 20.404 12.719 ( -10.262 -14.630 -5.601) 18.727 14.065 ( 3.549 3.264 -1.388) 5.018 15.561 ( -3.563 9.146 3.814) 10.531 16.425 ( 10.339 -8.679 0.898) 13.529======================= Grid point 579 (113/213) =======================q-point: ( 0.25 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( 6.366 16.920 5.822) 18.992 2.729 ( 10.468 10.990 1.036) 15.213 3.536 ( 4.116 5.958 -3.105) 7.879 4.022 ( 8.162 9.113 -15.421) 19.684 5.027 ( 0.013 6.878 5.949) 9.094 5.187 ( 15.428 12.547 8.510) 21.630 6.719 ( 3.185 7.522 -0.963) 8.225 7.462 ( 0.199 2.235 -3.208) 3.915 7.632 ( 1.753 7.050 -6.336) 9.640 11.032 ( -8.617 -7.966 -1.277) 11.804 11.276 ( -9.338 -9.142 3.198) 13.453 12.400 ( -10.138 -15.546 -2.843) 18.776 14.173 ( 3.885 5.514 -0.617) 6.773 15.568 ( -3.870 5.838 2.649) 7.488 16.475 ( 5.785 -9.052 0.056) 10.743======================= Grid point 580 (114/213) =======================q-point: ( 0.31 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.873 ( 0.877 14.910 1.186) 14.982 2.992 ( 9.607 8.156 -1.179) 12.658 3.654 ( 3.917 3.229 0.617) 5.113 4.128 ( -5.267 9.670 -9.718) 14.687 5.159 ( 7.776 5.241 1.790) 9.546 5.543 ( 14.566 6.893 9.077) 18.496 6.838 ( 1.863 7.614 -1.135) 7.920 7.511 ( 2.854 2.960 0.765) 4.183 7.734 ( 2.491 5.354 -5.715) 8.218 10.816 ( -8.775 -5.830 -0.651) 10.556 11.113 ( -1.899 -4.484 0.186) 4.873 12.076 ( -10.259 -14.860 -1.524) 18.121 14.293 ( 2.546 7.277 -0.303) 7.716 15.557 ( -2.572 3.781 2.093) 5.029 16.448 ( 1.795 -9.157 -0.992) 9.384======================= Grid point 581 (115/213) =======================q-point: ( 0.38 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.977 ( -3.639 11.551 -1.734) 12.234 3.205 ( 6.662 6.252 -3.403) 9.750 3.703 ( -0.612 -0.033 3.259) 3.316 4.106 ( -8.526 12.919 -3.809) 15.941 5.332 ( 7.105 2.210 -0.646) 7.469 5.801 ( 11.642 0.069 7.701) 13.958 6.923 ( -0.324 6.950 -1.333) 7.084 7.602 ( 4.666 1.475 3.025) 5.753 7.816 ( 1.771 4.291 -3.699) 5.936 10.644 ( -5.662 -3.135 0.116) 6.473 11.108 ( 3.730 -1.213 -1.352) 4.149 11.781 ( -8.080 -12.264 -1.331) 14.747 14.386 ( -0.601 7.713 -0.302) 7.742 15.565 ( -0.169 3.083 2.069) 3.716 16.365 ( -0.981 -8.850 -2.018) 9.130======================= Grid point 582 (116/213) =======================q-point: ( 0.44 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.986 ( -6.576 8.621 -2.060) 11.037 3.308 ( -2.527 5.267 -5.760) 8.204 3.658 ( -1.976 -1.186 4.563) 5.112 4.103 ( -7.172 12.149 -1.250) 14.164 5.423 ( 2.395 -0.342 -1.031) 2.629 5.925 ( 6.165 -6.086 6.807) 11.018 6.957 ( -2.956 5.483 -1.472) 6.400 7.674 ( 3.432 -1.556 1.295) 3.984 7.879 ( 1.106 3.464 -0.103) 3.637 10.579 ( -0.126 0.320 0.367) 0.503 11.163 ( 2.411 -2.230 -1.523) 3.620 11.620 ( 1.833 -5.635 -1.588) 6.135 14.413 ( -4.378 6.313 -0.316) 7.689 15.616 ( 2.128 3.991 1.997) 4.944 16.252 ( -2.325 -8.214 -2.423) 8.874======================= Grid point 584 (117/213) =======================q-point: (-0.50 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.930 ( -8.950 6.858 -0.529) 11.288 3.207 ( -13.662 4.245 -4.246) 14.923 3.646 ( 1.802 -2.490 1.562) 3.448 4.077 ( -8.752 9.562 -1.665) 13.070 5.409 ( -2.595 -1.860 -0.835) 3.300 5.887 ( -1.035 -10.610 7.136) 12.829 6.930 ( -5.426 3.572 -1.451) 6.656 7.683 ( 0.591 -3.451 -2.170) 4.119 7.913 ( 0.003 0.989 1.866) 2.112 10.646 ( 5.669 3.452 0.109) 6.638 11.127 ( -0.808 -4.027 -1.336) 4.320 11.756 ( 14.688 1.108 -1.394) 14.796 14.364 ( -7.102 3.780 -0.215) 8.048 15.711 ( 3.135 6.106 1.349) 6.995 16.133 ( -2.581 -7.515 -1.578) 8.101======================= Grid point 585 (118/213) =======================q-point: (-0.44 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.815 ( -12.460 6.245 2.686) 14.194 2.973 ( -16.400 1.470 -2.289) 16.624 3.634 ( -0.431 -3.388 -2.707) 4.358 3.987 ( -11.480 6.978 -3.880) 13.984 5.304 ( -7.432 -2.264 -0.239) 7.773 5.692 ( -7.607 -13.170 8.246) 17.301 6.848 ( -7.204 1.782 -1.290) 7.532 7.636 ( -1.415 -4.095 -4.530) 6.269 7.890 ( -2.124 -2.268 0.091) 3.109 10.823 ( 9.810 4.677 -0.713) 10.891 11.125 ( 4.573 -0.893 0.185) 4.663 12.071 ( 19.607 1.934 -1.627) 19.769 14.258 ( -8.035 1.520 -0.211) 8.180 15.836 ( 2.913 8.542 -0.268) 9.029 16.018 ( -2.729 -6.921 1.125) 7.524======================= Grid point 586 (119/213) =======================q-point: (-0.38 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.611 ( -19.022 5.793 7.047) 21.096 2.706 ( -14.470 -1.914 -0.588) 14.608 3.559 ( -4.611 -3.154 -6.493) 8.566 3.827 ( -14.067 4.629 -6.873) 16.326 5.100 ( -15.089 -2.272 2.360) 15.440 5.414 ( -8.147 -12.934 7.354) 16.963 6.729 ( -7.964 0.486 -1.066) 8.049 7.562 ( -2.878 -3.974 -6.147) 7.865 7.804 ( -3.293 -4.870 -3.118) 6.655 11.046 ( 11.846 2.944 -1.424) 12.290 11.284 ( 12.613 3.303 3.249) 13.437 12.429 ( 20.983 0.088 -3.050) 21.204 14.136 ( -7.213 0.562 -0.586) 7.258 15.889 ( -2.851 -8.146 -1.266) 8.723 15.982 ( 1.059 12.416 4.054) 13.104======================= Grid point 587 (120/213) =======================q-point: (-0.31 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.309 ( -20.908 3.102 9.481) 23.166 2.425 ( -17.153 -2.122 3.885) 17.715 3.419 ( -8.990 -1.756 -8.770) 12.681 3.609 ( -15.644 2.728 -8.084) 17.819 4.731 ( -24.498 -2.865 7.586) 25.805 5.218 ( -2.443 -8.897 1.278) 9.315 6.596 ( -7.639 -0.210 -0.860) 7.690 7.438 ( -8.338 -3.594 -8.306) 12.306 7.730 ( 2.361 -5.743 -4.024) 7.399 11.282 ( 13.638 0.955 -0.683) 13.688 11.587 ( 18.401 3.794 6.500) 19.880 12.767 ( 20.179 -2.907 -5.711) 21.172 14.038 ( -4.983 1.070 -1.461) 5.302 15.729 ( -6.289 -8.915 3.225) 11.377 16.135 ( 0.681 15.269 1.870) 15.399======================= Grid point 595 (121/213) =======================q-point: ( 0.19 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( 9.352 13.923 6.601) 18.024 2.696 ( 9.426 15.987 2.902) 18.785 3.528 ( 2.610 4.764 -6.119) 8.182 3.932 ( 13.095 11.198 -11.833) 20.902 5.096 ( 10.784 14.472 5.525) 18.875 5.174 ( -6.867 9.713 6.211) 13.419 6.733 ( 4.100 7.551 -0.767) 8.627 7.495 ( -0.999 3.485 -5.428) 6.527 7.704 ( -1.687 6.864 -4.334) 8.291 11.069 ( -6.123 -9.841 -1.805) 11.730 11.321 ( -7.562 -12.528 3.877) 15.138 12.415 ( -10.475 -16.353 -2.548) 19.587 14.154 ( 4.685 5.834 -0.833) 7.529 15.719 ( -6.048 7.046 1.240) 9.369 16.244 ( 10.020 -9.537 1.605) 13.926======================= Grid point 596 (122/213) =======================q-point: ( 0.25 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.923 ( 8.229 8.880 -0.431) 12.114 2.999 ( 4.353 17.869 5.588) 19.221 3.613 ( 3.815 1.912 -1.869) 4.659 4.223 ( 7.148 11.190 -11.709) 17.703 5.161 ( -1.884 6.789 3.944) 8.075 5.404 ( 10.181 8.961 7.099) 15.309 6.874 ( 3.320 8.161 -0.655) 8.834 7.511 ( 0.120 2.562 -1.944) 3.218 7.767 ( 0.600 6.583 -3.334) 7.403 10.881 ( -6.428 -7.663 -2.160) 10.233 11.115 ( -4.542 -6.748 1.635) 8.297 12.088 ( -9.418 -16.157 -0.630) 18.712 14.304 ( 4.856 7.802 -0.382) 9.198 15.674 ( -5.878 5.040 0.340) 7.750 16.284 ( 6.105 -10.137 0.741) 11.856======================= Grid point 597 (123/213) =======================q-point: ( 0.31 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.115 ( 3.520 7.230 -3.397) 8.729 3.189 ( 1.488 13.684 3.925) 14.313 3.692 ( 3.052 1.536 3.358) 4.791 4.369 ( -4.219 14.086 -8.159) 16.817 5.243 ( 5.051 3.275 1.132) 6.126 5.617 ( 9.485 0.565 5.624) 11.042 6.996 ( 1.170 8.377 -0.601) 8.480 7.550 ( 2.339 0.668 0.779) 2.555 7.842 ( 1.054 5.609 -1.186) 5.829 10.704 ( -6.075 -5.607 -1.369) 8.380 11.050 ( 1.249 -1.707 -0.203) 2.125 11.786 ( -8.138 -14.560 0.001) 16.680 14.454 ( 2.607 8.854 -0.334) 9.236 15.632 ( -3.814 3.996 0.467) 5.544 16.257 ( 2.605 -10.133 -0.494) 10.474======================= Grid point 598 (124/213) =======================q-point: ( 0.38 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.162 ( -4.700 6.694 -2.661) 8.601 3.351 ( 4.146 8.250 0.924) 9.279 3.715 ( -3.092 1.781 6.088) 7.056 4.388 ( -9.607 15.368 -5.451) 18.926 5.357 ( 5.239 0.516 -1.016) 5.362 5.735 ( 7.951 -6.860 4.577) 11.455 7.067 ( -2.158 7.600 -0.710) 7.932 7.594 ( 3.526 -2.169 1.433) 4.381 7.906 ( 0.476 4.507 1.520) 4.780 10.591 ( -2.206 -2.343 -0.947) 3.354 11.096 ( 3.716 0.082 -0.568) 3.760 11.554 ( -3.272 -10.689 -0.246) 11.181 14.545 ( -2.117 8.033 -0.495) 8.322 15.637 ( -0.154 4.395 0.891) 4.487 16.182 ( 0.191 -9.630 -1.417) 9.736======================= Grid point 599 (125/213) =======================q-point: (-0.56 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.115 ( -6.937 4.580 -1.833) 8.513 3.461 ( -2.770 9.126 0.412) 9.546 3.624 ( -5.877 -1.974 5.409) 8.227 4.357 ( -10.848 13.481 -4.930) 17.992 5.409 ( 0.944 -0.849 -1.140) 1.707 5.750 ( 4.232 -11.324 4.578) 12.927 7.067 ( -5.399 5.487 -0.791) 7.738 7.620 ( 2.662 -3.721 0.064) 4.576 7.937 ( -0.912 2.185 3.055) 3.865 10.592 ( 3.247 0.795 -0.949) 3.475 11.108 ( -1.151 -3.018 -0.486) 3.267 11.539 ( 9.826 -2.730 -0.338) 10.204 14.532 ( -6.934 5.447 -0.433) 8.828 15.715 ( 3.134 5.973 0.388) 6.757 16.085 ( -1.001 -8.553 -1.050) 8.675======================= Grid point 600 (126/213) =======================q-point: (-0.50 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.022 ( -8.517 3.047 -0.881) 9.088 3.334 ( -18.734 6.212 5.205) 20.411 3.589 ( 2.248 -2.184 -1.325) 3.403 4.277 ( -12.535 10.294 -6.069) 17.318 5.374 ( -3.275 -2.066 -0.334) 3.887 5.653 ( -2.277 -11.928 5.948) 13.522 6.997 ( -7.553 2.929 -0.785) 8.139 7.607 ( 0.295 -3.889 -1.926) 4.350 7.914 ( -2.638 -0.896 1.897) 3.371 10.707 ( 7.994 2.386 -1.388) 8.457 11.061 ( 0.697 -2.461 -0.146) 2.562 11.771 ( 17.052 0.473 -0.082) 17.059 14.430 ( -9.418 2.786 -0.240) 9.825 15.839 ( 4.033 4.424 -3.141) 6.760 15.996 ( -0.990 -3.972 2.883) 5.007======================= Grid point 601 (127/213) =======================q-point: (-0.44 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.883 ( -10.940 1.794 0.598) 11.102 3.034 ( -20.726 2.110 5.884) 21.648 3.587 ( -1.288 -0.594 -4.271) 4.500 4.132 ( -14.586 7.199 -8.560) 18.381 5.268 ( -6.238 -2.436 0.623) 6.725 5.442 ( -9.657 -10.140 8.380) 16.319 6.877 ( -8.580 0.903 -0.766) 8.662 7.559 ( -1.537 -3.506 -3.676) 5.308 7.831 ( -4.495 -3.457 -1.351) 5.830 10.884 ( 9.992 1.412 -2.213) 10.331 11.120 ( 8.073 0.093 1.681) 8.246 12.088 ( 19.409 0.155 -0.688) 19.422 14.287 ( -9.366 1.304 -0.335) 9.462 15.836 ( -0.687 -8.246 -2.722) 8.711 16.065 ( 3.117 11.205 3.703) 12.205======================= Grid point 612 (128/213) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( 6.816 6.628 -1.457) 9.618 3.331 ( 1.960 15.289 6.126) 16.587 3.625 ( 5.217 -0.095 1.153) 5.343 4.436 ( 10.576 10.046 -9.459) 17.385 5.285 ( -4.121 5.783 2.374) 7.488 5.524 ( 2.374 3.285 4.185) 5.826 7.029 ( 4.347 7.458 -0.291) 8.637 7.549 ( -1.367 0.995 -0.994) 1.962 7.883 ( 0.550 5.097 0.771) 5.185 10.730 ( -4.470 -7.534 -2.124) 9.014 11.034 ( -1.113 -1.268 0.372) 1.728 11.779 ( -8.304 -15.235 0.585) 17.361 14.466 ( 5.748 8.398 -0.293) 10.181 15.764 ( -6.386 4.031 -2.005) 7.813 16.092 ( 5.115 -9.164 1.826) 10.653======================= Grid point 613 (129/213) =======================q-point: ( 0.31 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.230 ( 3.816 5.138 -2.617) 6.915 3.402 ( -2.645 6.173 2.383) 7.126 3.750 ( 3.782 5.131 9.088) 11.101 4.649 ( -0.425 13.977 -8.451) 16.339 5.292 ( 1.335 2.015 0.750) 2.531 5.563 ( 3.720 -5.958 1.989) 7.300 7.158 ( 1.393 8.088 0.073) 8.208 7.531 ( 0.425 -2.580 0.655) 2.696 7.942 ( 0.676 4.319 3.145) 5.385 10.603 ( -3.058 -4.471 -1.974) 5.765 11.053 ( 2.360 2.144 0.026) 3.188 11.518 ( -5.919 -12.705 0.830) 14.041 14.622 ( 2.477 7.832 -0.590) 8.236 15.715 ( -3.761 4.430 -0.680) 5.851 16.063 ( 2.455 -9.447 0.072) 9.761======================= Grid point 614 (130/213) =======================q-point: ( 0.38 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.261 ( -4.962 4.064 -2.140) 6.761 3.452 ( 4.192 1.138 0.797) 4.417 3.790 ( -5.734 5.324 11.407) 13.833 4.688 ( -10.681 14.666 -7.288) 19.552 5.364 ( 4.133 0.496 -1.239) 4.343 5.546 ( 5.219 -11.770 1.688) 12.985 7.212 ( -4.187 6.928 0.085) 8.096 7.526 ( 3.341 -4.510 0.951) 5.693 7.977 ( -0.769 2.513 4.587) 5.287 10.554 ( 0.836 -1.362 -1.954) 2.524 11.111 ( -0.223 1.379 0.290) 1.426 11.376 ( 3.442 -7.127 0.550) 7.934 14.680 ( -3.527 5.367 -0.804) 6.472 15.736 ( 0.554 5.529 -0.107) 5.557 16.000 ( 0.947 -8.595 -0.571) 8.666======================= Grid point 616 (131/213) =======================q-point: (-0.56 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.186 ( -7.369 3.002 -1.677) 8.132 3.509 ( 1.932 -4.345 0.570) 4.789 3.677 ( -12.049 6.352 9.914) 16.847 4.601 ( -13.472 10.102 -8.052) 18.665 5.376 ( -0.852 -4.307 0.295) 4.400 5.542 ( 4.470 -6.339 2.113) 8.039 7.155 ( -7.640 2.955 0.002) 8.191 7.547 ( 2.878 -3.009 0.061) 4.164 7.959 ( -2.920 0.034 3.860) 4.840 10.604 ( 5.455 0.324 -1.976) 5.811 11.060 ( -2.962 -1.592 0.075) 3.364 11.509 ( 13.803 -0.425 0.774) 13.831 14.613 ( -8.437 2.517 -0.546) 8.821 15.805 ( 1.732 -0.197 -2.481) 3.032 15.965 ( 2.456 -0.331 1.785) 3.054======================= Grid point 630 (132/213) =======================q-point: ( 0.31 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.323 ( 3.976 4.297 -1.372) 6.013 3.428 ( -3.297 -2.187 -0.065) 3.956 3.860 ( 3.021 4.147 13.681) 14.611 4.885 ( 6.473 8.841 -8.349) 13.776 5.333 ( -3.395 2.559 0.189) 4.256 5.408 ( -1.549 -8.511 -0.605) 8.672 7.304 ( 3.862 6.387 0.648) 7.492 7.456 ( -3.022 -4.683 0.850) 5.638 8.000 ( 0.679 1.480 5.413) 5.652 10.540 ( -1.024 -1.747 -2.383) 3.127 11.130 ( 2.809 5.299 0.559) 6.024 11.302 ( -4.867 -8.913 0.946) 10.199 14.737 ( 2.090 3.387 -0.998) 4.103 15.800 ( -0.476 3.777 -0.785) 3.887 15.906 ( -0.660 -5.824 0.162) 5.863======================= Grid point 813 (133/213) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 204Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( 0.000 0.000 20.064) 20.064 1.661 ( 0.000 0.000 20.064) 20.064 2.747 ( -0.000 0.000 36.705) 36.705 2.830 ( 0.000 -0.000 -10.567) 10.567 2.830 ( 0.000 0.000 -10.567) 10.567 4.807 ( 0.000 -0.000 -24.685) 24.685 6.251 ( 0.000 -0.000 -0.306) 0.306 6.251 ( 0.000 0.000 -0.306) 0.306 10.144 ( 0.000 0.000 1.442) 1.442 12.001 ( 0.000 -0.000 2.718) 2.718 12.001 ( 0.000 0.000 2.718) 2.718 13.878 ( 0.000 -0.000 -2.014) 2.014 13.878 ( 0.000 -0.000 -2.014) 2.014 14.485 ( -0.000 0.000 -0.419) 0.419 16.731 ( -0.000 0.000 0.496) 0.496======================= Grid point 814 (134/213) =======================q-point: ( 0.06 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 4.954 2.860 22.097) 22.825 1.733 ( 5.227 3.018 18.625) 19.578 2.669 ( -0.061 -0.035 8.488) 8.488 2.843 ( 1.862 1.075 -9.933) 10.163 3.145 ( 19.653 11.346 11.271) 25.338 4.822 ( 1.202 0.694 -22.320) 22.363 6.265 ( 1.321 0.763 -0.257) 1.547 6.352 ( 8.369 4.832 -1.594) 9.794 9.477 ( -43.956 -25.378 5.150) 51.017 11.940 ( -4.479 -2.586 3.141) 6.051 12.471 ( 25.672 14.822 -0.308) 29.645 13.681 ( -16.815 -9.708 -1.561) 19.479 13.900 ( 1.039 0.600 -2.498) 2.771 14.637 ( 13.064 7.543 -0.238) 15.087 16.643 ( -5.867 -3.387 1.116) 6.866======================= Grid point 815 (135/213) =======================q-point: ( 0.12 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( 10.880 6.282 22.683) 25.929 1.887 ( 8.226 4.749 15.499) 18.178 2.758 ( 7.571 4.371 -5.782) 10.481 2.914 ( 4.407 2.544 -8.313) 9.746 3.657 ( 24.975 14.420 12.764) 31.537 4.858 ( 1.853 1.070 -15.953) 16.096 6.310 ( 2.735 1.579 -0.290) 3.172 6.596 ( 12.567 7.256 -3.512) 14.930 8.539 ( -36.298 -20.956 5.313) 42.248 11.802 ( -7.638 -4.410 2.826) 9.262 12.825 ( 3.243 1.872 6.822) 7.782 13.173 ( -24.383 -14.078 -6.741) 28.951 13.926 ( 1.414 0.816 -2.428) 2.926 15.002 ( 16.831 9.717 1.762) 19.514 16.547 ( -1.751 -1.011 -1.317) 2.413======================= Grid point 816 (136/213) =======================q-point: ( 0.19 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( 9.478 5.472 10.887) 15.437 2.168 ( 13.378 7.724 18.622) 24.195 2.993 ( 12.932 7.466 -15.891) 21.806 3.041 ( 6.836 3.947 -5.462) 9.599 4.242 ( 26.312 15.191 12.047) 32.683 4.902 ( 2.071 1.196 -7.471) 7.844 6.387 ( 3.996 2.307 -0.402) 4.631 6.890 ( 12.964 7.485 -4.365) 15.593 7.885 ( -21.698 -12.527 3.045) 25.239 11.599 ( -10.238 -5.911 2.044) 11.998 12.411 ( -28.824 -16.642 9.974) 34.745 12.932 ( -5.023 -2.900 -7.852) 9.762 13.967 ( 2.216 1.279 -1.958) 3.222 15.312 ( 10.037 5.795 4.416) 12.403 16.558 ( 1.969 1.137 -5.222) 5.696======================= Grid point 817 (137/213) =======================q-point: ( 0.25 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.299 ( 8.714 5.031 5.332) 11.388 2.459 ( 12.009 6.934 11.021) 17.713 3.220 ( 8.978 5.183 -1.736) 10.511 3.318 ( 15.023 8.674 -19.187) 25.866 4.808 ( 21.464 12.392 8.441) 26.182 4.968 ( 6.003 3.466 3.041) 7.569 6.487 ( 4.813 2.779 -0.565) 5.586 7.165 ( 11.222 6.479 -4.174) 13.614 7.548 ( -8.694 -5.019 2.286) 10.296 11.348 ( -11.822 -6.825 1.257) 13.708 11.808 ( -23.424 -13.524 5.457) 27.593 12.762 ( -10.022 -5.786 -3.899) 12.211 14.027 ( 3.154 1.821 -1.369) 3.891 15.465 ( 4.157 2.400 5.094) 6.999 16.600 ( 1.071 0.618 -7.042) 7.150======================= Grid point 818 (138/213) =======================q-point: ( 0.31 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.472 ( 6.443 3.720 0.302) 7.446 2.706 ( 9.904 5.718 3.091) 11.847 3.438 ( 10.040 5.797 1.495) 11.689 3.615 ( 10.048 5.801 -15.859) 19.650 5.017 ( 6.012 3.471 2.758) 7.470 5.371 ( 21.056 12.156 11.799) 27.025 6.598 ( 4.892 2.824 -0.748) 5.698 7.390 ( 8.586 4.957 -3.595) 10.546 7.467 ( 0.956 0.552 3.462) 3.633 11.078 ( -11.786 -6.805 0.833) 13.635 11.380 ( -14.293 -8.252 2.040) 16.630 12.493 ( -13.529 -7.811 -2.585) 15.834 14.106 ( 3.654 2.110 -0.882) 4.311 15.526 ( 1.708 0.986 4.662) 5.063 16.592 ( -1.835 -1.059 -7.340) 7.640======================= Grid point 819 (139/213) =======================q-point: ( 0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( 3.779 2.182 -2.867) 5.221 2.902 ( 7.357 4.248 -3.325) 9.123 3.657 ( 8.980 5.185 3.061) 10.812 3.748 ( 2.177 1.257 -7.466) 7.878 5.186 ( 8.386 4.842 1.897) 9.868 5.797 ( 16.275 9.396 10.398) 21.477 6.701 ( 4.080 2.355 -0.952) 4.806 7.541 ( 5.206 3.006 -4.892) 7.750 7.570 ( 6.968 4.023 6.586) 10.398 10.832 ( -9.683 -5.590 0.843) 11.212 11.163 ( -5.126 -2.960 -0.356) 5.930 12.168 ( -14.869 -8.585 -2.310) 17.324 14.185 ( 3.243 1.872 -0.554) 3.786 15.558 ( 1.343 0.775 4.108) 4.391 16.520 ( -4.314 -2.491 -6.842) 8.463======================= Grid point 820 (140/213) =======================q-point: ( 0.44 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.644 ( 1.295 0.748 -4.080) 4.345 3.022 ( 2.912 1.682 -7.630) 8.338 3.755 ( -0.536 -0.309 0.630) 0.883 3.826 ( 5.721 3.303 3.118) 7.304 5.355 ( 5.892 3.402 0.072) 6.804 6.093 ( 9.746 5.627 8.373) 14.027 6.776 ( 2.433 1.405 -1.191) 3.052 7.633 ( 2.730 1.576 -5.613) 6.438 7.738 ( 7.452 4.302 7.231) 11.239 10.657 ( -5.528 -3.191 1.078) 6.473 11.133 ( 1.869 1.079 -1.385) 2.564 11.849 ( -12.534 -7.237 -2.482) 14.685 14.244 ( 1.831 1.057 -0.328) 2.140 15.592 ( 1.698 0.980 3.453) 3.970 16.409 ( -5.220 -3.014 -5.380) 8.080======================= Grid point 821 (141/213) =======================q-point: (-0.50 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.647 ( -1.001 -0.578 -3.737) 3.911 3.027 ( -2.283 -1.318 -7.594) 8.039 3.750 ( 0.048 0.027 3.389) 3.390 3.905 ( 1.166 0.673 2.272) 2.641 5.432 ( 0.805 0.465 -0.881) 1.281 6.226 ( 1.928 1.113 6.244) 6.628 6.807 ( 0.219 0.126 -1.430) 1.452 7.663 ( -0.049 -0.028 -5.338) 5.339 7.877 ( 4.411 2.547 4.262) 6.642 10.593 ( -0.006 -0.004 1.224) 1.224 11.186 ( 0.633 0.365 -1.813) 1.955 11.672 ( -0.842 -0.486 -2.256) 2.456 14.263 ( -0.233 -0.135 -0.124) 0.297 15.633 ( 1.824 1.053 2.213) 3.055 16.299 ( -4.281 -2.471 -2.404) 5.497======================= Grid point 823 (142/213) =======================q-point: (-0.44 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.599 ( -3.189 -1.841 -2.109) 4.243 2.938 ( -5.156 -2.977 -4.312) 7.352 3.739 ( -1.611 -0.930 1.744) 2.550 3.878 ( -3.461 -1.998 0.839) 4.083 5.394 ( -4.069 -2.349 -1.422) 4.909 6.177 ( -6.244 -3.605 4.525) 8.513 6.785 ( -2.102 -1.213 -1.571) 2.891 7.635 ( -2.324 -1.342 -5.430) 6.057 7.923 ( -0.406 -0.234 -0.356) 0.588 10.658 ( 5.649 3.261 1.056) 6.608 11.146 ( -2.027 -1.170 -2.001) 3.079 11.830 ( 12.764 7.369 -1.703) 14.836 14.233 ( -2.333 -1.347 0.107) 2.696 15.670 ( 1.459 0.842 -0.061) 1.685 16.224 ( -2.338 -1.350 2.348) 3.578======================= Grid point 824 (143/213) =======================q-point: (-0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.504 ( -5.260 -3.037 0.629) 6.107 2.808 ( -6.252 -3.610 -0.678) 7.251 3.653 ( -6.354 -3.668 -1.310) 7.453 3.756 ( -7.151 -4.129 -1.076) 8.327 5.258 ( -7.776 -4.490 -1.234) 9.064 5.955 ( -13.063 -7.542 2.985) 15.376 6.715 ( -3.966 -2.290 -1.541) 4.831 7.565 ( -3.807 -2.198 -5.909) 7.365 7.864 ( -4.513 -2.606 -5.029) 7.242 10.839 ( 10.153 5.862 0.563) 11.737 11.170 ( 4.910 2.835 -0.753) 5.719 12.170 ( 16.456 9.501 -2.495) 19.165 14.162 ( -3.846 -2.220 0.380) 4.457 15.698 ( 1.017 0.587 -2.917) 3.145 16.188 ( -1.123 -0.648 7.935) 8.040======================= Grid point 825 (144/213) =======================q-point: (-0.31 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.364 ( -7.090 -4.094 4.287) 9.242 2.656 ( -7.370 -4.255 3.759) 9.303 3.447 ( -11.699 -6.754 -5.734) 14.675 3.567 ( -9.290 -5.364 -3.355) 11.240 5.042 ( -11.759 -6.789 1.404) 13.651 5.617 ( -15.958 -9.213 0.129) 18.427 6.613 ( -4.938 -2.851 -1.357) 5.861 7.458 ( -6.250 -3.608 -6.699) 9.847 7.754 ( -3.873 -2.236 -7.711) 8.914 11.101 ( 12.636 7.295 -0.060) 14.591 11.383 ( 13.979 8.071 1.762) 16.238 12.544 ( 16.260 9.388 -4.897) 19.404 14.068 ( -4.365 -2.520 0.655) 5.083 15.713 ( 0.120 0.070 -5.596) 5.598 16.162 ( -1.293 -0.747 12.999) 13.084======================= Grid point 826 (145/213) =======================q-point: (-0.25 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.188 ( -8.373 -4.834 8.589) 12.933 2.465 ( -9.878 -5.703 11.024) 15.863 3.154 ( -13.402 -7.738 -11.424) 19.235 3.351 ( -9.624 -5.556 -5.770) 12.521 4.698 ( -19.172 -11.069 7.204) 23.281 5.286 ( -12.524 -7.231 -5.635) 15.521 6.500 ( -4.915 -2.838 -1.094) 5.780 7.253 ( -11.865 -6.850 -7.615) 15.674 7.760 ( 5.396 3.115 -6.688) 9.141 11.392 ( 12.767 7.371 -0.482) 14.750 11.784 ( 20.913 12.074 5.612) 24.791 12.891 ( 14.376 8.300 -9.081) 18.922 13.973 ( -3.806 -2.197 0.802) 4.467 15.678 ( -4.195 -2.422 -7.063) 8.564 16.138 ( -0.230 -0.133 15.901) 15.903======================= Grid point 827 (146/213) =======================q-point: (-0.19 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( -8.563 -4.944 13.064) 16.384 2.208 ( -12.543 -7.242 19.115) 23.982 2.882 ( -10.145 -5.857 -13.461) 17.845 3.146 ( -8.330 -4.809 -7.971) 12.492 4.194 ( -24.594 -14.200 11.474) 30.630 5.056 ( -8.158 -4.710 -11.403) 14.791 6.397 ( -4.109 -2.373 -0.827) 4.817 6.947 ( -14.715 -8.496 -6.923) 18.348 8.020 ( 18.148 10.478 -2.741) 21.134 11.660 ( 10.719 6.189 -0.363) 12.382 12.274 ( 20.776 11.995 10.169) 26.056 13.192 ( 12.553 7.247 -14.130) 20.243 13.902 ( -2.425 -1.400 0.610) 2.866 15.479 ( -13.990 -8.077 -4.604) 16.798 16.188 ( 5.105 2.947 13.200) 14.456======================= Grid point 828 (147/213) =======================q-point: (-0.12 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( -7.034 -4.061 16.985) 18.827 1.934 ( -10.894 -6.290 22.764) 26.009 2.705 ( -5.430 -3.135 -6.464) 9.006 2.983 ( -6.022 -3.477 -9.589) 11.845 3.631 ( -24.503 -14.147 13.728) 31.448 4.909 ( -4.998 -2.886 -17.260) 18.199 6.318 ( -2.873 -1.658 -0.599) 3.371 6.616 ( -13.922 -8.038 -4.597) 16.720 8.598 ( 33.310 19.232 2.645) 38.554 11.863 ( 7.154 4.130 0.440) 8.272 12.602 ( 5.061 2.922 8.946) 10.686 13.479 ( 13.285 7.670 -13.272) 20.285 13.866 ( -0.804 -0.464 -0.068) 0.931 15.068 ( -21.020 -12.136 -1.895) 24.345 16.367 ( 10.402 6.005 8.081) 14.476======================= Grid point 829 (148/213) =======================q-point: (-0.06 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( -3.603 -2.080 19.515) 19.954 1.741 ( -6.066 -3.502 21.565) 22.674 2.652 ( 1.182 0.682 6.972) 7.105 2.876 ( -3.376 -1.949 -10.446) 11.150 3.129 ( -19.178 -11.072 13.009) 25.683 4.829 ( -2.113 -1.220 -22.491) 22.623 6.269 ( -1.492 -0.862 -0.424) 1.775 6.352 ( -8.738 -5.045 -1.669) 10.226 9.487 ( 42.726 24.668 4.660) 49.555 11.978 ( 3.028 1.748 1.660) 3.870 12.410 ( -21.242 -12.264 1.995) 24.609 13.761 ( 10.163 5.868 -5.024) 12.766 13.863 ( 0.383 0.221 -1.081) 1.169 14.642 ( -14.053 -8.113 -0.550) 16.236 16.612 ( 9.701 5.601 2.854) 11.560======================= Grid point 831 (149/213) =======================q-point: ( 0.06 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( 6.223 6.792 19.010) 21.125 1.860 ( 4.207 9.753 20.984) 23.519 2.692 ( 4.048 3.518 -2.853) 6.075 2.924 ( 0.680 6.279 -9.250) 11.201 3.496 ( 14.546 23.106 13.375) 30.404 4.864 ( 0.374 3.672 -18.399) 18.765 6.300 ( 1.245 2.750 -0.408) 3.046 6.527 ( 6.621 12.574 -3.445) 14.622 8.790 ( -23.862 -37.602 4.760) 44.788 11.874 ( -5.906 -5.193 1.956) 8.104 12.698 ( 10.212 2.606 4.916) 11.629 13.431 ( -20.169 -14.396 -6.631) 25.652 13.894 ( 2.388 -0.491 -2.270) 3.331 14.927 ( 9.770 20.719 -0.042) 22.907 16.497 ( 0.812 -10.146 2.988) 10.608======================= Grid point 832 (150/213) =======================q-point: ( 0.12 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.015 ( 9.174 8.918 14.220) 19.129 2.070 ( 8.263 11.620 19.488) 24.148 2.855 ( 9.496 5.965 -12.211) 16.579 3.030 ( 3.251 8.639 -7.554) 11.927 4.019 ( 20.416 21.711 12.450) 32.299 4.909 ( 0.304 4.178 -11.343) 12.092 6.365 ( 2.500 3.911 -0.424) 4.661 6.791 ( 9.516 12.071 -4.724) 16.081 8.102 ( -21.657 -21.170 2.748) 30.410 11.692 ( -8.256 -7.288 1.754) 11.151 12.624 ( -13.750 -20.739 13.785) 28.447 12.997 ( -11.342 -5.190 -12.615) 17.740 13.932 ( 2.532 0.202 -2.289) 3.419 15.271 ( 7.511 16.025 2.794) 17.917 16.471 ( 5.159 -6.074 -1.289) 8.073======================= Grid point 833 (151/213) =======================q-point: ( 0.19 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( 7.109 11.053 8.394) 15.594 2.346 ( 10.666 10.161 14.200) 20.461 3.107 ( 11.692 6.228 -11.977) 17.859 3.215 ( 7.963 11.549 -9.978) 17.215 4.581 ( 21.851 18.792 11.200) 30.920 4.954 ( 0.507 3.982 -3.323) 5.211 6.458 ( 3.349 4.972 -0.515) 6.017 7.064 ( 9.693 9.885 -4.834) 14.665 7.667 ( -12.575 -8.839 1.359) 15.431 11.457 ( -10.011 -8.816 1.081) 13.383 12.059 ( -23.369 -18.549 7.580) 30.784 12.822 ( -6.165 -8.267 -5.530) 11.701 13.989 ( 3.316 1.470 -1.753) 4.028 15.470 ( 1.892 9.321 4.822) 10.664 16.522 ( 5.831 -4.437 -5.049) 8.898======================= Grid point 834 (152/213) =======================q-point: ( 0.25 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( 4.314 11.609 3.247) 12.803 2.607 ( 9.523 8.112 6.472) 14.085 3.344 ( 9.245 7.189 -2.301) 11.935 3.510 ( 11.415 10.942 -15.694) 22.278 4.985 ( 3.027 6.042 1.689) 6.966 5.136 ( 20.158 12.675 11.217) 26.322 6.570 ( 3.562 5.663 -0.648) 6.721 7.301 ( 8.404 7.051 -3.944) 11.658 7.492 ( -3.419 -0.324 1.811) 3.882 11.192 ( -10.561 -8.958 0.451) 13.856 11.555 ( -17.700 -12.125 3.786) 21.786 12.595 ( -9.526 -10.886 -2.911) 14.755 14.072 ( 3.672 3.091 -1.167) 4.939 15.543 ( -0.679 4.908 4.864) 6.943 16.555 ( 2.960 -4.838 -6.472) 8.606======================= Grid point 835 (153/213) =======================q-point: ( 0.31 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.619 ( 0.949 11.231 -0.502) 11.282 2.826 ( 7.825 6.615 -0.193) 10.249 3.565 ( 8.545 6.377 1.055) 10.715 3.745 ( 4.352 8.218 -11.091) 14.474 5.105 ( 6.149 5.135 2.869) 8.509 5.586 ( 18.674 9.238 10.431) 23.300 6.683 ( 2.955 5.791 -0.801) 6.550 7.483 ( 6.720 4.195 -1.629) 8.087 7.519 ( 2.973 4.915 2.037) 6.095 10.938 ( -9.820 -7.232 0.262) 12.198 11.235 ( -9.115 -6.668 0.960) 11.334 12.298 ( -12.147 -11.769 -2.079) 17.040 14.167 ( 3.008 4.482 -0.738) 5.448 15.565 ( -0.632 2.553 4.303) 5.043 16.523 ( -0.515 -5.611 -6.631) 8.701======================= Grid point 836 (154/213) =======================q-point: ( 0.38 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.714 ( -2.214 10.628 -2.167) 11.070 2.992 ( 4.607 5.047 -5.455) 8.744 3.724 ( 4.161 1.568 0.628) 4.491 3.845 ( -0.016 8.722 -1.520) 8.853 5.274 ( 7.454 3.906 1.037) 8.479 5.932 ( 14.272 4.031 8.800) 17.245 6.776 ( 1.505 5.279 -0.985) 5.577 7.605 ( 3.563 2.656 -4.327) 6.202 7.661 ( 6.735 5.956 6.215) 10.930 10.730 ( -7.436 -4.787 0.592) 8.864 11.115 ( -0.501 -1.956 -0.783) 2.166 11.973 ( -12.371 -10.955 -2.068) 16.653 14.252 ( 1.208 5.062 -0.461) 5.225 15.583 ( 0.543 1.532 3.691) 4.033 16.436 ( -2.843 -5.870 -5.881) 8.783======================= Grid point 837 (155/213) =======================q-point: ( 0.44 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.754 ( -5.052 10.117 -2.215) 11.523 3.064 ( -1.020 2.931 -8.228) 8.794 3.748 ( -0.121 -0.266 2.700) 2.716 3.932 ( -0.153 6.994 1.898) 7.249 5.400 ( 3.883 1.113 -0.462) 4.066 6.137 ( 8.168 -1.278 6.761) 10.680 6.831 ( -0.588 4.180 -1.197) 4.388 7.660 ( 1.012 0.829 -4.408) 4.598 7.825 ( 5.547 4.642 5.305) 8.970 10.609 ( -2.743 -1.794 0.886) 3.395 11.149 ( 3.619 0.262 -1.341) 3.868 11.705 ( -6.936 -7.003 -2.199) 10.099 14.299 ( -1.304 4.512 -0.231) 4.702 15.615 ( 1.558 1.367 2.747) 3.441 16.326 ( -3.264 -5.301 -3.872) 7.331======================= Grid point 838 (156/213) =======================q-point: (-0.50 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.742 ( -7.841 9.801 -1.268) 12.616 3.018 ( -5.957 0.665 -6.700) 8.990 3.740 ( -0.222 -1.329 2.981) 3.271 3.952 ( -4.002 4.043 1.135) 5.801 5.420 ( -1.162 -1.508 -1.257) 2.281 6.176 ( 0.653 -6.145 4.991) 7.943 6.835 ( -2.937 2.710 -1.376) 4.227 7.657 ( -1.379 -0.790 -4.444) 4.719 7.918 ( 1.523 1.527 1.818) 2.820 10.609 ( 2.950 1.523 0.878) 3.434 11.160 ( -1.448 -2.643 -1.824) 3.523 11.690 ( 8.647 2.000 -1.576) 9.014 14.293 ( -3.754 2.981 0.027) 4.794 15.658 ( 1.624 1.721 0.871) 2.522 16.234 ( -1.955 -4.058 -0.096) 4.505======================= Grid point 839 (157/213) =======================q-point: (-0.44 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( -10.854 9.330 0.278) 14.315 2.897 ( -7.460 -1.285 -2.967) 8.131 3.693 ( -2.961 -3.776 0.626) 4.840 3.876 ( -8.167 1.586 -0.461) 8.332 5.338 ( -5.695 -3.054 -1.577) 6.652 6.042 ( -7.066 -9.927 3.725) 12.742 6.786 ( -5.019 1.222 -1.431) 5.360 7.603 ( -3.184 -2.049 -4.798) 6.112 7.903 ( -2.876 -1.877 -2.762) 4.407 10.733 ( 8.093 4.173 0.467) 9.117 11.126 ( 1.595 -0.665 -1.288) 2.155 11.960 ( 16.620 5.648 -1.567) 17.624 14.234 ( -5.432 1.043 0.294) 5.539 15.700 ( 0.913 2.482 -1.981) 3.304 16.183 ( -0.323 -2.811 5.153) 5.879======================= Grid point 840 (158/213) =======================q-point: (-0.38 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.554 ( -13.364 7.333 2.553) 15.456 2.753 ( -7.625 -2.028 1.279) 7.993 3.552 ( -8.044 -6.344 -3.105) 10.705 3.714 ( -11.315 -0.555 -2.492) 11.599 5.176 ( -9.645 -3.550 -0.446) 10.287 5.760 ( -12.829 -11.942 2.207) 17.665 6.695 ( -6.331 0.064 -1.329) 6.469 7.514 ( -4.420 -2.998 -5.564) 7.712 7.799 ( -5.126 -3.984 -6.416) 9.128 10.949 ( 11.802 4.932 -0.228) 12.793 11.242 ( 10.207 4.628 0.659) 11.227 12.316 ( 18.376 5.134 -2.946) 19.306 14.137 ( -5.942 -0.599 0.490) 5.992 15.736 ( -0.176 3.386 -4.858) 5.924 16.159 ( 0.052 -2.008 10.369) 10.562======================= Grid point 841 (159/213) =======================q-point: (-0.31 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.376 ( -14.099 4.136 5.965) 15.858 2.591 ( -9.495 -2.201 6.964) 11.980 3.306 ( -12.580 -7.113 -8.669) 16.853 3.497 ( -12.243 -2.106 -4.633) 13.258 4.926 ( -16.163 -4.631 4.078) 17.301 5.415 ( -13.079 -10.958 -1.802) 17.158 6.581 ( -6.614 -0.594 -1.113) 6.733 7.373 ( -8.711 -4.774 -6.846) 12.064 7.708 ( 0.313 -2.636 -6.986) 7.473 11.217 ( 14.106 4.323 -0.578) 14.765 11.556 ( 18.403 9.184 3.578) 20.877 12.662 ( 17.728 2.497 -5.783) 18.814 14.031 ( -5.249 -1.319 0.478) 5.433 15.746 ( -2.990 2.539 -6.503) 7.594 16.144 ( -0.246 -0.138 13.677) 13.680======================= Grid point 842 (160/213) =======================q-point: (-0.25 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.168 ( -13.589 1.833 10.226) 17.106 2.374 ( -13.023 -3.549 14.769) 20.008 3.025 ( -12.575 -4.655 -13.813) 19.251 3.273 ( -11.171 -2.758 -6.696) 13.313 4.519 ( -24.875 -6.543 9.663) 27.477 5.143 ( -8.678 -7.121 -7.617) 13.566 6.467 ( -5.934 -0.792 -0.861) 6.049 7.123 ( -13.948 -5.887 -7.262) 16.791 7.803 ( 12.567 0.676 -4.426) 13.341 11.494 ( 13.810 2.999 -0.405) 14.138 12.017 ( 23.375 11.101 7.804) 27.028 12.954 ( 16.308 -1.908 -9.945) 19.196 13.943 ( -3.681 -0.701 0.014) 3.747 15.643 ( -10.313 -2.279 -4.204) 11.367 16.174 ( 1.670 5.013 11.707) 12.844======================= Grid point 843 (161/213) =======================q-point: (-0.19 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( -11.996 1.127 14.694) 19.002 2.099 ( -14.122 -3.740 20.319) 25.025 2.811 ( -9.378 -0.915 -12.019) 15.272 3.075 ( -8.808 -2.827 -8.361) 12.469 3.999 ( -28.679 -4.944 12.491) 31.670 4.968 ( -5.822 -4.039 -12.878) 14.698 6.370 ( -4.606 -0.671 -0.624) 4.696 6.814 ( -15.893 -4.468 -5.838) 17.511 8.160 ( 28.010 2.626 0.245) 28.134 11.725 ( 11.173 0.514 0.438) 11.193 12.499 ( 17.885 10.728 11.560) 23.845 13.183 ( 17.188 -7.670 -13.296) 23.045 13.898 ( -1.908 1.051 -1.099) 2.441 15.346 ( -19.682 -5.522 -1.088) 20.471 16.302 ( 5.369 8.403 7.030) 12.201======================= Grid point 848 (162/213) =======================q-point: ( 0.12 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.221 ( 10.094 11.788 10.737) 18.871 2.324 ( 6.193 13.743 15.378) 21.534 3.001 ( 8.174 9.041 -14.918) 19.263 3.230 ( 4.646 11.574 -7.074) 14.338 4.467 ( 15.291 23.223 11.059) 29.924 5.020 ( -1.656 7.314 -6.848) 10.155 6.459 ( 2.995 5.622 -0.596) 6.398 7.045 ( 5.778 13.377 -6.128) 15.808 7.773 ( -11.267 -11.905 -1.181) 16.433 11.511 ( -7.733 -11.185 0.275) 13.601 12.162 ( -12.143 -24.637 9.149) 28.950 12.868 ( -10.247 -8.639 -8.337) 15.784 13.951 ( 2.855 2.076 -1.512) 3.840 15.563 ( 1.069 12.773 2.221) 13.008 16.338 ( 8.013 -7.015 1.391) 10.741======================= Grid point 849 (163/213) =======================q-point: ( 0.19 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.501 ( 7.798 13.059 5.722) 16.251 2.563 ( 6.571 12.685 9.632) 17.230 3.245 ( 10.198 7.487 -10.592) 16.500 3.465 ( 8.440 13.823 -8.941) 18.500 4.946 ( 17.239 17.409 9.915) 26.430 5.056 ( -2.090 6.915 -1.072) 7.303 6.576 ( 3.442 6.868 -0.592) 7.705 7.257 ( 5.899 9.356 -5.132) 12.193 7.564 ( -5.675 -1.278 -0.876) 5.883 11.257 ( -8.775 -11.280 -0.266) 14.294 11.705 ( -15.557 -17.376 5.093) 23.872 12.624 ( -7.966 -11.780 -3.706) 14.695 14.039 ( 4.052 3.814 -1.233) 5.699 15.640 ( -2.911 7.424 4.037) 8.938 16.405 ( 7.235 -7.087 -2.875) 10.528======================= Grid point 850 (164/213) =======================q-point: ( 0.25 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.726 ( 3.954 12.659 1.145) 13.311 2.787 ( 5.119 12.583 4.663) 14.362 3.477 ( 9.339 5.929 -3.597) 11.633 3.749 ( 7.766 13.394 -10.719) 18.831 5.101 ( 0.506 6.115 2.576) 6.655 5.374 ( 16.807 10.769 8.927) 21.867 6.703 ( 2.955 7.733 -0.618) 8.301 7.421 ( 5.356 4.824 -1.645) 7.393 7.548 ( 0.246 6.123 -1.008) 6.210 11.011 ( -8.160 -9.233 -0.801) 12.348 11.333 ( -11.707 -10.681 2.419) 16.031 12.353 ( -9.418 -13.545 -1.755) 16.591 14.158 ( 4.229 5.813 -0.846) 7.239 15.635 ( -3.658 4.182 4.024) 6.860 16.428 ( 3.887 -7.734 -4.670) 9.835======================= Grid point 851 (165/213) =======================q-point: ( 0.31 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( -0.654 12.972 -0.320) 12.993 2.979 ( 3.955 10.811 -0.298) 11.515 3.664 ( 6.425 3.950 -0.399) 7.552 3.950 ( 0.961 12.417 -7.021) 14.297 5.202 ( 4.999 4.516 2.475) 7.177 5.715 ( 14.886 3.649 7.749) 17.175 6.819 ( 1.495 7.970 -0.685) 8.138 7.546 ( 5.331 2.286 0.757) 5.849 7.654 ( 3.067 8.498 -0.088) 9.035 10.803 ( -7.338 -6.647 -0.596) 9.919 11.119 ( -4.085 -5.041 0.437) 6.503 12.048 ( -10.625 -13.434 -1.233) 17.172 14.284 ( 2.682 7.369 -0.586) 7.864 15.615 ( -2.252 2.430 3.538) 4.847 16.387 ( 0.603 -8.042 -5.043) 9.511======================= Grid point 852 (166/213) =======================q-point: ( 0.38 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.960 ( -4.148 11.942 0.310) 12.646 3.123 ( 0.640 9.906 -4.765) 11.011 3.751 ( 0.615 1.685 1.225) 2.172 4.048 ( -2.532 11.481 -1.841) 11.900 5.330 ( 5.539 1.740 0.467) 5.824 5.943 ( 11.573 -3.014 6.164) 13.454 6.902 ( -0.768 7.385 -0.797) 7.468 7.631 ( 3.178 0.086 -1.128) 3.373 7.801 ( 4.061 7.867 3.192) 9.411 10.645 ( -4.597 -4.025 -0.034) 6.110 11.088 ( 2.778 -0.756 -0.601) 2.941 11.754 ( -8.947 -11.178 -1.361) 14.382 14.379 ( -0.476 7.683 -0.392) 7.708 15.615 ( -0.044 1.865 2.815) 3.377 16.302 ( -1.232 -7.649 -4.193) 8.809======================= Grid point 853 (167/213) =======================q-point: ( 0.44 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.977 ( -6.062 9.612 1.371) 11.447 3.177 ( -6.570 10.700 -7.110) 14.429 3.740 ( -1.774 -0.574 3.405) 3.882 4.089 ( -4.680 8.867 -0.277) 10.030 5.401 ( 2.028 -0.755 -0.983) 2.377 6.042 ( 6.507 -8.356 4.627) 11.558 6.933 ( -3.366 5.999 -0.915) 6.939 7.657 ( 0.576 -1.298 -2.124) 2.555 7.916 ( 1.722 4.482 2.795) 5.556 10.584 ( 0.513 -0.818 0.150) 0.977 11.137 ( 1.670 -1.436 -0.979) 2.410 11.591 ( 1.475 -4.403 -1.205) 4.797 14.410 ( -4.143 6.336 -0.100) 7.571 15.649 ( 1.552 2.333 1.288) 3.084 16.209 ( -1.134 -6.498 -1.722) 6.817======================= Grid point 855 (168/213) =======================q-point: (-0.50 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.945 ( -6.979 6.521 2.106) 9.780 3.108 ( -14.286 11.834 -5.340) 19.304 3.691 ( -1.704 -3.702 2.834) 4.964 4.054 ( -8.246 6.003 -0.985) 10.247 5.383 ( -2.452 -1.983 -1.695) 3.580 5.997 ( -0.210 -11.786 3.747) 12.369 6.905 ( -5.737 4.154 -0.989) 7.152 7.628 ( -1.885 -2.200 -2.595) 3.889 7.935 ( -2.220 0.163 -0.411) 2.264 10.646 ( 5.857 2.037 -0.105) 6.202 11.102 ( -0.804 -2.872 -1.155) 3.198 11.735 ( 14.199 2.289 -0.633) 14.396 14.364 ( -6.915 3.866 0.243) 7.926 15.707 ( 1.746 3.275 -1.481) 3.996 16.146 ( 0.272 -4.756 2.579) 5.417======================= Grid point 856 (169/213) =======================q-point: (-0.44 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.868 ( -7.337 1.931 1.722) 7.780 2.943 ( -18.669 12.629 -0.051) 22.540 3.596 ( -4.351 -5.917 -0.580) 7.367 3.927 ( -11.973 3.337 -2.540) 12.686 5.288 ( -6.425 -1.733 -1.424) 6.805 5.809 ( -7.294 -13.196 3.447) 15.466 6.824 ( -7.386 2.352 -0.985) 7.814 7.555 ( -3.692 -2.745 -3.225) 5.618 7.851 ( -5.381 -3.349 -4.148) 7.574 10.807 ( 9.631 2.987 -0.810) 10.116 11.128 ( 6.230 0.904 0.100) 6.296 12.043 ( 18.023 2.809 -1.080) 18.273 14.260 ( -8.070 1.428 0.403) 8.205 15.766 ( 1.068 3.620 -4.444) 5.831 16.125 ( 1.306 -2.375 7.301) 7.788======================= Grid point 857 (170/213) =======================q-point: (-0.38 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.703 ( -14.619 2.281 0.956) 14.827 2.764 ( -13.559 6.913 7.126) 16.805 3.426 ( -8.841 -5.651 -5.832) 12.005 3.721 ( -14.539 0.997 -4.397) 15.222 5.134 ( -10.836 -0.379 1.001) 10.889 5.511 ( -11.957 -12.832 2.368) 17.699 6.708 ( -8.021 0.953 -0.897) 8.127 7.452 ( -5.377 -3.105 -4.539) 7.691 7.713 ( -5.084 -4.741 -5.877) 9.103 11.019 ( 12.523 2.116 -1.191) 12.756 11.340 ( 15.045 4.660 2.182) 15.901 12.371 ( 18.086 0.842 -2.586) 18.289 14.132 ( -7.548 0.055 0.205) 7.551 15.800 ( -0.568 1.301 -4.717) 4.926 16.144 ( 1.255 2.018 8.968) 9.277======================= Grid point 858 (171/213) =======================q-point: (-0.31 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( -16.522 3.355 6.221) 17.970 2.575 ( -13.276 0.187 10.528) 16.945 3.205 ( -12.080 -2.022 -11.975) 17.129 3.472 ( -14.514 -0.766 -5.979) 15.715 4.879 ( -20.439 0.300 7.215) 21.677 5.208 ( -9.015 -9.708 -2.474) 13.478 6.579 ( -7.611 0.087 -0.754) 7.649 7.288 ( -10.563 -3.411 -6.328) 12.777 7.645 ( 3.506 -3.789 -4.242) 6.682 11.268 ( 14.652 0.963 -0.713) 14.701 11.705 ( 22.120 4.801 4.982) 23.177 12.657 ( 16.060 -2.027 -5.030) 16.951 14.019 ( -5.682 0.225 -0.461) 5.706 15.748 ( -4.863 -3.455 -0.887) 6.031 16.215 ( 1.418 7.942 5.533) 9.783======================= Grid point 866 (172/213) =======================q-point: ( 0.19 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.718 ( 6.560 9.516 1.803) 11.698 2.859 ( 8.885 16.560 8.591) 20.663 3.386 ( 6.689 6.667 -7.907) 12.317 3.741 ( 9.010 13.950 -7.210) 18.104 5.154 ( 4.532 6.594 1.676) 8.175 5.306 ( 2.525 15.401 5.477) 16.540 6.719 ( 4.268 7.595 -0.573) 8.731 7.408 ( 2.294 5.953 -3.241) 7.156 7.621 ( -1.297 6.601 -3.603) 7.631 11.036 ( -6.507 -10.845 -1.329) 12.717 11.389 ( -8.778 -14.748 2.795) 17.388 12.369 ( -8.846 -14.193 -1.915) 16.833 14.141 ( 4.694 6.532 -0.469) 8.057 15.749 ( -4.157 3.758 1.571) 5.820 16.262 ( 5.984 -7.150 0.289) 9.328======================= Grid point 867 (173/213) =======================q-point: ( 0.25 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.904 ( 5.757 7.695 -1.080) 9.670 3.125 ( 1.061 19.039 6.662) 20.199 3.570 ( 9.134 3.781 -2.910) 10.305 4.017 ( 6.747 13.446 -8.504) 17.281 5.219 ( -0.758 5.689 2.265) 6.170 5.539 ( 9.765 5.852 5.850) 12.799 6.864 ( 3.285 8.504 -0.400) 9.125 7.497 ( 3.156 3.139 0.055) 4.452 7.705 ( 1.416 9.207 -2.221) 9.576 10.841 ( -5.799 -8.121 -1.632) 10.112 11.145 ( -5.982 -8.035 1.302) 10.101 12.076 ( -9.101 -14.655 -0.542) 17.259 14.296 ( 4.822 8.128 -0.409) 9.459 15.702 ( -4.612 2.690 2.236) 5.788 16.267 ( 3.521 -8.435 -2.297) 9.425======================= Grid point 868 (174/213) =======================q-point: ( 0.31 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.054 ( 2.923 6.935 -2.686) 7.991 3.272 ( -2.403 15.149 4.632) 16.023 3.746 ( 5.058 5.763 1.321) 7.781 4.206 ( -0.083 13.343 -7.488) 15.301 5.274 ( 2.521 2.766 1.992) 4.239 5.720 ( 9.959 -3.151 4.415) 11.341 6.986 ( 0.828 8.931 -0.348) 8.976 7.570 ( 3.370 0.007 0.635) 3.430 7.833 ( 2.540 9.377 0.919) 9.759 10.677 ( -4.992 -6.191 -1.170) 8.039 11.050 ( 0.209 -1.807 0.176) 1.828 11.784 ( -8.756 -13.450 -0.275) 16.051 14.446 ( 2.523 8.838 -0.442) 9.202 15.661 ( -2.872 2.433 2.209) 4.364 16.220 ( 1.151 -8.816 -3.084) 9.411======================= Grid point 869 (175/213) =======================q-point: ( 0.38 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.121 ( -2.600 6.038 -1.570) 6.759 3.369 ( -1.041 11.100 1.122) 11.205 3.822 ( -4.036 7.043 4.214) 9.146 4.281 ( -5.448 12.208 -5.002) 14.274 5.345 ( 3.680 -0.005 -0.105) 3.682 5.815 ( 8.820 -9.949 3.274) 13.693 7.057 ( -2.626 8.263 -0.362) 8.677 7.608 ( 2.628 -2.433 -0.008) 3.581 7.951 ( 1.109 7.035 2.802) 7.653 10.572 ( -1.411 -3.367 -0.834) 3.745 11.088 ( 3.273 0.828 -0.146) 3.380 11.548 ( -4.107 -9.672 -0.405) 10.515 14.536 ( -1.942 7.875 -0.366) 8.119 15.661 ( -0.149 3.000 1.424) 3.324 16.145 ( 0.202 -8.222 -2.226) 8.521======================= Grid point 870 (176/213) =======================q-point: (-0.56 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.094 ( -5.916 4.025 -0.344) 7.164 3.442 ( -4.067 11.444 -1.978) 12.306 3.749 ( -9.998 3.288 6.618) 12.432 4.268 ( -8.419 9.218 -3.879) 13.073 5.381 ( 0.870 -0.963 -1.583) 2.047 5.825 ( 5.707 -13.168 2.830) 14.628 7.056 ( -5.861 6.243 -0.352) 8.570 7.611 ( 0.914 -3.179 -0.634) 3.368 7.990 ( -2.482 2.834 1.823) 4.185 10.573 ( 3.698 -0.422 -0.873) 3.823 11.098 ( -1.772 -2.287 -0.501) 2.936 11.536 ( 9.626 -1.458 0.045) 9.736 14.528 ( -6.533 5.356 -0.025) 8.448 15.709 ( 1.629 3.664 -0.817) 4.093 16.081 ( 1.044 -6.307 0.593) 6.421======================= Grid point 871 (177/213) =======================q-point: (-0.50 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.009 ( -7.525 2.067 -0.294) 7.810 3.413 ( -17.133 15.908 0.727) 23.391 3.594 ( -4.173 -6.179 3.702) 8.325 4.173 ( -11.587 5.848 -4.349) 13.689 5.354 ( -2.886 -0.996 -1.608) 3.450 5.747 ( -0.261 -12.473 3.322) 12.910 6.985 ( -7.986 3.602 -0.383) 8.769 7.576 ( -1.617 -2.724 -1.045) 3.336 7.923 ( -5.961 -1.346 -1.100) 6.209 10.679 ( 7.898 1.181 -1.262) 8.085 11.059 ( 1.333 -1.464 -0.168) 1.987 11.772 ( 16.299 1.386 0.175) 16.359 14.430 ( -9.227 2.640 0.233) 9.601 15.769 ( 1.588 1.977 -3.391) 4.234 16.071 ( 2.744 -1.835 4.084) 5.251======================= Grid point 872 (178/213) =======================q-point: (-0.44 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.883 ( -9.119 0.887 -0.097) 9.163 3.177 ( -21.550 6.600 7.339) 23.703 3.497 ( -4.437 -1.814 -4.170) 6.354 3.992 ( -14.715 2.830 -5.607) 16.000 5.271 ( -5.703 -0.732 -0.375) 5.762 5.571 ( -7.952 -9.134 4.513) 12.924 6.864 ( -8.881 1.318 -0.482) 8.991 7.506 ( -3.928 -1.868 -1.582) 4.629 7.778 ( -7.486 -3.929 -3.765) 9.255 10.843 ( 9.997 0.797 -1.730) 10.177 11.150 ( 9.937 0.787 1.161) 10.036 12.075 ( 17.718 0.678 -0.534) 17.739 14.284 ( -9.588 0.979 0.089) 9.638 15.789 ( 0.837 -2.293 -2.066) 3.198 16.138 ( 3.418 4.506 3.649) 6.731======================= Grid point 883 (179/213) =======================q-point: ( 0.25 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.044 ( 5.439 6.602 -1.345) 8.659 3.452 ( -3.338 10.973 5.282) 12.627 3.658 ( 14.228 7.908 2.327) 16.443 4.257 ( 8.289 10.876 -8.235) 15.963 5.316 ( -1.872 4.067 0.883) 4.564 5.601 ( 0.365 0.646 3.186) 3.271 7.026 ( 4.647 7.823 -0.065) 9.100 7.541 ( 0.360 1.297 0.065) 1.348 7.884 ( 2.110 8.608 -0.393) 8.872 10.690 ( -4.317 -7.352 -1.737) 8.701 11.043 ( -1.503 -2.089 0.403) 2.605 11.788 ( -8.009 -14.538 0.368) 16.602 14.462 ( 5.455 8.408 -0.138) 10.023 15.744 ( -3.608 1.698 -0.222) 3.994 16.109 ( 1.584 -7.433 0.159) 7.601======================= Grid point 884 (180/213) =======================q-point: ( 0.31 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.182 ( 2.750 6.333 -2.019) 7.194 3.450 ( -2.386 2.599 2.418) 4.277 3.938 ( 4.321 12.942 9.532) 16.644 4.462 ( 1.289 12.755 -10.214) 16.391 5.313 ( -0.616 1.376 1.338) 2.016 5.596 ( 4.144 -9.229 1.210) 10.188 7.160 ( 1.189 8.669 0.110) 8.751 7.544 ( 1.037 -2.652 0.506) 2.892 8.000 ( 1.732 7.143 2.600) 7.796 10.566 ( -2.692 -4.952 -1.593) 5.857 11.056 ( 2.286 2.475 0.216) 3.376 11.531 ( -6.377 -12.196 0.460) 13.771 14.611 ( 2.265 7.541 -0.469) 7.888 15.716 ( -2.306 3.310 0.655) 4.087 16.050 ( 0.857 -8.375 -1.243) 8.510======================= Grid point 885 (181/213) =======================q-point: ( 0.38 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.228 ( -4.296 5.048 -1.133) 6.725 3.463 ( 2.920 -0.379 0.331) 2.963 4.026 ( -7.951 10.956 12.328) 18.310 4.522 ( -8.635 12.305 -9.514) 17.790 5.342 ( 2.829 0.159 -0.853) 2.959 5.573 ( 7.039 -13.802 1.050) 15.529 7.215 ( -4.539 7.601 0.182) 8.855 7.539 ( 2.815 -4.477 0.372) 5.302 8.060 ( -1.432 3.895 3.476) 5.413 10.517 ( 1.241 -2.088 -1.578) 2.897 11.117 ( -0.612 1.865 0.246) 1.978 11.387 ( 3.190 -6.459 0.450) 7.218 14.667 ( -3.206 5.074 -0.501) 6.023 15.735 ( -0.234 4.362 -0.060) 4.369 15.989 ( 1.709 -7.332 -0.479) 7.544======================= Grid point 887 (182/213) =======================q-point: (-0.56 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.160 ( -7.387 2.599 -0.867) 7.878 3.511 ( 2.878 -1.978 -0.439) 3.520 3.890 ( -17.742 7.378 11.376) 22.330 4.434 ( -12.103 6.795 -8.719) 16.391 5.367 ( -0.180 -1.328 -1.046) 1.700 5.583 ( 6.877 -8.666 1.812) 11.211 7.158 ( -8.119 3.447 0.189) 8.823 7.548 ( 1.900 -2.512 0.063) 3.151 8.020 ( -5.648 0.199 2.101) 6.030 10.567 ( 5.670 -0.206 -1.624) 5.901 11.061 ( -3.237 -1.232 0.021) 3.463 11.524 ( 13.634 0.050 0.713) 13.653 14.605 ( -7.943 2.298 -0.217) 8.271 15.763 ( 0.007 0.356 -1.742) 1.778 15.996 ( 4.486 -0.946 1.399) 4.794======================= Grid point 901 (183/213) =======================q-point: ( 0.31 0.31 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.299 ( 3.893 5.362 -0.895) 6.686 3.428 ( -3.138 -3.513 0.038) 4.710 4.146 ( 3.934 6.282 15.277) 16.981 4.690 ( 6.090 8.989 -11.707) 15.967 5.337 ( -3.501 1.351 0.203) 3.758 5.396 ( -1.975 -9.220 -0.581) 9.447 7.315 ( 3.971 6.680 0.460) 7.785 7.469 ( -2.788 -4.587 0.505) 5.391 8.097 ( 1.247 2.520 3.987) 4.879 10.496 ( -1.136 -1.949 -1.882) 2.938 11.140 ( 3.091 5.701 0.453) 6.501 11.319 ( -4.974 -9.001 0.717) 10.309 14.720 ( 1.881 3.109 -0.696) 3.699 15.789 ( 0.773 3.819 -0.337) 3.911 15.905 ( -1.854 -5.775 -0.128) 6.067======================= Grid point 1084 (184/213) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 111Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 -0.000 0.000) 0.000 2.700 ( 0.000 -0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 -0.000 0.000) 0.000 6.248 ( 0.000 -0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 10.158 ( 0.000 0.000 0.000) 0.000 12.030 ( 0.000 -0.000 0.000) 0.000 12.030 ( 0.000 0.000 0.000) 0.000 13.857 ( 0.000 0.000 0.000) 0.000 13.857 ( 0.000 0.000 0.000) 0.000 14.481 ( 0.000 -0.000 0.000) 0.000 16.736 ( 0.000 -0.000 0.000) 0.000======================= Grid point 1086 (185/213) =======================q-point: ( 0.06 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( 3.427 1.979 -1.540) 4.246 1.973 ( 7.725 4.460 1.568) 9.057 2.634 ( -3.938 -2.274 -1.323) 4.736 2.735 ( 3.125 1.804 1.356) 3.855 3.381 ( 16.187 9.346 -0.254) 18.693 4.546 ( 4.224 2.439 0.264) 4.885 6.263 ( 1.375 0.794 0.117) 1.592 6.337 ( 7.628 4.404 -0.012) 8.808 9.527 ( -42.405 -24.483 0.264) 48.966 11.984 ( -4.036 -2.330 1.132) 4.795 12.453 ( 23.980 13.845 -1.780) 27.746 13.687 ( -14.866 -8.583 2.248) 17.312 13.863 ( 0.529 0.305 -1.085) 1.245 14.635 ( 13.583 7.842 0.125) 15.685 16.646 ( -6.917 -3.993 -0.769) 8.024======================= Grid point 1088 (186/213) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 5.740 3.314 -2.712) 7.161 2.222 ( 14.039 8.106 3.592) 16.604 2.570 ( -1.369 -0.791 -3.931) 4.237 2.841 ( 6.311 3.644 2.636) 7.749 3.832 ( 22.725 13.120 -0.984) 26.259 4.678 ( 7.211 4.163 1.866) 8.533 6.310 ( 2.741 1.582 0.216) 3.172 6.569 ( 12.274 7.086 0.495) 14.181 8.606 ( -36.205 -20.903 1.615) 41.837 11.850 ( -7.791 -4.498 1.775) 9.169 12.785 ( 2.965 1.712 -8.781) 9.425 13.236 ( -22.097 -12.757 10.880) 27.738 13.883 ( 1.390 0.803 -1.756) 2.379 15.033 ( 19.102 11.029 1.600) 22.115 16.489 ( -5.745 -3.317 -4.596) 8.070======================= Grid point 1090 (187/213) =======================q-point: ( 0.19 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( 6.549 3.781 -3.413) 8.296 2.547 ( 6.312 3.644 17.566) 19.017 2.618 ( 13.563 7.831 -19.587) 25.078 3.017 ( 9.152 5.284 3.676) 11.189 4.365 ( 23.497 13.566 -2.729) 27.269 4.862 ( 9.133 5.273 5.708) 11.991 6.386 ( 3.963 2.288 0.295) 4.585 6.863 ( 13.340 7.702 1.549) 15.481 7.953 ( -21.416 -12.365 3.788) 25.018 11.638 ( -10.781 -6.225 1.746) 12.571 12.451 ( -26.773 -15.458 -6.248) 31.540 12.945 ( -6.599 -3.810 9.485) 12.167 13.928 ( 2.549 1.472 -1.859) 3.481 15.393 ( 11.715 6.764 4.143) 14.148 16.412 ( -1.193 -0.689 -9.678) 9.775======================= Grid point 1092 (188/213) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 6.105 3.525 -3.593) 7.912 2.625 ( 3.848 2.221 0.804) 4.515 3.030 ( 18.804 10.856 -4.973) 22.275 3.246 ( 10.865 6.273 4.153) 13.215 4.817 ( 14.596 8.427 -4.419) 17.424 5.130 ( 16.186 9.345 9.988) 21.191 6.485 ( 4.761 2.749 0.364) 5.510 7.150 ( 11.666 6.736 2.541) 13.709 7.631 ( -7.526 -4.345 5.985) 10.551 11.374 ( -12.394 -7.156 1.244) 14.365 11.854 ( -24.203 -13.974 -0.935) 27.963 12.758 ( -10.441 -6.028 3.768) 12.631 13.998 ( 3.603 2.080 -1.548) 4.439 15.563 ( 4.109 2.372 5.183) 7.027 16.411 ( 0.384 0.222 -12.094) 12.102======================= Grid point 1094 (189/213) =======================q-point: ( 0.31 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.441 ( 4.890 2.823 -3.200) 6.490 2.726 ( 4.891 2.824 -1.869) 5.949 3.413 ( 14.351 8.286 -3.814) 17.005 3.494 ( 10.780 6.224 3.823) 13.021 5.050 ( 8.142 4.701 0.638) 9.424 5.554 ( 19.222 11.098 6.544) 23.141 6.595 ( 4.818 2.782 0.415) 5.579 7.369 ( 7.356 4.247 1.931) 8.710 7.592 ( 3.393 1.959 8.238) 9.122 11.094 ( -12.121 -6.998 0.638) 14.011 11.401 ( -15.563 -8.985 0.038) 17.970 12.480 ( -13.973 -8.067 1.403) 16.195 14.085 ( 4.046 2.336 -1.090) 4.797 15.615 ( 1.129 0.652 4.621) 4.801 16.406 ( -1.133 -0.654 -11.479) 11.553======================= Grid point 1096 (190/213) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.534 ( 3.329 1.922 -2.341) 4.501 2.835 ( 4.513 2.605 -3.043) 6.034 3.657 ( 7.343 4.239 -2.057) 8.725 3.717 ( 8.680 5.011 2.806) 10.408 5.225 ( 7.384 4.263 2.022) 8.762 5.943 ( 14.720 8.498 4.242) 17.518 6.695 ( 3.947 2.279 0.398) 4.574 7.495 ( 4.454 2.571 0.741) 5.196 7.727 ( 7.082 4.089 8.436) 11.749 10.843 ( -9.742 -5.624 0.206) 11.251 11.160 ( -5.836 -3.369 0.155) 6.741 12.144 ( -15.322 -8.846 0.063) 17.692 14.173 ( 3.539 2.043 -0.663) 4.140 15.633 ( 0.648 0.374 3.591) 3.668 16.361 ( -2.600 -1.501 -9.106) 9.588======================= Grid point 1098 (191/213) =======================q-point: ( 0.44 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( 1.669 0.963 -1.221) 2.281 2.919 ( 2.721 1.571 -2.419) 3.965 3.761 ( 2.375 1.371 -0.357) 2.766 3.872 ( 4.849 2.799 1.444) 5.782 5.367 ( 4.735 2.734 1.115) 5.580 6.200 ( 7.868 4.543 2.283) 9.368 6.766 ( 2.225 1.285 0.255) 2.582 7.576 ( 2.572 1.485 0.113) 2.972 7.867 ( 4.745 2.740 5.294) 7.619 10.669 ( -5.455 -3.150 0.023) 6.299 11.123 ( 1.731 1.000 0.350) 2.030 11.818 ( -12.692 -7.328 -0.537) 14.665 14.238 ( 2.071 1.196 -0.309) 2.411 15.647 ( 0.605 0.349 2.126) 2.238 16.302 ( -2.257 -1.303 -5.218) 5.832======================= Grid point 1100 (192/213) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 10.606 ( 0.000 0.000 0.000) 0.000 11.167 ( 0.000 0.000 0.000) 0.000 11.649 ( 0.000 0.000 0.000) 0.000 14.262 ( 0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000======================= Grid point 1120 (193/213) =======================q-point: ( 0.06 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( 3.514 6.086 0.000) 7.028 2.134 ( 6.858 11.879 0.000) 13.717 2.580 ( -1.317 -2.281 0.000) 2.633 2.809 ( 3.311 5.735 0.000) 6.622 3.697 ( 12.375 21.434 0.000) 24.750 4.636 ( 3.749 6.494 0.000) 7.498 6.296 ( 1.473 2.551 0.000) 2.945 6.495 ( 6.496 11.252 0.000) 12.992 8.834 ( -22.809 -39.506 0.000) 45.617 11.894 ( -3.947 -6.837 0.000) 7.895 12.754 ( 6.727 11.651 0.000) 13.453 13.360 ( -13.899 -24.074 0.000) 27.798 13.871 ( 0.421 0.729 0.000) 0.842 14.925 ( 11.609 20.108 0.000) 23.219 16.525 ( -4.047 -7.009 0.000) 8.094======================= Grid point 1122 (194/213) =======================q-point: ( 0.12 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 4.440 8.507 -2.043) 9.812 2.428 ( 13.004 12.761 5.671) 19.082 2.565 ( 0.954 0.737 -6.052) 6.171 2.957 ( 6.091 8.048 1.778) 10.249 4.172 ( 18.241 20.742 -1.036) 27.641 4.787 ( 6.240 6.669 2.187) 9.391 6.362 ( 2.631 3.736 0.140) 4.572 6.752 ( 10.143 11.139 0.619) 15.077 8.144 ( -20.240 -23.517 1.607) 31.069 11.720 ( -7.482 -8.718 0.969) 11.529 12.727 ( -22.209 -13.253 -10.849) 28.046 12.923 ( -0.489 -13.223 12.487) 18.194 13.898 ( 1.912 1.019 -1.048) 2.406 15.315 ( 10.934 15.915 1.917) 19.404 16.415 ( -2.065 -3.885 -4.439) 6.250======================= Grid point 1124 (195/213) =======================q-point: ( 0.19 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.310 ( 3.647 10.308 -2.984) 11.334 2.601 ( 2.340 3.446 3.789) 5.631 2.829 ( 17.516 12.087 -5.869) 22.076 3.166 ( 8.146 9.877 2.927) 13.133 4.671 ( 16.739 17.026 -3.883) 24.190 4.981 ( 10.154 6.592 7.324) 14.149 6.455 ( 3.403 4.834 0.233) 5.916 7.034 ( 10.819 9.317 1.690) 14.378 7.719 ( -10.480 -10.384 3.835) 15.244 11.479 ( -9.912 -10.001 1.053) 14.120 12.122 ( -24.850 -18.151 -1.743) 30.822 12.804 ( -4.315 -9.640 4.171) 11.355 13.958 ( 3.369 2.028 -1.342) 4.155 15.559 ( 3.452 9.094 4.383) 10.669 16.381 ( 1.277 -2.450 -9.205) 9.611======================= Grid point 1126 (196/213) =======================q-point: ( 0.25 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( 1.842 11.691 -2.746) 12.149 2.691 ( 3.441 4.689 -0.356) 5.827 3.233 ( 16.537 9.515 -3.776) 19.449 3.415 ( 8.877 11.006 2.913) 14.437 4.983 ( 6.836 8.337 -1.629) 10.904 5.324 ( 19.372 9.995 7.468) 23.042 6.567 ( 3.569 5.555 0.302) 6.610 7.282 ( 8.861 6.566 2.075) 11.222 7.574 ( -0.585 -1.071 6.175) 6.294 11.204 ( -10.566 -9.923 0.685) 14.511 11.594 ( -19.045 -12.621 -0.048) 22.848 12.583 ( -9.385 -11.249 1.874) 14.770 14.048 ( 3.955 3.444 -1.179) 5.375 15.638 ( -0.877 4.550 4.970) 6.795 16.384 ( 1.416 -2.935 -10.826) 11.306======================= Grid point 1128 (197/213) =======================q-point: ( 0.31 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.595 ( -0.784 12.933 -1.715) 13.070 2.800 ( 3.695 4.797 -2.566) 6.576 3.542 ( 11.116 5.158 -2.280) 12.465 3.665 ( 7.335 10.731 1.785) 13.121 5.153 ( 6.264 5.429 1.906) 8.505 5.736 ( 18.065 7.125 4.660) 19.970 6.678 ( 2.905 5.703 0.332) 6.409 7.449 ( 5.057 4.107 0.710) 6.553 7.650 ( 6.339 3.847 8.262) 11.102 10.944 ( -9.548 -7.879 0.302) 12.383 11.247 ( -10.365 -6.964 0.167) 12.489 12.281 ( -12.568 -11.839 0.480) 17.273 14.151 ( 3.311 4.667 -0.858) 5.786 15.648 ( -1.268 2.201 4.284) 4.980 16.360 ( -0.321 -3.787 -9.783) 10.495======================= Grid point 1130 (198/213) =======================q-point: ( 0.38 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( -3.717 13.600 -0.695) 14.116 2.900 ( 2.719 4.051 -3.162) 5.814 3.712 ( 5.257 1.882 -1.168) 5.704 3.855 ( 3.875 8.557 1.456) 9.506 5.303 ( 5.955 3.417 1.800) 7.098 6.050 ( 13.264 2.148 2.966) 13.760 6.769 ( 1.359 5.214 0.276) 5.395 7.552 ( 3.049 3.158 -0.053) 4.390 7.804 ( 6.292 3.891 6.982) 10.173 10.737 ( -7.098 -5.102 0.081) 8.741 11.110 ( -1.046 -1.889 0.283) 2.178 11.948 ( -12.873 -10.872 -0.376) 16.854 14.242 ( 1.497 5.161 -0.521) 5.399 15.649 ( -0.340 1.016 3.084) 3.265 16.307 ( -1.178 -3.885 -6.994) 8.087======================= Grid point 1132 (199/213) =======================q-point: ( 0.44 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.734 ( -6.310 13.329 -0.151) 14.748 2.961 ( 0.357 2.754 -1.455) 3.135 3.773 ( 1.406 0.116 -0.248) 1.432 3.958 ( -0.172 5.745 0.598) 5.779 5.401 ( 2.782 0.603 0.602) 2.910 6.217 ( 6.732 -2.963 1.068) 7.432 6.820 ( -0.833 4.174 0.110) 4.257 7.609 ( 0.741 1.756 -0.113) 1.909 7.911 ( 2.381 1.860 2.699) 4.052 10.618 ( -2.502 -2.057 0.007) 3.239 11.138 ( 3.174 0.326 0.325) 3.207 11.678 ( -6.802 -6.514 -0.450) 9.429 14.295 ( -1.025 4.645 -0.177) 4.760 15.655 ( 0.091 0.321 1.193) 1.239 16.260 ( 0.030 -2.904 -2.611) 3.905======================= Grid point 1154 (200/213) =======================q-point: ( 0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 522Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.343 ( 6.244 10.816 0.000) 12.489 2.606 ( 2.234 3.869 0.000) 4.468 2.719 ( 9.616 16.655 -0.000) 19.231 3.149 ( 6.596 11.425 0.000) 13.192 4.608 ( 13.322 23.074 -0.000) 26.643 4.926 ( 4.224 7.316 0.000) 8.448 6.453 ( 3.160 5.474 0.000) 6.320 6.984 ( 7.063 12.234 0.000) 14.126 7.760 ( -8.561 -14.828 0.000) 17.122 11.514 ( -7.038 -12.191 0.000) 14.077 12.267 ( -15.803 -27.372 0.000) 31.606 12.771 ( -4.112 -7.123 0.000) 8.225 13.936 ( 1.783 3.088 0.000) 3.565 15.584 ( 6.036 10.455 0.000) 12.072 16.351 ( -1.363 -2.361 0.000) 2.727======================= Grid point 1156 (201/213) =======================q-point: ( 0.19 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( 4.182 12.432 -1.512) 13.203 2.710 ( 2.473 8.761 1.387) 9.208 3.066 ( 13.998 11.849 -2.494) 18.509 3.395 ( 7.973 13.228 1.101) 15.485 4.995 ( 4.795 14.613 -4.360) 15.986 5.119 ( 14.809 8.449 6.653) 18.302 6.571 ( 3.518 6.786 0.090) 7.645 7.215 ( 7.539 8.966 0.907) 11.750 7.579 ( -2.355 -3.524 2.302) 4.824 11.258 ( -8.607 -12.219 0.285) 14.949 11.758 ( -16.762 -18.546 -0.059) 24.998 12.594 ( -6.136 -11.662 0.956) 13.213 14.020 ( 3.660 4.566 -0.573) 5.879 15.709 ( -0.171 5.579 2.914) 6.297 16.323 ( 0.981 -3.238 -5.217) 6.218======================= Grid point 1158 (202/213) =======================q-point: ( 0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.725 ( 3.214 11.220 -0.983) 11.712 2.846 ( -0.232 14.253 -0.095) 14.255 3.391 ( 13.048 6.617 -3.001) 14.934 3.662 ( 7.459 13.760 0.825) 15.674 5.135 ( 2.727 7.066 0.899) 7.628 5.499 ( 17.322 7.530 3.613) 19.231 6.698 ( 2.952 7.706 0.127) 8.253 7.402 ( 5.902 5.623 0.474) 8.165 7.598 ( 3.911 3.528 5.169) 7.379 11.005 ( -7.986 -10.001 0.200) 12.800 11.360 ( -12.629 -11.330 0.198) 16.968 12.340 ( -9.243 -13.357 0.486) 16.251 14.142 ( 4.161 6.261 -0.732) 7.553 15.715 ( -3.066 2.978 4.151) 5.958 16.306 ( 1.195 -4.753 -7.564) 9.013======================= Grid point 1160 (203/213) =======================q-point: ( 0.31 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( 2.586 9.208 0.025) 9.564 2.966 ( -4.263 17.802 -1.299) 18.351 3.622 ( 8.382 3.301 -2.919) 9.470 3.892 ( 4.255 12.198 0.479) 12.928 5.250 ( 4.212 4.341 2.336) 6.484 5.818 ( 15.039 1.044 2.547) 15.289 6.813 ( 1.425 7.976 0.114) 8.103 7.527 ( 3.904 3.534 -0.503) 5.290 7.741 ( 6.346 5.733 6.465) 10.721 10.797 ( -6.764 -7.088 0.098) 9.798 11.127 ( -4.929 -5.205 0.253) 7.173 12.034 ( -11.093 -13.147 -0.167) 17.203 14.271 ( 2.783 7.564 -0.665) 8.087 15.686 ( -2.562 1.594 3.820) 4.868 16.267 ( 0.255 -5.578 -7.003) 8.957======================= Grid point 1162 (204/213) =======================q-point: ( 0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.984 ( 0.897 6.575 0.569) 6.661 3.044 ( -8.133 19.481 -1.404) 21.157 3.742 ( 3.167 1.720 -1.960) 4.102 4.037 ( 0.145 9.814 0.487) 9.827 5.350 ( 3.835 1.292 1.513) 4.320 6.020 ( 11.102 -5.233 1.466) 12.361 6.895 ( -0.910 7.465 0.067) 7.521 7.604 ( 2.141 1.685 -0.426) 2.758 7.888 ( 3.941 4.876 4.208) 7.551 10.644 ( -4.144 -4.421 0.042) 6.059 11.086 ( 2.412 -0.539 0.399) 2.503 11.734 ( -9.374 -10.712 -0.554) 14.245 14.371 ( -0.195 7.793 -0.419) 7.807 15.667 ( -1.134 0.862 2.433) 2.820 16.216 ( 0.436 -5.282 -4.308) 6.830======================= Grid point 1164 (205/213) =======================q-point: ( 0.44 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.025 ( -2.130 3.690 -0.000) 4.261 3.071 ( -11.257 19.498 0.000) 22.514 3.775 ( -0.341 0.590 0.000) 0.681 4.087 ( -4.162 7.210 -0.000) 8.325 5.391 ( 0.850 -1.473 0.000) 1.701 6.089 ( 5.696 -9.865 -0.000) 11.391 6.924 ( -3.594 6.225 0.000) 7.187 7.631 ( -0.033 0.057 0.000) 0.066 7.948 ( -1.235 2.139 0.000) 2.470 10.586 ( 0.770 -1.334 0.000) 1.540 11.128 ( 0.834 -1.445 0.000) 1.669 11.579 ( 1.989 -3.446 0.000) 3.979 14.409 ( -3.772 6.534 0.000) 7.545 15.662 ( -0.385 0.667 0.000) 0.770 16.192 ( 2.346 -4.063 0.000) 4.691======================= Grid point 1190 (206/213) =======================q-point: ( 0.19 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( 4.611 7.986 0.000) 9.221 2.964 ( 8.917 15.444 0.000) 17.834 3.284 ( 6.060 10.496 0.000) 12.120 3.668 ( 8.260 14.306 0.000) 16.519 5.170 ( 3.027 5.242 0.000) 6.053 5.361 ( 8.134 14.088 0.000) 16.268 6.713 ( 4.402 7.624 0.000) 8.803 7.376 ( 4.238 7.341 0.000) 8.476 7.583 ( 2.166 3.752 0.000) 4.332 11.023 ( -6.539 -11.327 0.000) 13.079 11.418 ( -9.148 -15.845 0.000) 18.296 12.349 ( -7.774 -13.465 0.000) 15.549 14.136 ( 4.122 7.139 0.000) 8.244 15.767 ( 0.325 0.563 0.000) 0.651 16.263 ( -1.661 -2.876 0.000) 3.321======================= Grid point 1192 (207/213) =======================q-point: ( 0.25 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.887 ( 4.062 7.397 -0.601) 8.460 3.231 ( -0.717 22.204 2.975) 22.413 3.491 ( 10.781 3.752 -4.074) 12.121 3.931 ( 6.285 13.274 -0.076) 14.687 5.254 ( 1.338 4.914 1.366) 5.273 5.607 ( 10.417 3.405 0.908) 10.997 6.860 ( 3.246 8.643 -0.014) 9.233 7.496 ( 3.519 3.732 -0.194) 5.133 7.709 ( 5.280 7.625 2.583) 9.627 10.825 ( -5.568 -8.393 0.037) 10.072 11.160 ( -6.381 -8.620 0.126) 10.725 12.070 ( -9.114 -14.159 -0.038) 16.839 14.289 ( 4.458 8.528 -0.336) 9.629 15.748 ( -2.491 0.493 2.293) 3.421 16.208 ( -0.396 -5.158 -3.495) 6.243======================= Grid point 1194 (208/213) =======================q-point: ( 0.31 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.016 ( 2.571 7.036 -1.123) 7.575 3.363 ( -5.677 17.117 4.406) 18.565 3.707 ( 6.548 8.469 -5.427) 12.002 4.126 ( 2.264 11.295 -0.269) 11.523 5.316 ( 1.801 2.289 2.183) 3.640 5.773 ( 10.397 -5.670 0.749) 11.867 6.982 ( 0.709 9.114 -0.069) 9.142 7.570 ( 2.835 0.571 -0.217) 2.900 7.878 ( 4.721 8.029 3.027) 9.793 10.665 ( -4.525 -6.441 0.050) 7.872 11.054 ( -0.074 -1.894 0.268) 1.914 11.777 ( -9.246 -12.963 -0.358) 15.927 14.437 ( 2.427 9.017 -0.445) 9.348 15.710 ( -2.527 1.000 2.772) 3.881 16.149 ( 0.301 -6.347 -3.979) 7.497======================= Grid point 1196 (209/213) =======================q-point: ( 0.38 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.099 ( -0.768 6.072 -0.722) 6.163 3.399 ( -6.022 11.677 2.048) 13.297 3.846 ( -2.700 12.178 -2.331) 12.689 4.225 ( -2.256 9.000 -0.110) 9.279 5.354 ( 1.680 -0.712 1.033) 2.097 5.851 ( 9.033 -11.806 0.292) 14.869 7.053 ( -2.727 8.536 -0.044) 8.961 7.605 ( 2.007 -1.739 -0.058) 2.656 7.995 ( 0.465 5.833 1.275) 5.989 10.563 ( -1.093 -3.817 0.026) 3.970 11.090 ( 2.907 0.943 0.286) 3.069 11.540 ( -4.218 -8.970 -0.361) 9.919 14.530 ( -1.631 7.984 -0.221) 8.152 15.688 ( -1.516 1.531 1.302) 2.517 16.104 ( 1.945 -6.060 -1.768) 6.606======================= Grid point 1224 (210/213) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 522Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.030 ( 4.110 7.119 0.000) 8.221 3.505 ( 0.700 1.213 0.000) 1.401 3.693 ( 11.920 20.645 0.000) 23.839 4.164 ( 5.887 10.197 0.000) 11.775 5.324 ( 1.274 2.206 0.000) 2.547 5.634 ( -0.289 -0.500 0.000) 0.578 7.025 ( 4.647 8.049 0.000) 9.294 7.543 ( 0.701 1.214 0.000) 1.402 7.879 ( 5.242 9.079 0.000) 10.484 10.672 ( -4.222 -7.313 0.000) 8.444 11.047 ( -1.466 -2.539 0.000) 2.931 11.792 ( -8.131 -14.084 0.000) 16.262 14.461 ( 4.971 8.611 0.000) 9.943 15.744 ( -0.348 -0.603 0.000) 0.696 16.108 ( -2.834 -4.908 0.000) 5.667======================= Grid point 1226 (211/213) =======================q-point: ( 0.31 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.156 ( 2.127 7.217 -0.585) 7.547 3.491 ( -1.493 -0.905 1.632) 2.390 4.053 ( 3.549 22.801 -1.535) 23.127 4.319 ( 1.617 8.150 -0.547) 8.327 5.341 ( -0.507 0.459 1.510) 1.658 5.605 ( 4.247 -11.046 -0.361) 11.840 7.161 ( 1.060 8.934 -0.078) 8.997 7.549 ( 1.064 -2.611 0.050) 2.820 8.034 ( 2.872 7.259 0.666) 7.835 10.549 ( -2.521 -5.169 0.021) 5.751 11.060 ( 2.414 2.473 0.158) 3.460 11.534 ( -6.761 -11.790 -0.203) 13.593 14.605 ( 2.080 7.592 -0.163) 7.874 15.735 ( -1.289 1.790 1.230) 2.526 16.023 ( -0.385 -6.494 -1.439) 6.663======================= Grid point 1228 (212/213) =======================q-point: ( 0.38 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 522Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.217 ( -3.308 5.730 0.000) 6.617 3.466 ( 0.966 -1.674 0.000) 1.933 4.204 ( -11.478 19.881 0.000) 22.957 4.373 ( -3.285 5.689 -0.000) 6.569 5.334 ( 0.540 -0.936 0.000) 1.080 5.584 ( 8.282 -14.345 -0.000) 16.564 7.217 ( -4.556 7.891 0.000) 9.112 7.542 ( 2.513 -4.352 0.000) 5.025 8.096 ( -2.324 4.026 0.000) 4.649 10.501 ( 1.388 -2.404 0.000) 2.776 11.120 ( -1.089 1.887 0.000) 2.179 11.392 ( 3.447 -5.971 0.000) 6.895 14.662 ( -2.895 5.014 0.000) 5.789 15.734 ( -1.841 3.188 0.000) 3.681 15.984 ( 3.464 -6.000 0.000) 6.928======================= Grid point 1260 (213/213) =======================q-point: ( 0.31 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.290 ( 3.483 6.032 0.000) 6.965 3.428 ( -2.543 -4.404 0.000) 5.085 4.431 ( 1.753 3.037 -0.000) 3.507 4.441 ( 7.809 13.525 0.000) 15.618 5.340 ( -0.446 -0.772 0.000) 0.891 5.389 ( -4.708 -8.155 -0.000) 9.416 7.320 ( 3.926 6.800 0.000) 7.852 7.474 ( -2.648 -4.587 0.000) 5.297 8.138 ( 1.684 2.917 0.000) 3.368 10.476 ( -1.176 -2.037 0.000) 2.352 11.145 ( 3.339 5.784 0.000) 6.679 11.326 ( -5.164 -8.944 0.000) 10.327 14.713 ( 1.738 3.011 0.000) 3.477 15.786 ( 1.894 3.280 0.000) 3.788 15.904 ( -2.992 -5.182 0.000) 5.983=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/30720 10.0 8954.035 8954.035 11468.842 0.000 0.000 0.000 3/30720 20.0 2117.039 2117.039 1922.420 -0.000 0.000 0.000 3/30720 30.0 820.513 820.513 641.844 -0.000 0.000 0.000 3/30720 40.0 428.716 428.716 310.158 -0.000 0.000 0.000 3/30720 50.0 267.188 267.188 181.513 -0.000 0.000 0.000 3/30720 60.0 186.284 186.284 120.487 0.000 0.000 0.000 3/30720 70.0 139.872 139.872 87.390 0.000 0.000 0.000 3/30720 80.0 110.448 110.448 67.452 0.000 0.000 0.000 3/30720 90.0 90.387 90.387 54.416 0.000 0.000 0.000 3/30720 100.0 75.972 75.972 45.347 0.000 0.000 0.000 3/30720 110.0 65.203 65.203 38.731 0.000 0.000 0.000 3/30720 120.0 56.915 56.915 33.722 0.000 0.000 0.000 3/30720 130.0 50.381 50.381 29.819 0.000 0.000 0.000 3/30720 140.0 45.125 45.125 26.703 0.000 0.000 0.000 3/30720 150.0 40.825 40.825 24.165 0.000 0.000 0.000 3/30720 160.0 37.253 37.253 22.063 0.000 0.000 0.000 3/30720 170.0 34.246 34.246 20.297 0.000 0.000 0.000 3/30720 180.0 31.685 31.685 18.794 0.000 0.000 0.000 3/30720 190.0 29.480 29.480 17.500 0.000 0.000 0.000 3/30720 200.0 27.565 27.565 16.375 0.000 0.000 0.000 3/30720 210.0 25.886 25.886 15.388 0.000 0.000 0.000 3/30720 220.0 24.403 24.403 14.517 0.000 0.000 0.000 3/30720 230.0 23.085 23.085 13.741 0.000 0.000 0.000 3/30720 240.0 21.905 21.905 13.046 0.000 0.000 0.000 3/30720 250.0 20.843 20.843 12.420 0.000 0.000 0.000 3/30720 260.0 19.882 19.882 11.853 0.000 0.000 0.000 3/30720 270.0 19.008 19.008 11.337 0.000 0.000 0.000 3/30720 280.0 18.211 18.211 10.865 0.000 0.000 0.000 3/30720 290.0 17.479 17.479 10.433 0.000 0.000 0.000 3/30720 300.0 16.806 16.806 10.035 0.000 0.000 0.000 3/30720 310.0 16.185 16.185 9.666 0.000 0.000 0.000 3/30720 320.0 15.609 15.609 9.325 0.000 0.000 0.000 3/30720 330.0 15.074 15.074 9.008 0.000 0.000 0.000 3/30720 340.0 14.576 14.576 8.712 0.000 0.000 0.000 3/30720 350.0 14.111 14.111 8.436 0.000 0.000 0.000 3/30720 360.0 13.675 13.675 8.177 0.000 0.000 0.000 3/30720 370.0 13.267 13.267 7.934 0.000 0.000 0.000 3/30720 380.0 12.882 12.882 7.706 0.000 0.000 0.000 3/30720 390.0 12.520 12.520 7.491 0.000 0.000 0.000 3/30720 400.0 12.179 12.179 7.287 0.000 0.000 0.000 3/30720 410.0 11.856 11.856 7.095 0.000 0.000 0.000 3/30720 420.0 11.550 11.550 6.913 0.000 0.000 0.000 3/30720 430.0 11.260 11.260 6.740 0.000 0.000 0.000 3/30720 440.0 10.985 10.985 6.576 0.000 0.000 0.000 3/30720 450.0 10.723 10.723 6.420 0.000 0.000 0.000 3/30720 460.0 10.474 10.474 6.272 0.000 0.000 0.000 3/30720 470.0 10.236 10.236 6.130 0.000 0.000 0.000 3/30720 480.0 10.009 10.009 5.994 0.000 0.000 0.000 3/30720 490.0 9.792 9.792 5.865 0.000 0.000 0.000 3/30720 500.0 9.585 9.585 5.741 0.000 0.000 0.000 3/30720 510.0 9.386 9.386 5.623 0.000 0.000 0.000 3/30720 520.0 9.196 9.196 5.509 0.000 0.000 0.000 3/30720 530.0 9.013 9.013 5.400 0.000 0.000 0.000 3/30720 540.0 8.837 8.837 5.295 0.000 0.000 0.000 3/30720 550.0 8.669 8.669 5.194 0.000 0.000 0.000 3/30720 560.0 8.507 8.507 5.098 0.000 0.000 0.000 3/30720 570.0 8.351 8.351 5.004 0.000 0.000 0.000 3/30720 580.0 8.200 8.200 4.914 0.000 0.000 0.000 3/30720 590.0 8.055 8.055 4.828 0.000 0.000 0.000 3/30720 600.0 7.916 7.916 4.744 0.000 0.000 0.000 3/30720 610.0 7.781 7.781 4.664 0.000 0.000 0.000 3/30720 620.0 7.650 7.650 4.586 0.000 0.000 0.000 3/30720 630.0 7.524 7.524 4.510 0.000 0.000 0.000 3/30720 640.0 7.403 7.403 4.437 0.000 0.000 0.000 3/30720 650.0 7.285 7.285 4.367 0.000 0.000 0.000 3/30720 660.0 7.171 7.171 4.299 0.000 0.000 0.000 3/30720 670.0 7.060 7.060 4.233 0.000 0.000 0.000 3/30720 680.0 6.953 6.953 4.168 0.000 0.000 0.000 3/30720 690.0 6.849 6.849 4.106 0.000 0.000 0.000 3/30720 700.0 6.748 6.748 4.046 0.000 0.000 0.000 3/30720 710.0 6.650 6.650 3.987 0.000 0.000 0.000 3/30720 720.0 6.555 6.555 3.930 0.000 0.000 0.000 3/30720 730.0 6.463 6.463 3.875 0.000 0.000 0.000 3/30720 740.0 6.373 6.373 3.822 0.000 0.000 0.000 3/30720 750.0 6.286 6.286 3.769 0.000 0.000 0.000 3/30720 760.0 6.201 6.201 3.719 0.000 0.000 0.000 3/30720 770.0 6.119 6.119 3.669 0.000 0.000 0.000 3/30720 780.0 6.038 6.038 3.621 0.000 0.000 0.000 3/30720 790.0 5.960 5.960 3.574 0.000 0.000 0.000 3/30720 800.0 5.884 5.884 3.529 0.000 0.000 0.000 3/30720 810.0 5.810 5.810 3.484 0.000 0.000 0.000 3/30720 820.0 5.737 5.737 3.441 0.000 0.000 0.000 3/30720 830.0 5.667 5.667 3.398 0.000 0.000 0.000 3/30720 840.0 5.598 5.598 3.357 0.000 0.000 0.000 3/30720 850.0 5.531 5.531 3.317 0.000 0.000 0.000 3/30720 860.0 5.465 5.465 3.278 0.000 0.000 0.000 3/30720 870.0 5.401 5.401 3.239 0.000 0.000 0.000 3/30720 880.0 5.338 5.338 3.202 0.000 0.000 0.000 3/30720 890.0 5.277 5.277 3.165 0.000 0.000 0.000 3/30720 900.0 5.218 5.218 3.129 0.000 0.000 0.000 3/30720 910.0 5.159 5.159 3.095 0.000 0.000 0.000 3/30720 920.0 5.102 5.102 3.060 0.000 0.000 0.000 3/30720 930.0 5.046 5.046 3.027 0.000 0.000 0.000 3/30720 940.0 4.992 4.992 2.994 0.000 0.000 0.000 3/30720 950.0 4.938 4.938 2.962 0.000 0.000 0.000 3/30720 960.0 4.886 4.886 2.931 0.000 0.000 0.000 3/30720 970.0 4.835 4.835 2.900 0.000 0.000 0.000 3/30720 980.0 4.785 4.785 2.870 0.000 0.000 0.000 3/30720 990.0 4.736 4.736 2.841 0.000 0.000 0.000 3/30720 1000.0 4.688 4.688 2.812 0.000 0.000 0.000 3/30720Thermal conductivity related properties were written into "kappa-m16168.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 19:37:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|