# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/1d0852b2-2ead-46f2-859d-2b228e9efb83/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 RbSmO2 / R-3m (166) / materials id 7974](https://mdr.nims.go.jp/datasets/2cd2c602-0e85-4c02-a0ee-c00db919104f) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:38:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 1.784595800741747 1.030336865952921 6.508609339999992 b -1.784595800741743 1.030336865952921 6.508609339999992 c 0.000000000000002 -2.060673731905845 6.508609339999992Atomic positions (fractional): *1 O 0.22631148462954 0.22631148462954 0.22631148462954 15.999 2 O 0.77368851537046 0.77368851537046 0.77368851537046 15.999 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.569191601483490 0.000000000000000 0.000000000000000 b -1.784595800741745 3.091010597858766 0.000000000000000 c 0.000000000000000 0.000000000000000 19.525828019999999Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22631148462954 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.10702184870379 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.55964481796288 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.44035518203712 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.89297815129621 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.77368851537046 15.999 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Sm 0.33333333333333 0.66666666666667 0.16666666666667 150.360 > 4 11 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 4 12 Sm 0.66666666666667 0.33333333333333 0.83333333333333 150.360 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 10.707574804450470 0.000000000000000 0.000000000000000 b -5.353787402225235 9.273031793576298 0.000000000000000 c 0.000000000000000 0.000000000000000 19.525828019999999Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22631148462954 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22631148462954 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22631148462954 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22631148462954 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22631148462954 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22631148462954 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22631148462954 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22631148462954 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22631148462954 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10702184870379 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.10702184870379 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.10702184870379 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.10702184870379 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.10702184870379 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.10702184870379 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.10702184870379 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.10702184870379 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.10702184870379 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.55964481796288 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55964481796288 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55964481796288 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55964481796288 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55964481796288 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55964481796288 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55964481796288 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55964481796288 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55964481796288 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44035518203712 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.44035518203712 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.44035518203712 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.44035518203712 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.44035518203712 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.44035518203712 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.44035518203712 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.44035518203712 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.44035518203712 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.89297815129621 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89297815129621 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89297815129621 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89297815129621 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89297815129621 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89297815129621 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89297815129621 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89297815129621 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89297815129621 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77368851537046 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.77368851537046 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.77368851537046 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.77368851537046 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.77368851537046 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.77368851537046 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.77368851537046 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.77368851537046 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.77368851537046 15.999 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 4 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 4 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 4 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 4 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 4 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 4 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 4 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 4 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 4 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 4 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 4 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 4 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 4 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 4 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 4 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 4 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 4 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 4 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 4 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 4 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 4 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 4 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 4 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 4 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 4 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 4 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.0637547 0.0000000 0.0000000 -0.0000000 4.0637547 0.0000000 0.0000000 0.0000000 3.5289773-------------------------- Born effective charges -------------------------- 1 O -2.7392843 -0.0000000 0.0000000 0.0000000 -2.7392843 0.0000000 0.0000000 0.0000000 -2.1177759 2 O -2.7392843 -0.0000000 0.0000000 0.0000000 -2.7392843 0.0000000 0.0000000 0.0000000 -2.1177759 3 Rb 1.0771358 0.0000000 0.0000000 -0.0000000 1.0771358 0.0000000 0.0000000 0.0000000 1.6996245 4 Sm 4.4014328 0.0000000 0.0000000 -0.0000000 4.4014328 0.0000000 0.0000000 0.0000000 2.5359273----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 221Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.005Solver_block: 80 / 80 - Time: 0.129Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.136--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 221Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:38:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:38:53]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.784595800741747 1.030336865952921 6.508609339999992 b -1.784595800741743 1.030336865952921 6.508609339999992 c 0.000000000000002 -2.060673731905845 6.508609339999992Atomic positions (fractional): 1 O 0.22631148462954 0.22631148462954 0.22631148462954 15.999 2 O 0.77368851537046 0.77368851537046 0.77368851537046 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 10.707574804450470 0.000000000000000 0.000000000000000 b -5.353787402225235 9.273031793576298 0.000000000000000 c 0.000000000000000 0.000000000000000 19.525828019999999Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22631148462954 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22631148462954 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22631148462954 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22631148462954 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22631148462954 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22631148462954 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22631148462954 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22631148462954 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22631148462954 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10702184870379 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10702184870379 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10702184870379 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10702184870379 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10702184870379 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10702184870379 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10702184870379 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10702184870379 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10702184870379 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.55964481796288 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55964481796288 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55964481796288 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55964481796288 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55964481796288 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55964481796288 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55964481796288 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55964481796288 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55964481796288 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44035518203712 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.44035518203712 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.44035518203712 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.44035518203712 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.44035518203712 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.44035518203712 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.44035518203712 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.44035518203712 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.44035518203712 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89297815129621 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89297815129621 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89297815129621 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89297815129621 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89297815129621 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89297815129621 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89297815129621 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89297815129621 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89297815129621 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77368851537046 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77368851537046 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77368851537046 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77368851537046 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77368851537046 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77368851537046 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77368851537046 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77368851537046 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77368851537046 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 82 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 82 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 82 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 82 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 82 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 82 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 82 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 82 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 82 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 82 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 82 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 82 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 82 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 82 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 82 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 82 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 82 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 82 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 82 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 82 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 82 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 82 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 82 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 82 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 82 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 82 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.0637547 0.0000000 0.0000000 -0.0000000 4.0637547 0.0000000 0.0000000 0.0000000 3.5289773-------------------------- Born effective charges -------------------------- 1 O -2.7392843 -0.0000000 0.0000000 0.0000000 -2.7392843 0.0000000 0.0000000 0.0000000 -2.1177759 2 O -2.7392843 -0.0000000 0.0000000 0.0000000 -2.7392843 0.0000000 0.0000000 0.0000000 -2.1177759 3 Rb 1.0771358 0.0000000 0.0000000 -0.0000000 1.0771358 0.0000000 0.0000000 0.0000000 1.6996245 4 Sm 4.4014328 0.0000000 0.0000000 -0.0000000 4.4014328 0.0000000 0.0000000 0.0000000 2.5359273----------------------------------------------------------------------------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[ 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]Computing fc3[ 82, 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:38:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:38:58]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.784595800741747 1.030336865952921 6.508609339999992 b -1.784595800741743 1.030336865952921 6.508609339999992 c 0.000000000000002 -2.060673731905845 6.508609339999992Atomic positions (fractional): 1 O 0.22631148462954 0.22631148462954 0.22631148462954 15.999 2 O 0.77368851537046 0.77368851537046 0.77368851537046 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 10.707574804450470 0.000000000000000 0.000000000000000 b -5.353787402225235 9.273031793576298 0.000000000000000 c 0.000000000000000 0.000000000000000 19.525828019999999Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22631148462954 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22631148462954 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22631148462954 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22631148462954 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22631148462954 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22631148462954 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22631148462954 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22631148462954 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22631148462954 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10702184870379 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10702184870379 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10702184870379 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10702184870379 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10702184870379 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10702184870379 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10702184870379 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10702184870379 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10702184870379 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.55964481796288 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55964481796288 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55964481796288 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55964481796288 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55964481796288 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55964481796288 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55964481796288 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55964481796288 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55964481796288 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44035518203712 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.44035518203712 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.44035518203712 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.44035518203712 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.44035518203712 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.44035518203712 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.44035518203712 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.44035518203712 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.44035518203712 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89297815129621 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89297815129621 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89297815129621 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89297815129621 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89297815129621 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89297815129621 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89297815129621 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89297815129621 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89297815129621 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77368851537046 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77368851537046 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77368851537046 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77368851537046 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77368851537046 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77368851537046 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77368851537046 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77368851537046 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77368851537046 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 82 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 82 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 82 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 82 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 82 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 82 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 82 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 82 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 82 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 82 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 82 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 82 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 82 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 82 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 82 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 82 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 82 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 82 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 82 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 82 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 82 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 82 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 82 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 82 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 82 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 82 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.0637547 0.0000000 0.0000000 -0.0000000 4.0637547 0.0000000 0.0000000 0.0000000 3.5289773-------------------------- Born effective charges -------------------------- 1 O -2.7392843 -0.0000000 0.0000000 0.0000000 -2.7392843 0.0000000 0.0000000 0.0000000 -2.1177759 2 O -2.7392843 -0.0000000 0.0000000 0.0000000 -2.7392843 0.0000000 0.0000000 0.0000000 -2.1177759 3 Rb 1.0771358 0.0000000 0.0000000 -0.0000000 1.0771358 0.0000000 0.0000000 0.0000000 1.6996245 4 Sm 4.4014328 0.0000000 0.0000000 -0.0000000 4.4014328 0.0000000 0.0000000 0.0000000 2.5359273----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 16 16 16 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.00, Number of G-points: 313, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/417) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 417Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 13.501 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/417) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( 19.499 11.258 6.514) 23.439 0.575 ( 24.137 13.935 -0.286) 27.872 1.066 ( 42.640 24.618 6.353) 49.645 2.084 ( 2.852 1.646 -0.736) 3.374 2.217 ( 13.201 7.621 -0.227) 15.245 4.193 ( -0.493 -0.285 2.844) 2.900 6.596 ( 5.029 2.904 0.357) 5.818 9.052 ( -12.775 -7.376 -9.520) 17.556 10.318 ( -3.526 -2.036 0.083) 4.072 10.476 ( 10.447 6.031 -16.927) 20.786 13.279 ( -17.077 -9.859 2.655) 19.897 14.440 ( 6.684 3.859 -9.419) 12.178======================= Grid point 2 (3/417) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( 18.609 10.744 4.576) 21.970 1.110 ( 21.306 12.301 0.132) 24.603 1.946 ( 29.286 16.908 5.650) 34.285 2.184 ( 6.098 3.521 -1.395) 7.178 2.714 ( 30.103 17.380 0.132) 34.760 4.184 ( -0.755 -0.436 -0.778) 1.168 6.771 ( 9.744 5.625 0.347) 11.256 8.671 ( -17.328 -10.004 1.356) 20.054 10.204 ( -6.024 -3.478 0.245) 6.960 10.658 ( 9.001 5.197 -19.536) 22.129 12.810 ( -23.483 -13.558 8.632) 28.457 14.526 ( 2.261 1.305 -7.257) 7.713======================= Grid point 3 (4/417) =======================q-point: ( 0.19 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 17.329 10.005 3.040) 20.240 1.549 ( 15.842 9.147 0.545) 18.301 2.367 ( 10.105 5.834 -1.755) 11.799 2.497 ( 18.534 10.701 3.930) 21.759 3.543 ( 37.717 21.776 0.691) 43.557 4.146 ( -2.070 -1.195 -2.782) 3.668 7.044 ( 13.316 7.688 -0.194) 15.377 8.299 ( -13.875 -8.011 -0.777) 16.040 10.053 ( -6.666 -3.849 0.554) 7.717 10.736 ( 2.315 1.337 -18.546) 18.737 12.272 ( -25.600 -14.780 16.181) 33.699 14.493 ( -2.511 -1.450 -9.348) 9.788======================= Grid point 4 (5/417) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( 15.762 9.100 2.858) 18.423 1.848 ( 9.805 5.661 0.515) 11.334 2.636 ( 12.877 7.435 -1.488) 14.944 2.886 ( 14.215 8.207 2.198) 16.560 4.059 ( -3.976 -2.296 -5.192) 6.931 4.392 ( 33.168 19.150 2.072) 38.355 7.372 ( 14.417 8.324 -1.122) 16.685 8.050 ( -6.112 -3.529 -4.919) 8.602 9.914 ( -5.043 -2.912 1.019) 5.912 10.634 ( -6.014 -3.472 -17.882) 19.183 11.728 ( -26.331 -15.202 22.019) 37.540 14.375 ( -4.061 -2.345 -10.878) 11.846======================= Grid point 5 (6/417) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 6.019 3.475 0.248) 6.954 2.133 ( 14.073 8.125 3.904) 16.713 2.929 ( 11.999 6.928 -0.925) 13.887 3.179 ( 10.706 6.181 -0.736) 12.384 3.915 ( -7.032 -4.060 -3.183) 8.722 5.085 ( 25.340 14.630 0.735) 29.269 7.684 ( 12.170 7.027 -1.976) 14.191 8.000 ( 3.772 2.178 -7.693) 8.840 9.838 ( -1.618 -0.934 1.463) 2.373 10.364 ( -11.695 -6.752 -15.290) 20.400 11.166 ( -28.190 -16.276 21.280) 38.890 14.265 ( -2.116 -1.222 -9.625) 9.931======================= Grid point 6 (7/417) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( 3.694 2.133 0.076) 4.267 2.459 ( 12.577 7.262 5.395) 15.493 3.172 ( 8.742 5.047 -0.485) 10.106 3.374 ( 6.456 3.727 -7.014) 10.236 3.723 ( -8.545 -4.933 1.936) 10.055 5.576 ( 16.708 9.647 0.031) 19.293 7.910 ( 7.658 4.421 -2.132) 9.096 8.173 ( 12.962 7.483 -8.215) 17.073 9.846 ( 1.579 0.912 1.491) 2.356 10.031 ( -12.790 -7.384 -9.322) 17.464 10.545 ( -29.364 -16.953 14.379) 36.830 14.221 ( 0.395 0.228 -6.284) 6.301======================= Grid point 7 (8/417) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( 1.804 1.041 0.013) 2.083 2.756 ( 11.175 6.452 6.540) 14.466 3.327 ( 4.528 2.614 -0.202) 5.232 3.354 ( -5.974 -3.449 -12.837) 14.573 3.621 ( -0.469 -0.271 6.660) 6.682 5.869 ( 8.477 4.894 -0.178) 9.790 8.031 ( 3.324 1.919 -1.348) 4.068 8.535 ( 19.607 11.320 -7.424) 23.827 9.677 ( -19.517 -11.268 3.175) 22.759 9.899 ( 2.079 1.201 0.918) 2.571 9.980 ( -16.888 -9.751 1.686) 19.574 14.228 ( 1.037 0.599 -2.861) 3.102======================= Grid point 8 (9/417) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.227 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 3.185 ( -0.000 -0.000 -0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.912 ( 0.000 0.000 -0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.812 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 14.237 ( 0.000 0.000 -0.000) 0.000======================= Grid point 18 (10/417) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.547 ( 0.000 21.038 17.543) 27.393 0.616 ( 0.000 27.117 7.910) 28.247 1.058 ( 0.000 48.374 5.070) 48.639 2.084 ( -0.000 3.410 -0.734) 3.488 2.211 ( -0.000 15.143 -1.421) 15.210 4.205 ( 0.000 -2.341 4.913) 5.442 6.599 ( 0.000 5.856 0.789) 5.909 8.953 ( -0.000 -5.998 -28.565) 29.188 10.314 ( -0.000 -4.221 -0.714) 4.281 10.489 ( -0.000 14.412 -13.159) 19.516 13.279 ( 0.000 -20.553 2.557) 20.711 14.382 ( -0.000 11.464 -19.073) 22.253======================= Grid point 19 (11/417) =======================q-point: ( 0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.869 ( 8.308 18.713 12.748) 24.119 1.021 ( 10.978 23.248 4.288) 26.064 1.748 ( 20.887 32.260 6.374) 38.956 2.153 ( 3.019 5.929 -1.419) 6.803 2.528 ( 14.809 24.600 -1.228) 28.740 4.188 ( -0.663 -1.069 -0.081) 1.261 6.719 ( 4.875 8.768 1.059) 10.088 8.756 ( -5.942 -15.264 -4.231) 16.917 10.208 ( -3.676 -6.432 -1.844) 7.635 10.603 ( 1.714 13.749 -18.657) 23.239 12.953 ( -11.109 -23.934 6.376) 27.146 14.476 ( 3.376 5.507 -11.655) 13.325======================= Grid point 20 (12/417) =======================q-point: ( 0.19 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 12.020 15.397 7.786) 21.028 1.444 ( 11.700 17.282 2.603) 21.032 2.305 ( 6.568 10.214 -1.705) 12.262 2.339 ( 16.013 16.702 4.812) 23.633 3.215 ( 28.863 30.807 -0.279) 42.217 4.155 ( -1.422 -1.127 -2.735) 3.282 6.948 ( 9.013 11.571 0.889) 14.694 8.438 ( -12.166 -12.510 0.669) 17.463 10.068 ( -3.117 -8.068 -1.345) 8.753 10.677 ( 0.928 7.016 -20.113) 21.322 12.496 ( -16.171 -23.815 13.044) 31.604 14.493 ( -1.319 0.980 -10.370) 10.499======================= Grid point 21 (13/417) =======================q-point: ( 0.25 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 12.908 12.698 4.834) 18.741 1.774 ( 8.574 11.251 1.773) 14.257 2.557 ( 8.813 14.123 -1.840) 16.749 2.750 ( 13.384 11.434 3.514) 17.950 3.998 ( 18.092 13.886 -8.853) 24.465 4.141 ( 9.849 10.852 4.774) 15.413 7.260 ( 11.212 13.815 0.202) 17.794 8.132 ( -10.040 -6.818 -2.436) 12.379 9.937 ( -2.788 -6.732 -0.099) 7.288 10.625 ( -3.377 -1.110 -19.435) 19.758 12.007 ( -18.755 -22.467 19.223) 35.015 14.396 ( -4.702 -1.418 -11.226) 12.254======================= Grid point 22 (14/417) =======================q-point: ( 0.31 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( 8.005 7.711 2.724) 11.444 2.004 ( 10.166 10.391 2.211) 14.703 2.861 ( 8.860 15.087 -1.540) 17.564 3.068 ( 10.411 8.853 1.293) 13.728 3.958 ( -4.252 -4.123 -5.649) 8.185 4.815 ( 25.524 20.565 2.034) 32.840 7.597 ( 10.180 14.616 -0.819) 17.830 7.968 ( -2.097 -0.862 -5.873) 6.295 9.846 ( -1.395 -3.793 1.034) 4.172 10.416 ( -8.444 -6.910 -17.382) 20.523 11.499 ( -22.095 -20.714 20.552) 36.601 14.262 ( -3.701 -2.154 -10.541) 11.378======================= Grid point 23 (15/417) =======================q-point: ( 0.38 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( 2.774 6.260 0.550) 6.869 2.329 ( 12.500 8.440 4.254) 15.671 3.136 ( 6.812 12.086 -2.146) 14.038 3.298 ( 5.955 8.256 -2.829) 10.566 3.802 ( -6.299 -5.329 -0.959) 8.306 5.381 ( 18.681 13.598 0.894) 23.123 7.883 ( 6.466 13.325 -1.715) 14.910 8.016 ( 7.587 4.728 -7.339) 11.566 9.819 ( 0.661 -1.945 1.966) 2.843 10.115 ( -10.241 -8.779 -12.923) 18.681 10.934 ( -26.761 -17.393 15.667) 35.555 14.177 ( 0.168 -2.393 -7.378) 7.758======================= Grid point 24 (16/417) =======================q-point: ( 0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.220 ( 0.576 5.557 0.135) 5.588 2.635 ( 11.944 6.762 5.131) 14.653 3.294 ( 2.693 1.847 -9.417) 9.967 3.413 ( -1.886 11.066 -4.154) 11.970 3.668 ( -3.603 -2.593 7.079) 8.355 5.752 ( 11.622 7.282 0.303) 13.718 8.079 ( 0.737 13.381 -1.596) 13.496 8.264 ( 16.901 6.117 -7.496) 19.475 9.785 ( -4.981 -9.536 2.344) 11.011 9.840 ( -5.311 -6.226 -5.401) 9.805 10.366 ( -25.265 -5.452 7.353) 26.872 14.165 ( 3.081 -3.086 -3.480) 5.579======================= Grid point 25 (17/417) =======================q-point: ( 0.50 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( -1.464 4.728 -0.096) 4.950 2.902 ( 8.601 3.560 4.539) 10.356 3.192 ( -3.994 -3.231 -11.295) 12.408 3.476 ( -3.426 9.743 0.617) 10.346 3.657 ( -1.493 1.419 4.656) 5.091 5.939 ( 4.370 1.744 0.170) 4.708 8.172 ( -4.350 12.477 -1.069) 13.257 8.646 ( 21.497 2.448 -6.474) 22.584 9.432 ( -17.577 -12.262 5.521) 22.131 9.728 ( 0.488 -6.680 -1.712) 6.914 10.120 ( -9.810 10.287 0.924) 14.245 14.184 ( 3.527 -4.090 -0.184) 5.404======================= Grid point 26 (18/417) =======================q-point: (-0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.264 ( -3.339 3.551 -0.241) 4.880 2.846 ( -8.785 -6.073 -6.987) 12.762 3.276 ( 9.884 4.642 5.449) 12.204 3.472 ( -6.676 6.679 0.021) 9.444 3.632 ( -3.861 1.023 -0.144) 3.997 5.939 ( -3.694 -2.978 0.287) 4.753 8.176 ( -7.934 10.072 -0.080) 12.822 8.697 ( -9.921 -16.898 3.885) 19.977 9.382 ( 17.206 9.094 -4.743) 20.031 9.747 ( 6.568 -2.619 2.181) 7.400 10.110 ( -4.880 12.616 -1.168) 13.577 14.198 ( 2.611 -4.550 2.633) 5.869======================= Grid point 27 (19/417) =======================q-point: (-0.38 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( -5.030 2.013 -0.378) 5.431 2.580 ( -11.305 -6.307 -6.408) 14.444 3.354 ( -10.288 2.399 3.374) 11.089 3.478 ( -4.516 1.723 8.610) 9.874 3.600 ( 7.205 3.231 -6.911) 10.493 5.752 ( -12.232 -6.648 0.316) 13.926 8.091 ( -11.250 5.636 0.950) 12.618 8.335 ( -13.100 -11.679 7.155) 18.953 9.755 ( 11.944 -1.150 -3.457) 12.487 9.896 ( 11.049 4.821 5.522) 13.260 10.289 ( 12.751 17.034 -8.455) 22.896 14.208 ( 2.191 -3.525 5.461) 6.859======================= Grid point 28 (20/417) =======================q-point: (-0.31 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.125 ( -6.725 0.158 -0.602) 6.754 2.287 ( -13.074 -5.869 -4.407) 14.994 3.154 ( -15.197 1.494 1.764) 15.372 3.318 ( -10.924 -3.350 1.322) 11.502 3.812 ( 9.920 3.675 1.056) 10.632 5.376 ( -21.450 -9.719 0.003) 23.549 7.899 ( -14.708 0.777 1.633) 14.819 8.088 ( -7.660 -5.140 7.628) 11.970 9.800 ( 1.715 -1.649 -1.831) 3.002 10.239 ( 14.982 6.020 12.825) 20.619 10.767 ( 25.555 13.843 -19.007) 34.727 14.252 ( 3.247 -0.896 8.024) 8.702======================= Grid point 29 (21/417) =======================q-point: (-0.25 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -12.905 -5.525 -2.624) 14.281 1.993 ( -11.714 -1.499 -0.478) 11.819 2.876 ( -17.712 0.221 1.430) 17.771 3.058 ( -13.733 -5.360 -0.816) 14.765 3.998 ( 6.992 2.224 2.551) 7.768 4.802 ( -31.194 -12.283 -0.503) 33.529 7.607 ( -17.886 -2.228 1.249) 18.067 8.026 ( 0.968 0.231 6.132) 6.212 9.834 ( 4.324 -0.388 -1.394) 4.560 10.577 ( 11.237 4.280 15.649) 19.735 11.294 ( 28.447 9.864 -21.634) 37.075 14.356 ( 4.662 1.763 8.904) 10.204======================= Grid point 30 (22/417) =======================q-point: (-0.19 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( -17.933 -5.493 -1.372) 18.805 1.764 ( -14.194 -2.333 -0.269) 14.387 2.572 ( -16.479 -0.618 1.259) 16.539 2.724 ( -17.482 -5.944 -1.844) 18.557 4.049 ( -39.225 -12.815 -0.845) 41.274 4.117 ( 3.831 1.040 2.348) 4.612 7.262 ( -17.769 -3.453 0.545) 18.110 8.158 ( 9.464 4.067 2.761) 10.664 9.934 ( 7.524 -0.296 -0.705) 7.563 10.785 ( 3.596 1.575 12.970) 13.551 11.835 ( 30.167 7.675 -15.477) 34.764 14.486 ( 3.993 2.317 7.126) 8.491======================= Grid point 31 (23/417) =======================q-point: (-0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -20.819 -4.266 -0.878) 21.270 1.432 ( -20.911 -2.425 0.113) 21.051 2.302 ( -23.157 -4.858 -1.664) 23.719 2.321 ( -12.548 -0.978 0.452) 12.594 3.214 ( -41.115 -8.972 -0.518) 42.086 4.173 ( 1.436 0.286 0.973) 1.758 6.944 ( -14.664 -2.428 0.047) 14.863 8.434 ( 16.131 4.187 -0.176) 16.666 10.074 ( 8.772 -0.564 -0.064) 8.790 10.820 ( -4.426 0.260 8.579) 9.657 12.397 ( 30.109 5.063 -6.805) 31.281 14.562 ( 0.400 0.817 3.699) 3.809======================= Grid point 32 (24/417) =======================q-point: (-0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.804 ( -22.688 0.000 0.000) 22.688 1.000 ( -26.262 0.000 0.000) 26.262 1.718 ( -39.465 0.000 0.000) 39.465 2.160 ( -6.616 0.000 0.000) 6.616 2.534 ( -28.524 0.000 0.000) 28.524 4.188 ( 0.213 -0.000 -0.000) 0.213 6.714 ( -10.056 0.000 0.000) 10.056 8.777 ( 19.661 -0.000 -0.000) 19.661 10.216 ( 7.504 -0.000 -0.000) 7.504 10.700 ( -10.787 0.000 0.000) 10.787 12.920 ( 26.857 -0.000 -0.000) 26.857 14.535 ( -4.206 0.000 0.000) 4.206======================= Grid point 35 (25/417) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( 0.000 19.574 14.972) 24.643 1.178 ( 0.000 23.265 6.773) 24.230 1.939 ( 0.000 33.396 5.133) 33.789 2.184 ( -0.000 7.301 -1.452) 7.444 2.693 ( -0.000 34.372 -2.009) 34.430 4.181 ( -0.000 -1.156 -1.203) 1.669 6.783 ( 0.000 11.589 1.520) 11.689 8.620 ( -0.000 -15.065 -3.654) 15.502 10.188 ( -0.000 -7.294 -1.331) 7.414 10.672 ( -0.000 11.643 -17.529) 21.044 12.783 ( 0.000 -29.941 6.037) 30.543 14.471 ( -0.000 6.575 -11.806) 13.514======================= Grid point 36 (26/417) =======================q-point: ( 0.19 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 3.763 18.044 11.703) 21.833 1.484 ( 6.560 18.621 5.115) 20.395 2.311 ( 4.902 11.078 -1.725) 12.236 2.329 ( 8.422 21.895 4.461) 23.880 3.191 ( 13.616 39.047 -1.750) 41.390 4.157 ( -0.853 -0.646 -2.639) 2.848 6.963 ( 4.906 14.282 1.768) 15.204 8.440 ( -3.773 -13.931 1.009) 14.468 10.052 ( -4.764 -7.531 -2.295) 9.202 10.696 ( -1.286 6.218 -19.471) 20.480 12.441 ( -5.791 -30.947 10.197) 33.094 14.493 ( -0.271 2.961 -10.117) 10.545======================= Grid point 37 (27/417) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 7.130 15.051 7.765) 18.376 1.778 ( 6.612 13.145 3.530) 15.132 2.564 ( 8.326 16.403 -1.658) 18.469 2.685 ( 9.778 14.777 3.501) 18.062 3.837 ( 17.104 24.844 -6.834) 30.927 4.156 ( 2.194 8.063 1.738) 8.535 7.249 ( 8.665 16.982 1.835) 19.153 8.215 ( -8.165 -8.948 0.234) 12.115 9.900 ( -2.610 -6.965 -2.220) 7.762 10.618 ( -3.693 -0.929 -19.881) 20.242 12.042 ( -9.260 -29.456 15.514) 34.556 14.435 ( -4.233 -0.150 -9.949) 10.813======================= Grid point 38 (28/417) =======================q-point: ( 0.31 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( 8.931 11.321 5.550) 15.451 2.006 ( 5.247 10.527 1.948) 11.923 2.878 ( 7.439 16.264 -1.670) 17.962 3.008 ( 10.328 13.686 2.100) 17.274 3.948 ( -1.528 -3.318 -7.835) 8.645 4.653 ( 20.060 26.379 3.323) 33.306 7.599 ( 9.327 18.432 1.448) 20.708 8.015 ( -6.304 -2.243 -2.948) 7.311 9.814 ( -0.011 -4.574 -0.800) 4.643 10.421 ( -6.874 -6.959 -18.659) 21.067 11.623 ( -12.395 -26.859 18.018) 34.636 14.295 ( -6.155 -1.932 -9.931) 11.842======================= Grid point 39 (29/417) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( 4.259 7.387 3.081) 9.066 2.242 ( 9.194 10.979 2.503) 14.537 3.107 ( 6.018 7.310 -3.395) 10.059 3.337 ( 6.772 19.379 -0.122) 20.529 3.834 ( -4.021 -4.841 -2.802) 6.888 5.222 ( 17.435 17.817 1.770) 24.991 7.870 ( 4.191 5.922 -2.200) 7.581 8.023 ( 3.525 15.904 -2.086) 16.423 9.796 ( 0.980 -1.501 0.770) 1.951 10.139 ( -8.709 -9.701 -15.392) 20.171 11.171 ( -16.838 -22.528 15.411) 32.071 14.147 ( -3.571 -3.385 -8.239) 9.597======================= Grid point 40 (30/417) =======================q-point: ( 0.44 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.282 ( 1.172 7.749 1.372) 7.956 2.525 ( 10.482 8.437 3.370) 13.871 3.213 ( 3.582 0.231 -8.886) 9.584 3.582 ( -1.311 14.593 -2.449) 14.855 3.738 ( -2.550 2.848 5.226) 6.475 5.624 ( 12.411 9.303 1.032) 15.545 8.016 ( 10.875 3.374 -3.956) 12.054 8.268 ( 0.833 20.492 -1.454) 20.561 9.786 ( -2.090 -3.130 2.074) 4.297 9.855 ( -7.266 -8.670 -9.886) 15.023 10.702 ( -19.031 -12.530 8.925) 24.471 14.062 ( 1.286 -5.265 -4.920) 7.320======================= Grid point 41 (31/417) =======================q-point: ( 0.50 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.360 ( -1.556 7.696 0.407) 7.862 2.793 ( 10.051 5.564 3.898) 12.132 3.171 ( -1.708 -3.099 -13.524) 13.980 3.578 ( -2.106 -1.309 5.446) 5.984 3.840 ( -5.331 19.219 1.667) 20.014 5.857 ( 7.297 2.347 0.647) 7.693 8.288 ( 17.163 1.852 -3.144) 17.547 8.429 ( -4.650 18.761 -2.288) 19.464 9.606 ( -11.939 -7.509 4.278) 14.738 9.667 ( -3.033 -7.415 -4.574) 9.225 10.399 ( -11.521 3.822 2.039) 12.308 14.046 ( 4.756 -7.085 -1.322) 8.635======================= Grid point 42 (32/417) =======================q-point: (-0.44 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.383 ( -4.082 6.518 -0.312) 7.697 2.894 ( -4.048 -3.762 -4.166) 6.920 3.159 ( 8.205 4.519 -3.568) 10.024 3.545 ( -1.127 -4.113 5.245) 6.760 3.891 ( -11.332 18.714 0.032) 21.878 5.933 ( 1.395 -2.675 0.481) 3.055 8.454 ( -5.965 6.481 -4.534) 9.906 8.545 ( 6.764 -0.266 2.232) 7.128 9.367 ( -6.603 3.383 1.034) 7.491 9.626 ( 4.859 -3.026 0.735) 5.772 10.324 ( -6.724 9.160 -1.413) 11.450 14.066 ( 5.803 -7.738 1.809) 9.840======================= Grid point 43 (33/417) =======================q-point: (-0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.346 ( -5.954 3.999 -0.966) 7.237 2.695 ( -10.040 -3.605 -6.059) 12.268 3.397 ( 11.031 3.776 4.356) 12.446 3.478 ( -2.158 -4.487 0.546) 5.009 3.818 ( -16.338 15.126 -0.745) 22.277 5.854 ( -5.876 -5.511 0.394) 8.065 8.306 ( -7.755 -8.347 -0.649) 11.412 8.502 ( -12.499 5.907 4.380) 14.501 9.524 ( 12.898 7.915 -4.013) 15.656 9.765 ( 9.729 2.201 5.074) 11.191 10.324 ( -1.459 9.070 -5.227) 10.569 14.104 ( 5.740 -6.387 4.364) 9.632======================= Grid point 44 (34/417) =======================q-point: (-0.31 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.250 ( -7.135 0.682 -1.667) 7.359 2.455 ( -12.307 -1.700 -3.735) 12.973 3.350 ( -6.717 -4.619 4.197) 9.169 3.621 ( -19.028 9.525 0.023) 21.279 3.656 ( 10.935 3.411 -0.964) 11.495 5.616 ( -14.644 -6.624 0.224) 16.074 8.086 ( -6.975 -7.978 3.006) 11.016 8.313 ( -17.149 6.002 3.070) 18.426 9.736 ( 4.644 1.728 -2.659) 5.623 10.055 ( 16.056 5.602 9.895) 19.674 10.480 ( 13.268 8.004 -13.342) 20.448 14.174 ( 6.063 -3.219 6.014) 9.126======================= Grid point 45 (35/417) =======================q-point: (-0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( -9.146 -2.351 -2.186) 9.693 2.211 ( -13.519 0.147 -1.031) 13.559 3.169 ( -11.225 -2.390 2.757) 11.803 3.319 ( -21.391 3.718 -1.493) 21.763 3.875 ( 9.945 1.754 0.999) 10.147 5.203 ( -24.875 -6.780 -0.038) 25.782 7.907 ( -12.338 -1.324 1.764) 12.534 8.086 ( -9.943 0.592 3.875) 10.687 9.772 ( 1.439 -0.093 -1.581) 2.140 10.435 ( 15.117 4.406 14.589) 21.465 10.832 ( 24.542 4.902 -18.985) 31.413 14.291 ( 6.750 -0.007 5.935) 8.988======================= Grid point 46 (36/417) =======================q-point: (-0.19 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( -14.596 -2.287 -1.084) 14.814 1.985 ( -12.701 0.080 -0.147) 12.702 2.916 ( -19.014 1.693 2.171) 19.213 2.967 ( -17.336 -2.513 -1.954) 17.626 4.038 ( 6.862 0.717 0.863) 6.953 4.614 ( -34.849 -5.184 -0.152) 35.232 7.588 ( -20.783 -0.479 0.381) 20.792 8.070 ( 4.068 0.789 2.413) 4.796 9.814 ( 4.632 -0.532 -0.695) 4.714 10.719 ( 9.325 1.568 8.119) 12.463 11.309 ( 30.426 2.849 -10.568) 32.335 14.431 ( 6.323 1.091 3.672) 7.393======================= Grid point 47 (37/417) =======================q-point: (-0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( -18.874 0.000 0.000) 18.874 1.742 ( -15.579 0.000 0.000) 15.579 2.582 ( -18.162 0.000 0.000) 18.162 2.649 ( -18.625 0.000 0.000) 18.625 3.908 ( -41.585 0.000 0.000) 41.585 4.134 ( 3.624 -0.000 -0.000) 3.624 7.230 ( -18.996 0.000 0.000) 18.996 8.215 ( 10.885 -0.000 -0.000) 10.885 9.921 ( 7.789 -0.000 -0.000) 7.789 10.847 ( 2.949 -0.000 -0.000) 2.949 11.860 ( 31.935 -0.000 -0.000) 31.935 14.536 ( 3.878 -0.000 -0.000) 3.878======================= Grid point 52 (38/417) =======================q-point: ( 0.19 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 0.000 16.433 11.553) 20.088 1.618 ( 0.000 16.128 4.811) 16.830 2.369 ( -0.000 12.197 -1.697) 12.314 2.499 ( 0.000 21.429 3.797) 21.763 3.480 ( -0.000 39.873 -3.279) 40.008 4.159 ( -0.000 1.809 -1.980) 2.682 7.077 ( 0.000 15.970 1.813) 16.072 8.346 ( 0.000 -10.943 2.727) 11.278 10.018 ( -0.000 -8.077 -1.578) 8.230 10.683 ( -0.000 1.139 -22.382) 22.411 12.188 ( 0.000 -33.464 11.356) 35.338 14.497 ( -0.000 2.767 -8.637) 9.070======================= Grid point 53 (39/417) =======================q-point: ( 0.25 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.724 ( 2.300 14.286 8.877) 16.976 1.818 ( 4.394 11.590 3.674) 12.928 2.572 ( 7.802 15.473 -1.313) 17.379 2.743 ( 3.533 17.141 2.732) 17.714 3.851 ( 4.976 17.739 -8.955) 20.485 4.252 ( 2.723 19.797 3.375) 20.266 7.303 ( 5.779 17.517 1.944) 18.548 8.237 ( -3.468 -6.927 2.705) 8.206 9.889 ( -4.191 -6.614 -2.226) 8.140 10.574 ( -1.658 -5.009 -23.217) 23.809 11.868 ( -2.658 -32.811 14.518) 35.977 14.472 ( -2.616 0.887 -7.712) 8.192======================= Grid point 54 (40/417) =======================q-point: ( 0.31 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 4.693 11.285 6.548) 13.866 2.019 ( 5.640 9.204 2.389) 11.056 2.911 ( 8.374 17.059 -1.668) 19.077 2.982 ( 8.190 13.380 1.588) 15.768 3.908 ( -0.188 -1.605 -8.165) 8.323 4.682 ( 10.871 30.350 3.584) 32.437 7.634 ( 9.385 18.783 2.426) 21.136 8.105 ( -6.284 -1.654 0.034) 6.498 9.771 ( -1.410 -4.163 -2.314) 4.967 10.380 ( -4.041 -9.174 -20.708) 23.007 11.528 ( -5.007 -30.928 15.937) 35.151 14.366 ( -6.494 -0.928 -7.688) 10.106======================= Grid point 55 (41/417) =======================q-point: ( 0.38 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 5.479 7.313 5.663) 10.750 2.230 ( 6.825 10.425 0.861) 12.491 3.086 ( 2.604 6.400 -3.490) 7.741 3.378 ( 12.580 20.128 -0.320) 23.738 3.836 ( -2.280 -3.229 -2.987) 4.954 5.167 ( 11.937 21.937 2.160) 25.068 7.897 ( -0.776 6.001 -0.175) 6.053 8.117 ( 5.551 16.756 0.777) 17.669 9.747 ( 2.299 -1.720 -1.836) 3.408 10.127 ( -6.529 -9.682 -16.610) 20.305 11.169 ( -7.468 -27.809 14.313) 32.156 14.192 ( -7.821 -2.599 -7.473) 11.125======================= Grid point 56 (42/417) =======================q-point: ( 0.44 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 4.286 6.297 4.191) 8.694 2.469 ( 7.921 10.267 0.618) 12.982 3.137 ( 1.758 -0.153 -7.352) 7.561 3.682 ( -0.707 4.193 -2.164) 4.771 3.847 ( 4.716 15.746 3.895) 16.892 5.533 ( 9.655 11.478 1.372) 15.062 7.924 ( 2.342 3.855 -1.534) 4.764 8.440 ( 4.823 21.240 1.615) 21.840 9.748 ( 0.272 -6.620 -5.814) 8.814 9.897 ( -5.932 -1.561 -6.969) 9.284 10.810 ( -9.022 -20.600 9.806) 24.534 14.017 ( -4.763 -4.893 -6.021) 9.104======================= Grid point 57 (43/417) =======================q-point: ( 0.50 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.448 ( 1.535 7.182 2.363) 7.715 2.706 ( 8.042 7.716 1.098) 11.199 3.107 ( 0.614 -3.222 -10.760) 11.249 3.617 ( -3.802 -3.356 4.889) 7.044 4.135 ( -0.213 24.578 0.838) 24.593 5.748 ( 7.115 1.919 1.000) 7.437 8.066 ( 9.361 3.384 -0.859) 9.991 8.681 ( -1.220 18.644 0.557) 18.692 9.590 ( -2.071 -9.507 -7.180) 12.092 9.794 ( -9.777 1.255 1.639) 9.992 10.559 ( -5.545 -5.636 3.437) 8.621 13.903 ( 0.888 -7.611 -3.272) 8.332======================= Grid point 58 (44/417) =======================q-point: ( 0.56 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.517 ( -2.722 6.878 0.260) 7.402 2.872 ( 3.210 -0.152 0.515) 3.255 3.078 ( 3.437 3.268 -10.343) 11.378 3.535 ( -2.321 -6.064 7.275) 9.751 4.305 ( -9.251 24.525 -0.135) 26.212 5.840 ( 4.941 -4.753 0.798) 6.902 8.255 ( 9.430 -2.814 -1.274) 9.923 8.780 ( -5.460 14.182 0.676) 15.212 9.496 ( 1.236 -6.541 -4.367) 7.961 9.615 ( -10.880 6.545 4.393) 13.435 10.490 ( -4.089 4.021 -1.300) 5.880 13.873 ( 5.765 -9.043 -0.062) 10.724======================= Grid point 59 (45/417) =======================q-point: (-0.38 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.487 ( -6.091 3.154 -1.583) 7.039 2.813 ( -6.502 0.148 -3.357) 7.319 3.242 ( 10.182 5.210 -4.850) 12.423 3.460 ( -1.071 -7.563 7.553) 10.742 4.299 ( -17.138 20.270 -0.519) 26.549 5.836 ( 1.167 -7.021 0.568) 7.140 8.250 ( -0.944 -10.615 -1.344) 10.741 8.815 ( -7.768 11.386 2.703) 14.046 9.458 ( 3.026 2.859 -4.036) 5.798 9.685 ( 4.210 9.242 5.996) 11.794 10.437 ( -5.327 3.148 -4.609) 7.716 13.916 ( 8.240 -7.766 2.531) 11.603======================= Grid point 60 (46/417) =======================q-point: (-0.31 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( -7.349 -0.282 -2.144) 7.660 2.660 ( -11.348 2.329 -2.166) 11.785 3.378 ( -1.100 -4.700 0.038) 4.827 3.477 ( 10.893 1.825 2.646) 11.358 4.116 ( -22.412 12.813 -0.557) 25.822 5.737 ( -5.690 -5.650 0.296) 8.024 8.089 ( -4.021 -8.840 0.720) 9.738 8.701 ( -16.150 7.003 1.807) 17.695 9.640 ( 10.441 5.015 -2.801) 11.917 9.918 ( 8.903 8.897 8.312) 15.084 10.368 ( 0.348 -0.744 -8.799) 8.837 14.017 ( 8.981 -4.372 3.608) 10.620======================= Grid point 61 (47/417) =======================q-point: (-0.25 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.223 ( -8.133 -1.046 -1.386) 8.316 2.454 ( -13.496 1.275 -0.738) 13.577 3.286 ( -5.277 -2.475 1.236) 5.958 3.699 ( 11.582 1.030 0.263) 11.631 3.785 ( -24.937 5.141 -0.363) 25.464 5.511 ( -15.442 -3.132 0.072) 15.756 7.971 ( -2.472 -3.642 1.405) 4.621 8.429 ( -20.417 2.934 0.899) 20.647 9.769 ( 0.603 1.810 -1.180) 2.243 10.250 ( 15.791 6.017 13.470) 21.610 10.442 ( 14.712 -2.017 -14.956) 21.076 14.159 ( 8.999 -1.106 2.704) 9.461======================= Grid point 62 (48/417) =======================q-point: (-0.19 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( -10.083 0.000 0.000) 10.083 2.218 ( -13.742 0.000 0.000) 13.742 3.146 ( -9.722 0.000 0.000) 9.722 3.366 ( -25.025 0.000 0.000) 25.025 3.896 ( 9.891 -0.000 -0.000) 9.891 5.129 ( -26.135 0.000 0.000) 26.135 7.895 ( -8.981 0.000 0.000) 8.981 8.112 ( -12.727 0.000 0.000) 12.727 9.768 ( 0.381 -0.000 -0.000) 0.381 10.554 ( 12.038 -0.000 -0.000) 12.038 10.789 ( 27.538 -0.000 -0.000) 27.538 14.313 ( 8.226 -0.000 -0.000) 8.226======================= Grid point 69 (49/417) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 0.000 12.072 8.185) 14.585 1.891 ( 0.000 9.063 2.317) 9.355 2.644 ( -0.000 15.170 -1.187) 15.217 2.895 ( 0.000 15.953 1.442) 16.018 3.894 ( -0.000 3.845 -9.302) 10.066 4.507 ( 0.000 32.122 4.140) 32.387 7.424 ( 0.000 16.538 0.994) 16.568 8.230 ( 0.000 -2.533 3.565) 4.374 9.866 ( -0.000 -5.476 -0.948) 5.558 10.421 ( -0.000 -10.961 -26.490) 28.668 11.604 ( 0.000 -32.508 15.539) 36.031 14.486 ( -0.000 1.096 -5.770) 5.874======================= Grid point 70 (50/417) =======================q-point: ( 0.31 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.015 ( 3.162 8.988 2.714) 9.907 2.017 ( 2.705 7.692 5.166) 9.652 2.889 ( 10.210 15.772 -0.860) 18.808 3.045 ( 0.669 11.423 -1.221) 11.507 3.876 ( -0.263 -1.031 -6.560) 6.645 4.885 ( 3.843 31.396 3.285) 31.800 7.659 ( 7.891 15.804 0.833) 17.685 8.197 ( -4.090 1.315 1.523) 4.558 9.777 ( -3.850 -2.987 -1.522) 5.105 10.221 ( 1.028 -13.686 -22.989) 26.774 11.315 ( -1.798 -31.226 15.005) 34.691 14.442 ( -4.376 0.430 -5.005) 6.662======================= Grid point 71 (51/417) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.159 ( 3.435 6.367 5.773) 9.255 2.195 ( 7.277 7.650 0.233) 10.561 3.119 ( -0.398 5.674 -5.139) 7.665 3.296 ( 16.434 15.985 -0.789) 22.940 3.836 ( -1.191 -1.084 -1.506) 2.205 5.262 ( 5.270 24.262 2.250) 24.930 7.972 ( 5.129 11.407 1.059) 12.551 8.170 ( 1.479 8.866 -0.406) 8.997 9.698 ( -0.807 -2.612 -3.078) 4.117 10.040 ( -0.561 -10.012 -16.000) 18.882 11.007 ( -3.286 -29.436 12.751) 32.247 14.307 ( -8.852 -0.726 -5.120) 10.252======================= Grid point 72 (52/417) =======================q-point: ( 0.44 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 4.664 5.016 5.243) 8.625 2.419 ( 9.032 8.004 -0.700) 12.088 3.108 ( -1.199 -0.316 -7.663) 7.763 3.698 ( 5.935 8.314 -2.434) 10.501 3.864 ( 8.228 8.962 4.392) 12.934 5.550 ( 3.933 14.689 1.454) 15.276 7.992 ( -4.170 5.501 -0.543) 6.924 8.501 ( 11.959 17.080 2.119) 20.958 9.638 ( 0.376 -8.415 -7.556) 11.315 9.937 ( -0.506 1.511 -7.049) 7.227 10.700 ( -3.303 -25.582 9.592) 27.520 14.099 ( -10.509 -2.511 -5.178) 11.982======================= Grid point 73 (53/417) =======================q-point: ( 0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.455 ( 5.034 4.598 4.362) 8.094 2.655 ( 8.386 8.129 -1.461) 11.771 3.038 ( -0.906 -3.633 -8.234) 9.045 3.683 ( -4.785 -1.040 3.345) 5.931 4.272 ( 12.403 20.190 0.908) 23.713 5.696 ( 1.489 4.049 0.985) 4.425 8.025 ( 1.385 5.935 1.018) 6.179 8.826 ( 4.832 14.516 2.029) 15.433 9.493 ( -1.612 -10.306 -8.236) 13.291 9.967 ( -3.416 7.505 -1.404) 8.365 10.487 ( 2.201 -15.519 5.202) 16.515 13.880 ( -7.559 -5.106 -4.259) 10.067======================= Grid point 74 (54/417) =======================q-point: ( 0.56 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.588 ( 2.532 4.744 2.347) 5.867 2.824 ( 2.847 2.774 -1.052) 4.111 3.003 ( 4.518 0.604 -8.200) 9.381 3.575 ( -5.997 -3.906 5.419) 8.977 4.636 ( 2.292 23.949 -0.059) 24.058 5.707 ( 1.792 -6.547 0.833) 6.838 8.140 ( 4.302 3.377 1.667) 5.717 8.962 ( -2.325 8.321 0.799) 8.677 9.371 ( 1.633 -8.085 -5.226) 9.764 9.910 ( -10.300 8.656 2.444) 13.675 10.501 ( 5.021 -1.733 -0.210) 5.315 13.730 ( -0.692 -7.295 -2.077) 7.617======================= Grid point 75 (55/417) =======================q-point: (-0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.604 ( -4.837 1.699 -1.364) 5.305 2.860 ( 1.818 0.569 0.613) 2.001 3.137 ( 6.909 6.522 -7.987) 12.412 3.443 ( -4.345 -7.161 7.350) 11.143 4.787 ( -12.847 22.295 -0.478) 25.736 5.676 ( 6.024 -11.376 0.720) 12.892 8.187 ( -0.632 -2.911 0.118) 2.981 8.989 ( -2.149 6.477 1.872) 7.076 9.350 ( 5.067 -5.188 -3.569) 8.083 9.876 ( -6.562 13.279 4.356) 15.439 10.519 ( -2.712 0.151 -3.420) 4.367 13.707 ( 6.491 -6.684 0.350) 9.323======================= Grid point 76 (56/417) =======================q-point: (-0.31 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( -7.211 -0.355 -1.386) 7.352 2.852 ( -6.428 2.727 -0.272) 6.987 3.290 ( 6.403 3.480 -8.274) 11.026 3.368 ( 2.285 -5.677 9.018) 10.898 4.632 ( -22.505 10.493 -0.313) 24.833 5.693 ( 4.295 -5.527 0.309) 7.007 8.091 ( -4.317 -4.067 -0.235) 5.936 8.974 ( -8.002 3.286 1.300) 8.747 9.456 ( 11.462 0.053 -1.564) 11.569 9.973 ( 1.249 11.153 4.975) 12.276 10.388 ( -7.608 -3.698 -5.015) 9.834 13.811 ( 10.216 -3.293 1.243) 10.805======================= Grid point 77 (57/417) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( -7.732 0.000 0.000) 7.732 2.691 ( -12.341 0.000 0.000) 12.341 3.323 ( -0.458 0.000 0.000) 0.458 3.504 ( 10.888 -0.000 -0.000) 10.888 4.257 ( -25.129 0.000 0.000) 25.129 5.671 ( -4.711 0.000 0.000) 4.711 7.999 ( -3.293 0.000 0.000) 3.293 8.776 ( -16.226 0.000 0.000) 16.226 9.681 ( 11.480 -0.000 -0.000) 11.480 10.149 ( 8.830 -0.000 -0.000) 8.830 10.227 ( -2.184 0.000 0.000) 2.184 13.983 ( 10.482 -0.000 -0.000) 10.482======================= Grid point 86 (58/417) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( 0.000 5.218 0.546) 5.246 2.111 ( 0.000 7.733 5.269) 9.357 2.936 ( -0.000 13.716 -0.737) 13.736 3.133 ( -0.000 7.616 -4.677) 8.938 3.855 ( -0.000 -0.244 -3.299) 3.308 5.171 ( 0.000 28.571 2.755) 28.703 7.718 ( -0.000 11.711 -1.079) 11.760 8.270 ( 0.000 4.338 0.036) 4.338 9.810 ( 0.000 0.451 0.738) 0.865 9.963 ( -0.000 -16.887 -21.490) 27.331 11.066 ( 0.000 -30.072 12.985) 32.756 14.479 ( -0.000 1.226 -3.201) 3.428======================= Grid point 87 (59/417) =======================q-point: ( 0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( 5.015 4.268 0.403) 6.598 2.205 ( 1.451 5.922 3.820) 7.195 3.154 ( -0.749 2.078 -7.885) 8.188 3.175 ( 11.811 12.616 -0.778) 17.299 3.852 ( -0.649 1.316 0.816) 1.679 5.456 ( 1.437 22.788 1.986) 22.920 7.917 ( 10.769 9.363 -1.176) 14.319 8.274 ( -4.018 5.483 -3.354) 7.580 9.684 ( -3.793 -8.823 -8.107) 12.568 9.886 ( 3.593 -2.469 -5.595) 7.093 10.792 ( -1.513 -28.417 9.988) 30.159 14.432 ( -5.963 1.052 -2.704) 6.632======================= Grid point 88 (60/417) =======================q-point: ( 0.44 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( 5.533 3.609 3.885) 7.663 2.326 ( 6.867 5.083 -0.575) 8.563 3.103 ( -1.795 -1.645 -8.619) 8.956 3.575 ( 18.200 12.047 -1.382) 21.870 3.859 ( -0.688 1.698 3.957) 4.361 5.677 ( 0.596 15.617 1.350) 15.687 8.125 ( -2.313 5.660 -2.102) 6.465 8.379 ( 15.336 9.520 -1.892) 18.150 9.534 ( -1.067 -8.637 -5.957) 10.546 9.919 ( 1.746 2.648 -2.925) 4.315 10.516 ( -1.980 -24.598 7.189) 25.704 14.274 ( -11.417 0.036 -3.001) 11.805======================= Grid point 89 (61/417) =======================q-point: ( 0.50 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.417 ( 4.914 3.088 4.150) 7.134 2.541 ( 11.129 4.820 -1.843) 12.267 3.014 ( -2.479 -3.056 -7.046) 8.070 3.778 ( -3.964 2.258 1.986) 4.975 4.116 ( 21.699 10.577 1.243) 24.172 5.783 ( -2.949 7.875 0.944) 8.462 8.107 ( -2.775 5.499 -0.604) 6.189 8.786 ( 15.393 9.848 0.394) 18.279 9.411 ( -2.374 -7.132 -4.904) 8.975 10.002 ( 5.943 3.639 -3.078) 7.618 10.296 ( -0.666 -16.863 5.698) 17.812 14.029 ( -13.772 -1.656 -3.160) 14.227======================= Grid point 90 (62/417) =======================q-point: ( 0.56 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.551 ( 5.682 2.433 2.912) 6.832 2.775 ( 9.522 4.785 -1.896) 10.824 2.920 ( -1.392 -3.227 -4.942) 6.064 3.689 ( -7.412 -0.539 2.885) 7.972 4.620 ( 20.643 12.941 0.106) 24.364 5.729 ( -7.876 -0.556 0.630) 7.921 8.152 ( 1.010 4.949 1.736) 5.341 9.033 ( 3.528 5.519 0.349) 6.559 9.276 ( -2.646 -6.645 -4.046) 8.218 10.123 ( -3.553 7.204 -0.318) 8.039 10.268 ( 14.697 -8.072 1.974) 16.884 13.770 ( -10.833 -3.355 -2.370) 11.586======================= Grid point 91 (63/417) =======================q-point: ( 0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.658 ( 1.602 1.267 0.530) 2.110 2.821 ( -0.021 -0.547 -0.603) 0.814 3.021 ( 10.178 2.537 -3.047) 10.923 3.538 ( -9.008 -1.997 2.570) 9.578 5.069 ( 11.795 17.423 -0.371) 21.043 5.514 ( -8.665 -11.485 0.584) 14.399 8.204 ( -0.792 1.509 1.210) 2.090 9.075 ( -1.963 3.838 0.968) 4.418 9.203 ( 3.261 -5.604 -2.909) 7.106 10.100 ( -5.542 6.032 2.124) 8.462 10.468 ( 8.491 -0.940 -1.320) 8.644 13.609 ( -2.228 -3.141 -0.753) 3.923======================= Grid point 92 (64/417) =======================q-point: (-0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.606 ( -6.001 0.000 0.000) 6.001 2.880 ( 3.948 -0.000 -0.000) 3.948 3.191 ( 7.659 -0.000 -0.000) 7.659 3.378 ( -6.768 0.000 0.000) 6.768 5.085 ( -21.606 0.000 0.000) 21.606 5.491 ( 14.193 -0.000 -0.000) 14.193 8.156 ( -4.590 0.000 0.000) 4.590 9.073 ( -1.980 0.000 0.000) 1.980 9.270 ( 8.303 -0.000 -0.000) 8.303 10.060 ( -3.320 0.000 0.000) 3.320 10.489 ( -4.533 0.000 0.000) 4.533 13.636 ( 6.837 -0.000 -0.000) 6.837======================= Grid point 103 (65/417) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( -0.000 3.024 -0.256) 3.035 2.255 ( 0.000 4.170 2.645) 4.938 3.136 ( -0.000 -1.466 -9.480) 9.592 3.174 ( -0.000 9.888 -0.462) 9.899 3.888 ( 0.000 3.062 2.676) 4.067 5.660 ( 0.000 18.274 1.285) 18.319 7.870 ( -0.000 4.855 -2.729) 5.570 8.346 ( -0.000 4.036 -7.875) 8.849 9.569 ( -0.000 -10.555 -6.836) 12.575 9.888 ( 0.000 5.516 2.114) 5.907 10.550 ( 0.000 -26.842 6.509) 27.620 14.496 ( -0.000 1.783 -1.368) 2.247======================= Grid point 104 (66/417) =======================q-point: ( 0.44 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 5.848 2.384 -0.091) 6.316 2.310 ( 1.693 2.908 1.587) 3.720 3.075 ( -0.843 -2.965 -8.319) 8.872 3.381 ( 13.143 8.006 -0.526) 15.398 3.918 ( -1.394 2.788 3.255) 4.507 5.823 ( 0.077 12.704 0.702) 12.723 8.032 ( 13.815 3.721 -1.801) 14.421 8.316 ( -1.974 1.936 -9.533) 9.926 9.476 ( -1.199 -3.859 -0.143) 4.044 9.942 ( -1.034 3.684 1.109) 3.984 10.313 ( 0.501 -21.928 3.554) 22.220 14.446 ( -7.291 1.405 -1.167) 7.516======================= Grid point 105 (67/417) =======================q-point: ( 0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.361 ( 8.225 1.783 2.606) 8.810 2.393 ( 5.798 2.289 -1.437) 6.397 3.002 ( -1.564 -2.605 -5.589) 6.362 3.762 ( 19.677 7.217 -1.298) 20.999 3.913 ( -1.067 0.609 3.544) 3.751 5.914 ( -1.901 7.340 0.545) 7.602 8.191 ( -2.039 2.724 -3.105) 4.607 8.488 ( 23.441 3.101 -3.292) 23.873 9.425 ( -3.777 0.629 1.484) 4.107 9.892 ( -0.200 -9.296 -0.837) 9.336 10.205 ( 1.781 -5.311 2.152) 6.000 14.265 ( -13.526 0.373 -1.374) 13.600======================= Grid point 106 (68/417) =======================q-point: ( 0.56 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.479 ( 5.145 1.046 1.716) 5.523 2.594 ( 12.558 1.583 -1.140) 12.709 2.932 ( -2.684 -1.488 -2.604) 4.025 3.822 ( -6.397 0.853 1.116) 6.550 4.268 ( 26.471 3.758 0.205) 26.737 5.890 ( -7.050 2.439 0.349) 7.469 8.184 ( -0.061 2.174 -0.500) 2.232 8.899 ( 16.869 2.110 -0.895) 17.024 9.336 ( -7.761 0.316 0.111) 7.769 9.890 ( 13.961 -7.648 -0.815) 15.939 10.216 ( -0.338 1.504 1.187) 1.946 13.993 ( -16.105 -0.554 -1.089) 16.151======================= Grid point 107 (69/417) =======================q-point: (-0.38 -0.62 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.586 ( 5.871 -0.000 -0.000) 5.871 2.825 ( 12.511 -0.000 -0.000) 12.511 2.862 ( -3.703 0.000 0.000) 3.703 3.693 ( -8.626 0.000 0.000) 8.626 4.758 ( 25.982 -0.000 -0.000) 25.982 5.718 ( -13.507 0.000 0.000) 13.507 8.214 ( 1.210 -0.000 -0.000) 1.210 9.084 ( 5.310 -0.000 -0.000) 5.310 9.193 ( -7.058 0.000 0.000) 7.058 10.192 ( 20.390 -0.000 -0.000) 20.390 10.203 ( -2.815 0.000 0.000) 2.815 13.726 ( -12.357 0.000 0.000) 12.357======================= Grid point 121 (70/417) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.164 ( -0.000 1.400 -0.335) 1.440 2.321 ( 0.000 1.558 0.603) 1.671 3.027 ( -0.000 -2.941 -6.252) 6.909 3.324 ( -0.000 5.117 -0.227) 5.122 3.968 ( 0.000 2.482 2.449) 3.487 5.929 ( 0.000 8.152 0.060) 8.153 7.906 ( -0.000 1.023 -2.187) 2.414 8.311 ( -0.000 -0.629 -9.754) 9.774 9.497 ( 0.000 3.390 4.699) 5.795 10.017 ( 0.000 4.932 1.700) 5.217 10.082 ( 0.000 -21.081 0.113) 21.081 14.526 ( -0.000 1.422 -0.397) 1.476======================= Grid point 122 (71/417) =======================q-point: ( 0.50 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.231 ( 6.362 0.768 -0.091) 6.409 2.351 ( 2.050 0.775 0.228) 2.203 2.983 ( -0.491 -1.637 -3.141) 3.576 3.488 ( 13.870 2.741 -0.195) 14.140 3.976 ( -2.082 1.138 1.388) 2.749 5.989 ( -0.185 3.850 0.013) 3.855 8.072 ( 17.552 1.212 -0.366) 17.598 8.259 ( -1.468 -0.991 -5.723) 5.990 9.549 ( -3.205 8.244 5.050) 10.185 9.821 ( -4.862 -14.542 -2.304) 15.506 10.121 ( 4.881 0.342 0.757) 4.951 14.464 ( -8.063 0.665 -0.301) 8.096======================= Grid point 123 (72/417) =======================q-point: (-0.44 -0.56 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.390 ( 10.875 -0.000 -0.000) 10.875 2.408 ( 3.829 -0.000 -0.000) 3.829 2.955 ( -1.346 0.000 0.000) 1.346 3.837 ( 23.406 -0.000 -0.000) 23.406 3.926 ( -4.444 0.000 0.000) 4.444 5.989 ( -2.531 0.000 0.000) 2.531 8.206 ( -1.761 0.000 0.000) 1.761 8.499 ( 26.894 -0.000 -0.000) 26.894 9.510 ( -9.614 0.000 0.000) 9.614 9.692 ( 3.288 -0.000 -0.000) 3.288 10.198 ( 3.139 -0.000 -0.000) 3.139 14.266 ( -14.349 0.000 0.000) 14.349======================= Grid point 140 (73/417) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 586Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 6.008 ( 0.000 0.000 0.000) 0.000 7.907 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 9.743 ( -0.000 -0.000 -0.000) 0.000 10.076 ( 0.000 0.000 0.000) 0.000 14.540 ( 0.000 0.000 0.000) 0.000======================= Grid point 280 (74/417) =======================q-point: ( 0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 408Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.217 ( 0.000 -0.000 22.416) 22.416 0.217 ( 0.000 -0.000 22.416) 22.416 0.449 ( 0.000 -0.000 46.547) 46.547 2.045 ( -0.000 0.000 -1.465) 1.465 2.045 ( -0.000 0.000 -1.465) 1.465 4.983 ( -0.000 0.000 -4.876) 4.876 6.543 ( 0.000 -0.000 1.183) 1.183 6.543 ( 0.000 -0.000 1.183) 1.183 10.357 ( -0.000 0.000 -0.639) 0.639 10.357 ( -0.000 0.000 -0.639) 0.639 13.504 ( 0.000 -0.000 0.507) 0.507 13.773 ( -0.000 0.000 -0.242) 0.242======================= Grid point 281 (75/417) =======================q-point: ( 0.12 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.611 ( 21.568 12.452 7.591) 26.036 0.642 ( 13.740 7.933 22.889) 27.850 1.176 ( 38.917 22.469 16.565) 47.894 2.070 ( 2.767 1.597 -2.143) 3.847 2.207 ( 13.517 7.804 -1.877) 15.720 4.247 ( -6.744 -3.893 7.017) 10.482 6.605 ( 4.944 2.854 1.452) 5.890 8.781 ( 23.231 13.412 -43.175) 50.829 10.261 ( 4.299 2.482 -21.391) 21.960 10.315 ( -3.393 -1.959 -0.564) 3.958 13.321 ( -15.319 -8.845 5.344) 18.479 14.262 ( 15.992 9.233 -22.214) 28.887======================= Grid point 282 (76/417) =======================q-point: ( 0.19 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( 15.106 8.722 14.299) 22.555 1.130 ( 20.493 11.832 4.058) 24.009 2.022 ( 27.306 15.765 9.919) 33.054 2.164 ( 6.080 3.510 -2.665) 7.509 2.710 ( 30.843 17.807 -0.922) 35.626 4.170 ( -2.108 -1.217 -2.163) 3.257 6.779 ( 9.464 5.464 1.275) 11.002 8.677 ( -15.159 -8.752 -0.006) 17.504 10.203 ( -5.838 -3.371 -0.400) 6.753 10.409 ( 11.949 6.899 -30.803) 33.753 12.912 ( -21.040 -12.148 11.859) 27.035 14.418 ( 3.740 2.159 -14.439) 15.071======================= Grid point 283 (77/417) =======================q-point: ( 0.25 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( 15.453 8.922 8.235) 19.652 1.565 ( 15.338 8.855 2.714) 17.918 2.345 ( 10.304 5.949 -2.671) 12.195 2.546 ( 17.372 10.030 6.085) 20.962 3.542 ( 37.018 21.373 -0.968) 42.756 4.114 ( -1.599 -0.923 -3.820) 4.243 7.046 ( 12.843 7.415 0.531) 14.839 8.294 ( -15.618 -9.017 0.000) 18.034 10.055 ( -6.400 -3.695 -0.043) 7.391 10.524 ( 4.567 2.637 -24.744) 25.300 12.440 ( -23.267 -13.433 18.289) 32.500 14.380 ( -2.355 -1.359 -13.783) 14.049======================= Grid point 284 (78/417) =======================q-point: ( 0.31 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( 15.170 8.759 5.077) 18.238 1.857 ( 9.376 5.413 1.414) 10.919 2.620 ( 13.238 7.643 -1.870) 15.399 2.913 ( 12.948 7.475 3.489) 15.353 3.986 ( -1.453 -0.839 -9.488) 9.635 4.424 ( 31.009 17.903 4.171) 36.048 7.364 ( 13.874 8.010 -0.661) 16.033 8.006 ( -7.760 -4.480 -4.138) 9.870 9.922 ( -4.720 -2.725 0.586) 5.482 10.450 ( -4.525 -2.612 -20.003) 20.674 11.937 ( -25.706 -14.841 20.975) 36.346 14.260 ( -3.358 -1.939 -12.787) 13.362======================= Grid point 285 (79/417) =======================q-point: ( 0.38 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 5.794 3.345 0.417) 6.703 2.172 ( 14.283 8.246 4.063) 16.986 2.920 ( 12.263 7.080 -1.023) 14.197 3.171 ( 8.630 4.982 -1.057) 10.021 3.877 ( -5.037 -2.908 -4.618) 7.427 5.097 ( 24.714 14.268 1.800) 28.594 7.665 ( 11.809 6.818 -1.922) 13.770 7.930 ( 2.983 1.722 -6.790) 7.614 9.852 ( -1.383 -0.798 1.390) 2.117 10.216 ( -9.713 -5.608 -15.379) 19.034 11.353 ( -29.831 -17.223 17.389) 38.586 14.175 ( -0.645 -0.372 -8.879) 8.910======================= Grid point 286 (80/417) =======================q-point: ( 0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( 3.625 2.093 -0.099) 4.187 2.505 ( 13.114 7.572 4.092) 15.686 3.167 ( 8.896 5.136 -0.514) 10.285 3.293 ( 2.646 1.528 -9.493) 9.973 3.748 ( -4.979 -2.874 3.216) 6.587 5.580 ( 16.354 9.442 0.748) 18.899 7.887 ( 7.743 4.470 -2.637) 9.321 8.096 ( 12.886 7.439 -7.665) 16.737 9.863 ( 1.517 0.876 1.958) 2.627 9.940 ( -9.801 -5.659 -9.539) 14.801 10.666 ( -32.056 -18.508 10.776) 38.552 14.172 ( 1.786 1.031 -3.954) 4.460======================= Grid point 287 (81/417) =======================q-point: ( 0.50 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( 1.817 1.049 -0.322) 2.123 2.809 ( 11.585 6.689 4.416) 14.088 3.219 ( -4.742 -2.738 -14.806) 15.786 3.325 ( 4.625 2.670 -0.229) 5.345 3.691 ( -1.854 -1.071 7.610) 7.906 5.870 ( 8.387 4.842 0.306) 9.690 8.013 ( 3.857 2.227 -2.388) 5.053 8.459 ( 19.732 11.392 -8.234) 24.227 9.690 ( -12.914 -7.456 0.004) 14.912 9.913 ( 1.696 0.979 1.902) 2.730 10.003 ( -22.396 -12.930 2.796) 26.011 14.214 ( 1.976 1.141 -0.109) 2.284======================= Grid point 288 (82/417) =======================q-point: (-0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.225 ( 0.050 0.029 -0.382) 0.387 2.930 ( -6.547 -3.780 -6.229) 9.795 3.173 ( 9.518 5.495 -2.342) 11.237 3.379 ( 0.081 0.047 -0.038) 0.101 3.667 ( -2.692 -1.554 5.208) 6.065 5.971 ( 0.050 0.029 0.388) 0.393 8.060 ( 0.758 0.438 -1.334) 1.596 8.877 ( 9.793 5.654 -6.964) 13.281 9.283 ( -9.702 -5.602 4.063) 11.917 9.813 ( 1.478 0.853 0.146) 1.712 9.934 ( -0.558 -0.322 1.249) 1.406 14.250 ( 0.724 0.418 2.652) 2.781======================= Grid point 289 (83/417) =======================q-point: (-0.38 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( -1.749 -1.010 -0.345) 2.049 2.685 ( -10.560 -6.097 -8.141) 14.662 3.328 ( -4.430 -2.558 0.146) 5.118 3.443 ( 11.519 6.651 3.211) 13.684 3.585 ( -5.252 -3.032 1.451) 6.235 5.874 ( -8.488 -4.900 0.681) 9.824 8.038 ( -2.613 -1.509 0.070) 3.018 8.599 ( -18.433 -10.642 5.808) 22.062 9.627 ( 23.988 13.850 -7.134) 28.603 9.896 ( -2.633 -1.520 0.240) 3.050 9.975 ( 12.316 7.111 0.720) 14.240 14.267 ( -0.182 -0.105 5.090) 5.095======================= Grid point 290 (84/417) =======================q-point: (-0.31 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( -3.666 -2.116 -0.240) 4.240 2.403 ( -11.672 -6.739 -6.089) 14.790 3.176 ( -8.596 -4.963 0.385) 9.934 3.422 ( -8.855 -5.113 2.709) 10.578 3.715 ( 10.648 6.147 0.562) 12.308 5.579 ( -16.941 -9.781 0.758) 19.576 7.927 ( -7.284 -4.206 1.271) 8.507 8.252 ( -12.640 -7.298 8.003) 16.646 9.835 ( -1.913 -1.104 -0.766) 2.338 10.113 ( 17.399 10.045 6.960) 21.262 10.398 ( 24.635 14.223 -15.329) 32.314 14.288 ( 0.641 0.370 7.455) 7.492======================= Grid point 291 (85/417) =======================q-point: (-0.25 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( -6.039 -3.486 -0.050) 6.973 2.098 ( -13.251 -7.651 -3.360) 15.666 2.937 ( -11.791 -6.808 0.696) 13.633 3.186 ( -11.839 -6.835 0.618) 13.684 3.936 ( 7.842 4.528 1.042) 9.115 5.084 ( -25.731 -14.856 0.558) 29.716 7.702 ( -12.260 -7.078 1.724) 14.261 8.075 ( -4.437 -2.562 7.783) 9.318 9.825 ( 1.613 0.932 -1.309) 2.277 10.507 ( 13.065 7.543 14.297) 20.784 10.949 ( 27.329 15.778 -23.530) 39.364 14.355 ( 2.817 1.626 8.757) 9.341======================= Grid point 292 (86/417) =======================q-point: (-0.19 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( -15.382 -8.881 -0.449) 17.768 1.847 ( -9.827 -5.673 0.409) 11.354 2.648 ( -12.680 -7.321 0.930) 14.671 2.872 ( -15.068 -8.700 -0.687) 17.413 4.080 ( 3.907 2.256 -0.966) 4.613 4.391 ( -33.102 -19.111 1.754) 38.263 7.385 ( -14.772 -8.529 1.419) 17.116 8.098 ( 4.561 2.634 5.109) 7.338 9.903 ( 5.225 3.017 -1.304) 6.173 10.779 ( 6.182 3.569 11.038) 13.145 11.529 ( 28.247 16.308 -18.079) 37.292 14.464 ( 3.875 2.237 7.439) 8.681======================= Grid point 293 (87/417) =======================q-point: (-0.12 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( -17.622 -10.174 2.427) 20.492 1.554 ( -15.745 -9.090 1.569) 18.249 2.379 ( -10.083 -5.821 0.697) 11.663 2.472 ( -19.256 -11.118 -1.246) 22.270 3.530 ( -37.314 -21.543 -1.841) 43.126 4.166 ( 1.463 0.845 1.303) 2.134 7.050 ( -13.669 -7.892 0.892) 15.808 8.309 ( 12.197 7.042 1.312) 14.145 10.045 ( 6.871 3.967 -1.070) 8.006 10.860 ( -1.441 -0.832 6.335) 6.550 12.147 ( 28.019 16.177 -8.862) 33.546 14.555 ( 1.773 1.024 3.295) 3.879======================= Grid point 294 (88/417) =======================q-point: (-0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( -19.218 -11.095 6.632) 23.160 1.127 ( -21.159 -12.216 3.667) 24.705 1.917 ( -29.899 -17.262 -0.463) 34.528 2.191 ( -6.182 -3.569 0.020) 7.139 2.708 ( -29.735 -17.168 -1.147) 34.354 4.187 ( 0.331 0.191 -0.118) 0.400 6.773 ( -9.944 -5.741 0.632) 11.500 8.651 ( 16.549 9.555 -2.755) 19.307 10.199 ( 6.191 3.575 -0.850) 7.200 10.759 ( -8.148 -4.704 0.594) 9.427 12.759 ( 25.291 14.602 -1.531) 29.243 14.546 ( -2.801 -1.617 -3.187) 4.541======================= Grid point 297 (89/417) =======================q-point: ( 0.12 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.717 ( 0.000 23.942 12.719) 27.110 0.749 ( 0.000 18.562 21.628) 28.501 1.174 ( 0.000 40.139 19.532) 44.639 2.070 ( -0.000 3.519 -2.253) 4.178 2.190 ( -0.000 15.230 -2.858) 15.496 4.267 ( 0.000 -10.551 6.659) 12.477 6.611 ( 0.000 5.849 1.823) 6.126 8.568 ( -0.000 36.728 -46.618) 59.348 10.304 ( -0.000 -4.345 -1.243) 4.519 10.323 ( -0.000 9.384 -16.933) 19.360 13.319 ( 0.000 -19.511 5.149) 20.179 14.171 ( -0.000 19.512 -21.158) 28.782======================= Grid point 298 (90/417) =======================q-point: ( 0.19 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( 5.777 16.302 18.414) 25.263 1.083 ( 8.405 21.807 9.179) 25.108 1.839 ( 20.343 28.669 12.296) 37.241 2.132 ( 2.827 6.143 -2.812) 7.324 2.511 ( 15.490 24.898 -2.393) 29.420 4.182 ( -1.954 -3.121 -1.350) 3.922 6.734 ( 4.719 8.776 1.964) 10.156 8.698 ( 0.803 -7.509 -7.726) 10.803 10.169 ( -4.337 -3.681 -7.913) 9.745 10.390 ( -0.002 14.120 -21.844) 26.010 13.032 ( -9.080 -23.057 9.447) 26.520 14.334 ( 5.087 8.459 -16.690) 19.390======================= Grid point 299 (91/417) =======================q-point: ( 0.25 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( 9.177 13.468 13.185) 20.963 1.481 ( 10.505 17.115 5.081) 20.715 2.282 ( 6.195 10.330 -2.959) 12.403 2.399 ( 15.617 15.071 7.341) 22.911 3.208 ( 29.075 30.280 -1.148) 41.995 4.120 ( -1.667 -0.955 -4.471) 4.867 6.961 ( 8.546 11.664 1.690) 14.558 8.448 ( -12.515 -12.975 1.558) 18.094 10.044 ( -1.518 -7.868 -4.116) 9.008 10.457 ( 0.761 10.124 -24.347) 26.379 12.634 ( -13.529 -23.166 15.241) 30.854 14.370 ( -1.139 2.311 -14.695) 14.919======================= Grid point 300 (92/417) =======================q-point: ( 0.31 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 11.229 11.814 7.921) 18.122 1.797 ( 7.645 11.082 3.062) 13.807 2.537 ( 9.019 14.550 -2.247) 17.265 2.790 ( 12.673 10.289 4.780) 17.009 3.900 ( 12.330 8.920 -11.173) 18.880 4.187 ( 15.817 15.967 4.667) 22.955 7.266 ( 10.423 14.030 0.909) 17.502 8.113 ( -11.844 -7.727 -1.586) 14.230 9.931 ( -1.664 -6.836 -1.213) 7.140 10.427 ( -2.595 0.620 -21.321) 21.487 12.192 ( -17.067 -22.592 19.059) 34.131 14.275 ( -4.593 -0.227 -13.753) 14.501======================= Grid point 301 (93/417) =======================q-point: ( 0.38 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( 4.564 7.747 1.501) 9.116 2.041 ( 12.359 10.150 4.943) 16.739 2.847 ( 9.026 14.997 -1.409) 17.560 3.081 ( 8.913 7.760 1.262) 11.885 3.893 ( -2.294 -2.532 -7.665) 8.392 4.839 ( 24.661 19.996 2.968) 31.887 7.592 ( 9.237 14.946 -0.280) 17.572 7.916 ( -3.435 -1.214 -4.810) 6.034 9.853 ( -0.675 -3.668 0.448) 3.756 10.248 ( -6.948 -5.792 -17.404) 19.614 11.683 ( -22.691 -21.906 17.454) 36.048 14.159 ( -2.548 -0.971 -10.554) 10.901======================= Grid point 302 (94/417) =======================q-point: ( 0.44 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.136 ( 2.292 6.504 0.437) 6.910 2.368 ( 12.640 8.429 3.788) 15.658 3.113 ( 6.720 9.481 -2.522) 11.892 3.264 ( 3.194 8.767 -4.249) 10.253 3.796 ( -3.363 -3.055 -0.308) 4.554 5.393 ( 18.168 13.376 1.580) 22.616 7.867 ( 5.989 13.365 -1.581) 14.730 7.950 ( 6.629 5.397 -6.187) 10.552 9.837 ( 1.073 -1.585 1.817) 2.639 9.992 ( -7.941 -7.615 -12.488) 16.643 11.065 ( -28.762 -19.138 11.457) 36.397 14.115 ( 1.873 -1.599 -5.423) 5.956======================= Grid point 303 (95/417) =======================q-point: ( 0.50 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.220 ( 0.330 5.726 -0.125) 5.737 2.676 ( 12.350 6.956 3.350) 14.565 3.186 ( -0.360 -2.181 -12.204) 12.403 3.388 ( -0.655 14.115 -1.674) 14.229 3.735 ( -2.034 -1.548 6.697) 7.168 5.758 ( 11.311 7.246 0.824) 13.459 8.061 ( 0.228 14.271 -2.017) 14.414 8.193 ( 16.647 6.405 -7.071) 19.187 9.766 ( -6.057 -6.524 -5.652) 10.545 9.830 ( -0.512 -6.888 2.716) 7.422 10.425 ( -27.859 -7.860 4.797) 29.341 14.143 ( 4.478 -2.717 -0.890) 5.313======================= Grid point 304 (96/417) =======================q-point: ( 0.56 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( -1.552 4.805 -0.417) 5.067 2.931 ( 4.726 1.114 1.229) 5.009 3.073 ( 1.247 0.251 -12.707) 12.771 3.481 ( -3.722 11.226 0.284) 11.831 3.713 ( -2.423 -0.760 6.754) 7.216 5.943 ( 4.276 1.788 0.568) 4.669 8.156 ( -4.126 13.019 -2.024) 13.806 8.576 ( 21.366 4.131 -7.998) 23.185 9.486 ( -17.327 -12.574 5.660) 22.144 9.714 ( 1.935 -6.590 -1.193) 6.972 10.127 ( -10.366 9.524 0.488) 14.086 14.194 ( 4.508 -3.873 2.262) 6.360======================= Grid point 305 (97/417) =======================q-point: (-0.38 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( -3.317 3.517 -0.536) 4.864 2.769 ( -9.070 -5.626 -8.838) 13.857 3.290 ( 12.787 6.127 -2.213) 14.351 3.479 ( -7.827 7.937 1.179) 11.209 3.657 ( -5.029 -1.647 5.248) 7.452 5.944 ( -3.659 -2.992 0.705) 4.779 8.170 ( -7.252 10.311 -1.169) 12.660 8.716 ( -5.119 -14.374 -0.070) 15.258 9.345 ( 12.435 7.912 -2.775) 14.997 9.769 ( 7.631 -1.683 2.460) 8.193 10.099 ( -5.387 10.925 -0.987) 12.221 14.233 ( 3.454 -4.284 4.577) 7.158======================= Grid point 306 (98/417) =======================q-point: (-0.31 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( -4.925 1.821 -0.545) 5.279 2.515 ( -10.618 -5.314 -6.998) 13.782 3.373 ( -11.921 4.927 0.977) 12.936 3.510 ( -3.003 -0.331 -6.003) 6.720 3.588 ( 7.195 2.545 8.131) 11.151 5.758 ( -12.245 -6.816 0.925) 14.044 8.097 ( -10.500 5.750 0.159) 11.973 8.399 ( -11.874 -11.523 5.991) 17.597 9.718 ( 14.664 0.077 -4.379) 15.304 9.938 ( 11.772 7.504 2.875) 14.253 10.215 ( 7.967 13.111 -6.073) 16.501 14.266 ( 3.096 -3.289 6.441) 7.867======================= Grid point 307 (99/417) =======================q-point: (-0.25 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( -6.567 -0.363 -0.518) 6.597 2.247 ( -12.249 -4.650 -3.995) 13.697 3.169 ( -15.955 2.725 1.232) 16.233 3.323 ( -10.581 -4.802 -0.295) 11.623 3.822 ( 10.205 3.762 0.833) 10.909 5.381 ( -21.593 -10.011 0.949) 23.819 7.914 ( -14.501 0.866 1.306) 14.585 8.160 ( -7.230 -5.981 7.104) 11.769 9.784 ( 1.963 -2.009 -1.518) 3.192 10.359 ( 17.783 7.922 12.196) 22.972 10.573 ( 21.854 13.087 -20.952) 32.983 14.327 ( 4.032 -1.095 7.319) 8.428======================= Grid point 308 (100/417) =======================q-point: (-0.19 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( -12.731 -5.565 -0.963) 13.927 1.992 ( -10.906 -1.123 0.169) 10.965 2.888 ( -18.036 0.654 1.018) 18.076 3.053 ( -13.850 -6.047 -0.241) 15.114 4.006 ( 6.996 2.393 -0.887) 7.447 4.806 ( -31.188 -12.566 1.226) 33.646 7.621 ( -17.954 -2.570 1.496) 18.199 8.083 ( 0.352 -1.044 5.719) 5.824 9.820 ( 4.515 -0.344 -1.554) 4.787 10.697 ( 10.467 3.461 7.200) 13.167 11.105 ( 29.653 12.600 -15.415) 35.717 14.429 ( 4.885 0.775 6.008) 7.782======================= Grid point 309 (101/417) =======================q-point: (-0.12 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( -17.267 -5.693 2.270) 18.322 1.769 ( -13.921 -2.567 1.249) 14.211 2.580 ( -16.579 -0.675 0.493) 16.600 2.715 ( -17.804 -6.008 -0.046) 18.790 4.003 ( -28.133 -7.693 -6.671) 29.919 4.165 ( -7.430 -4.091 5.623) 10.176 7.271 ( -17.932 -3.863 1.220) 18.384 8.184 ( 8.348 2.796 2.780) 9.232 9.924 ( 7.718 0.054 -1.327) 7.832 10.850 ( 3.868 0.087 -0.683) 3.929 11.733 ( 31.338 11.200 -4.598) 33.595 14.530 ( 3.569 0.835 2.057) 4.203======================= Grid point 310 (102/417) =======================q-point: (-0.06 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( -20.044 -5.360 6.105) 21.628 1.446 ( -20.409 -3.178 2.786) 20.842 2.300 ( -24.196 -4.492 1.379) 24.648 2.322 ( -11.754 -0.955 -0.492) 11.803 3.205 ( -40.947 -8.318 -1.205) 41.801 4.174 ( 1.201 -0.083 -0.803) 1.447 6.949 ( -14.767 -2.733 0.979) 15.049 8.434 ( 15.114 4.007 0.271) 15.638 10.068 ( 8.873 -0.200 -1.160) 8.951 10.828 ( -3.870 -2.546 -6.948) 8.351 12.376 ( 30.479 8.320 2.616) 31.702 14.561 ( -0.434 -0.357 -3.815) 3.857======================= Grid point 314 (103/417) =======================q-point: ( 0.19 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 0.000 16.287 18.868) 24.925 1.254 ( 0.000 21.462 8.916) 23.241 2.014 ( 0.000 29.989 10.493) 31.772 2.163 ( -0.000 7.517 -3.001) 8.094 2.670 ( -0.000 34.957 -2.573) 35.052 4.161 ( -0.000 -2.623 -3.069) 4.037 6.801 ( 0.000 11.555 2.188) 11.760 8.584 ( -0.000 -8.332 -3.626) 9.087 10.174 ( -0.000 -7.368 -1.621) 7.544 10.449 ( -0.000 13.583 -27.397) 30.579 12.864 ( 0.000 -28.984 10.301) 30.760 14.336 ( -0.000 9.773 -15.609) 18.417======================= Grid point 315 (104/417) =======================q-point: ( 0.25 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 2.371 15.266 14.952) 21.500 1.543 ( 5.717 17.420 7.110) 19.664 2.288 ( 4.927 11.440 -2.993) 12.811 2.384 ( 8.111 19.827 6.960) 22.524 3.172 ( 13.698 38.274 -2.114) 40.706 4.123 ( -0.895 -0.071 -4.537) 4.625 6.982 ( 4.912 14.272 2.291) 15.267 8.455 ( -3.582 -12.745 2.259) 13.430 10.022 ( -5.640 -6.661 -4.275) 9.719 10.477 ( -0.159 7.369 -24.938) 26.004 12.559 ( -4.441 -30.087 13.782) 33.390 14.375 ( -0.302 5.379 -14.017) 15.016======================= Grid point 316 (105/417) =======================q-point: ( 0.31 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( 5.551 13.226 10.386) 17.709 1.818 ( 5.800 12.422 4.767) 14.514 2.546 ( 8.431 16.961 -2.163) 19.064 2.725 ( 9.509 13.400 4.585) 17.059 3.760 ( 13.535 18.936 -9.015) 24.960 4.173 ( 5.902 14.257 1.685) 15.522 7.269 ( 8.414 17.178 2.388) 19.276 8.220 ( -9.710 -9.443 0.854) 13.572 9.872 ( -1.897 -6.407 -3.868) 7.721 10.416 ( -2.695 -0.194 -21.432) 21.601 12.199 ( -7.852 -29.398 16.821) 34.769 14.323 ( -4.590 1.848 -13.023) 13.931======================= Grid point 317 (106/417) =======================q-point: ( 0.38 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 8.116 10.846 7.074) 15.282 2.027 ( 4.332 9.858 2.554) 11.067 2.864 ( 7.384 16.257 -1.270) 17.900 3.026 ( 9.615 12.295 1.677) 15.698 3.864 ( 0.080 -1.024 -9.359) 9.416 4.687 ( 19.311 25.438 3.600) 32.140 7.616 ( 8.581 18.789 2.090) 20.761 7.989 ( -7.778 -2.307 -2.332) 8.441 9.802 ( 1.093 -4.509 -1.934) 5.027 10.243 ( -5.778 -6.172 -18.097) 19.975 11.790 ( -12.234 -27.921 16.586) 34.704 14.192 ( -5.944 -0.262 -11.224) 12.704======================= Grid point 318 (107/417) =======================q-point: ( 0.44 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( 2.539 8.260 2.259) 8.932 2.272 ( 9.888 9.774 3.822) 14.419 3.074 ( 4.831 5.359 -3.398) 7.975 3.328 ( 5.916 18.928 -1.656) 19.900 3.808 ( -1.629 -1.868 -2.348) 3.415 5.241 ( 17.030 17.426 2.160) 24.461 7.848 ( 2.331 3.997 -2.159) 5.105 8.011 ( 3.360 19.053 -0.440) 19.352 9.798 ( 2.158 -1.833 -0.495) 2.874 9.997 ( -7.135 -8.456 -13.828) 17.709 11.304 ( -18.348 -24.128 12.119) 32.644 14.070 ( -2.308 -2.383 -7.510) 8.210======================= Grid point 319 (108/417) =======================q-point: ( 0.50 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.293 ( 0.331 8.293 0.941) 8.353 2.555 ( 10.858 7.847 2.774) 13.681 3.125 ( 1.155 -1.493 -9.377) 9.566 3.559 ( -0.289 15.875 -2.173) 16.026 3.787 ( -1.275 3.803 4.953) 6.374 5.636 ( 12.129 9.155 1.413) 15.262 7.980 ( 10.213 4.298 -3.542) 11.633 8.259 ( -0.316 21.425 -0.501) 21.434 9.749 ( -3.722 -8.582 -9.322) 13.207 9.820 ( -2.124 -1.994 2.023) 3.547 10.772 ( -21.336 -14.284 5.557) 26.271 14.023 ( 2.974 -4.972 -3.034) 6.540======================= Grid point 320 (109/417) =======================q-point: ( 0.56 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.362 ( -2.035 7.894 0.071) 8.152 2.823 ( 10.519 5.355 2.391) 12.043 3.041 ( -2.730 -2.829 -13.389) 13.954 3.625 ( -1.542 2.254 4.228) 5.033 3.859 ( -5.340 15.955 2.399) 16.995 5.865 ( 7.094 2.334 1.025) 7.537 8.249 ( 16.249 2.768 -4.773) 17.160 8.416 ( -5.198 20.114 -0.590) 20.784 9.615 ( 0.208 -5.647 -3.646) 6.725 9.659 ( -12.215 -8.932 4.057) 15.667 10.408 ( -12.870 2.707 -0.133) 13.152 14.043 ( 6.220 -7.100 0.662) 9.462======================= Grid point 321 (110/417) =======================q-point: (-0.38 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.379 ( -4.278 6.363 -0.545) 7.686 2.837 ( -6.917 -3.736 -7.546) 10.897 3.119 ( 11.778 5.606 -4.421) 13.773 3.607 ( -1.791 -3.331 7.252) 8.179 3.891 ( -11.375 17.670 0.097) 21.015 5.940 ( 1.291 -2.694 0.875) 3.113 8.406 ( -1.838 2.570 -5.353) 6.215 8.561 ( 4.075 7.367 1.054) 8.485 9.381 ( -8.565 0.066 1.961) 8.787 9.636 ( 6.454 -1.147 1.283) 6.680 10.305 ( -7.181 7.932 -2.436) 10.974 14.091 ( 6.938 -7.780 3.258) 10.921======================= Grid point 322 (111/417) =======================q-point: (-0.31 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.336 ( -5.934 3.460 -1.003) 6.942 2.634 ( -9.853 -1.805 -6.503) 11.943 3.361 ( 10.696 3.261 -7.250) 13.326 3.553 ( -1.754 -4.057 10.478) 11.372 3.812 ( -16.420 14.825 -0.667) 22.133 5.861 ( -5.903 -5.656 0.878) 8.222 8.296 ( -6.129 -6.116 -1.313) 8.758 8.540 ( -11.888 4.613 3.347) 13.184 9.487 ( 11.963 7.895 -3.609) 14.780 9.811 ( 10.428 3.880 4.462) 11.988 10.273 ( -2.956 6.996 -5.266) 9.242 14.149 ( 6.658 -6.582 4.837) 10.538======================= Grid point 323 (112/417) =======================q-point: (-0.25 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.236 ( -7.023 0.017 -1.205) 7.126 2.420 ( -11.799 0.194 -3.526) 12.316 3.366 ( -5.016 -4.289 -1.120) 6.694 3.608 ( -19.197 10.372 -1.258) 21.856 3.674 ( 9.295 1.946 3.547) 10.137 5.621 ( -14.670 -6.906 0.883) 16.238 8.111 ( -6.390 -7.255 2.233) 9.923 8.343 ( -16.382 4.422 3.095) 17.248 9.711 ( 5.464 2.130 -2.736) 6.471 10.138 ( 18.593 8.798 6.443) 21.555 10.357 ( 8.676 5.632 -11.242) 15.277 14.228 ( 6.759 -3.995 5.090) 9.357======================= Grid point 324 (113/417) =======================q-point: (-0.19 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( -9.106 -2.231 -0.543) 9.391 2.203 ( -12.829 0.944 -0.707) 12.883 3.189 ( -10.290 -3.446 1.121) 10.910 3.306 ( -22.203 4.637 -1.102) 22.709 3.877 ( 9.636 1.680 -0.410) 9.790 5.207 ( -24.859 -7.097 0.972) 25.870 7.924 ( -13.453 -1.500 1.836) 13.660 8.122 ( -8.514 -1.314 3.444) 9.278 9.756 ( 1.574 0.307 -1.693) 2.332 10.538 ( 12.092 2.036 0.128) 12.262 10.678 ( 27.026 9.589 -6.093) 29.316 14.336 ( 7.043 -1.637 3.387) 7.985======================= Grid point 325 (114/417) =======================q-point: (-0.12 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( -14.095 -2.031 1.598) 14.329 1.988 ( -12.480 -0.030 0.809) 12.506 2.935 ( -21.862 2.158 1.058) 21.994 2.952 ( -14.483 -3.240 -0.618) 14.854 4.026 ( 6.088 1.084 -3.256) 6.989 4.623 ( -34.264 -5.623 1.937) 34.776 7.596 ( -20.854 -1.042 1.295) 20.920 8.090 ( 3.912 -1.193 1.612) 4.396 9.805 ( 4.698 0.165 -1.261) 4.867 10.716 ( 9.330 -0.582 -9.063) 13.020 11.281 ( 30.536 7.778 5.163) 31.931 14.447 ( 6.148 -1.061 -0.390) 6.251======================= Grid point 326 (115/417) =======================q-point: (-0.06 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( -18.270 -0.706 4.131) 18.744 1.751 ( -15.351 -0.450 1.903) 15.475 2.577 ( -18.176 -0.623 -0.974) 18.213 2.659 ( -18.418 0.613 1.979) 18.535 3.889 ( -37.678 1.685 -3.868) 37.913 4.141 ( -0.324 -1.522 1.261) 2.003 7.235 ( -19.008 -0.531 0.995) 19.041 8.215 ( 11.120 -1.334 -0.005) 11.200 9.916 ( 7.688 0.664 -1.047) 7.788 10.781 ( 3.071 -2.122 -12.976) 13.502 11.913 ( 31.243 4.173 10.424) 33.200 14.510 ( 3.429 -1.900 -5.413) 6.683======================= Grid point 331 (116/417) =======================q-point: ( 0.25 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 0.000 13.669 14.215) 19.721 1.669 ( 0.000 14.435 5.719) 15.526 2.347 ( -0.000 12.827 -2.919) 13.155 2.544 ( 0.000 19.650 5.489) 20.402 3.446 ( -0.000 37.104 -3.899) 37.308 4.133 ( -0.000 4.705 -3.369) 5.787 7.095 ( 0.000 15.715 1.894) 15.829 8.377 ( 0.000 -10.193 3.830) 10.889 10.003 ( -0.000 -7.956 -1.490) 8.095 10.435 ( -0.000 1.754 -28.341) 28.395 12.318 ( 0.000 -32.408 15.145) 35.772 14.395 ( -0.000 5.453 -12.385) 13.532======================= Grid point 332 (117/417) =======================q-point: ( 0.31 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 1.626 11.939 9.560) 15.381 1.860 ( 4.189 10.319 5.758) 12.537 2.556 ( 7.982 16.130 -2.060) 18.115 2.773 ( 3.371 15.436 3.389) 16.159 3.760 ( 3.985 14.774 -9.825) 18.185 4.280 ( 3.753 23.568 2.471) 23.993 7.321 ( 6.182 17.207 1.866) 18.379 8.263 ( -4.533 -7.251 2.687) 8.963 9.865 ( -4.986 -6.000 -2.995) 8.356 10.341 ( 0.477 -4.855 -24.440) 24.922 12.019 ( -2.395 -32.517 16.457) 36.523 14.380 ( -3.037 3.385 -11.067) 11.965======================= Grid point 333 (118/417) =======================q-point: ( 0.38 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( 4.496 10.220 6.893) 13.122 2.048 ( 4.898 8.014 4.075) 10.238 2.896 ( 8.236 16.682 -1.487) 18.664 2.993 ( 8.018 11.818 0.625) 14.295 3.826 ( 0.650 1.199 -8.732) 8.838 4.716 ( 10.562 29.581 3.329) 31.586 7.658 ( 9.737 18.615 2.459) 21.151 8.102 ( -7.540 -1.951 -0.546) 7.808 9.745 ( -1.236 -3.743 -3.209) 5.083 10.187 ( -2.321 -8.558 -19.012) 20.978 11.681 ( -5.036 -31.843 15.745) 35.878 14.280 ( -6.987 1.204 -10.001) 12.259======================= Grid point 334 (119/417) =======================q-point: ( 0.44 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.205 ( 4.462 6.855 6.297) 10.323 2.240 ( 6.991 9.641 1.404) 11.991 3.050 ( 1.902 4.296 -3.937) 6.130 3.369 ( 12.080 19.292 -1.648) 22.821 3.810 ( -0.472 0.533 -2.286) 2.395 5.188 ( 11.648 21.452 2.171) 24.507 7.894 ( -2.516 4.708 -0.479) 5.360 8.127 ( 6.585 18.622 1.356) 19.798 9.721 ( 2.563 -2.659 -3.688) 5.219 9.981 ( -4.834 -7.739 -13.396) 16.208 11.299 ( -8.329 -29.367 12.569) 33.011 14.116 ( -7.704 -1.102 -8.271) 11.357======================= Grid point 335 (120/417) =======================q-point: ( 0.50 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( 2.919 6.984 3.661) 8.408 2.478 ( 8.523 8.813 1.217) 12.321 3.065 ( 0.597 -1.412 -7.516) 7.671 3.659 ( 1.476 8.085 -2.407) 8.564 3.884 ( 3.984 13.980 3.806) 15.027 5.547 ( 9.523 11.193 1.453) 14.768 7.912 ( 1.961 4.894 -1.037) 5.374 8.459 ( 4.125 21.712 2.134) 22.203 9.667 ( -1.214 -9.334 -10.006) 13.737 9.860 ( -1.669 2.040 -1.663) 3.116 10.892 ( -10.967 -22.075 7.279) 25.702 13.961 ( -3.733 -4.230 -5.405) 7.813======================= Grid point 336 (121/417) =======================q-point: ( 0.56 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.468 ( 0.234 7.731 1.694) 7.918 2.715 ( 8.992 6.698 0.629) 11.230 3.007 ( -0.950 -2.970 -9.787) 10.272 3.659 ( -2.145 -1.857 3.985) 4.892 4.143 ( -0.637 23.692 0.901) 23.718 5.759 ( 7.069 1.762 1.175) 7.380 8.058 ( 8.511 4.844 -0.698) 9.817 8.690 ( -2.057 18.937 1.275) 19.091 9.519 ( -0.196 -8.484 -7.263) 11.170 9.817 ( -8.246 1.061 2.816) 8.778 10.579 ( -7.727 -6.814 0.870) 10.339 13.878 ( 2.428 -7.549 -1.981) 8.174======================= Grid point 337 (122/417) =======================q-point: ( 0.62 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.517 ( -3.531 6.555 -0.226) 7.449 2.869 ( -0.264 -1.500 -1.632) 2.233 2.984 ( 6.624 5.492 -8.607) 12.170 3.604 ( -1.600 -5.684 7.033) 9.183 4.303 ( -9.444 24.269 -0.331) 26.043 5.849 ( 4.864 -4.851 1.083) 6.955 8.239 ( 7.940 -1.341 -1.906) 8.275 8.792 ( -4.864 14.723 1.653) 15.594 9.454 ( 1.539 -6.590 -4.196) 7.962 9.662 ( -9.571 6.447 5.142) 12.634 10.468 ( -5.048 3.299 -3.247) 6.850 13.878 ( 7.200 -9.210 0.973) 11.731======================= Grid point 338 (123/417) =======================q-point: (-0.31 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( -6.252 2.513 -1.491) 6.902 2.778 ( -7.418 2.534 -4.052) 8.824 3.183 ( 10.520 3.988 -6.798) 13.145 3.543 ( -0.497 -7.112 9.040) 11.513 4.293 ( -17.194 20.315 -0.701) 26.623 5.843 ( 1.066 -7.180 0.941) 7.320 8.236 ( -0.618 -9.252 -1.554) 9.402 8.842 ( -7.644 11.174 2.913) 13.849 9.422 ( 3.396 2.293 -3.592) 5.449 9.742 ( 4.272 10.306 5.730) 12.542 10.387 ( -6.199 2.216 -5.568) 8.623 13.941 ( 9.255 -8.222 2.635) 12.657======================= Grid point 339 (124/417) =======================q-point: (-0.25 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( -7.277 -0.097 -1.136) 7.366 2.637 ( -11.292 3.897 -2.510) 12.206 3.328 ( 4.255 -0.738 -7.678) 8.809 3.545 ( 5.534 -2.856 8.834) 10.808 4.111 ( -22.426 13.034 -0.527) 25.944 5.742 ( -5.744 -5.909 0.747) 8.274 8.096 ( -3.102 -8.798 0.700) 9.355 8.720 ( -16.294 6.225 2.208) 17.582 9.608 ( 10.575 5.979 -3.831) 12.738 9.996 ( 10.013 10.382 7.693) 16.348 10.283 ( -1.661 -1.833 -8.520) 8.872 14.046 ( 9.547 -5.474 2.517) 11.289======================= Grid point 340 (125/417) =======================q-point: (-0.19 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( -8.037 -0.334 0.390) 8.053 2.446 ( -13.232 2.101 -0.927) 13.429 3.279 ( -4.291 -2.286 -2.564) 5.497 3.709 ( 10.498 0.135 1.747) 10.644 3.783 ( -24.990 5.437 -0.047) 25.575 5.514 ( -15.415 -3.408 0.683) 15.802 7.983 ( -2.167 -4.744 1.055) 5.321 8.441 ( -20.378 1.972 1.597) 20.536 9.755 ( 1.133 2.886 -1.774) 3.572 10.296 ( 11.553 -1.597 -15.284) 19.225 10.376 ( 17.978 7.356 12.775) 23.249 14.174 ( 9.139 -2.945 0.513) 9.616======================= Grid point 341 (126/417) =======================q-point: (-0.12 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.069 ( -9.974 0.630 2.194) 10.231 2.219 ( -13.573 0.229 0.260) 13.578 3.138 ( -9.419 -0.680 -1.618) 9.581 3.369 ( -24.887 0.414 0.662) 24.899 3.887 ( 9.217 0.018 -1.694) 9.372 5.134 ( -25.969 -0.291 1.004) 25.990 7.896 ( -8.432 -1.234 0.167) 8.523 8.111 ( -13.334 -1.626 -0.022) 13.433 9.766 ( 0.345 1.029 -0.420) 1.164 10.456 ( 13.728 -2.442 -15.735) 21.024 10.880 ( 25.863 5.135 14.466) 30.075 14.298 ( 7.978 -2.178 -3.015) 8.802======================= Grid point 342 (127/417) =======================q-point: (-0.06 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( -14.669 2.332 3.510) 15.262 1.991 ( -12.435 -0.347 1.113) 12.489 2.896 ( -18.183 -1.634 -1.992) 18.364 2.987 ( -17.661 2.184 2.137) 17.924 4.010 ( 5.857 -0.139 -4.900) 7.637 4.626 ( -34.181 4.614 2.166) 34.559 7.589 ( -20.704 -0.284 0.582) 20.714 8.044 ( 4.477 -2.687 -2.933) 5.989 9.818 ( 4.387 1.370 0.024) 4.596 10.593 ( 10.035 -2.701 -16.510) 19.509 11.451 ( 29.360 0.858 17.326) 34.102 14.378 ( 5.836 -2.981 -7.281) 9.796======================= Grid point 348 (128/417) =======================q-point: ( 0.31 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 0.000 7.829 2.445) 8.202 1.958 ( 0.000 9.837 10.335) 14.268 2.630 ( -0.000 15.754 -1.775) 15.854 2.907 ( 0.000 13.709 1.101) 13.753 3.802 ( -0.000 5.415 -9.759) 11.161 4.544 ( 0.000 32.212 3.411) 32.392 7.431 ( 0.000 15.852 0.477) 15.859 8.258 ( 0.000 -3.371 2.251) 4.054 9.859 ( -0.000 -4.972 -0.473) 4.995 10.167 ( -0.000 -9.861 -25.863) 27.679 11.759 ( 0.000 -32.992 16.413) 36.849 14.414 ( -0.000 3.621 -9.060) 9.756======================= Grid point 349 (129/417) =======================q-point: ( 0.38 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( 4.175 6.428 1.308) 7.776 2.090 ( 1.529 7.576 8.583) 11.550 2.879 ( 10.189 16.064 -1.228) 19.063 3.027 ( 0.604 8.531 -2.524) 8.917 3.813 ( 0.196 2.316 -6.405) 6.814 4.915 ( 3.700 30.850 2.872) 31.204 7.665 ( 8.711 15.056 0.254) 17.397 8.201 ( -4.772 0.154 -0.869) 4.853 9.758 ( -4.787 -2.963 -2.813) 6.294 10.019 ( 2.895 -10.968 -18.132) 21.388 11.459 ( -1.958 -32.807 14.763) 36.029 14.379 ( -4.858 2.690 -7.776) 9.555======================= Grid point 350 (130/417) =======================q-point: ( 0.44 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.198 ( 7.382 6.395 0.533) 9.781 2.223 ( 3.136 5.738 7.174) 9.707 3.065 ( -0.548 3.212 -6.035) 6.859 3.285 ( 16.140 15.857 -1.458) 22.673 3.824 ( -0.083 2.403 -1.067) 2.630 5.282 ( 5.072 23.837 1.958) 24.449 7.978 ( 4.190 9.835 0.048) 10.690 8.160 ( 3.670 9.226 -1.783) 10.088 9.658 ( -1.082 -4.351 -5.402) 7.020 9.914 ( 0.070 -5.448 -9.929) 11.326 11.125 ( -3.618 -31.481 11.883) 33.843 14.248 ( -9.411 1.092 -6.969) 11.761======================= Grid point 351 (131/417) =======================q-point: ( 0.50 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.359 ( 4.281 4.514 6.019) 8.656 2.414 ( 8.944 7.140 -0.375) 11.451 3.034 ( -1.217 -1.141 -7.502) 7.685 3.674 ( 7.110 10.315 -2.582) 12.791 3.903 ( 7.770 8.787 3.751) 12.314 5.563 ( 3.788 14.436 1.263) 14.978 7.984 ( -3.463 5.737 -1.158) 6.800 8.520 ( 12.841 16.718 1.656) 21.145 9.559 ( -0.836 -8.718 -8.442) 12.165 9.888 ( 0.976 3.822 -3.441) 5.235 10.787 ( -4.133 -27.228 8.376) 28.785 14.045 ( -10.611 -1.270 -5.892) 12.204======================= Grid point 352 (132/417) =======================q-point: ( 0.56 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.498 ( 4.260 4.354 4.397) 7.513 2.641 ( 8.452 7.378 -1.392) 11.306 2.964 ( -1.253 -2.984 -7.071) 7.776 3.709 ( -3.531 0.035 2.029) 4.073 4.281 ( 11.911 19.502 1.032) 22.875 5.705 ( 1.467 3.878 0.887) 4.240 8.034 ( 1.852 6.760 0.929) 7.071 8.845 ( 4.706 13.973 1.862) 14.861 9.416 ( -1.375 -8.754 -7.542) 11.636 9.959 ( -1.376 7.493 -0.307) 7.625 10.530 ( -0.101 -16.602 3.789) 17.029 13.840 ( -6.895 -4.447 -3.975) 9.117======================= Grid point 353 (133/417) =======================q-point: ( 0.62 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.606 ( 0.851 4.426 1.458) 4.737 2.815 ( 4.028 2.192 -0.754) 4.647 2.930 ( 3.343 2.352 -6.852) 7.979 3.622 ( -4.623 -4.134 4.382) 7.594 4.635 ( 2.009 23.725 -0.122) 23.811 5.715 ( 1.884 -6.679 0.870) 6.994 8.155 ( 3.581 3.987 1.455) 5.553 8.972 ( -2.267 7.965 1.245) 8.374 9.320 ( 2.375 -7.121 -5.111) 9.081 9.940 ( -9.000 8.686 3.662) 13.033 10.490 ( 3.304 -2.234 -1.963) 4.445 13.713 ( 0.475 -7.069 -1.430) 7.228======================= Grid point 354 (134/417) =======================q-point: (-0.31 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( -5.403 1.586 -1.223) 5.763 2.864 ( 1.237 1.518 0.269) 1.976 3.062 ( 6.020 6.947 -7.547) 11.894 3.511 ( -2.600 -7.607 6.715) 10.474 4.782 ( -12.881 22.306 -0.629) 25.766 5.684 ( 5.970 -11.548 0.928) 13.033 8.189 ( -1.454 -2.566 0.324) 2.967 9.010 ( -1.582 6.315 2.298) 6.904 9.313 ( 5.270 -4.418 -4.009) 7.960 9.923 ( -5.772 12.458 5.279) 14.710 10.480 ( -3.803 0.582 -4.714) 6.085 13.711 ( 7.416 -6.913 0.445) 10.148======================= Grid point 355 (135/417) =======================q-point: (-0.25 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.483 ( -7.156 0.514 -0.231) 7.178 2.846 ( -7.127 3.505 -0.989) 8.004 3.206 ( 6.476 4.175 -8.860) 11.742 3.455 ( 2.751 -6.988 8.762) 11.540 4.628 ( -22.441 10.773 -0.387) 24.896 5.698 ( 4.222 -5.878 0.615) 7.263 8.093 ( -4.253 -3.921 0.548) 5.810 8.988 ( -8.138 2.074 1.523) 8.535 9.435 ( 11.508 1.738 -2.893) 11.993 10.022 ( 2.521 8.263 4.959) 9.961 10.340 ( -8.994 -0.815 -4.824) 10.238 13.819 ( 10.529 -4.211 0.360) 11.345======================= Grid point 356 (136/417) =======================q-point: (-0.19 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.362 ( -7.649 0.907 1.522) 7.852 2.688 ( -12.274 0.952 -0.572) 12.324 3.284 ( 1.345 1.978 -6.977) 7.376 3.535 ( 8.889 -2.810 5.493) 10.820 4.258 ( -25.065 0.265 0.127) 25.067 5.673 ( -4.673 -0.292 0.402) 4.700 8.001 ( -3.488 -0.552 0.414) 3.556 8.780 ( -16.140 -1.126 0.787) 16.198 9.669 ( 11.637 2.045 -2.533) 12.083 10.096 ( 2.856 -9.659 -7.329) 12.456 10.283 ( 3.577 9.966 8.114) 13.340 13.975 ( 10.312 -1.475 -1.593) 10.538======================= Grid point 357 (137/417) =======================q-point: (-0.12 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.244 ( -8.057 1.453 2.873) 8.677 2.460 ( -13.545 -0.364 0.532) 13.560 3.257 ( -4.533 2.309 -4.520) 6.805 3.701 ( 9.933 -1.633 0.273) 10.070 3.792 ( -24.216 -4.825 1.246) 24.724 5.513 ( -15.320 2.882 0.550) 15.598 7.956 ( -3.006 2.437 -1.645) 4.205 8.425 ( -20.543 -4.121 -0.047) 20.952 9.778 ( 0.599 -0.453 0.545) 0.928 10.119 ( 13.592 -5.011 -13.571) 19.850 10.580 ( 17.377 2.561 13.780) 22.324 14.124 ( 8.483 -0.426 -4.526) 9.624======================= Grid point 358 (138/417) =======================q-point: (-0.06 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( -8.897 1.666 3.114) 9.572 2.223 ( -14.010 0.967 1.541) 14.127 3.139 ( -10.802 1.795 -3.329) 11.445 3.332 ( -20.834 -3.529 1.017) 21.156 3.859 ( 8.794 -1.517 -2.261) 9.206 5.208 ( -24.612 6.456 1.025) 25.465 7.890 ( -10.181 1.064 -1.877) 10.407 8.050 ( -12.381 -2.765 -3.436) 13.143 9.786 ( 1.185 0.728 1.311) 1.911 10.288 ( 14.284 -3.694 -15.609) 21.478 11.010 ( 25.898 -3.622 17.901) 31.690 14.224 ( 5.947 -1.080 -7.658) 9.756======================= Grid point 365 (139/417) =======================q-point: ( 0.38 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 0.000 4.635 0.544) 4.667 2.172 ( 0.000 5.789 7.381) 9.380 2.928 ( -0.000 14.006 -0.969) 14.039 3.080 ( -0.000 4.599 -6.242) 7.753 3.825 ( -0.000 3.409 -2.833) 4.433 5.195 ( 0.000 28.028 2.202) 28.114 7.705 ( -0.000 10.886 -1.647) 11.010 8.251 ( -0.000 2.249 -4.016) 4.602 9.780 ( -0.000 -12.797 -16.162) 20.615 9.820 ( 0.000 1.126 1.175) 1.627 11.188 ( 0.000 -32.587 12.460) 34.888 14.435 ( -0.000 3.295 -5.929) 6.783======================= Grid point 366 (140/417) =======================q-point: ( 0.44 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.135 ( 5.212 4.033 0.120) 6.591 2.255 ( 1.431 4.049 6.303) 7.627 3.075 ( -0.712 0.539 -8.418) 8.465 3.167 ( 11.815 12.754 -0.843) 17.406 3.858 ( -0.298 3.861 0.536) 3.909 5.472 ( 1.416 22.305 1.398) 22.393 7.904 ( 11.663 8.795 -1.551) 14.690 8.224 ( -3.345 3.488 -7.021) 8.523 9.604 ( -1.769 -8.491 -7.520) 11.479 9.861 ( 0.905 2.402 -0.616) 2.640 10.885 ( -1.452 -31.238 9.411) 32.657 14.394 ( -6.410 2.801 -5.004) 8.601======================= Grid point 367 (141/417) =======================q-point: ( 0.50 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 9.194 4.170 -0.118) 10.096 2.349 ( 3.265 2.814 5.519) 7.003 3.023 ( -1.409 -1.414 -7.892) 8.141 3.561 ( 17.410 12.076 -1.461) 21.238 3.891 ( 0.328 2.720 2.782) 3.905 5.688 ( 0.620 15.320 0.883) 15.358 8.097 ( -2.419 5.100 -3.690) 6.744 8.357 ( 18.577 8.804 -2.581) 20.719 9.485 ( -1.928 -6.049 -4.103) 7.559 9.901 ( 0.567 4.037 -1.056) 4.211 10.583 ( -1.708 -27.014 6.803) 27.909 14.237 ( -11.944 1.470 -4.586) 12.878======================= Grid point 368 (142/417) =======================q-point: ( 0.56 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( 4.730 1.943 4.492) 6.806 2.528 ( 10.919 4.619 -0.584) 11.870 2.952 ( -2.169 -1.816 -5.835) 6.485 3.788 ( -2.595 3.212 0.161) 4.133 4.130 ( 20.642 9.622 1.510) 22.824 5.791 ( -2.964 7.705 0.589) 8.276 8.098 ( -1.029 5.681 -1.160) 5.888 8.786 ( 16.498 8.966 -0.525) 18.784 9.371 ( -3.829 -4.538 -3.296) 6.791 9.976 ( 5.278 3.170 -2.458) 6.629 10.351 ( -0.276 -17.844 5.754) 18.751 13.995 ( -13.961 -0.470 -3.873) 14.496======================= Grid point 369 (143/417) =======================q-point: ( 0.62 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.578 ( 5.312 1.284 2.576) 6.041 2.760 ( 9.217 5.237 -0.943) 10.643 2.880 ( -1.462 -1.641 -3.406) 4.053 3.709 ( -6.701 -1.042 1.265) 6.898 4.621 ( 20.422 12.727 0.274) 24.064 5.733 ( -7.829 -0.728 0.352) 7.870 8.167 ( 1.802 4.754 1.274) 5.241 9.033 ( 4.118 4.804 -0.290) 6.334 9.243 ( -3.619 -4.696 -2.826) 6.568 10.113 ( 1.535 6.444 -1.733) 6.847 10.295 ( 9.563 -8.119 3.562) 13.041 13.747 ( -10.500 -2.384 -2.342) 11.019======================= Grid point 370 (144/417) =======================q-point: ( 0.69 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.660 ( 0.575 0.895 0.131) 1.072 2.816 ( 0.931 -0.116 -0.396) 1.018 2.997 ( 8.879 4.808 -1.830) 10.262 3.558 ( -7.825 -3.808 1.656) 8.859 5.066 ( 11.401 17.480 -0.261) 20.871 5.519 ( -8.310 -11.741 0.433) 14.391 8.214 ( -1.017 0.649 0.894) 1.502 9.087 ( -1.544 3.976 1.407) 4.491 9.175 ( 3.130 -4.214 -2.916) 6.005 10.120 ( -4.662 4.264 2.045) 6.640 10.455 ( 7.406 0.188 -1.376) 7.535 13.602 ( -1.800 -2.568 -0.577) 3.188======================= Grid point 371 (145/417) =======================q-point: (-0.25 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.610 ( -5.859 0.931 0.851) 5.993 2.875 ( 3.950 -0.734 -1.074) 4.159 3.175 ( 5.019 6.961 -3.094) 9.122 3.395 ( -4.335 -6.403 3.126) 8.340 5.084 ( -21.571 0.669 -0.206) 21.583 5.492 ( 14.192 -0.789 0.277) 14.217 8.159 ( -4.390 -0.395 0.587) 4.447 9.071 ( -1.909 -1.800 -0.278) 2.638 9.268 ( 7.981 2.770 -0.353) 8.455 10.060 ( -3.420 -3.546 0.050) 4.927 10.489 ( -4.370 3.213 0.030) 5.424 13.635 ( 6.673 -0.148 -0.312) 6.681======================= Grid point 372 (146/417) =======================q-point: (-0.19 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.509 ( -7.089 0.944 2.314) 7.517 2.852 ( -5.661 -1.925 -0.405) 5.993 3.270 ( 0.639 7.279 -9.577) 12.046 3.376 ( 7.169 -5.602 8.020) 12.128 4.634 ( -22.490 -10.240 0.200) 24.712 5.692 ( 4.407 5.198 0.047) 6.815 8.097 ( -4.459 3.962 0.936) 6.038 8.963 ( -7.605 -4.458 -0.886) 8.860 9.463 ( 10.790 2.002 -0.255) 10.977 9.929 ( -0.068 -13.087 -3.913) 13.660 10.434 ( -5.919 5.280 4.428) 9.084 13.795 ( 9.562 2.636 -1.944) 10.107======================= Grid point 373 (147/417) =======================q-point: (-0.12 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.396 ( -7.295 -0.068 2.708) 7.782 2.679 ( -11.251 -0.544 1.775) 11.403 3.314 ( 0.021 5.100 -10.016) 11.239 3.508 ( 9.359 -2.976 5.949) 11.482 4.121 ( -22.261 -12.657 0.594) 25.614 5.736 ( -5.567 5.423 0.202) 7.774 8.082 ( -5.193 8.460 -0.767) 9.956 8.686 ( -15.960 -8.095 -1.127) 17.931 9.659 ( 10.698 -2.646 0.863) 11.054 9.842 ( 6.775 -8.754 -7.082) 13.141 10.448 ( 2.830 -0.072 7.755) 8.256 13.979 ( 8.138 3.785 -4.151) 9.888======================= Grid point 374 (148/417) =======================q-point: (-0.06 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.267 ( -7.220 -1.724 1.671) 7.609 2.491 ( -12.564 3.512 3.694) 13.558 3.292 ( -4.927 4.022 -7.429) 9.780 3.605 ( -11.615 -8.514 -2.326) 14.588 3.689 ( 1.627 -4.189 4.792) 6.570 5.617 ( -14.496 6.340 0.457) 15.828 8.053 ( -7.660 8.206 -3.678) 11.813 8.287 ( -17.771 -7.836 -2.418) 19.572 9.762 ( 4.025 -1.219 2.680) 4.987 9.955 ( 13.679 -3.462 -10.578) 17.635 10.602 ( 17.145 -9.194 11.753) 22.729 14.115 ( 5.064 3.109 -5.971) 8.424======================= Grid point 382 (149/417) =======================q-point: ( 0.44 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( -0.000 2.832 -0.095) 2.834 2.293 ( 0.000 2.352 5.175) 5.684 3.048 ( -0.000 -1.315 -8.774) 8.872 3.169 ( -0.000 10.053 -0.520) 10.066 3.908 ( 0.000 4.221 1.625) 4.523 5.669 ( 0.000 17.772 0.552) 17.781 7.845 ( -0.000 4.709 -2.547) 5.354 8.255 ( -0.000 2.276 -10.516) 10.760 9.527 ( -0.000 -5.176 -2.143) 5.602 9.907 ( 0.000 5.663 1.868) 5.964 10.610 ( 0.000 -29.911 6.006) 30.507 14.472 ( -0.000 3.257 -3.694) 4.925======================= Grid point 383 (150/417) =======================q-point: ( 0.50 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.199 ( 5.959 2.360 -0.164) 6.412 2.341 ( 1.831 1.192 4.737) 5.216 3.001 ( -0.600 -1.553 -6.996) 7.191 3.376 ( 12.938 8.153 -0.533) 15.301 3.942 ( -1.190 2.887 1.777) 3.593 5.827 ( 0.233 12.391 0.086) 12.394 8.017 ( 14.706 4.094 -1.380) 15.328 8.223 ( -0.979 1.922 -9.489) 9.731 9.485 ( -2.031 -0.337 1.744) 2.698 9.952 ( -1.895 3.450 0.742) 4.006 10.346 ( 0.992 -24.507 3.307) 24.749 14.425 ( -7.599 2.645 -3.194) 8.657======================= Grid point 384 (151/417) =======================q-point: ( 0.56 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.365 ( 9.929 2.063 -1.039) 10.194 2.415 ( 4.100 0.491 5.193) 6.634 2.955 ( -1.303 -0.656 -4.249) 4.493 3.749 ( 18.348 7.325 -1.400) 19.806 3.940 ( 0.316 0.171 1.996) 2.028 5.917 ( -1.750 7.177 0.061) 7.388 8.162 ( -1.652 3.703 -2.911) 4.992 8.460 ( 25.119 3.612 -2.435) 25.494 9.442 ( -5.278 2.483 2.080) 6.193 9.880 ( -0.653 -9.794 -1.768) 9.973 10.230 ( 2.460 -7.105 2.965) 8.082 14.245 ( -13.801 1.549 -2.828) 14.173======================= Grid point 385 (152/417) =======================q-point: ( 0.62 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.493 ( 5.317 -0.365 1.053) 5.433 2.597 ( 12.050 1.752 1.895) 12.323 2.912 ( -2.565 0.543 -1.473) 3.007 3.823 ( -6.012 0.515 -0.912) 6.103 4.272 ( 26.204 3.417 0.562) 26.432 5.891 ( -7.019 2.250 -0.102) 7.371 8.181 ( 0.695 2.598 -0.130) 2.693 8.888 ( 17.021 2.786 -1.430) 17.307 9.340 ( -8.758 0.595 0.733) 8.809 9.874 ( 13.642 -6.411 -2.432) 15.268 10.238 ( 0.438 -0.556 3.300) 3.375 13.979 ( -16.092 0.698 -1.833) 16.211======================= Grid point 386 (153/417) =======================q-point: (-0.31 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.584 ( 5.775 -1.326 -0.384) 5.937 2.832 ( 11.701 0.108 1.483) 11.795 2.868 ( -3.127 2.536 1.304) 4.233 3.685 ( -8.487 -1.034 -1.716) 8.720 4.759 ( 25.964 -0.051 0.275) 25.966 5.716 ( -13.479 -0.232 -0.366) 13.486 8.212 ( 1.070 -0.963 -0.407) 1.496 9.080 ( 5.269 0.716 -0.744) 5.370 9.199 ( -6.892 1.077 1.180) 7.074 10.141 ( 10.865 1.335 -5.797) 12.387 10.256 ( 6.585 -2.206 6.078) 9.229 13.726 ( -12.217 1.210 -0.165) 12.278======================= Grid point 387 (154/417) =======================q-point: (-0.25 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.649 ( 2.955 -2.029 -1.153) 3.766 2.829 ( -1.457 1.320 1.197) 2.302 3.055 ( 10.710 -0.127 3.973) 11.424 3.509 ( -9.510 -0.001 -3.450) 10.116 5.073 ( 12.014 -17.495 0.441) 21.227 5.508 ( -8.804 11.357 -0.657) 14.385 8.192 ( -0.242 -2.370 -1.371) 2.748 9.068 ( -2.312 -3.664 -0.457) 4.357 9.229 ( 3.005 6.999 2.483) 8.011 10.081 ( -5.696 -7.044 -1.676) 9.213 10.479 ( 8.772 1.223 0.937) 8.906 13.616 ( -2.671 3.849 0.815) 4.755======================= Grid point 388 (155/417) =======================q-point: (-0.19 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.616 ( -3.684 -2.384 0.929) 4.485 2.854 ( 1.704 0.505 -0.518) 1.851 3.215 ( 7.416 -5.896 8.109) 12.471 3.370 ( -5.778 6.741 -7.761) 11.793 4.791 ( -12.842 -22.283 0.258) 25.720 5.671 ( 6.167 11.198 -0.393) 12.790 8.186 ( 0.393 2.894 -0.016) 2.921 8.975 ( -2.845 -6.430 -1.055) 7.110 9.378 ( 4.721 6.230 2.201) 8.121 9.842 ( -7.473 -13.985 -2.576) 16.064 10.545 ( -1.503 -0.157 1.800) 2.350 13.704 ( 5.363 6.815 -0.193) 8.675======================= Grid point 389 (156/417) =======================q-point: (-0.12 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.501 ( -5.745 -4.052 1.330) 7.155 2.842 ( -5.193 1.800 2.533) 6.052 3.250 ( 4.733 -3.309 -4.255) 7.173 3.423 ( 2.695 5.208 1.189) 5.984 4.303 ( -17.036 -20.254 0.300) 26.468 5.833 ( 1.316 6.863 -0.101) 6.989 8.260 ( -1.337 11.269 0.704) 11.370 8.792 ( -8.159 -11.750 -1.883) 14.428 9.498 ( 2.770 -1.722 3.954) 5.126 9.629 ( 3.720 -9.423 -5.481) 11.519 10.474 ( -4.100 -4.016 2.961) 6.459 13.894 ( 7.055 7.838 -1.996) 10.732======================= Grid point 390 (157/417) =======================q-point: (-0.06 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( -5.935 -4.607 0.736) 7.550 2.749 ( -9.996 5.008 5.147) 12.308 3.298 ( 4.428 0.115 -12.655) 13.408 3.522 ( 3.445 0.039 6.107) 7.012 3.827 ( -15.654 -14.988 1.064) 21.698 5.853 ( -5.794 5.332 0.147) 7.875 8.306 ( -9.200 11.561 -0.776) 14.795 8.460 ( -13.152 -9.515 -4.095) 16.742 9.564 ( 13.179 -7.533 4.334) 15.787 9.715 ( 8.656 -0.379 -5.188) 10.099 10.370 ( 0.504 -10.730 4.012) 11.467 14.067 ( 4.714 6.759 -3.118) 8.811======================= Grid point 399 (158/417) =======================q-point: ( 0.50 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.162 ( 0.000 1.415 0.011) 1.415 2.344 ( 0.000 0.041 4.264) 4.265 2.974 ( -0.000 -0.768 -4.667) 4.730 3.322 ( -0.000 5.231 -0.209) 5.236 3.984 ( 0.000 2.054 0.863) 2.228 5.927 ( -0.000 8.074 -0.412) 8.085 7.890 ( -0.000 1.618 -1.217) 2.025 8.231 ( -0.000 2.008 -6.858) 7.146 9.542 ( 0.000 4.876 4.417) 6.580 10.029 ( 0.000 4.510 0.786) 4.578 10.080 ( -0.000 -23.675 -0.434) 23.679 14.511 ( -0.000 2.415 -2.536) 3.502======================= Grid point 400 (159/417) =======================q-point: ( 0.56 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.230 ( 6.251 0.837 -0.028) 6.307 2.373 ( 2.167 -0.704 4.387) 4.944 2.960 ( -0.429 0.801 -1.689) 1.918 3.486 ( 13.756 2.915 -0.177) 14.063 3.981 ( -1.989 0.393 -0.245) 2.042 5.987 ( -0.096 3.925 -0.326) 3.940 8.070 ( 18.347 1.518 -0.207) 18.411 8.224 ( -1.895 2.953 -1.515) 3.822 9.593 ( -3.685 8.296 4.064) 9.946 9.793 ( -4.847 -16.411 -3.380) 17.442 10.127 ( 5.159 -0.328 0.460) 5.190 14.452 ( -8.120 1.594 -2.237) 8.572======================= Grid point 401 (160/417) =======================q-point: (-0.38 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.375 ( 8.420 -0.222 -1.507) 8.557 2.440 ( 6.014 -1.315 4.964) 7.908 2.961 ( -1.393 2.382 1.249) 3.029 3.833 ( 21.771 1.355 -0.904) 21.832 3.922 ( -2.824 -1.999 -0.778) 3.546 5.986 ( -2.557 -0.079 -0.422) 2.593 8.213 ( -1.691 1.539 1.346) 2.653 8.505 ( 26.108 1.744 1.102) 26.189 9.504 ( -8.858 -4.517 -1.328) 10.032 9.691 ( 2.777 3.566 -0.309) 4.530 10.201 ( 3.470 -1.020 0.706) 3.685 14.259 ( -14.184 1.083 -1.476) 14.301======================= Grid point 402 (161/417) =======================q-point: (-0.31 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.463 ( 5.279 -2.363 -1.404) 5.952 2.615 ( 12.171 -1.731 3.061) 12.668 2.962 ( -2.834 3.592 3.791) 5.942 3.801 ( -6.581 -1.159 -3.231) 7.423 4.268 ( 26.581 -4.126 0.218) 26.900 5.885 ( -7.047 -2.607 -0.753) 7.552 8.190 ( -1.331 -2.103 0.748) 2.599 8.905 ( 16.282 -1.550 0.161) 16.356 9.338 ( -6.292 0.385 0.597) 6.332 9.889 ( 13.221 8.812 -1.043) 15.923 10.217 ( 0.078 -3.466 1.256) 3.688 13.999 ( -15.722 1.820 0.184) 15.828======================= Grid point 403 (162/417) =======================q-point: (-0.25 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.524 ( 5.708 -3.472 -2.685) 7.200 2.795 ( 9.172 -4.664 2.213) 10.525 2.975 ( -0.948 4.776 6.456) 8.086 3.653 ( -7.860 0.125 -4.587) 9.101 4.620 ( 20.775 -13.220 0.100) 24.625 5.721 ( -7.825 0.458 -0.819) 7.881 8.134 ( 0.233 -5.140 -1.913) 5.490 9.027 ( 3.514 -6.082 -0.892) 7.080 9.318 ( -2.220 8.526 4.563) 9.921 10.119 ( -5.733 -4.097 -1.244) 7.156 10.258 ( 16.622 4.033 0.026) 17.104 13.791 ( -10.811 4.461 2.044) 11.873======================= Grid point 404 (163/417) =======================q-point: (-0.19 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.562 ( 3.750 -5.015 -2.862) 6.885 2.835 ( 2.041 -3.694 1.149) 4.374 3.086 ( 5.195 1.137 9.155) 10.588 3.518 ( -7.076 3.743 -6.480) 10.299 4.636 ( 2.458 -24.189 -0.005) 24.313 5.699 ( 1.836 6.449 -0.667) 6.739 8.124 ( 4.953 -2.763 -1.677) 5.914 8.957 ( -1.951 -8.629 -0.246) 8.850 9.417 ( 0.403 9.244 4.307) 10.206 9.895 ( -11.277 -8.551 -0.526) 14.162 10.494 ( 6.353 0.769 -1.595) 6.596 13.751 ( -1.665 7.861 2.401) 8.387======================= Grid point 405 (164/417) =======================q-point: (-0.12 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.511 ( -1.713 -7.031 -0.834) 7.285 2.862 ( 4.321 -1.609 -1.622) 4.888 3.176 ( 0.728 -0.918 9.760) 9.830 3.467 ( -1.651 6.197 -6.504) 9.134 4.305 ( -9.109 -24.734 -0.076) 26.358 5.834 ( 5.089 4.654 -0.381) 6.907 8.263 ( 10.356 3.924 0.280) 11.078 8.780 ( -5.948 -13.580 0.628) 14.838 9.523 ( 1.472 5.588 -0.071) 5.779 9.592 ( -12.809 -5.633 0.914) 14.023 10.492 ( -2.819 -4.792 -0.881) 5.629 13.879 ( 4.373 9.329 1.118) 10.363======================= Grid point 406 (165/417) =======================q-point: (-0.06 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1032Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.384 ( -3.850 -6.669 -0.000) 7.701 2.914 ( 0.912 1.579 -0.000) 1.823 3.179 ( -0.146 -0.253 -0.000) 0.292 3.517 ( 1.704 2.951 0.000) 3.407 3.891 ( -11.067 -19.169 -0.000) 22.135 5.931 ( 1.513 2.621 -0.000) 3.026 8.482 ( -9.553 -16.546 -0.000) 19.106 8.528 ( 7.510 13.007 -0.000) 15.019 9.362 ( -3.463 -5.997 -0.000) 6.925 9.623 ( 2.676 4.635 -0.000) 5.352 10.331 ( -5.789 -10.026 -0.000) 11.577 14.057 ( 4.693 8.129 0.000) 9.386======================= Grid point 417 (166/417) =======================q-point: (-0.44 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.178 ( 0.000 0.062 0.401) 0.406 2.357 ( 0.000 -1.468 4.285) 4.530 2.980 ( 0.000 2.625 1.470) 3.008 3.375 ( 0.000 0.095 0.030) 0.100 3.995 ( -0.000 -0.766 -1.641) 1.811 6.007 ( -0.000 0.210 -0.219) 0.303 7.912 ( 0.000 0.783 1.170) 1.407 8.283 ( 0.000 4.181 4.185) 5.916 9.649 ( -0.000 -11.515 -5.147) 12.613 9.763 ( 0.000 9.113 2.902) 9.564 10.071 ( -0.000 -0.551 -1.083) 1.215 14.530 ( -0.000 0.800 -2.118) 2.264======================= Grid point 418 (167/417) =======================q-point: (-0.38 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.232 ( 5.984 -0.735 0.135) 6.030 2.368 ( 2.072 -2.538 3.703) 4.944 3.020 ( -0.623 4.115 4.535) 6.155 3.490 ( 13.946 -2.566 0.185) 14.181 3.955 ( -2.160 -1.878 -3.031) 4.169 5.987 ( -0.322 -3.876 -0.386) 3.909 8.078 ( 16.040 -0.611 0.996) 16.082 8.330 ( -1.183 3.815 8.856) 9.715 9.498 ( -2.407 -7.710 -5.664) 9.865 9.837 ( -5.022 12.744 1.014) 13.735 10.113 ( 5.145 -0.758 -0.951) 5.286 14.457 ( -7.823 0.246 -1.701) 8.010======================= Grid point 419 (168/417) =======================q-point: (-0.31 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.338 ( 6.183 -2.375 -1.955) 6.906 2.419 ( 7.380 -3.572 3.645) 8.973 3.062 ( -1.886 4.511 6.766) 8.348 3.774 ( 21.079 -6.958 1.123) 22.226 3.872 ( -2.549 -1.153 -5.082) 5.802 5.907 ( -2.022 -7.531 -0.965) 7.857 8.220 ( -1.977 -2.601 2.763) 4.279 8.521 ( 20.228 -3.169 3.516) 20.774 9.415 ( -2.021 2.210 -0.503) 3.037 9.896 ( 0.253 9.472 -0.061) 9.475 10.189 ( 1.691 3.227 -1.114) 3.810 14.271 ( -12.920 0.789 -0.300) 12.947======================= Grid point 420 (169/417) =======================q-point: (-0.25 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.383 ( 4.816 -4.133 -3.006) 7.022 2.561 ( 11.034 -5.413 2.413) 12.525 3.087 ( -2.715 4.099 7.969) 9.363 3.749 ( -5.020 -1.115 -4.202) 6.641 4.107 ( 22.489 -11.547 -0.629) 25.288 5.773 ( -2.852 -7.998 -1.167) 8.571 8.109 ( -4.287 -5.573 0.025) 7.031 8.778 ( 14.346 -10.610 -1.276) 17.889 9.463 ( -1.197 9.622 5.686) 11.241 10.036 ( 6.992 -2.514 3.910) 8.396 10.242 ( -1.674 14.468 -5.438) 15.547 14.054 ( -13.130 2.919 1.988) 13.597======================= Grid point 421 (170/417) =======================q-point: (-0.19 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.415 ( 5.304 -5.037 -3.832) 8.257 2.669 ( 8.109 -8.855 1.355) 12.084 3.121 ( -0.367 3.900 8.874) 9.700 3.644 ( -5.793 2.355 -4.781) 7.871 4.264 ( 12.731 -20.809 -0.626) 24.403 5.686 ( 1.612 -4.171 -0.935) 4.569 8.015 ( 1.133 -4.967 -0.960) 5.184 8.807 ( 5.335 -14.805 -1.888) 15.850 9.570 ( -2.081 11.579 7.440) 13.920 9.988 ( -5.619 -7.168 3.306) 9.689 10.430 ( 4.054 13.842 -6.598) 15.861 13.920 ( -7.691 6.052 3.897) 10.534======================= Grid point 422 (171/417) =======================q-point: (-0.12 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.423 ( 2.744 -6.683 -2.763) 7.735 2.694 ( 6.673 -8.879 -1.419) 11.198 3.212 ( 2.282 3.201 10.999) 11.681 3.565 ( -5.393 4.865 -5.807) 9.299 4.128 ( 0.068 -25.221 -0.698) 25.231 5.740 ( 7.260 -2.043 -0.659) 7.570 8.074 ( 9.842 -1.773 0.842) 10.036 8.680 ( -0.168 -18.278 0.290) 18.281 9.647 ( -4.497 9.997 3.927) 11.644 9.794 ( -10.787 -1.091 2.259) 11.075 10.514 ( -3.459 4.142 -5.849) 7.958 13.939 ( -0.242 8.105 4.038) 9.058======================= Grid point 434 (172/417) =======================q-point: (-0.38 -0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.168 ( 0.000 -1.442 0.628) 1.573 2.332 ( 0.000 -3.539 2.791) 4.508 3.093 ( 0.000 5.048 7.556) 9.087 3.326 ( 0.000 -5.020 0.211) 5.024 3.937 ( -0.000 -2.843 -4.093) 4.983 5.926 ( -0.000 -8.398 -0.571) 8.417 7.931 ( 0.000 -0.654 2.863) 2.937 8.414 ( 0.000 1.459 11.289) 11.383 9.454 ( -0.000 -0.323 -4.025) 4.038 9.997 ( -0.000 -5.164 -2.394) 5.692 10.077 ( -0.000 18.691 -0.905) 18.713 14.519 ( -0.000 -0.472 -1.854) 1.914======================= Grid point 435 (173/417) =======================q-point: (-0.31 -0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 5.200 -2.502 -0.062) 5.771 2.311 ( 1.892 -4.965 1.605) 5.551 3.159 ( -1.112 4.026 9.111) 10.022 3.386 ( 13.322 -7.871 0.465) 15.481 3.879 ( -1.603 -2.452 -4.768) 5.596 5.813 ( -0.019 -13.081 -1.231) 13.139 8.051 ( 12.826 -3.664 1.962) 13.483 8.400 ( -3.248 -3.950 7.439) 9.027 9.491 ( -0.718 8.955 3.013) 9.476 9.932 ( 0.173 -3.119 -0.937) 3.261 10.277 ( 0.272 19.184 -3.881) 19.575 14.446 ( -6.805 -0.223 -1.088) 6.895======================= Grid point 436 (174/417) =======================q-point: (-0.25 -0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( 4.104 -4.537 -2.846) 6.747 2.339 ( 7.901 -6.170 1.908) 10.204 3.186 ( -2.090 1.255 8.637) 8.974 3.587 ( 19.023 -12.114 1.116) 22.580 3.816 ( -1.791 -0.080 -4.898) 5.216 5.663 ( 0.681 -15.887 -1.626) 15.984 8.138 ( -2.120 -6.449 0.635) 6.818 8.391 ( 12.550 -10.430 0.498) 16.326 9.594 ( -0.927 9.813 6.036) 11.558 9.962 ( 3.035 0.954 6.299) 7.057 10.445 ( -2.289 21.745 -7.560) 23.136 14.293 ( -10.529 1.388 0.962) 10.664======================= Grid point 437 (175/417) =======================q-point: (-0.19 -0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.261 ( 4.638 -5.734 -3.913) 8.348 2.427 ( 9.010 -8.843 0.923) 12.659 3.179 ( -0.944 -1.058 7.044) 7.185 3.719 ( 3.097 -4.217 1.586) 5.467 3.821 ( 10.312 -10.736 -4.161) 15.457 5.536 ( 4.166 -14.903 -1.428) 15.540 7.994 ( -4.265 -5.102 -0.066) 6.650 8.480 ( 11.464 -17.172 -2.253) 20.770 9.698 ( 1.578 6.234 4.878) 8.072 10.027 ( -2.769 2.512 11.485) 12.078 10.603 ( -2.827 23.592 -10.732) 26.072 14.142 ( -9.817 3.912 3.721) 11.204======================= Grid point 438 (176/417) =======================q-point: (-0.12 -0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.277 ( 5.096 -6.122 -3.869) 8.855 2.465 ( 7.213 -11.250 -0.440) 13.371 3.204 ( 3.065 -1.378 6.471) 7.291 3.698 ( -3.695 1.822 1.065) 4.256 3.812 ( 6.319 -19.443 -2.992) 20.662 5.521 ( 9.878 -11.706 -1.060) 15.353 7.940 ( 2.914 -2.614 1.717) 4.275 8.428 ( 5.717 -20.592 -0.842) 21.387 9.777 ( 0.431 2.111 0.972) 2.363 9.994 ( -9.123 6.796 12.239) 16.710 10.705 ( -7.550 18.643 -12.011) 23.427 14.074 ( -5.054 5.920 5.699) 9.647======================= Grid point 451 (177/417) =======================q-point: (-0.31 -0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.125 ( 0.000 -3.289 0.379) 3.310 2.243 ( 0.000 -6.306 0.127) 6.307 3.177 ( 0.000 -9.767 0.335) 9.773 3.227 ( 0.000 0.793 9.283) 9.316 3.857 ( -0.000 -1.240 -3.657) 3.861 5.645 ( -0.000 -18.777 -1.822) 18.865 7.896 ( 0.000 -5.307 2.498) 5.865 8.401 ( 0.000 -7.082 3.402) 7.857 9.661 ( 0.000 17.128 12.249) 21.057 9.867 ( -0.000 -5.088 -2.041) 5.482 10.485 ( -0.000 23.778 -7.037) 24.797 14.497 ( -0.000 -0.410 -1.245) 1.311======================= Grid point 452 (178/417) =======================q-point: (-0.25 -0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.126 ( 3.938 -4.659 -0.977) 6.179 2.184 ( 2.227 -7.928 -0.591) 8.256 3.180 ( 11.923 -12.265 0.381) 17.109 3.225 ( -0.829 -4.748 6.554) 8.136 3.843 ( -1.032 1.997 -0.868) 2.410 5.435 ( 1.542 -23.226 -2.282) 23.389 7.925 ( 9.814 -10.107 0.599) 14.100 8.288 ( -3.989 -7.259 -0.439) 8.294 9.740 ( -5.097 3.724 3.405) 7.172 9.986 ( 4.941 12.792 15.022) 20.340 10.693 ( -1.608 25.523 -10.557) 27.667 14.445 ( -5.322 0.598 -0.049) 5.356======================= Grid point 453 (179/417) =======================q-point: (-0.19 -0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 3.273 -7.484 -3.771) 8.997 2.195 ( 7.360 -8.586 0.098) 11.309 3.162 ( -0.082 -7.875 3.689) 8.696 3.300 ( 16.581 -16.442 0.083) 23.351 3.852 ( -2.165 4.626 1.749) 5.398 5.240 ( 5.567 -24.662 -2.206) 25.378 7.959 ( 5.492 -12.340 -1.633) 13.606 8.167 ( 0.902 -8.529 -1.080) 8.644 9.721 ( -0.522 1.890 2.040) 2.829 10.212 ( -2.024 12.903 19.315) 23.316 10.881 ( -3.193 27.486 -13.360) 30.727 14.344 ( -7.842 2.538 2.550) 8.628======================= Grid point 454 (180/417) =======================q-point: (-0.12 -0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.099 ( 5.732 -7.825 -4.152) 10.551 2.223 ( 6.943 -11.121 -0.547) 13.121 3.116 ( 3.342 -7.843 2.777) 8.966 3.376 ( 12.834 -20.846 -0.594) 24.487 3.865 ( -3.682 6.196 2.813) 7.737 5.148 ( 12.322 -22.369 -1.769) 25.600 7.897 ( 1.298 -7.216 -0.116) 7.332 8.112 ( 4.998 -14.454 -0.224) 15.295 9.759 ( 1.587 1.238 0.954) 2.227 10.293 ( -8.097 10.651 17.555) 22.073 11.026 ( -7.353 26.159 -15.370) 31.218 14.256 ( -7.170 4.245 5.626) 10.054======================= Grid point 468 (181/417) =======================q-point: (-0.25 -0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -0.000 -5.821 -0.470) 5.839 2.073 ( -0.000 -9.876 -2.601) 10.213 2.942 ( 0.000 -13.518 0.402) 13.524 3.169 ( 0.000 -10.528 2.714) 10.872 3.887 ( 0.000 3.847 3.349) 5.100 5.144 ( -0.000 -29.092 -2.920) 29.238 7.725 ( 0.000 -12.585 0.332) 12.590 8.253 ( -0.000 -5.545 -3.322) 6.464 9.806 ( -0.000 0.308 -0.175) 0.354 10.186 ( 0.000 19.921 24.705) 31.736 10.939 ( -0.000 27.804 -13.328) 30.833 14.495 ( -0.000 0.701 -0.069) 0.704======================= Grid point 469 (182/417) =======================q-point: (-0.19 -0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 1.666 -11.156 -4.028) 11.977 2.004 ( 4.275 -8.286 -1.027) 9.380 2.895 ( 10.200 -15.545 0.301) 18.595 3.052 ( 0.809 -13.519 0.272) 13.546 3.936 ( -0.695 3.883 5.743) 6.967 4.853 ( 4.072 -32.079 -3.246) 32.499 7.649 ( 7.227 -16.408 -1.277) 17.974 8.173 ( -3.103 -1.573 -3.380) 4.851 9.791 ( -3.183 3.368 1.434) 4.851 10.448 ( -0.861 14.395 23.709) 27.750 11.174 ( -1.770 30.412 -14.052) 33.548 14.473 ( -3.660 1.721 1.488) 4.309======================= Grid point 470 (183/417) =======================q-point: (-0.12 -0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( 5.102 -12.329 -4.282) 14.013 2.000 ( 5.948 -10.206 -1.654) 11.928 2.927 ( 9.361 -17.772 1.631) 20.153 2.964 ( 7.538 -13.805 -1.997) 15.856 3.979 ( -1.113 4.020 6.372) 7.616 4.649 ( 11.456 -31.423 -3.221) 33.601 7.613 ( 9.314 -18.771 -2.015) 21.052 8.101 ( -4.691 1.984 -0.764) 5.151 9.790 ( -1.733 4.297 1.764) 4.958 10.574 ( -5.427 8.871 18.757) 21.447 11.381 ( -5.850 30.449 -13.949) 33.999 14.424 ( -5.465 3.016 4.349) 7.608======================= Grid point 485 (184/417) =======================q-point: (-0.19 -0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( -0.000 -14.369 -5.309) 15.319 1.870 ( -0.000 -10.134 -1.901) 10.311 2.652 ( 0.000 -14.787 0.480) 14.794 2.881 ( -0.000 -17.283 -1.317) 17.333 3.978 ( 0.000 -1.974 8.105) 8.342 4.465 ( -0.000 -32.842 -4.612) 33.164 7.413 ( -0.000 -17.005 -1.354) 17.059 8.191 ( -0.000 2.757 -4.380) 5.176 9.877 ( 0.000 5.852 1.271) 5.989 10.660 ( 0.000 9.866 22.059) 24.165 11.470 ( -0.000 33.179 -11.261) 35.038 14.522 ( 0.000 1.329 1.568) 2.056======================= Grid point 486 (185/417) =======================q-point: (-0.12 -0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( 3.066 -16.331 -5.844) 17.614 1.787 ( 4.503 -12.693 -2.586) 13.714 2.581 ( 7.739 -14.996 0.419) 16.881 2.722 ( 3.645 -18.126 -1.573) 18.556 3.932 ( 6.079 -21.834 7.957) 24.021 4.214 ( 1.569 -15.177 -4.514) 15.912 7.285 ( 5.581 -17.604 -1.714) 18.547 8.211 ( -2.515 7.462 -2.719) 8.330 9.909 ( -3.846 6.806 1.803) 8.023 10.767 ( -2.591 4.096 15.719) 16.450 11.754 ( -3.699 33.370 -8.181) 34.557 14.525 ( -1.957 1.560 3.156) 4.027======================= Grid point 502 (186/417) =======================q-point: (-0.12 -0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.424 ( -0.000 -18.933 -7.483) 20.358 1.579 ( -0.000 -17.421 -3.405) 17.751 2.380 ( 0.000 -11.814 0.469) 11.824 2.473 ( -0.000 -22.297 -1.477) 22.346 3.509 ( 0.000 -41.819 2.650) 41.903 4.171 ( 0.000 0.255 0.353) 0.436 7.061 ( -0.000 -15.992 -1.461) 16.059 8.324 ( -0.000 12.329 -1.896) 12.474 10.033 ( 0.000 8.068 1.429) 8.194 10.843 ( 0.000 -1.356 9.951) 10.043 12.116 ( -0.000 33.839 -2.669) 33.944 14.555 ( 0.000 0.002 3.149) 3.149======================= Grid point 555 (187/417) =======================q-point: ( 0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 417Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.429 ( 0.000 -0.000 21.723) 21.723 0.429 ( 0.000 -0.000 21.723) 21.723 0.892 ( 0.000 -0.000 45.765) 45.765 2.024 ( -0.000 0.000 -2.914) 2.914 2.024 ( -0.000 0.000 -2.914) 2.914 4.914 ( -0.000 0.000 -9.594) 9.594 6.559 ( 0.000 -0.000 2.197) 2.197 6.559 ( 0.000 -0.000 2.197) 2.197 10.348 ( -0.000 0.000 -1.192) 1.192 10.348 ( -0.000 0.000 -1.192) 1.192 13.511 ( 0.000 -0.000 0.963) 0.963 13.770 ( -0.000 0.000 -0.475) 0.475======================= Grid point 556 (188/417) =======================q-point: ( 0.19 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( 17.534 10.123 12.872) 23.992 0.870 ( 13.262 7.657 23.196) 27.795 1.383 ( 30.276 17.480 26.265) 43.727 2.043 ( 2.716 1.568 -3.479) 4.684 2.181 ( 13.816 7.977 -3.442) 16.321 4.303 ( -12.944 -7.473 3.842) 15.432 6.624 ( 4.827 2.787 2.338) 6.044 8.332 ( 56.121 32.401 -45.420) 79.135 10.110 ( -10.191 -5.884 -10.662) 15.879 10.307 ( -3.276 -1.891 -1.136) 3.950 13.373 ( -12.699 -7.332 5.366) 15.615 14.073 ( 16.648 9.612 -16.493) 25.329======================= Grid point 557 (189/417) =======================q-point: ( 0.25 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( 18.935 10.932 7.486) 23.110 1.208 ( 11.090 6.403 19.831) 23.607 2.133 ( 6.143 3.547 -3.832) 8.062 2.133 ( 23.960 13.833 12.947) 30.546 2.697 ( 31.980 18.464 -1.809) 36.972 4.139 ( -3.691 -2.131 -4.334) 6.078 6.795 ( 9.145 5.280 2.019) 10.751 8.673 ( -9.874 -5.701 -0.850) 11.433 10.096 ( 13.075 7.549 -33.082) 36.364 10.196 ( -5.659 -3.267 -0.993) 6.610 13.029 ( -18.291 -10.560 12.216) 24.399 14.264 ( 4.854 2.802 -16.855) 17.762======================= Grid point 558 (190/417) =======================q-point: ( 0.31 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 12.526 7.232 12.453) 19.086 1.601 ( 14.265 8.236 4.681) 17.125 2.316 ( 10.710 6.183 -3.417) 12.830 2.611 ( 16.005 9.240 7.405) 19.909 3.522 ( 34.581 19.965 -3.258) 40.063 4.075 ( 0.648 0.374 -4.137) 4.204 7.054 ( 12.318 7.112 1.179) 14.272 8.300 ( -17.399 -10.045 1.288) 20.132 10.052 ( -6.111 -3.528 -0.637) 7.085 10.274 ( 7.737 4.467 -26.784) 28.234 12.615 ( -21.379 -12.343 17.670) 30.358 14.235 ( -1.719 -0.992 -16.061) 16.183======================= Grid point 559 (191/417) =======================q-point: ( 0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 13.650 7.881 7.204) 17.330 1.874 ( 8.565 4.945 2.158) 10.123 2.601 ( 13.747 7.937 -2.028) 16.002 2.950 ( 11.341 6.548 4.111) 13.725 3.883 ( 1.018 0.588 -11.698) 11.757 4.467 ( 29.381 16.963 4.593) 34.236 7.360 ( 13.223 7.634 -0.106) 15.269 7.972 ( -9.405 -5.430 -2.617) 11.171 9.925 ( -4.304 -2.485 0.069) 4.970 10.256 ( -2.436 -1.406 -20.156) 20.352 12.124 ( -26.058 -15.045 17.879) 35.001 14.136 ( -1.775 -1.025 -12.766) 12.930======================= Grid point 560 (192/417) =======================q-point: ( 0.44 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 5.392 3.113 0.533) 6.249 2.212 ( 13.750 7.939 4.247) 16.436 2.910 ( 12.547 7.244 -0.972) 14.521 3.156 ( 5.749 3.319 -2.176) 6.986 3.831 ( -1.999 -1.154 -4.797) 5.323 5.118 ( 24.019 13.868 2.467) 27.845 7.648 ( 11.239 6.489 -1.583) 13.073 7.872 ( 2.071 1.196 -5.023) 5.563 9.864 ( -0.951 -0.549 1.112) 1.563 10.070 ( -7.605 -4.391 -14.838) 17.242 11.497 ( -31.755 -18.334 12.496) 38.739 14.100 ( 1.412 0.815 -6.534) 6.735======================= Grid point 561 (193/417) =======================q-point: ( 0.50 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( 3.467 2.002 -0.258) 4.012 2.537 ( 13.120 7.575 2.564) 15.365 3.162 ( 9.037 5.218 -0.466) 10.446 3.195 ( -0.642 -0.371 -10.665) 10.691 3.782 ( -1.801 -1.040 3.797) 4.330 5.590 ( 15.937 9.201 1.295) 18.448 7.861 ( 7.541 4.354 -2.723) 9.123 8.028 ( 12.351 7.131 -6.361) 15.616 9.850 ( -7.209 -4.162 -9.059) 12.303 9.883 ( 1.720 0.993 2.109) 2.897 10.750 ( -33.854 -19.545 6.628) 39.649 14.148 ( 3.270 1.888 -0.944) 3.892======================= Grid point 562 (194/417) =======================q-point: ( 0.56 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 1.787 1.032 -0.610) 2.152 2.840 ( 12.097 6.984 1.802) 14.085 3.075 ( -5.368 -3.099 -14.822) 16.066 3.322 ( 4.707 2.718 -0.220) 5.440 3.764 ( -1.717 -0.991 7.453) 7.712 5.875 ( 8.242 4.758 0.686) 9.542 7.986 ( 4.129 2.384 -3.015) 5.641 8.379 ( 18.941 10.936 -8.365) 23.416 9.683 ( -7.362 -4.251 -1.281) 8.597 9.934 ( 1.543 0.891 2.548) 3.109 10.029 ( -25.950 -14.982 2.281) 30.051 14.226 ( 2.832 1.635 2.584) 4.168======================= Grid point 563 (195/417) =======================q-point: (-0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.219 ( 0.094 0.054 -0.710) 0.719 2.848 ( -8.485 -4.899 -10.456) 14.329 3.144 ( 12.514 7.225 -3.466) 14.860 3.379 ( 0.150 0.087 -0.068) 0.186 3.731 ( -3.509 -2.026 7.580) 8.595 5.976 ( 0.118 0.068 0.683) 0.696 8.041 ( 1.380 0.797 -2.422) 2.899 8.788 ( 13.884 8.016 -11.061) 19.477 9.333 ( -13.962 -8.061 5.970) 17.192 9.814 ( 2.978 1.719 0.186) 3.443 9.951 ( -1.010 -0.583 2.265) 2.548 14.287 ( 1.330 0.768 4.761) 5.003======================= Grid point 564 (196/417) =======================q-point: (-0.31 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.199 ( -1.660 -0.958 -0.627) 2.017 2.603 ( -9.625 -5.557 -8.943) 14.265 3.329 ( -4.347 -2.510 0.070) 5.020 3.412 ( 10.681 6.167 -6.882) 14.123 3.651 ( -4.773 -2.756 9.656) 11.118 5.882 ( -8.397 -4.848 1.092) 9.757 8.032 ( -1.852 -1.069 -1.215) 2.460 8.642 ( -15.789 -9.115 2.917) 18.463 9.548 ( 23.541 13.592 -8.762) 28.560 9.903 ( -3.254 -1.879 1.357) 3.995 9.991 ( 10.899 6.293 2.388) 12.810 14.323 ( 0.442 0.255 6.357) 6.378======================= Grid point 565 (197/417) =======================q-point: (-0.25 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( -3.544 -2.046 -0.368) 4.109 2.345 ( -10.477 -6.049 -5.894) 13.457 3.179 ( -8.482 -4.897 0.229) 9.797 3.423 ( -7.254 -4.188 -2.372) 8.705 3.735 ( 8.696 5.021 3.366) 10.591 5.590 ( -17.008 -9.820 1.463) 19.694 7.934 ( -6.676 -3.855 0.192) 7.712 8.324 ( -11.921 -6.882 6.919) 15.406 9.832 ( -2.469 -1.425 0.100) 2.853 10.119 ( 27.044 15.614 -9.472) 32.633 10.300 ( 14.432 8.332 -1.051) 16.698 14.360 ( 1.164 0.672 7.306) 7.429======================= Grid point 566 (198/417) =======================q-point: (-0.19 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( -5.858 -3.382 0.151) 6.766 2.071 ( -11.972 -6.912 -2.085) 13.981 2.942 ( -11.664 -6.734 0.369) 13.473 3.190 ( -11.951 -6.900 0.140) 13.801 3.935 ( 7.432 4.291 -1.098) 8.651 5.095 ( -25.795 -14.893 1.766) 29.838 7.716 ( -12.052 -6.958 1.196) 13.968 8.147 ( -4.929 -2.846 7.105) 9.104 9.814 ( 1.358 0.784 -0.944) 1.830 10.609 ( 11.695 6.752 -0.812) 13.528 10.747 ( 29.252 16.889 -10.616) 35.406 14.429 ( 2.727 1.574 6.557) 7.274======================= Grid point 567 (199/417) =======================q-point: (-0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( -14.188 -8.192 2.300) 16.544 1.855 ( -9.464 -5.464 1.243) 10.998 2.653 ( -12.654 -7.306 0.252) 14.614 2.872 ( -15.361 -8.869 0.585) 17.747 4.045 ( 0.862 0.498 -5.685) 5.772 4.421 ( -30.378 -17.539 4.217) 35.330 7.399 ( -14.883 -8.593 1.502) 17.251 8.146 ( 3.255 1.879 4.890) 6.168 9.890 ( 5.236 3.023 -1.395) 6.204 10.809 ( 6.160 3.556 -6.629) 9.723 11.420 ( 29.991 17.315 -2.748) 34.739 14.515 ( 2.851 1.646 3.056) 4.492======================= Grid point 572 (200/417) =======================q-point: ( 0.19 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.851 ( 0.000 20.451 14.828) 25.261 0.937 ( 0.000 22.564 17.670) 28.659 1.425 ( 0.000 26.212 31.438) 40.932 2.041 ( -0.000 3.593 -3.795) 5.226 2.157 ( -0.000 15.299 -4.148) 15.851 4.311 ( 0.000 -16.266 1.956) 16.383 6.633 ( 0.000 5.785 2.593) 6.339 8.143 ( -0.000 63.616 -39.294) 74.773 10.191 ( -0.000 -3.689 -10.725) 11.342 10.291 ( -0.000 -4.423 -1.597) 4.702 13.370 ( 0.000 -16.742 5.342) 17.573 14.003 ( -0.000 17.042 -13.918) 22.003======================= Grid point 573 (201/417) =======================q-point: ( 0.25 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 6.851 21.004 10.766) 24.577 1.241 ( 4.549 13.133 20.931) 25.126 1.981 ( 17.535 23.257 17.142) 33.797 2.099 ( 2.851 6.403 -4.058) 8.099 2.483 ( 16.335 25.811 -3.300) 30.724 4.157 ( -3.261 -5.129 -4.076) 7.318 6.756 ( 4.581 8.729 2.583) 10.191 8.613 ( 9.091 4.963 -9.602) 14.124 10.017 ( -7.164 6.063 -21.915) 23.840 10.257 ( -1.037 0.516 -6.591) 6.692 13.126 ( -7.397 -20.919 10.052) 24.359 14.172 ( 5.338 9.246 -16.404) 19.573======================= Grid point 574 (202/417) =======================q-point: ( 0.31 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 6.931 11.297 15.542) 20.426 1.541 ( 8.729 15.939 7.889) 19.811 2.249 ( 6.367 10.816 -3.918) 13.148 2.477 ( 14.405 12.997 8.728) 21.274 3.193 ( 28.611 29.304 -2.019) 41.005 4.070 ( -1.309 -0.242 -6.044) 6.189 6.980 ( 8.102 11.744 2.239) 14.442 8.470 ( -12.847 -13.377 3.090) 18.802 9.970 ( 2.686 -3.468 -13.014) 13.734 10.243 ( -1.175 8.793 -17.761) 19.853 12.782 ( -11.559 -21.982 15.211) 29.124 14.219 ( -0.950 3.322 -16.498) 16.856======================= Grid point 575 (203/417) =======================q-point: ( 0.38 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( 9.073 10.239 10.162) 17.042 1.832 ( 6.449 10.581 4.151) 13.068 2.514 ( 9.421 15.226 -2.439) 18.070 2.839 ( 11.742 8.878 5.433) 15.692 3.786 ( 9.724 7.049 -12.608) 17.413 4.229 ( 18.863 18.254 4.046) 26.559 7.277 ( 9.625 14.268 1.473) 17.274 8.104 ( -13.557 -8.845 -0.097) 16.187 9.910 ( 0.316 -6.770 -3.318) 7.546 10.226 ( -2.026 2.432 -19.743) 19.995 12.367 ( -16.502 -22.747 17.054) 32.873 14.138 ( -3.679 1.074 -14.376) 14.879======================= Grid point 576 (204/417) =======================q-point: ( 0.44 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.017 ( 3.758 7.720 1.520) 8.719 2.094 ( 11.083 9.388 6.177) 15.783 2.835 ( 9.182 15.193 -1.111) 17.786 3.090 ( 6.903 5.940 0.317) 9.112 3.816 ( 0.293 -0.317 -8.153) 8.164 4.870 ( 23.940 19.394 3.269) 30.983 7.592 ( 8.188 15.315 0.287) 17.369 7.878 ( -4.644 -1.761 -2.892) 5.747 9.853 ( 0.408 -3.651 -0.596) 3.722 10.086 ( -5.553 -4.425 -16.046) 17.546 11.830 ( -24.187 -23.002 13.132) 35.869 14.065 ( -0.439 0.203 -8.783) 8.796======================= Grid point 577 (205/417) =======================q-point: ( 0.50 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.139 ( 1.801 6.618 0.296) 6.865 2.402 ( 11.982 8.227 3.302) 14.905 3.085 ( 5.348 5.487 -3.484) 8.417 3.219 ( 1.643 10.636 -4.794) 11.782 3.797 ( -0.193 -0.606 0.651) 0.910 5.410 ( 17.695 13.097 1.979) 22.104 7.853 ( 5.518 12.673 -1.307) 13.884 7.900 ( 5.220 6.533 -4.121) 9.322 9.849 ( 1.214 -2.255 -1.179) 2.819 9.881 ( -5.264 -5.420 -8.906) 11.679 11.153 ( -30.659 -20.401 6.853) 37.459 14.076 ( 3.974 -1.042 -2.519) 4.819======================= Grid point 578 (206/417) =======================q-point: ( 0.56 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( 0.059 5.854 -0.353) 5.865 2.698 ( 12.170 7.130 1.084) 14.146 3.068 ( -2.759 -3.394 -11.998) 12.770 3.376 ( 0.279 14.686 -0.959) 14.720 3.796 ( -0.737 -0.806 6.116) 6.212 5.767 ( 10.984 7.175 1.186) 13.173 8.041 ( -0.626 14.992 -2.161) 15.160 8.131 ( 15.764 6.484 -5.871) 18.028 9.709 ( -2.843 -4.960 -5.775) 8.127 9.860 ( -0.315 -6.227 3.308) 7.058 10.458 ( -29.278 -9.634 2.039) 30.890 14.148 ( 5.889 -2.615 1.764) 6.680======================= Grid point 579 (207/417) =======================q-point: ( 0.62 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.257 ( -1.663 4.896 -0.665) 5.213 2.897 ( -6.542 -4.674 -10.333) 13.092 2.983 ( 12.218 6.565 -3.706) 14.357 3.482 ( -3.750 12.183 0.077) 12.748 3.781 ( -2.258 -1.790 7.111) 7.673 5.949 ( 4.162 1.847 0.839) 4.630 8.134 ( -4.104 13.454 -2.566) 14.298 8.495 ( 19.733 5.322 -8.681) 22.205 9.540 ( -16.147 -11.592 5.511) 20.627 9.705 ( 2.929 -6.896 -0.777) 7.533 10.130 ( -10.016 8.454 0.151) 13.108 14.226 ( 5.411 -3.909 4.220) 7.897======================= Grid point 580 (208/417) =======================q-point: (-0.31 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.254 ( -3.305 3.550 -0.732) 4.905 2.679 ( -8.600 -4.604 -9.821) 13.842 3.249 ( 12.028 5.566 -5.587) 14.383 3.488 ( -8.395 9.849 0.626) 12.956 3.722 ( -3.969 -3.295 7.751) 9.311 5.953 ( -3.579 -2.937 0.994) 4.736 8.155 ( -6.739 10.724 -1.978) 12.819 8.693 ( 0.545 -9.751 -4.889) 10.921 9.332 ( 5.973 4.936 0.290) 7.754 9.793 ( 8.666 -0.974 2.456) 9.060 10.092 ( -5.372 8.984 -0.440) 10.477 14.283 ( 4.163 -4.335 5.660) 8.257======================= Grid point 581 (209/417) =======================q-point: (-0.25 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.208 ( -4.807 1.767 -0.577) 5.154 2.448 ( -9.709 -4.092 -6.790) 12.535 3.375 ( -9.587 4.629 -0.877) 10.682 3.439 ( -0.363 3.107 -7.378) 8.014 3.676 ( 1.907 -0.806 9.090) 9.323 5.769 ( -12.139 -6.900 1.395) 14.032 8.094 ( -9.857 6.332 -0.656) 11.734 8.447 ( -9.979 -10.951 3.828) 15.302 9.668 ( 17.359 2.952 -6.191) 18.665 9.946 ( 7.386 8.235 -0.945) 11.102 10.185 ( 7.359 8.800 -0.204) 11.474 14.328 ( 3.698 -3.511 6.295) 8.101======================= Grid point 582 (210/417) =======================q-point: (-0.19 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( -6.370 -0.616 -0.157) 6.402 2.213 ( -11.112 -3.270 -3.006) 11.967 3.178 ( -16.360 3.607 0.633) 16.765 3.311 ( -8.899 -5.081 -2.264) 10.494 3.829 ( 8.596 3.005 0.687) 9.132 5.394 ( -21.520 -10.211 1.738) 23.883 7.924 ( -14.218 1.392 0.763) 14.306 8.222 ( -6.563 -6.707 5.765) 11.013 9.771 ( 2.266 -2.566 -1.199) 3.627 10.361 ( 21.556 14.676 -20.991) 33.477 10.481 ( 16.742 7.506 11.033) 21.409 14.389 ( 4.264 -1.839 5.488) 7.189======================= Grid point 583 (211/417) =======================q-point: (-0.12 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.939 ( -11.806 -4.971 1.351) 12.881 1.996 ( -10.166 -0.829 0.656) 10.220 2.895 ( -18.335 0.977 0.377) 18.365 3.052 ( -13.305 -6.360 0.040) 14.747 3.983 ( 5.789 2.073 -3.822) 7.240 4.824 ( -30.606 -12.613 2.576) 33.203 7.635 ( -17.934 -2.473 1.509) 18.167 8.134 ( 0.049 -2.337 4.774) 5.315 9.805 ( 4.559 -0.570 -1.537) 4.845 10.653 ( 11.569 3.972 -16.394) 20.454 11.063 ( 28.756 14.162 6.835) 32.774 14.469 ( 4.402 -0.650 2.357) 5.035======================= Grid point 589 (212/417) =======================q-point: ( 0.25 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( 0.000 19.410 10.121) 21.891 1.416 ( 0.000 14.312 19.320) 24.044 2.126 ( -0.000 7.784 -4.597) 9.040 2.136 ( 0.000 24.024 14.577) 28.100 2.645 ( -0.000 36.208 -2.421) 36.289 4.119 ( -0.000 -3.905 -5.790) 6.983 6.824 ( 0.000 11.382 2.533) 11.660 8.554 ( -0.000 0.383 -2.542) 2.570 10.158 ( -0.000 -7.358 -1.673) 7.546 10.171 ( -0.000 11.797 -29.501) 31.773 12.971 ( 0.000 -26.772 11.736) 29.231 14.183 ( -0.000 10.790 -15.773) 19.110======================= Grid point 590 (213/417) =======================q-point: ( 0.31 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 3.440 14.486 10.924) 18.466 1.632 ( 2.973 13.906 13.520) 19.621 2.254 ( 5.188 12.100 -4.192) 13.816 2.459 ( 7.381 17.007 8.551) 20.416 3.151 ( 13.323 36.937 -2.249) 39.330 4.070 ( -0.617 1.156 -6.331) 6.465 7.006 ( 5.028 14.122 2.467) 15.192 8.485 ( -3.565 -11.821 4.066) 12.999 9.955 ( -7.395 -2.257 -11.022) 13.464 10.248 ( 2.630 4.893 -20.612) 21.347 12.697 ( -3.732 -28.591 14.806) 32.412 14.231 ( -0.437 6.936 -15.597) 17.075======================= Grid point 591 (214/417) =======================q-point: ( 0.38 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( 4.440 10.933 10.586) 15.852 1.870 ( 4.566 11.508 6.543) 14.004 2.524 ( 8.842 17.772 -2.474) 20.003 2.772 ( 8.986 11.558 5.253) 15.554 3.666 ( 10.474 14.846 -10.557) 21.013 4.188 ( 9.121 18.947 1.433) 21.077 7.293 ( 8.332 17.280 2.573) 19.356 8.233 ( -11.219 -10.542 1.799) 15.499 9.822 ( -0.848 -4.583 -6.886) 8.315 10.221 ( -1.443 -0.134 -18.402) 18.459 12.359 ( -7.415 -29.228 16.299) 34.277 14.190 ( -4.469 3.628 -14.399) 15.507======================= Grid point 592 (215/417) =======================q-point: ( 0.44 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( 5.534 9.958 3.657) 11.965 2.064 ( 4.881 9.188 7.106) 12.599 2.854 ( 7.515 16.541 -0.768) 18.185 3.038 ( 8.445 9.987 0.643) 13.095 3.773 ( 1.787 1.756 -9.418) 9.746 4.720 ( 18.929 24.702 3.294) 31.294 7.638 ( 7.981 19.097 2.417) 20.838 7.973 ( -8.823 -2.786 -1.122) 9.320 9.775 ( 2.254 -4.204 -3.850) 6.130 10.081 ( -4.758 -5.275 -15.145) 16.729 11.938 ( -13.161 -28.810 13.962) 34.614 14.084 ( -4.779 1.207 -10.886) 11.950======================= Grid point 593 (216/417) =======================q-point: ( 0.50 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.196 ( 1.593 8.881 1.446) 9.137 2.314 ( 9.246 8.585 4.723) 13.473 3.041 ( 3.283 2.805 -3.684) 5.676 3.306 ( 5.301 18.849 -2.881) 19.791 3.791 ( 0.985 1.432 -1.220) 2.123 5.262 ( 16.756 16.998 2.189) 23.968 7.832 ( 0.944 2.944 -1.200) 3.317 8.013 ( 2.995 20.922 0.819) 21.151 9.775 ( 2.424 -3.829 -5.290) 6.965 9.886 ( -4.802 -5.411 -8.023) 10.803 11.402 ( -20.446 -25.204 8.226) 33.480 14.007 ( -0.249 -1.804 -5.512) 5.805======================= Grid point 594 (217/417) =======================q-point: ( 0.56 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.300 ( -0.329 8.687 0.508) 8.708 2.578 ( 10.331 7.305 1.881) 12.792 3.036 ( -0.881 -2.564 -9.071) 9.467 3.541 ( 0.796 17.071 -1.585) 17.163 3.832 ( -0.253 4.308 4.338) 6.119 5.651 ( 11.937 8.967 1.566) 15.011 7.951 ( 9.129 4.941 -2.346) 10.642 8.258 ( -1.374 22.223 0.287) 22.267 9.661 ( -1.926 -7.780 -8.742) 11.860 9.842 ( -0.525 -1.488 2.257) 2.754 10.809 ( -23.396 -15.515 2.165) 28.157 14.005 ( 4.925 -5.119 -0.673) 7.135======================= Grid point 595 (218/417) =======================q-point: ( 0.62 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.361 ( -2.431 8.043 -0.193) 8.405 2.833 ( 11.008 6.112 -1.244) 12.652 2.922 ( -4.616 -3.377 -10.376) 11.847 3.660 ( -1.025 6.731 3.068) 7.468 3.885 ( -4.973 11.840 2.865) 13.158 5.876 ( 6.929 2.318 1.231) 7.410 8.202 ( 13.790 3.834 -4.737) 15.076 8.414 ( -5.071 21.043 0.129) 21.646 9.577 ( 2.867 -5.574 -3.768) 7.314 9.703 ( -11.997 -8.426 4.796) 15.424 10.397 ( -13.472 1.674 -2.011) 13.724 14.058 ( 7.627 -7.485 2.455) 10.965======================= Grid point 596 (219/417) =======================q-point: (-0.31 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( -4.423 6.241 -0.630) 7.675 2.754 ( -7.373 -2.041 -9.351) 12.081 3.078 ( 11.437 4.774 -4.203) 13.086 3.677 ( -1.578 -1.102 7.106) 7.362 3.893 ( -11.097 15.703 0.234) 19.230 5.950 ( 1.217 -2.664 1.116) 3.135 8.354 ( 0.803 1.305 -5.337) 5.553 8.565 ( 1.261 12.716 -0.360) 12.784 9.404 ( -9.168 -3.340 2.657) 10.113 9.650 ( 7.305 0.730 1.529) 7.499 10.280 ( -7.041 6.493 -2.857) 9.995 14.126 ( 7.903 -8.223 4.100) 12.120======================= Grid point 597 (220/417) =======================q-point: (-0.25 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.327 ( -5.861 3.107 -0.766) 6.678 2.572 ( -9.396 0.183 -6.424) 11.383 3.286 ( 9.225 2.321 -8.122) 12.508 3.651 ( -1.033 -2.655 9.719) 10.128 3.805 ( -16.095 14.008 -0.710) 21.349 5.871 ( -5.864 -5.740 1.213) 8.295 8.282 ( -4.538 -4.616 -1.671) 6.685 8.564 ( -11.369 5.506 1.496) 12.720 9.455 ( 10.255 7.160 -3.016) 12.866 9.849 ( 10.465 5.162 3.424) 12.161 10.227 ( -3.377 4.825 -4.096) 7.173 14.194 ( 7.321 -7.271 4.501) 11.257======================= Grid point 598 (221/417) =======================q-point: (-0.19 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( -6.825 -0.082 -0.224) 6.829 2.388 ( -11.086 1.837 -3.125) 11.663 3.332 ( -1.382 -3.068 -5.592) 6.526 3.601 ( -20.477 11.015 -0.465) 23.256 3.716 ( 6.553 -0.110 5.009) 8.248 5.632 ( -14.569 -7.144 1.388) 16.285 8.128 ( -5.842 -6.372 1.436) 8.763 8.370 ( -15.683 3.605 2.398) 16.269 9.682 ( 6.682 2.654 -3.277) 7.901 10.135 ( 13.341 10.666 -7.804) 18.779 10.312 ( 11.243 3.944 3.210) 12.340 14.269 ( 7.065 -5.264 3.408) 9.446======================= Grid point 599 (222/417) =======================q-point: (-0.12 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.087 ( -8.758 -1.648 1.544) 9.045 2.197 ( -12.004 1.564 -0.411) 12.113 3.187 ( -8.531 -4.256 -1.505) 9.652 3.300 ( -22.809 5.708 -0.162) 23.513 3.868 ( 7.945 1.229 -1.419) 8.164 5.221 ( -24.582 -7.351 1.770) 25.719 7.942 ( -13.764 -1.532 1.854) 13.973 8.150 ( -7.870 -2.757 2.430) 8.686 9.739 ( 1.665 0.478 -1.764) 2.473 10.402 ( 13.911 3.577 -19.668) 24.355 10.753 ( 24.571 10.315 13.034) 29.665 14.354 ( 6.816 -3.558 0.417) 7.700======================= Grid point 606 (223/417) =======================q-point: ( 0.31 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( 0.000 12.443 6.105) 13.860 1.784 ( 0.000 11.243 15.148) 18.865 2.314 ( -0.000 13.773 -4.030) 14.350 2.603 ( 0.000 17.202 6.600) 18.424 3.405 ( -0.000 33.233 -4.693) 33.563 4.096 ( -0.000 8.726 -4.240) 9.702 7.112 ( 0.000 15.263 1.684) 15.355 8.420 ( 0.000 -10.443 5.017) 11.585 9.990 ( -0.000 -7.720 -1.173) 7.808 10.153 ( -0.000 3.404 -29.747) 29.941 12.470 ( 0.000 -31.289 16.215) 35.241 14.265 ( -0.000 7.440 -14.311) 16.130======================= Grid point 607 (224/417) =======================q-point: ( 0.38 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 3.221 8.964 4.582) 10.570 1.948 ( 1.744 9.708 11.594) 15.222 2.533 ( 8.334 16.975 -2.572) 19.084 2.807 ( 3.133 13.009 3.745) 13.895 3.663 ( 3.183 12.888 -10.404) 16.866 4.300 ( 4.629 26.655 1.788) 27.113 7.338 ( 6.723 16.718 1.493) 18.081 8.287 ( -5.561 -8.663 2.388) 10.567 9.826 ( -6.214 -4.363 -5.771) 9.537 10.122 ( 3.238 -4.295 -19.955) 20.667 12.178 ( -2.528 -32.506 16.541) 36.560 14.264 ( -3.231 5.567 -12.980) 14.488======================= Grid point 608 (225/417) =======================q-point: ( 0.44 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( 5.445 8.089 3.037) 10.213 2.112 ( 2.927 8.005 8.536) 12.063 2.883 ( 8.561 16.557 -1.089) 18.671 2.993 ( 7.329 9.228 -0.666) 11.803 3.744 ( 1.550 4.389 -8.175) 9.407 4.745 ( 10.451 29.091 2.729) 31.031 7.680 ( 10.328 18.290 2.107) 21.110 8.094 ( -8.180 -2.971 -1.085) 8.770 9.706 ( -1.054 -3.047 -4.939) 5.898 10.025 ( -1.056 -7.379 -14.251) 16.083 11.827 ( -5.678 -32.821 14.554) 36.349 14.178 ( -6.872 3.120 -11.003) 13.343======================= Grid point 609 (226/417) =======================q-point: ( 0.50 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( 4.588 8.382 1.551) 9.681 2.277 ( 5.704 6.981 6.409) 11.061 3.011 ( 1.197 1.833 -4.163) 4.703 3.348 ( 11.537 18.778 -2.597) 22.191 3.793 ( 1.485 4.244 -1.261) 4.670 5.207 ( 11.482 20.997 1.872) 24.004 7.889 ( -3.394 3.512 -0.565) 4.917 8.142 ( 7.752 19.715 1.616) 21.246 9.671 ( 1.737 -4.406 -6.715) 8.217 9.879 ( -2.736 -4.622 -7.750) 9.429 11.409 ( -9.869 -30.534 10.255) 33.688 14.037 ( -6.764 0.017 -7.843) 10.356======================= Grid point 610 (227/417) =======================q-point: ( 0.56 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.384 ( 1.603 8.155 2.375) 8.644 2.494 ( 8.524 6.949 2.046) 11.186 2.994 ( -0.344 -2.180 -7.033) 7.371 3.637 ( 3.122 10.508 -2.009) 11.144 3.918 ( 3.749 13.210 3.156) 14.089 5.560 ( 9.496 10.900 1.317) 14.516 7.905 ( 1.855 5.509 -0.263) 5.819 8.480 ( 3.712 21.971 2.315) 22.403 9.572 ( -1.268 -8.934 -9.492) 13.097 9.852 ( 0.684 2.711 -0.326) 2.815 10.949 ( -13.323 -22.948 4.545) 26.922 13.916 ( -2.088 -4.064 -3.914) 6.016======================= Grid point 611 (228/417) =======================q-point: ( 0.62 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.481 ( -0.889 8.197 1.010) 8.307 2.716 ( 9.040 5.952 -0.575) 10.839 2.922 ( -2.143 -2.534 -7.676) 8.363 3.694 ( -0.467 -0.474 3.285) 3.352 4.152 ( -1.116 22.702 0.770) 22.742 5.770 ( 7.125 1.600 1.172) 7.396 8.053 ( 7.430 5.894 -0.292) 9.488 8.705 ( -2.617 19.154 1.777) 19.413 9.454 ( 1.404 -7.724 -6.206) 10.007 9.846 ( -6.672 1.349 3.127) 7.491 10.576 ( -9.908 -7.682 -1.522) 12.629 13.866 ( 4.114 -7.928 -0.389) 8.940======================= Grid point 612 (229/417) =======================q-point: ( 0.69 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.513 ( -4.085 6.135 -0.503) 7.388 2.830 ( -4.483 0.723 -6.514) 7.940 2.926 ( 9.624 4.447 -3.380) 11.127 3.668 ( -0.443 -5.286 6.377) 8.295 4.298 ( -9.668 24.015 -0.514) 25.893 5.860 ( 4.868 -4.932 1.196) 7.032 8.220 ( 6.275 0.166 -2.012) 6.592 8.811 ( -4.476 15.239 2.158) 16.029 9.417 ( 2.603 -7.084 -3.439) 8.294 9.712 ( -9.303 6.798 5.192) 12.638 10.430 ( -5.508 2.607 -4.686) 7.687 13.891 ( 8.433 -9.785 1.814) 13.044======================= Grid point 613 (230/417) =======================q-point: (-0.25 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.459 ( -6.222 2.263 -1.041) 6.702 2.736 ( -7.877 4.962 -4.502) 10.341 3.117 ( 9.647 2.683 -6.659) 12.025 3.627 ( 0.491 -6.788 8.365) 10.783 4.286 ( -17.217 20.406 -0.799) 26.711 5.854 ( 1.029 -7.315 1.160) 7.477 8.221 ( -0.416 -7.488 -1.452) 7.639 8.869 ( -7.776 11.354 2.542) 13.994 9.390 ( 3.589 0.899 -2.959) 4.737 9.794 ( 4.032 11.716 5.058) 13.383 10.333 ( -6.502 1.168 -5.697) 8.724 13.965 ( 9.942 -9.105 2.315) 13.679======================= Grid point 614 (231/417) =======================q-point: (-0.19 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.352 ( -7.043 0.493 0.176) 7.062 2.612 ( -11.068 5.186 -2.709) 12.519 3.249 ( 5.536 -0.075 -8.565) 10.199 3.628 ( 3.789 -4.196 8.104) 9.881 4.106 ( -22.326 13.314 -0.378) 25.998 5.750 ( -5.722 -6.156 1.070) 8.473 8.102 ( -2.542 -8.374 0.629) 8.774 8.742 ( -16.384 5.938 2.258) 17.573 9.567 ( 10.600 6.066 -4.772) 13.112 10.059 ( 8.432 12.508 4.864) 15.849 10.212 ( -0.932 -3.281 -5.469) 6.445 14.064 ( 9.759 -6.903 1.068) 12.002======================= Grid point 615 (232/417) =======================q-point: (-0.12 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.231 ( -7.751 0.467 2.230) 8.079 2.437 ( -12.775 2.810 -1.004) 13.119 3.240 ( -2.313 -1.844 -5.442) 6.194 3.724 ( 4.894 -0.374 0.690) 4.957 3.790 ( -21.863 5.192 1.954) 22.556 5.523 ( -15.250 -3.658 1.162) 15.726 7.991 ( -2.106 -5.652 0.607) 6.062 8.459 ( -20.451 1.403 2.066) 20.603 9.734 ( 2.364 3.793 -2.817) 5.283 10.152 ( 8.062 -1.164 -14.345) 16.496 10.494 ( 19.865 8.422 11.817) 24.601 14.169 ( 8.893 -4.839 -1.732) 10.272======================= Grid point 623 (233/417) =======================q-point: ( 0.38 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( 0.000 6.562 2.252) 6.938 2.063 ( 0.000 7.973 11.076) 13.647 2.611 ( -0.000 16.501 -2.138) 16.639 2.916 ( 0.000 10.557 0.646) 10.577 3.708 ( -0.000 7.325 -9.483) 11.983 4.572 ( 0.000 32.561 2.597) 32.665 7.433 ( -0.000 15.056 -0.117) 15.057 8.270 ( 0.000 -5.471 0.129) 5.473 9.857 ( 0.000 -4.420 0.077) 4.421 9.935 ( -0.000 -7.177 -22.057) 23.195 11.915 ( 0.000 -33.927 16.117) 37.561 14.316 ( -0.000 5.930 -11.155) 12.634======================= Grid point 624 (234/417) =======================q-point: ( 0.44 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( 4.233 5.532 1.176) 7.064 2.177 ( 1.252 6.270 9.251) 11.246 2.866 ( 10.247 16.408 -1.375) 19.394 2.997 ( 0.502 5.186 -3.523) 6.289 3.755 ( 0.671 5.836 -5.527) 8.066 4.939 ( 3.635 30.411 2.163) 30.704 7.664 ( 9.557 14.288 -0.356) 17.193 8.179 ( -4.877 -1.884 -3.712) 6.412 9.712 ( -4.535 -4.164 -7.059) 9.367 9.890 ( 3.048 -6.111 -8.183) 10.659 11.597 ( -2.252 -34.547 13.979) 37.336 14.296 ( -5.067 4.801 -9.517) 11.803======================= Grid point 625 (235/417) =======================q-point: ( 0.50 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 7.391 5.820 0.570) 9.425 2.296 ( 2.724 4.908 7.711) 9.537 3.006 ( -0.491 0.970 -6.090) 6.186 3.270 ( 15.718 16.044 -1.683) 22.523 3.815 ( 1.012 5.233 -0.764) 5.385 5.299 ( 4.991 23.432 1.420) 24.000 7.971 ( 2.470 7.541 -1.440) 8.064 8.138 ( 7.624 9.860 -2.675) 12.747 9.598 ( -1.276 -5.539 -6.439) 8.589 9.849 ( -0.282 -1.234 -3.999) 4.195 11.234 ( -4.222 -33.318 10.719) 35.253 14.176 ( -9.444 2.693 -7.863) 12.581======================= Grid point 626 (236/417) =======================q-point: ( 0.56 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( 7.351 6.914 0.900) 10.132 2.421 ( 4.960 3.789 5.095) 8.057 2.966 ( -1.088 -1.522 -6.548) 6.810 3.650 ( 7.689 11.386 -2.307) 13.931 3.934 ( 7.872 8.980 2.722) 12.248 5.574 ( 3.746 14.178 0.904) 14.693 7.970 ( -2.152 5.739 -1.681) 6.356 8.532 ( 13.963 16.140 0.916) 21.361 9.484 ( -1.899 -7.584 -6.784) 10.351 9.865 ( 1.527 4.653 -1.541) 5.134 10.861 ( -5.342 -28.347 6.998) 29.683 13.988 ( -10.081 -0.373 -5.743) 11.608======================= Grid point 627 (237/417) =======================q-point: ( 0.62 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.538 ( 2.988 4.391 3.924) 6.604 2.628 ( 8.298 6.665 -1.255) 10.717 2.904 ( -1.353 -2.138 -5.390) 5.954 3.723 ( -2.153 0.746 1.047) 2.507 4.291 ( 11.381 18.899 0.900) 22.079 5.712 ( 1.544 3.686 0.664) 4.052 8.042 ( 2.521 7.284 0.710) 7.740 8.861 ( 5.008 13.255 1.421) 14.241 9.352 ( -1.484 -7.305 -5.691) 9.379 9.959 ( 0.504 7.386 0.154) 7.405 10.560 ( -2.843 -16.979 2.449) 17.389 13.806 ( -5.778 -4.191 -3.070) 7.770======================= Grid point 628 (238/417) =======================q-point: ( 0.69 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.615 ( -0.849 4.049 0.530) 4.171 2.809 ( 5.618 2.461 -0.812) 6.187 2.873 ( 1.336 3.523 -4.854) 6.145 3.660 ( -3.052 -4.451 3.402) 6.380 4.633 ( 1.662 23.563 -0.199) 23.622 5.723 ( 2.094 -6.826 0.778) 7.182 8.168 ( 2.949 4.479 1.092) 5.473 8.985 ( -1.848 7.609 1.534) 7.979 9.275 ( 2.668 -6.496 -4.204) 8.185 9.978 ( -7.470 8.731 4.235) 12.246 10.464 ( 1.233 -2.267 -3.444) 4.303 13.703 ( 1.647 -7.218 -0.561) 7.425======================= Grid point 629 (239/417) =======================q-point: (-0.25 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.582 ( -5.536 1.978 -0.705) 5.921 2.864 ( 0.158 2.384 -0.283) 2.406 2.993 ( 5.042 6.908 -6.751) 10.896 3.571 ( -0.838 -7.919 5.842) 9.877 4.775 ( -12.936 22.324 -0.689) 25.811 5.694 ( 6.012 -11.691 0.990) 13.183 8.193 ( -1.961 -1.942 0.560) 2.817 9.032 ( -1.240 6.002 2.307) 6.548 9.275 ( 5.353 -4.100 -3.786) 7.732 9.975 ( -5.221 11.675 5.648) 13.981 10.430 ( -4.646 1.401 -5.596) 7.407 13.715 ( 7.995 -7.457 0.466) 10.943======================= Grid point 630 (240/417) =======================q-point: (-0.19 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.487 ( -6.925 1.501 0.957) 7.150 2.834 ( -7.734 4.271 -1.624) 8.983 3.122 ( 6.067 3.645 -8.531) 11.085 3.534 ( 3.346 -7.186 7.664) 11.025 4.625 ( -22.308 11.038 -0.382) 24.892 5.705 ( 4.200 -6.193 0.818) 7.528 8.102 ( -4.276 -3.566 1.256) 5.708 9.002 ( -7.973 1.012 1.522) 8.180 9.402 ( 10.955 2.741 -3.846) 11.930 10.066 ( 3.209 3.943 4.140) 6.556 10.298 ( -9.580 3.917 -3.811) 11.029 13.818 ( 10.458 -5.254 -0.571) 11.717======================= Grid point 631 (241/417) =======================q-point: (-0.12 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.383 ( -7.405 1.649 2.852) 8.105 2.680 ( -12.071 1.835 -1.048) 12.254 3.206 ( 2.931 2.075 -8.775) 9.481 3.592 ( 6.679 -3.668 5.884) 9.627 4.260 ( -24.841 0.485 0.333) 24.848 5.678 ( -4.569 -0.535 0.732) 4.658 8.007 ( -4.042 -1.071 0.752) 4.249 8.791 ( -15.888 -2.099 1.451) 16.092 9.632 ( 11.721 3.502 -5.246) 13.311 10.032 ( -1.042 -9.682 -5.736) 11.302 10.361 ( 7.222 10.612 7.774) 15.007 13.953 ( 9.825 -2.748 -2.959) 10.622======================= Grid point 640 (242/417) =======================q-point: ( 0.44 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( 0.000 4.157 0.458) 4.182 2.249 ( 0.000 4.377 8.237) 9.328 2.918 ( -0.000 14.346 -1.055) 14.385 3.017 ( -0.000 2.012 -6.614) 6.913 3.801 ( -0.000 6.519 -2.281) 6.906 5.213 ( 0.000 27.487 1.379) 27.522 7.687 ( -0.000 10.243 -1.950) 10.427 8.193 ( -0.000 -0.211 -7.905) 7.908 9.656 ( -0.000 -8.408 -9.579) 12.746 9.832 ( 0.000 1.610 1.419) 2.146 11.305 ( 0.000 -35.084 11.715) 36.988 14.368 ( -0.000 5.266 -7.838) 9.443======================= Grid point 641 (243/417) =======================q-point: ( 0.50 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.136 ( 5.202 3.767 0.145) 6.424 2.322 ( 1.509 2.912 7.450) 8.140 2.997 ( -0.486 -0.292 -7.571) 7.592 3.159 ( 11.659 12.938 -0.850) 17.437 3.861 ( -0.014 5.598 0.074) 5.599 5.482 ( 1.484 21.828 0.631) 21.888 7.888 ( 12.350 8.483 -1.675) 15.077 8.143 ( -2.138 2.026 -9.370) 9.822 9.550 ( -1.488 -5.506 -3.556) 6.721 9.863 ( -0.468 3.650 0.672) 3.741 10.972 ( -1.425 -33.883 8.731) 35.019 14.338 ( -6.617 4.437 -6.608) 10.350======================= Grid point 642 (244/417) =======================q-point: ( 0.56 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( 8.979 3.889 -0.239) 9.788 2.412 ( 3.210 2.053 7.082) 8.042 2.953 ( -1.038 -0.902 -6.448) 6.593 3.548 ( 16.696 12.105 -1.354) 20.667 3.912 ( 1.218 3.318 1.493) 3.837 5.694 ( 0.749 15.035 0.309) 15.057 8.055 ( -1.913 5.011 -4.795) 7.195 8.331 ( 21.062 8.452 -2.543) 22.836 9.458 ( -3.220 -3.554 -1.490) 5.022 9.895 ( -0.282 4.215 -0.362) 4.239 10.647 ( -1.486 -28.966 6.385) 29.698 14.188 ( -12.044 2.727 -5.533) 13.532======================= Grid point 643 (245/417) =======================q-point: ( 0.62 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( 6.805 1.463 1.248) 7.071 2.541 ( 7.881 4.326 3.974) 9.829 2.903 ( -1.827 -0.632 -4.414) 4.818 3.783 ( -1.371 3.672 -1.096) 4.070 4.144 ( 19.768 8.980 1.314) 21.752 5.795 ( -2.897 7.510 0.158) 8.051 8.085 ( 0.650 6.141 -1.471) 6.349 8.777 ( 17.396 8.160 -1.291) 19.258 9.349 ( -5.272 -2.422 -1.255) 5.935 9.953 ( 4.809 1.937 -2.324) 5.681 10.407 ( -0.219 -17.956 5.764) 18.860 13.957 ( -13.661 0.467 -4.029) 14.250======================= Grid point 644 (246/417) =======================q-point: ( 0.69 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.599 ( 4.835 0.199 1.763) 5.150 2.758 ( 7.957 6.148 0.599) 10.073 2.854 ( -1.059 -0.321 -2.044) 2.324 3.714 ( -5.768 -1.710 -0.171) 6.018 4.625 ( 20.156 12.629 0.358) 23.789 5.735 ( -7.690 -0.950 0.028) 7.748 8.176 ( 2.466 4.593 0.646) 5.253 9.027 ( 5.096 4.009 -0.947) 6.553 9.224 ( -4.848 -2.945 -1.043) 5.767 10.091 ( 5.897 3.971 -2.924) 7.688 10.335 ( 4.822 -6.207 4.556) 9.085 13.726 ( -9.852 -1.698 -1.960) 10.187======================= Grid point 645 (247/417) =======================q-point: ( 0.75 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.661 ( 0.241 0.776 0.015) 0.812 2.813 ( 0.965 0.157 -0.309) 1.025 2.985 ( 7.040 6.822 -0.748) 9.832 3.570 ( -6.095 -5.457 0.798) 8.219 5.064 ( 10.896 17.656 -0.133) 20.747 5.522 ( -7.793 -12.078 0.230) 14.376 8.221 ( -0.855 -0.098 0.473) 0.982 9.102 ( -1.078 4.281 1.714) 4.736 9.148 ( 2.562 -3.302 -2.535) 4.888 10.137 ( -2.854 2.038 1.290) 3.737 10.443 ( 5.347 2.018 -0.914) 5.788 13.598 ( -1.453 -2.219 -0.312) 2.671======================= Grid point 646 (248/417) =======================q-point: (-0.19 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( -5.397 1.639 1.444) 5.822 2.861 ( 3.787 -1.182 -1.736) 4.331 3.138 ( 0.633 9.769 -4.300) 10.692 3.432 ( -0.435 -8.839 4.227) 9.808 5.082 ( -21.473 1.219 -0.364) 21.511 5.496 ( 14.194 -1.436 0.500) 14.276 8.167 ( -3.818 -0.787 1.057) 4.039 9.068 ( -1.795 -3.101 -0.304) 3.596 9.262 ( 7.115 4.850 -0.944) 8.662 10.062 ( -3.603 -6.357 0.367) 7.317 10.489 ( -3.973 5.842 -0.111) 7.066 13.630 ( 6.204 -0.274 -0.576) 6.237======================= Grid point 647 (249/417) =======================q-point: (-0.12 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.534 ( -6.772 1.109 2.846) 7.429 2.845 ( -4.887 -1.062 -0.917) 5.085 3.177 ( -0.427 6.208 -9.693) 11.519 3.451 ( 7.040 -4.981 7.456) 11.400 4.636 ( -22.383 -10.054 0.090) 24.537 5.694 ( 4.538 4.946 0.391) 6.724 8.109 ( -4.653 3.574 1.437) 6.040 8.957 ( -7.058 -5.410 -0.344) 8.900 9.450 ( 9.495 3.844 -2.433) 10.528 9.901 ( -1.090 -14.089 -1.847) 14.251 10.471 ( -4.174 5.942 3.218) 7.943 13.775 ( 8.659 2.349 -2.353) 9.275======================= Grid point 657 (250/417) =======================q-point: ( 0.50 0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( 0.000 2.743 0.080) 2.744 2.352 ( 0.000 1.293 7.005) 7.123 2.971 ( -0.000 -0.763 -7.076) 7.117 3.164 ( -0.000 10.235 -0.498) 10.247 3.919 ( 0.000 4.867 0.540) 4.897 5.671 ( -0.000 17.349 -0.237) 17.350 7.823 ( -0.000 4.872 -1.998) 5.266 8.152 ( -0.000 2.381 -10.652) 10.915 9.523 ( 0.000 -1.785 1.086) 2.089 9.923 ( 0.000 5.526 1.358) 5.691 10.666 ( 0.000 -32.890 5.505) 33.347 14.427 ( -0.000 4.644 -5.498) 7.197======================= Grid point 658 (251/417) =======================q-point: ( 0.56 0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.198 ( 5.825 2.327 0.045) 6.272 2.399 ( 1.979 0.311 7.282) 7.552 2.942 ( -0.443 -0.126 -5.247) 5.267 3.371 ( 12.733 8.296 -0.465) 15.204 3.952 ( -1.014 2.780 0.301) 2.975 5.824 ( 0.420 12.201 -0.503) 12.219 8.006 ( 15.462 4.653 -0.802) 16.166 8.140 ( -0.567 3.574 -7.690) 8.499 9.507 ( -2.764 1.538 2.778) 4.210 9.955 ( -2.559 2.683 0.027) 3.708 10.377 ( 1.701 -26.848 3.166) 27.088 14.386 ( -7.696 3.779 -4.783) 9.818======================= Grid point 659 (252/417) =======================q-point: ( 0.62 0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( 9.223 1.742 -0.535) 9.402 2.477 ( 4.338 -0.167 7.533) 8.695 2.921 ( -1.145 1.182 -2.934) 3.364 3.735 ( 16.869 7.258 -1.486) 18.424 3.952 ( 1.826 -0.171 0.503) 1.902 5.915 ( -1.602 7.063 -0.413) 7.254 8.138 ( -1.062 5.403 -1.897) 5.824 8.441 ( 25.309 4.385 -1.560) 25.733 9.464 ( -6.344 3.380 2.396) 7.577 9.858 ( -0.997 -10.694 -2.696) 11.074 10.261 ( 3.531 -8.635 3.598) 9.998 14.212 ( -13.710 2.578 -3.905) 14.486======================= Grid point 660 (253/417) =======================q-point: ( 0.69 0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.499 ( 6.121 -1.086 0.410) 6.230 2.630 ( 10.375 1.430 4.826) 11.532 2.903 ( -2.517 2.550 -0.503) 3.619 3.805 ( -5.535 0.002 -2.705) 6.161 4.278 ( 25.895 3.211 0.754) 26.105 5.888 ( -6.959 2.063 -0.537) 7.278 8.182 ( 0.793 3.254 0.410) 3.375 8.872 ( 16.796 3.419 -1.826) 17.238 9.350 ( -9.192 0.486 1.318) 9.298 9.845 ( 12.780 -5.471 -3.618) 14.364 10.278 ( 1.824 -2.199 4.748) 5.542 13.959 ( -15.677 1.755 -2.330) 15.947======================= Grid point 661 (254/417) =======================q-point: (-0.25 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( 5.472 -2.444 -0.358) 6.003 2.848 ( 7.744 -0.126 1.460) 7.882 2.890 ( 0.165 5.221 3.501) 6.288 3.661 ( -8.071 -2.139 -3.315) 8.984 4.763 ( 25.918 -0.079 0.502) 25.923 5.711 ( -13.397 -0.434 -0.681) 13.422 8.206 ( 0.669 -1.801 -0.667) 2.034 9.069 ( 5.272 1.344 -1.420) 5.623 9.215 ( -6.554 1.931 2.250) 7.194 10.086 ( 11.230 1.234 -5.762) 12.683 10.315 ( 5.882 -2.795 6.183) 8.980 13.723 ( -11.813 2.241 -0.310) 12.028======================= Grid point 662 (255/417) =======================q-point: (-0.19 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.636 ( 3.903 -2.969 -1.562) 5.147 2.844 ( -2.565 2.131 1.745) 3.763 3.096 ( 10.204 2.522 4.425) 11.405 3.472 ( -9.137 -2.263 -4.111) 10.271 5.078 ( 12.017 -17.689 0.444) 21.390 5.501 ( -8.696 11.385 -0.631) 14.340 8.178 ( 0.486 -3.131 -1.327) 3.435 9.066 ( -2.333 -3.437 0.020) 4.154 9.250 ( 2.184 8.086 1.740) 8.555 10.068 ( -5.130 -7.139 -0.983) 8.846 10.486 ( 8.308 0.694 0.467) 8.350 13.624 ( -3.061 4.584 0.753) 5.563======================= Grid point 663 (256/417) =======================q-point: (-0.12 0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1034Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.620 ( -1.977 -3.424 -0.000) 3.954 2.851 ( 0.820 1.420 -0.000) 1.639 3.285 ( -3.308 -5.730 -0.000) 6.616 3.302 ( 4.033 6.985 0.000) 8.066 4.792 ( -12.857 -22.270 -0.000) 25.715 5.669 ( 6.376 11.044 -0.000) 12.753 8.186 ( 1.441 2.496 -0.000) 2.883 8.970 ( -3.552 -6.152 -0.000) 7.104 9.389 ( 4.063 7.037 -0.000) 8.126 9.829 ( -8.166 -14.144 0.000) 16.333 10.553 ( -0.339 -0.587 -0.000) 0.678 13.704 ( 4.212 7.296 0.000) 8.424======================= Grid point 675 (257/417) =======================q-point: ( 0.56 0.56 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.164 ( 0.000 1.483 0.356) 1.525 2.402 ( 0.000 -0.805 7.815) 7.857 2.937 ( -0.000 1.257 -3.037) 3.287 3.320 ( -0.000 5.345 -0.157) 5.347 3.985 ( -0.000 1.549 -0.742) 1.717 5.921 ( -0.000 8.176 -0.766) 8.212 7.884 ( -0.000 2.354 -0.085) 2.355 8.182 ( -0.000 5.623 -3.316) 6.527 9.581 ( 0.000 5.205 3.660) 6.364 10.031 ( -0.000 3.955 -0.223) 3.962 10.075 ( -0.000 -26.328 -0.671) 26.337 14.478 ( -0.000 3.315 -4.346) 5.466======================= Grid point 676 (258/417) =======================q-point: ( 0.62 0.56 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.231 ( 5.926 0.851 0.280) 5.993 2.434 ( 2.136 -1.845 8.038) 8.519 2.950 ( -0.444 3.176 -0.398) 3.232 3.485 ( 13.611 3.067 -0.139) 13.953 3.971 ( -1.878 -0.358 -1.904) 2.698 5.983 ( -0.077 4.065 -0.604) 4.110 8.068 ( 17.336 1.761 0.048) 17.425 8.230 ( -1.336 7.307 2.626) 7.879 9.627 ( -3.600 7.876 2.777) 9.094 9.757 ( -5.288 -18.193 -4.019) 19.368 10.130 ( 5.983 -1.213 0.180) 6.108 14.422 ( -7.987 2.411 -3.903) 9.211======================= Grid point 677 (259/417) =======================q-point: (-0.31 -0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.365 ( 7.904 -0.595 -0.519) 7.943 2.498 ( 5.765 -2.537 7.041) 9.448 2.978 ( -1.517 4.819 2.354) 5.573 3.818 ( 16.580 2.072 -2.249) 16.859 3.912 ( 2.337 -3.389 -1.102) 4.261 5.981 ( -2.629 -0.158 -0.791) 2.750 8.232 ( -1.486 2.628 2.656) 4.021 8.519 ( 23.829 3.545 1.848) 24.162 9.486 ( -6.880 -7.984 -2.349) 10.798 9.686 ( 1.510 6.153 -0.705) 6.375 10.212 ( 4.417 -1.935 1.437) 5.032 14.238 ( -13.705 2.015 -2.788) 14.130======================= Grid point 678 (260/417) =======================q-point: (-0.25 -0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.454 ( 5.217 -3.337 -0.584) 6.220 2.650 ( 11.377 -2.373 4.119) 12.330 3.004 ( -2.927 5.743 4.930) 8.115 3.760 ( -6.551 -1.569 -5.245) 8.537 4.272 ( 26.530 -4.424 0.570) 26.903 5.876 ( -7.009 -2.729 -1.052) 7.595 8.198 ( -2.919 -2.439 0.966) 3.925 8.902 ( 15.370 -1.214 -0.767) 15.437 9.348 ( -4.521 1.430 1.388) 4.941 9.871 ( 11.601 9.478 -2.733) 15.228 10.240 ( 1.469 -4.767 3.441) 6.060 13.996 ( -14.988 2.924 -0.773) 15.290======================= Grid point 679 (261/417) =======================q-point: (-0.19 -0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.501 ( 5.370 -4.410 -1.986) 7.227 2.816 ( 8.453 -4.632 2.070) 9.858 3.044 ( -0.368 6.085 7.705) 9.825 3.601 ( -8.026 -0.273 -6.228) 10.162 4.621 ( 20.796 -13.517 0.280) 24.805 5.713 ( -7.681 0.452 -0.888) 7.746 8.116 ( -0.438 -5.318 -1.745) 5.614 9.016 ( 4.016 -6.408 -1.299) 7.673 9.362 ( -2.393 10.030 4.443) 11.228 10.099 ( -2.903 1.098 -2.814) 4.189 10.269 ( 13.352 -2.039 2.104) 13.669 13.808 ( -10.442 5.537 1.414) 11.904======================= Grid point 692 (262/417) =======================q-point: (-0.38 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( 0.000 0.114 0.737) 0.746 2.417 ( 0.000 -3.051 7.998) 8.560 3.001 ( 0.000 5.277 2.738) 5.945 3.376 ( 0.000 0.176 0.056) 0.185 3.971 ( -0.000 -1.529 -3.338) 3.672 6.004 ( -0.000 0.350 -0.443) 0.565 7.929 ( 0.000 1.463 2.191) 2.634 8.342 ( 0.000 8.175 7.973) 11.419 9.593 ( -0.000 -14.143 -6.454) 15.546 9.788 ( 0.000 9.271 2.237) 9.537 10.056 ( -0.000 -1.035 -2.031) 2.280 14.500 ( -0.000 1.485 -4.010) 4.276======================= Grid point 693 (263/417) =======================q-point: (-0.31 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.234 ( 5.460 -0.824 0.406) 5.537 2.419 ( 1.971 -4.427 6.717) 8.283 3.069 ( -0.802 6.578 5.667) 8.719 3.491 ( 13.963 -2.412 0.140) 14.171 3.917 ( -2.191 -2.621 -4.699) 5.809 5.981 ( -0.474 -4.003 -0.737) 4.098 8.091 ( 14.718 -0.085 1.748) 14.821 8.425 ( -1.946 5.292 10.645) 12.046 9.442 ( -1.390 -6.402 -5.729) 8.703 9.840 ( -5.167 11.056 -0.280) 12.207 10.104 ( 5.908 -0.933 -0.949) 6.056 14.432 ( -7.427 1.010 -3.548) 8.292======================= Grid point 694 (264/417) =======================q-point: (-0.25 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( 5.657 -3.030 -0.725) 6.458 2.460 ( 7.079 -4.930 4.894) 9.918 3.131 ( -2.210 6.257 7.637) 10.117 3.782 ( 22.516 -5.823 0.052) 23.257 3.817 ( -4.069 -2.560 -5.767) 7.508 5.896 ( -2.088 -7.719 -1.250) 8.094 8.244 ( -1.709 -3.250 2.312) 4.339 8.551 ( 16.259 -4.058 2.605) 16.959 9.416 ( -0.373 5.798 0.783) 5.862 9.891 ( 0.443 10.329 -1.022) 10.389 10.185 ( 2.398 1.068 0.319) 2.645 14.260 ( -12.051 1.778 -1.996) 12.344======================= Grid point 695 (265/417) =======================q-point: (-0.19 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.360 ( 4.434 -5.083 -1.617) 6.936 2.586 ( 10.688 -6.170 2.690) 12.631 3.166 ( -2.837 4.751 8.513) 10.154 3.698 ( -5.504 -0.017 -6.376) 8.423 4.104 ( 22.769 -12.259 -0.008) 25.860 5.762 ( -2.684 -8.055 -1.215) 8.577 8.107 ( -5.382 -5.875 -0.404) 7.978 8.762 ( 13.611 -11.092 -1.935) 17.664 9.517 ( -0.425 11.416 5.536) 12.695 10.071 ( 8.682 3.598 2.459) 9.715 10.199 ( -3.689 7.600 -2.759) 8.887 14.066 ( -12.118 4.086 0.511) 12.798======================= Grid point 709 (266/417) =======================q-point: (-0.31 -0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( 0.000 -1.531 0.821) 1.737 2.373 ( 0.000 -5.708 5.616) 8.008 3.170 ( 0.000 6.943 8.414) 10.909 3.328 ( 0.000 -4.955 0.165) 4.958 3.889 ( -0.000 -3.157 -5.831) 6.631 5.918 ( -0.000 -8.752 -1.014) 8.810 7.960 ( 0.000 -0.574 3.137) 3.189 8.521 ( 0.000 -0.562 10.568) 10.583 9.425 ( -0.000 5.061 -1.787) 5.368 9.972 ( -0.000 -5.162 -2.758) 5.853 10.064 ( -0.000 16.554 -1.779) 16.650 14.491 ( -0.000 0.297 -3.958) 3.969======================= Grid point 710 (267/417) =======================q-point: (-0.25 -0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 4.455 -2.810 0.138) 5.269 2.339 ( 2.051 -6.941 4.075) 8.306 3.248 ( -1.322 4.451 9.263) 10.361 3.390 ( 13.412 -7.688 0.434) 15.465 3.826 ( -1.767 -1.809 -6.313) 6.800 5.800 ( -0.043 -13.457 -1.562) 13.547 8.069 ( 11.839 -3.958 1.810) 12.614 8.454 ( -4.283 -7.480 3.640) 9.357 9.535 ( -1.340 14.439 6.037) 15.708 9.927 ( 1.844 -1.170 -0.062) 2.185 10.239 ( 0.418 16.259 -4.041) 16.759 14.425 ( -6.192 0.737 -3.303) 7.056======================= Grid point 711 (268/417) =======================q-point: (-0.19 -0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.233 ( 3.566 -5.416 -1.202) 6.595 2.361 ( 7.761 -7.340 2.584) 10.990 3.266 ( -2.197 -0.069 7.800) 8.103 3.596 ( 19.727 -12.298 0.708) 23.257 3.766 ( -2.836 2.359 -5.375) 6.519 5.647 ( 0.859 -16.090 -1.647) 16.197 8.138 ( -2.215 -7.330 -0.523) 7.675 8.388 ( 11.051 -11.246 -1.100) 15.805 9.645 ( -1.088 8.841 4.590) 10.021 10.041 ( 3.695 7.380 9.868) 12.864 10.372 ( -2.595 18.091 -7.512) 19.760 14.292 ( -9.377 2.618 -1.278) 9.819======================= Grid point 726 (269/417) =======================q-point: (-0.25 -0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.129 ( 0.000 -3.584 0.443) 3.611 2.257 ( 0.000 -8.450 2.713) 8.875 3.180 ( 0.000 -9.708 0.159) 9.709 3.312 ( 0.000 -1.031 8.187) 8.251 3.818 ( -0.000 1.494 -4.415) 4.661 5.626 ( -0.000 -19.211 -2.056) 19.320 7.917 ( 0.000 -6.009 1.866) 6.292 8.411 ( -0.000 -10.117 -1.214) 10.190 9.801 ( 0.000 23.523 16.598) 28.789 9.849 ( -0.000 -4.429 -1.636) 4.722 10.416 ( -0.000 20.708 -7.469) 22.014 14.473 ( -0.000 0.676 -3.825) 3.884======================= Grid point 727 (270/417) =======================q-point: (-0.19 -0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( 2.877 -5.417 -0.548) 6.158 2.190 ( 2.899 -9.544 1.586) 10.100 3.181 ( 11.802 -12.301 -0.078) 17.048 3.278 ( -0.600 -7.634 4.502) 8.883 3.836 ( -1.401 5.703 -0.756) 5.921 5.413 ( 1.711 -23.564 -2.207) 23.729 7.928 ( 8.950 -10.904 -0.088) 14.107 8.268 ( -3.404 -8.431 -3.555) 9.763 9.760 ( -4.232 1.140 1.333) 4.581 10.159 ( 3.606 20.141 20.212) 28.761 10.589 ( -1.740 22.527 -11.139) 25.191 14.430 ( -4.548 1.939 -2.918) 5.741======================= Grid point 743 (271/417) =======================q-point: (-0.19 -0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( -0.000 -6.361 -0.332) 6.370 2.061 ( 0.000 -11.968 0.013) 11.968 2.944 ( 0.000 -13.433 0.015) 13.433 3.186 ( 0.000 -12.716 0.985) 12.754 3.917 ( 0.000 6.771 2.650) 7.271 5.117 ( -0.000 -29.534 -2.598) 29.648 7.724 ( -0.000 -13.364 -0.472) 13.373 8.209 ( -0.000 -5.911 -5.647) 8.175 9.807 ( 0.000 1.021 0.420) 1.104 10.429 ( 0.000 21.018 25.143) 32.771 10.812 ( -0.000 26.721 -12.889) 29.667 14.478 ( -0.000 2.237 -3.486) 4.142======================= Grid point 830 (272/417) =======================q-point: ( 0.19 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 408Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.633 ( 0.000 -0.000 20.587) 20.587 0.633 ( 0.000 -0.000 20.587) 20.587 1.326 ( 0.000 -0.000 44.379) 44.379 1.989 ( -0.000 0.000 -4.317) 4.317 1.989 ( -0.000 0.000 -4.317) 4.317 4.800 ( -0.000 0.000 -13.969) 13.969 6.584 ( 0.000 -0.000 2.893) 2.893 6.584 ( 0.000 -0.000 2.893) 2.893 10.334 ( -0.000 0.000 -1.577) 1.577 10.334 ( -0.000 0.000 -1.577) 1.577 13.522 ( 0.000 -0.000 1.321) 1.321 13.764 ( -0.000 0.000 -0.684) 0.684======================= Grid point 831 (273/417) =======================q-point: ( 0.25 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.849 ( 13.999 8.082 15.362) 22.300 1.076 ( 16.772 9.684 19.692) 27.620 1.670 ( 19.963 11.526 32.630) 39.951 2.004 ( 2.711 1.565 -4.730) 5.672 2.141 ( 13.965 8.063 -5.002) 16.884 4.310 ( -15.326 -8.848 -2.684) 17.899 6.649 ( 4.696 2.711 2.884) 6.141 7.957 ( 64.764 37.392 -32.136) 81.396 10.036 ( -18.951 -10.941 -5.707) 22.614 10.294 ( -3.192 -1.843 -1.548) 3.998 13.422 ( -9.928 -5.732 4.890) 12.463 13.943 ( 12.355 7.133 -10.892) 17.949======================= Grid point 832 (274/417) =======================q-point: ( 0.31 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 17.029 9.832 10.016) 22.067 1.408 ( 8.381 4.839 21.339) 23.431 2.091 ( 6.296 3.635 -4.908) 8.771 2.265 ( 19.176 11.071 14.241) 26.327 2.678 ( 33.481 19.330 -1.853) 38.705 4.085 ( -4.742 -2.738 -7.079) 8.949 6.817 ( 8.833 5.100 2.467) 10.493 8.664 ( -1.340 -0.774 -0.897) 1.789 9.792 ( 9.263 5.348 -29.477) 31.358 10.184 ( -5.513 -3.183 -1.445) 6.528 13.143 ( -15.524 -8.963 11.541) 21.319 14.103 ( 4.465 2.578 -16.372) 17.165======================= Grid point 833 (275/417) =======================q-point: ( 0.38 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( 12.704 7.335 6.202) 15.927 1.667 ( 9.375 5.413 15.064) 18.551 2.280 ( 11.376 6.568 -3.955) 13.719 2.685 ( 14.615 8.438 7.886) 18.627 3.478 ( 30.041 17.344 -6.032) 35.209 4.037 ( 5.076 2.930 -3.655) 6.907 7.068 ( 11.818 6.823 1.653) 13.746 8.321 ( -19.245 -11.111 3.199) 22.451 10.018 ( 11.118 6.419 -26.039) 29.032 10.043 ( -5.839 -3.371 -1.140) 6.838 12.776 ( -20.114 -11.613 15.767) 28.072 14.079 ( -0.826 -0.477 -16.239) 16.267======================= Grid point 834 (276/417) =======================q-point: ( 0.44 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 7.455 4.304 2.609) 8.995 1.950 ( 11.488 6.632 9.042) 16.054 2.582 ( 14.374 8.299 -1.916) 16.708 2.989 ( 9.295 5.367 3.732) 11.364 3.767 ( 3.353 1.936 -12.344) 12.937 4.510 ( 28.575 16.498 4.256) 33.269 7.362 ( 12.560 7.251 0.464) 14.510 7.958 ( -10.960 -6.328 -0.330) 12.659 9.923 ( -3.852 -2.224 -0.457) 4.471 10.067 ( -0.259 -0.149 -18.946) 18.948 12.275 ( -27.247 -15.731 13.320) 34.166 14.022 ( 0.614 0.354 -10.590) 10.614======================= Grid point 835 (277/417) =======================q-point: ( 0.50 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 4.869 2.811 0.570) 5.652 2.254 ( 12.461 7.194 4.638) 15.117 2.901 ( 12.812 7.397 -0.774) 14.815 3.126 ( 2.465 1.423 -4.205) 5.078 3.789 ( 1.660 0.958 -3.655) 4.127 5.143 ( 23.408 13.514 2.718) 27.165 7.635 ( 10.548 6.090 -1.016) 12.222 7.836 ( 1.029 0.594 -2.395) 2.674 9.873 ( -0.390 -0.225 0.679) 0.814 9.933 ( -5.568 -3.215 -13.646) 15.085 11.591 ( -33.602 -19.400 7.067) 39.438 14.053 ( 3.671 2.120 -3.000) 5.193======================= Grid point 836 (278/417) =======================q-point: ( 0.56 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( 3.242 1.872 -0.377) 3.763 2.554 ( 12.346 7.128 1.046) 14.294 3.092 ( -2.848 -1.644 -10.693) 11.187 3.158 ( 9.144 5.279 -0.347) 10.564 3.820 ( 0.629 0.363 3.899) 3.966 5.604 ( 15.513 8.956 1.639) 17.987 7.836 ( 7.099 4.099 -2.399) 8.541 7.977 ( 11.298 6.523 -4.266) 13.726 9.767 ( -4.849 -2.800 -8.168) 9.903 9.902 ( 2.141 1.236 1.943) 3.145 10.795 ( -34.838 -20.114 2.766) 40.322 14.153 ( 4.559 2.632 2.100) 5.668======================= Grid point 837 (279/417) =======================q-point: ( 0.62 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.193 ( 1.717 0.991 -0.809) 2.141 2.833 ( 11.471 6.623 -4.765) 14.077 2.949 ( -5.579 -3.221 -9.623) 11.580 3.321 ( 4.763 2.750 -0.176) 5.503 3.833 ( -1.130 -0.653 6.745) 6.870 5.883 ( 8.053 4.649 0.930) 9.345 7.956 ( 4.113 2.375 -3.153) 5.701 8.301 ( 17.276 9.974 -7.704) 21.384 9.669 ( -3.161 -1.825 -1.591) 3.982 9.960 ( 1.630 0.941 2.774) 3.353 10.046 ( -27.462 -15.855 1.366) 31.740 14.261 ( 3.467 2.002 4.699) 6.173======================= Grid point 838 (280/417) =======================q-point: (-0.31 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( 0.124 0.072 -0.936) 0.947 2.738 ( -7.541 -4.354 -12.264) 15.041 3.108 ( 11.466 6.620 -3.977) 13.825 3.378 ( 0.197 0.114 -0.085) 0.243 3.805 ( -3.231 -1.865 7.685) 8.542 5.983 ( 0.205 0.119 0.823) 0.856 8.014 ( 1.764 1.019 -3.087) 3.698 8.672 ( 14.213 8.206 -12.790) 20.807 9.394 ( -14.894 -8.599 6.731) 18.469 9.815 ( 4.467 2.579 0.007) 5.158 9.976 ( -1.281 -0.740 2.880) 3.238 14.339 ( 1.723 0.995 5.966) 6.289======================= Grid point 839 (281/417) =======================q-point: (-0.25 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.192 ( -1.549 -0.894 -0.817) 1.967 2.517 ( -8.348 -4.820 -8.790) 13.045 3.330 ( -4.291 -2.478 -0.014) 4.955 3.336 ( 8.806 5.084 -8.476) 13.238 3.744 ( -3.507 -2.025 9.219) 10.069 5.894 ( -8.198 -4.733 1.311) 9.556 8.015 ( -1.179 -0.681 -2.276) 2.652 8.649 ( -11.118 -6.419 -1.679) 12.948 9.470 ( 18.702 10.797 -6.739) 22.622 9.921 ( -3.825 -2.209 2.228) 4.947 10.017 ( 11.431 6.600 2.845) 13.502 14.385 ( 0.734 0.424 6.499) 6.554======================= Grid point 840 (282/417) =======================q-point: (-0.19 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( -3.348 -1.933 -0.439) 3.890 2.293 ( -9.017 -5.206 -4.728) 11.435 3.180 ( -8.415 -4.859 0.039) 9.717 3.381 ( -3.687 -2.129 -6.034) 7.385 3.774 ( 4.683 2.704 4.569) 7.080 5.607 ( -16.900 -9.757 1.929) 19.610 7.931 ( -5.939 -3.429 -0.918) 6.919 8.381 ( -10.692 -6.173 4.731) 13.222 9.837 ( -3.151 -1.819 0.952) 3.761 9.970 ( 25.157 14.525 -18.026) 34.187 10.344 ( 15.159 8.752 7.100) 18.889 14.425 ( 1.129 0.652 5.982) 6.123======================= Grid point 847 (283/417) =======================q-point: ( 0.25 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( 0.000 17.492 15.189) 23.166 1.099 ( 0.000 24.650 16.345) 29.577 1.751 ( 0.000 16.071 35.527) 38.993 1.997 ( -0.000 3.600 -5.307) 6.413 2.111 ( -0.000 15.353 -5.393) 16.272 4.298 ( -0.000 -17.616 -4.851) 18.272 6.660 ( 0.000 5.673 2.983) 6.409 7.830 ( -0.000 69.652 -26.039) 74.360 10.108 ( -0.000 -13.549 -7.176) 15.332 10.274 ( -0.000 -4.443 -1.719) 4.764 13.420 ( 0.000 -13.451 5.046) 14.367 13.894 ( -0.000 11.776 -9.127) 14.899======================= Grid point 848 (284/417) =======================q-point: ( 0.31 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( 5.718 19.524 11.729) 23.483 1.439 ( 5.282 11.861 19.925) 23.783 2.051 ( 2.994 6.516 -5.339) 8.940 2.163 ( 12.618 15.945 19.240) 27.993 2.452 ( 17.594 27.926 -2.631) 33.111 4.101 ( -4.028 -6.257 -7.667) 10.684 6.782 ( 4.481 8.631 2.816) 10.124 8.521 ( 16.967 19.065 -9.354) 27.182 9.809 ( -11.928 0.387 -19.969) 23.263 10.217 ( -1.516 -3.917 -2.898) 5.103 13.222 ( -5.961 -18.183 9.798) 21.498 14.024 ( 4.228 7.911 -14.390) 16.957======================= Grid point 849 (285/417) =======================q-point: ( 0.38 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( 8.035 14.763 8.501) 18.835 1.673 ( 4.365 8.623 17.030) 19.581 2.207 ( 6.828 11.496 -4.708) 14.175 2.563 ( 13.000 11.145 9.065) 19.375 3.170 ( 26.908 27.408 -2.757) 38.508 4.006 ( 0.087 1.387 -7.164) 7.298 7.003 ( 7.748 11.794 2.453) 14.323 8.510 ( -13.317 -13.958 5.313) 20.009 9.786 ( 7.644 7.139 -23.374) 25.607 10.133 ( -3.714 0.637 -6.551) 7.557 12.923 ( -10.240 -20.632 14.215) 27.066 14.060 ( -0.946 3.776 -16.388) 16.844======================= Grid point 850 (286/417) =======================q-point: ( 0.44 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 5.513 9.305 4.699) 11.792 1.901 ( 6.565 8.687 11.318) 15.705 2.491 ( 10.018 16.107 -2.336) 19.112 2.892 ( 10.455 7.262 5.381) 13.820 3.661 ( 8.466 6.517 -13.218) 16.996 4.265 ( 20.931 19.604 3.309) 28.869 7.293 ( 8.935 14.488 1.818) 17.119 8.112 ( -15.042 -10.149 1.924) 18.248 9.856 ( 4.189 -4.825 -8.795) 10.871 10.065 ( -3.317 2.368 -12.863) 13.493 12.516 ( -17.110 -22.965 13.692) 31.743 14.006 ( -1.875 2.357 -12.881) 13.229======================= Grid point 851 (287/417) =======================q-point: ( 0.50 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( 2.969 7.409 1.458) 8.114 2.158 ( 9.348 8.352 7.041) 14.378 2.826 ( 9.321 15.593 -0.684) 18.179 3.084 ( 4.322 3.582 -1.709) 5.868 3.742 ( 3.402 2.356 -6.924) 8.067 4.900 ( 23.483 18.876 3.077) 30.286 7.597 ( 7.183 15.663 0.803) 17.251 7.862 ( -5.648 -2.491 -0.224) 6.177 9.835 ( 2.004 -4.008 -4.133) 6.096 9.950 ( -4.805 -2.696 -11.263) 12.538 11.932 ( -26.285 -23.780 7.889) 36.313 13.995 ( 2.348 1.132 -5.389) 5.986======================= Grid point 852 (288/417) =======================q-point: ( 0.56 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 1.333 6.620 0.145) 6.754 2.432 ( 10.561 7.677 2.856) 13.365 3.043 ( 2.085 0.586 -5.503) 5.914 3.178 ( 2.677 14.051 -3.440) 14.712 3.808 ( 2.471 1.407 1.422) 3.179 5.430 ( 17.341 12.804 2.093) 21.657 7.843 ( 5.101 10.904 -0.696) 12.058 7.873 ( 3.457 8.375 -1.462) 9.177 9.766 ( -2.975 -5.414 -10.159) 11.890 9.871 ( 1.657 -0.771 0.975) 2.072 11.197 ( -32.161 -21.124 2.407) 38.553 14.068 ( 6.047 -0.832 0.731) 6.147======================= Grid point 853 (289/417) =======================q-point: ( 0.62 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( -0.213 5.939 -0.508) 5.965 2.694 ( 10.597 6.778 -2.306) 12.789 2.964 ( -3.676 -3.503 -9.291) 10.588 3.369 ( 0.809 14.828 -0.537) 14.860 3.851 ( 0.384 -0.273 5.250) 5.271 5.780 ( 10.675 7.072 1.376) 12.879 8.021 ( -1.465 15.274 -1.893) 15.460 8.083 ( 14.000 6.498 -4.003) 15.946 9.657 ( -0.320 -3.859 -5.116) 6.416 9.891 ( 0.330 -5.222 3.064) 6.064 10.466 ( -29.693 -10.867 -0.239) 31.620 14.176 ( 7.061 -2.776 3.978) 8.567======================= Grid point 854 (290/417) =======================q-point: ( 0.69 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.250 ( -1.790 5.004 -0.795) 5.374 2.772 ( -5.175 -2.581 -13.902) 15.057 2.968 ( 9.777 4.798 -0.944) 10.932 3.483 ( -3.771 12.723 0.022) 13.270 3.846 ( -1.626 -2.152 6.436) 6.978 5.958 ( 4.033 1.916 0.957) 4.566 8.109 ( -4.327 13.795 -2.550) 14.681 8.412 ( 17.013 5.986 -8.539) 19.954 9.591 ( -13.499 -9.190 5.044) 17.091 9.699 ( 2.570 -8.111 -0.458) 8.521 10.131 ( -8.887 7.271 0.027) 11.483 14.273 ( 6.088 -4.173 5.381) 9.134======================= Grid point 855 (291/417) =======================q-point: (-0.25 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.247 ( -3.312 3.674 -0.785) 5.009 2.584 ( -7.616 -3.257 -9.798) 12.830 3.190 ( 10.282 4.617 -6.476) 12.999 3.492 ( -8.727 10.631 0.173) 13.755 3.797 ( -2.783 -3.642 7.566) 8.846 5.963 ( -3.460 -2.811 1.094) 4.590 8.134 ( -6.537 11.282 -2.358) 13.251 8.625 ( 4.667 -4.618 -8.864) 11.031 9.350 ( 0.319 1.133 3.194) 3.404 9.815 ( 9.719 -0.385 2.104) 9.952 10.091 ( -4.944 7.173 0.203) 8.714 14.338 ( 4.623 -4.675 5.766) 8.745======================= Grid point 856 (292/417) =======================q-point: (-0.19 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( -4.704 1.944 -0.432) 5.108 2.387 ( -8.525 -2.814 -5.792) 10.684 3.333 ( 2.885 1.002 -7.913) 8.482 3.396 ( -11.800 7.627 -1.336) 14.114 3.758 ( 0.289 -1.929 7.822) 8.062 5.784 ( -11.923 -6.884 1.623) 13.863 8.084 ( -9.446 7.234 -1.352) 11.974 8.468 ( -7.366 -9.656 0.511) 12.155 9.601 ( 17.073 5.810 -7.375) 19.484 9.933 ( 1.112 4.804 -1.294) 5.098 10.203 ( 10.693 7.703 3.298) 13.585 14.384 ( 3.914 -4.118 5.154) 7.670======================= Grid point 864 (293/417) =======================q-point: ( 0.31 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 0.000 17.399 10.566) 20.356 1.595 ( 0.000 13.791 17.822) 22.534 2.074 ( -0.000 8.095 -6.198) 10.195 2.282 ( 0.000 16.732 14.781) 22.326 2.631 ( 0.000 37.509 0.214) 37.510 4.048 ( -0.000 -4.328 -8.878) 9.876 6.849 ( 0.000 11.094 2.496) 11.371 8.538 ( -0.000 10.364 -0.641) 10.384 9.896 ( -0.000 5.470 -27.376) 27.917 10.142 ( -0.000 -7.263 -1.473) 7.411 13.085 ( 0.000 -23.949 11.927) 26.755 14.037 ( -0.000 9.794 -14.454) 17.460======================= Grid point 865 (294/417) =======================q-point: ( 0.38 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 4.331 13.738 8.314) 16.631 1.781 ( 0.983 10.561 15.708) 18.954 2.208 ( 5.740 13.045 -5.238) 15.184 2.545 ( 6.517 14.349 9.070) 18.183 3.130 ( 12.205 34.238 -2.098) 36.409 4.003 ( 0.166 3.497 -7.615) 8.381 7.029 ( 5.239 13.849 2.264) 14.979 8.535 ( -3.766 -11.598 6.275) 13.714 9.788 ( -5.860 7.207 -22.814) 24.632 10.113 ( 2.475 -2.855 -7.917) 8.772 12.839 ( -3.440 -26.878 14.640) 30.799 14.080 ( -0.717 7.462 -15.526) 17.242======================= Grid point 866 (295/417) =======================q-point: ( 0.44 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( 4.549 9.192 5.736) 11.751 1.957 ( 2.510 9.786 11.065) 14.983 2.499 ( 9.541 18.792 -2.492) 21.223 2.824 ( 8.141 9.347 5.562) 13.586 3.560 ( 8.202 12.515 -11.277) 18.737 4.200 ( 11.661 22.315 1.114) 25.203 7.317 ( 8.435 17.269 2.368) 19.364 8.255 ( -12.482 -12.334 2.746) 17.761 9.734 ( 1.127 -0.529 -11.256) 11.324 10.076 ( -1.097 -1.860 -11.419) 11.621 12.509 ( -7.860 -29.020 14.619) 33.431 14.053 ( -3.801 5.021 -13.998) 15.349======================= Grid point 867 (296/417) =======================q-point: ( 0.50 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( 3.489 8.881 2.245) 9.802 2.142 ( 5.028 8.458 8.335) 12.896 2.850 ( 7.789 17.144 -0.124) 18.831 3.036 ( 6.651 6.855 -1.069) 9.611 3.688 ( 3.756 4.958 -7.933) 10.080 4.749 ( 18.824 24.175 2.649) 30.753 7.662 ( 7.623 19.323 2.386) 20.909 7.969 ( -9.248 -3.724 0.443) 9.979 9.724 ( 3.089 -3.457 -6.782) 8.215 9.961 ( -3.903 -4.619 -9.634) 11.375 12.055 ( -15.098 -29.307 10.258) 34.527 13.989 ( -2.657 2.220 -8.773) 9.431======================= Grid point 868 (297/417) =======================q-point: ( 0.56 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.207 ( 1.090 9.072 0.871) 9.179 2.361 ( 7.902 7.552 4.810) 11.942 3.003 ( 1.369 0.157 -4.273) 4.490 3.277 ( 5.420 19.501 -2.947) 20.454 3.785 ( 3.219 4.185 -0.105) 5.281 5.282 ( 16.646 16.594 1.916) 23.582 7.828 ( 0.191 2.255 0.522) 2.322 8.025 ( 2.514 21.851 1.579) 22.052 9.697 ( 0.226 -6.065 -9.610) 11.367 9.845 ( -0.475 -2.034 -1.870) 2.803 11.461 ( -22.833 -25.618 4.002) 34.549 13.968 ( 2.265 -1.788 -2.558) 3.857======================= Grid point 869 (298/417) =======================q-point: ( 0.62 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.303 ( -0.805 8.940 0.157) 8.978 2.589 ( 8.778 6.608 0.384) 10.994 2.954 ( -2.063 -2.836 -7.563) 8.336 3.529 ( 1.671 18.022 -0.825) 18.118 3.870 ( 0.593 4.483 3.465) 5.697 5.665 ( 11.861 8.761 1.499) 14.822 7.937 ( 7.853 5.052 -0.509) 9.351 8.264 ( -2.344 22.915 0.898) 23.052 9.583 ( -0.163 -6.918 -7.290) 10.052 9.861 ( 0.762 -0.955 1.843) 2.211 10.815 ( -25.009 -16.267 -0.830) 29.845 14.011 ( 6.766 -5.660 1.718) 8.987======================= Grid point 870 (299/417) =======================q-point: ( 0.69 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.359 ( -2.733 8.167 -0.321) 8.618 2.766 ( 2.326 3.251 -11.085) 11.784 2.879 ( 2.223 -0.187 -0.212) 2.241 3.685 ( -0.887 10.906 2.266) 11.174 3.912 ( -4.202 8.008 2.738) 9.449 5.888 ( 6.821 2.300 1.256) 7.307 8.161 ( 11.273 4.274 -3.570) 12.574 8.417 ( -5.537 22.075 0.397) 22.762 9.544 ( 4.666 -5.193 -3.261) 7.706 9.749 ( -11.224 -8.040 4.627) 14.561 10.371 ( -13.292 0.739 -3.297) 13.715 14.088 ( 8.736 -8.150 3.767) 12.527======================= Grid point 871 (300/417) =======================q-point: (-0.25 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.367 ( -4.508 6.196 -0.513) 7.680 2.662 ( -6.752 0.137 -9.597) 11.735 3.039 ( 9.502 3.475 -3.800) 10.808 3.740 ( -1.781 2.761 5.881) 6.737 3.896 ( -10.150 12.205 0.489) 15.882 5.961 ( 1.177 -2.587 1.175) 3.076 8.305 ( 2.425 0.839 -4.788) 5.432 8.556 ( -2.031 16.955 -1.463) 17.139 9.431 ( -8.457 -6.346 3.002) 10.992 9.664 ( 7.338 2.392 1.455) 7.854 10.252 ( -6.325 5.026 -2.698) 8.518 14.167 ( 8.548 -8.971 4.253) 13.101======================= Grid point 872 (301/417) =======================q-point: (-0.19 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.323 ( -5.709 3.054 -0.198) 6.477 2.512 ( -8.691 2.096 -5.856) 10.688 3.207 ( 7.976 1.753 -8.112) 11.511 3.737 ( -2.071 0.271 8.004) 8.272 3.799 ( -14.651 11.315 -0.554) 18.519 5.883 ( -5.769 -5.746 1.342) 8.252 8.265 ( -3.113 -3.621 -1.958) 5.161 8.568 ( -11.177 8.212 -0.710) 13.888 9.430 ( 7.850 5.372 -2.062) 9.733 9.876 ( 9.757 5.746 2.177) 11.531 10.197 ( -2.355 3.182 -2.198) 4.528 14.233 ( 7.634 -8.316 3.480) 11.813======================= Grid point 881 (302/417) =======================q-point: ( 0.38 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( 0.000 10.188 5.919) 11.782 1.926 ( 0.000 9.418 13.998) 16.872 2.271 ( -0.000 15.142 -4.848) 15.900 2.670 ( 0.000 14.556 7.413) 16.335 3.355 ( -0.000 28.170 -5.736) 28.748 4.055 ( -0.000 13.872 -4.304) 14.524 7.127 ( 0.000 14.679 1.211) 14.728 8.472 ( 0.000 -12.210 5.829) 13.530 9.874 ( -0.000 6.188 -27.882) 28.560 9.981 ( -0.000 -7.400 -0.670) 7.430 12.626 ( 0.000 -30.254 16.024) 34.236 14.125 ( -0.000 8.557 -14.705) 17.014======================= Grid point 882 (303/417) =======================q-point: ( 0.44 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 3.548 7.132 3.467) 8.688 2.060 ( 0.706 8.377 11.059) 13.891 2.507 ( 8.841 17.968 -2.734) 20.211 2.845 ( 2.747 9.908 4.158) 11.090 3.563 ( 2.691 12.256 -10.318) 16.245 4.314 ( 5.307 29.008 1.230) 29.515 7.349 ( 7.319 16.123 0.890) 17.729 8.306 ( -6.324 -11.298 1.344) 13.017 9.740 ( -5.277 -0.330 -11.994) 13.108 9.981 ( 3.690 -4.962 -8.947) 10.876 12.333 ( -2.973 -32.634 15.605) 36.295 14.136 ( -3.165 7.239 -13.387) 15.545======================= Grid point 883 (304/417) =======================q-point: ( 0.50 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 5.525 6.843 2.065) 9.034 2.194 ( 1.992 7.508 8.187) 11.286 2.876 ( 9.466 16.957 -0.420) 19.424 2.981 ( 5.848 5.682 -1.800) 8.350 3.672 ( 2.619 7.740 -6.611) 10.511 4.768 ( 10.457 28.776 1.941) 30.678 7.697 ( 11.065 17.854 1.431) 21.053 8.081 ( -7.919 -4.658 -1.736) 9.350 9.650 ( -0.639 -2.056 -6.544) 6.889 9.920 ( -0.837 -5.990 -7.661) 9.761 11.957 ( -6.931 -33.604 12.494) 36.515 14.073 ( -6.075 4.585 -10.497) 12.966======================= Grid point 884 (305/417) =======================q-point: ( 0.56 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( 4.941 8.192 0.939) 9.613 2.338 ( 4.175 6.276 5.997) 9.633 2.971 ( 0.424 -0.455 -3.896) 3.945 3.322 ( 11.211 18.849 -2.552) 22.079 3.785 ( 3.217 7.051 -0.481) 7.765 5.223 ( 11.437 20.618 1.355) 23.617 7.884 ( -3.194 2.305 -0.429) 3.962 8.157 ( 8.925 20.093 1.415) 22.031 9.601 ( 0.274 -5.352 -7.313) 9.066 9.828 ( -0.917 -2.092 -3.272) 3.991 11.494 ( -12.018 -31.084 7.338) 34.125 13.969 ( -5.055 0.542 -6.157) 7.985======================= Grid point 885 (306/417) =======================q-point: ( 0.62 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.400 ( 1.048 9.153 1.127) 9.281 2.514 ( 7.397 5.365 2.030) 9.361 2.933 ( -1.019 -2.388 -5.621) 6.192 3.622 ( 4.420 11.971 -1.194) 12.817 3.944 ( 3.730 12.790 2.186) 13.501 5.571 ( 9.571 10.636 1.006) 14.344 7.907 ( 2.113 5.538 0.634) 5.961 8.502 ( 3.661 22.005 2.139) 22.409 9.491 ( -1.064 -8.026 -7.158) 10.807 9.851 ( 2.030 3.011 -0.054) 3.632 10.979 ( -15.873 -23.151 1.751) 28.125 13.888 ( -0.093 -4.439 -1.778) 4.783======================= Grid point 886 (307/417) =======================q-point: ( 0.69 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.488 ( -1.700 8.513 0.514) 8.696 2.698 ( 6.964 5.344 -3.379) 9.406 2.866 ( -1.669 -1.812 -3.641) 4.395 3.723 ( 1.080 0.613 2.790) 3.054 4.157 ( -1.551 21.814 0.400) 21.873 5.781 ( 7.269 1.453 1.000) 7.480 8.053 ( 6.335 6.329 0.311) 8.960 8.723 ( -2.877 19.300 2.032) 19.619 9.401 ( 2.502 -7.117 -4.666) 8.870 9.876 ( -5.078 2.017 3.083) 6.274 10.552 ( -11.928 -8.297 -3.469) 14.938 13.870 ( 5.648 -8.668 1.233) 10.419======================= Grid point 887 (308/417) =======================q-point: ( 0.75 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( -4.379 5.698 -0.538) 7.207 2.758 ( -4.051 4.839 -7.840) 10.064 2.908 ( 7.500 1.628 -0.999) 7.739 3.725 ( 0.773 -4.962 5.430) 7.396 4.293 ( -9.890 23.842 -0.674) 25.820 5.871 ( 4.948 -4.986 1.128) 7.114 8.202 ( 4.708 1.402 -1.666) 5.187 8.832 ( -4.468 15.717 2.266) 16.496 9.388 ( 3.719 -7.562 -2.644) 8.832 9.761 ( -9.544 7.288 4.942) 12.986 10.380 ( -5.320 1.900 -5.447) 7.848 13.912 ( 9.266 -10.655 2.344) 14.314======================= Grid point 888 (309/417) =======================q-point: (-0.19 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.452 ( -5.984 2.412 -0.304) 6.459 2.693 ( -7.926 7.079 -4.564) 11.566 3.057 ( 8.212 1.452 -5.930) 10.232 3.701 ( 1.314 -6.599 7.002) 9.711 4.279 ( -17.198 20.560 -0.767) 26.815 5.865 ( 1.056 -7.403 1.197) 7.573 8.209 ( -0.409 -5.579 -1.213) 5.724 8.890 ( -8.146 11.937 1.748) 14.557 9.365 ( 3.585 -1.030 -2.203) 4.332 9.838 ( 3.433 13.265 4.062) 14.292 10.281 ( -6.074 0.002 -4.969) 7.848 13.985 ( 10.208 -10.261 1.652) 14.567======================= Grid point 898 (310/417) =======================q-point: ( 0.44 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( 0.000 5.423 1.715) 5.687 2.164 ( 0.000 6.734 9.603) 11.728 2.590 ( -0.000 17.323 -2.171) 17.458 2.922 ( 0.000 6.661 0.723) 6.700 3.622 ( -0.000 9.815 -8.298) 12.853 4.593 ( 0.000 32.862 1.707) 32.906 7.429 ( -0.000 14.278 -0.690) 14.294 8.258 ( -0.000 -8.677 -2.889) 9.145 9.752 ( -0.000 -3.431 -15.533) 15.907 9.860 ( 0.000 -3.911 0.614) 3.959 12.066 ( 0.000 -34.981 15.085) 38.095 14.204 ( -0.000 7.811 -11.920) 14.251======================= Grid point 899 (311/417) =======================q-point: ( 0.50 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( 4.336 4.866 0.866) 6.575 2.261 ( 0.989 5.607 7.834) 9.684 2.853 ( 10.437 16.780 -1.318) 19.805 2.964 ( 0.265 1.901 -3.131) 3.673 3.708 ( 1.109 8.987 -4.226) 9.993 4.955 ( 3.643 30.030 1.264) 30.277 7.658 ( 10.298 13.628 -0.894) 17.105 8.130 ( -4.252 -4.339 -6.422) 8.840 9.639 ( -2.475 -3.794 -6.719) 8.103 9.850 ( 0.755 -2.701 -1.492) 3.177 11.725 ( -2.715 -36.171 12.638) 38.411 14.201 ( -4.962 6.537 -10.045) 12.972======================= Grid point 900 (312/417) =======================q-point: ( 0.56 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.209 ( 7.434 5.325 0.542) 9.160 2.366 ( 2.236 4.831 6.558) 8.446 2.952 ( -0.375 -0.784 -4.699) 4.779 3.254 ( 15.290 16.320 -1.414) 22.408 3.809 ( 1.944 7.141 -0.695) 7.433 5.309 ( 5.031 23.076 0.729) 23.629 7.949 ( 0.568 4.773 -3.141) 5.742 8.111 ( 12.387 10.908 -2.807) 16.742 9.546 ( -1.896 -4.892 -3.911) 6.544 9.827 ( -0.915 0.790 -1.058) 1.606 11.330 ( -5.133 -34.720 9.104) 36.258 14.100 ( -8.906 3.854 -7.659) 12.363======================= Grid point 901 (313/417) =======================q-point: ( 0.62 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.410 ( 8.333 6.306 -0.003) 10.450 2.475 ( 2.785 4.153 5.164) 7.188 2.912 ( -0.945 -1.695 -4.550) 4.947 3.631 ( 8.035 11.828 -1.701) 14.400 3.955 ( 8.174 9.207 1.510) 12.404 5.580 ( 3.806 13.944 0.439) 14.461 7.952 ( -0.418 5.528 -1.977) 5.886 8.537 ( 15.135 15.464 0.016) 21.638 9.433 ( -3.066 -6.171 -3.593) 7.771 9.855 ( 1.587 4.838 -0.637) 5.131 10.920 ( -6.897 -28.771 5.343) 30.064 13.938 ( -8.952 0.019 -4.718) 10.119======================= Grid point 902 (314/417) =======================q-point: ( 0.69 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.571 ( 1.435 4.613 2.884) 5.627 2.617 ( 7.774 6.356 -1.202) 10.114 2.863 ( -1.139 -1.421 -3.040) 3.544 3.730 ( -0.805 0.963 0.415) 1.322 4.298 ( 10.937 18.523 0.522) 21.517 5.717 ( 1.706 3.498 0.354) 3.908 8.047 ( 3.325 7.415 0.386) 8.136 8.872 ( 5.734 12.468 0.770) 13.745 9.310 ( -2.043 -6.102 -3.052) 7.122 9.960 ( 2.223 7.098 0.188) 7.440 10.577 ( -5.855 -16.546 1.197) 17.592 13.783 ( -4.371 -4.393 -1.672) 6.418======================= Grid point 903 (315/417) =======================q-point: ( 0.75 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( -2.066 3.750 -0.205) 4.286 2.795 ( 6.072 5.353 -2.223) 8.394 2.842 ( -0.247 2.085 -1.404) 2.526 3.688 ( -1.430 -4.861 2.436) 5.622 4.631 ( 1.317 23.505 -0.287) 23.543 5.730 ( 2.383 -6.963 0.577) 7.382 8.176 ( 2.558 4.745 0.606) 5.425 9.001 ( -1.157 7.265 1.620) 7.533 9.241 ( 2.429 -6.146 -2.753) 7.159 10.019 ( -5.575 8.675 4.255) 11.155 10.426 ( -1.221 -1.814 -4.457) 4.965 13.702 ( 2.630 -7.717 0.391) 8.162======================= Grid point 904 (316/417) =======================q-point: (-0.19 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.578 ( -5.345 2.685 -0.083) 5.982 2.859 ( -1.482 3.648 -0.849) 4.028 2.934 ( 4.358 5.938 -5.491) 9.187 3.622 ( 0.783 -8.072 4.707) 9.377 4.769 ( -12.993 22.357 -0.646) 25.866 5.703 ( 6.138 -11.785 0.901) 13.318 8.199 ( -2.106 -1.154 0.709) 2.504 9.053 ( -1.194 5.614 1.974) 6.069 9.241 ( 5.262 -4.221 -3.146) 7.444 10.030 ( -4.854 10.955 5.745) 13.289 10.374 ( -5.167 2.500 -6.061) 8.348 13.720 ( 8.144 -8.229 0.417) 11.585======================= Grid point 915 (317/417) =======================q-point: ( 0.50 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 0.000 3.857 0.294) 3.868 2.324 ( 0.000 3.945 6.964) 8.004 2.908 ( -0.000 14.685 -0.973) 14.717 2.960 ( -0.000 -0.025 -4.864) 4.864 3.781 ( -0.000 8.729 -1.796) 8.912 5.221 ( 0.000 26.981 0.407) 26.984 7.668 ( -0.000 9.874 -1.951) 10.065 8.104 ( -0.000 -2.102 -10.206) 10.420 9.596 ( -0.000 -4.806 -3.160) 5.752 9.846 ( 0.000 1.834 1.441) 2.332 11.412 ( 0.000 -37.378 10.608) 38.854 14.288 ( -0.000 6.920 -8.749) 11.155======================= Grid point 916 (318/417) =======================q-point: ( 0.56 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.138 ( 5.209 3.608 0.195) 6.340 2.392 ( 1.518 2.948 6.822) 7.585 2.935 ( -0.348 -0.884 -4.989) 5.079 3.152 ( 11.530 13.105 -0.688) 17.469 3.859 ( 0.184 6.592 -0.493) 6.613 5.484 ( 1.634 21.417 -0.193) 21.480 7.872 ( 12.691 8.458 -1.554) 15.330 8.050 ( -0.765 1.635 -9.650) 9.818 9.535 ( -1.974 -3.184 0.430) 3.771 9.871 ( -1.108 3.854 0.835) 4.097 11.052 ( -1.447 -36.193 7.796) 37.052 14.270 ( -6.551 5.759 -7.352) 11.407======================= Grid point 917 (319/417) =======================q-point: ( 0.62 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.301 ( 8.796 3.629 0.011) 9.515 2.481 ( 2.854 2.455 7.128) 8.061 2.902 ( -0.794 -0.633 -4.104) 4.228 3.536 ( 16.076 12.046 -1.063) 20.116 3.920 ( 1.979 3.588 0.163) 4.100 5.694 ( 0.958 14.800 -0.285) 14.833 8.008 ( -0.865 5.557 -4.785) 7.384 8.309 ( 22.244 8.427 -2.181) 23.886 9.456 ( -4.452 -1.992 1.114) 5.003 9.892 ( -0.830 3.707 -0.368) 3.817 10.705 ( -1.340 -30.328 5.783) 30.904 14.133 ( -11.685 3.632 -5.727) 13.510======================= Grid point 918 (320/417) =======================q-point: ( 0.69 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.493 ( 8.550 2.117 -0.168) 8.810 2.593 ( 4.670 3.878 6.156) 8.645 2.868 ( -1.469 0.081 -2.751) 3.120 3.769 ( -0.536 3.493 -1.880) 4.003 4.154 ( 19.326 8.774 0.795) 21.240 5.794 ( -2.763 7.315 -0.288) 7.824 8.071 ( 1.920 6.863 -1.392) 7.261 8.762 ( 17.955 7.570 -1.799) 19.568 9.347 ( -6.417 -1.153 0.858) 6.576 9.930 ( 4.482 0.285 -2.525) 5.153 10.461 ( -0.393 -17.356 5.527) 18.219 13.919 ( -12.889 1.007 -3.601) 13.420======================= Grid point 919 (321/417) =======================q-point: ( 0.75 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.612 ( 4.517 -0.314 0.890) 4.615 2.772 ( 5.495 7.269 2.111) 9.353 2.841 ( -0.091 0.425 -0.785) 0.897 3.706 ( -4.672 -2.590 -1.390) 5.520 4.628 ( 19.900 12.684 0.353) 23.601 5.734 ( -7.478 -1.190 -0.296) 7.578 8.179 ( 2.847 4.522 -0.013) 5.344 9.016 ( 6.077 3.248 -1.433) 7.038 9.223 ( -5.881 -1.645 0.937) 6.179 10.058 ( 8.673 1.515 -3.794) 9.587 10.380 ( 1.406 -4.009 4.856) 6.452 13.710 ( -8.975 -1.412 -1.276) 9.174======================= Grid point 920 (322/417) =======================q-point: ( 0.81 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1032Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.661 ( 0.382 0.661 -0.000) 0.764 2.811 ( 0.322 0.557 -0.000) 0.643 2.982 ( 4.853 8.405 -0.000) 9.705 3.574 ( -3.979 -6.891 -0.000) 7.958 5.064 ( 10.351 17.929 -0.000) 20.702 5.523 ( -7.184 -12.444 -0.000) 14.369 8.223 ( -0.355 -0.614 -0.000) 0.710 9.115 ( 2.844 4.926 0.000) 5.688 9.131 ( -1.871 -3.240 -0.000) 3.742 10.143 ( -0.049 -0.085 -0.000) 0.098 10.439 ( 2.344 4.060 0.000) 4.688 13.596 ( -1.240 -2.148 -0.000) 2.481======================= Grid point 933 (323/417) =======================q-point: ( 0.56 0.56 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( 0.000 2.773 0.241) 2.784 2.423 ( 0.000 1.634 7.573) 7.747 2.916 ( -0.000 -0.486 -4.170) 4.198 3.159 ( -0.000 10.407 -0.397) 10.414 3.919 ( -0.000 5.061 -0.580) 5.094 5.665 ( -0.000 17.079 -0.941) 17.104 7.807 ( -0.000 5.307 -1.172) 5.435 8.057 ( -0.000 3.974 -8.736) 9.597 9.544 ( 0.000 -0.291 3.157) 3.171 9.932 ( 0.000 5.136 0.669) 5.180 10.716 ( 0.000 -35.623 4.897) 35.958 14.368 ( -0.000 5.773 -6.607) 8.774======================= Grid point 934 (324/417) =======================q-point: ( 0.62 0.56 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 5.682 2.347 0.310) 6.155 2.478 ( 1.897 0.674 9.022) 9.244 2.901 ( -0.423 0.781 -3.135) 3.258 3.367 ( 12.552 8.405 -0.321) 15.110 3.947 ( -0.864 2.470 -1.197) 2.878 5.817 ( 0.600 12.163 -0.971) 12.216 8.001 ( 16.059 5.105 -0.240) 16.852 8.080 ( -0.794 6.429 -4.715) 8.012 9.537 ( -3.234 2.037 3.366) 5.093 9.952 ( -3.127 1.565 -0.856) 3.600 10.407 ( 2.576 -28.829 3.015) 29.100 14.335 ( -7.562 4.659 -5.770) 10.592======================= Grid point 935 (325/417) =======================q-point: ( 0.69 0.56 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( 8.897 1.602 -0.017) 9.040 2.558 ( 3.773 -0.313 9.471) 10.199 2.898 ( -1.105 2.711 -1.836) 3.456 3.721 ( 15.082 6.911 -1.602) 16.667 3.950 ( 3.647 -0.349 -0.873) 3.766 5.909 ( -1.487 7.006 -0.818) 7.208 8.128 ( -0.742 7.519 -0.199) 7.559 8.429 ( 24.523 5.199 -0.950) 25.086 9.488 ( -6.931 3.427 2.605) 8.159 9.828 ( -1.220 -11.743 -3.527) 12.321 10.298 ( 4.813 -9.897 3.967) 11.698 14.172 ( -13.250 3.313 -4.477) 14.373======================= Grid point 936 (326/417) =======================q-point: ( 0.75 0.56 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.503 ( 6.753 -1.174 0.408) 6.866 2.687 ( 8.412 0.515 6.785) 10.820 2.902 ( -2.513 4.682 0.251) 5.320 3.772 ( -5.077 -0.774 -4.209) 6.641 4.286 ( 25.674 3.195 0.774) 25.883 5.881 ( -6.880 1.903 -0.896) 7.194 8.189 ( 0.169 4.011 1.061) 4.153 8.853 ( 16.347 3.859 -2.118) 16.929 9.366 ( -9.051 0.068 1.936) 9.256 9.806 ( 11.858 -4.889 -4.427) 13.569 10.327 ( 3.216 -3.241 5.468) 7.123 13.935 ( -14.903 2.460 -2.514) 15.313======================= Grid point 951 (327/417) =======================q-point: ( 0.62 0.62 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 0.000 1.594 0.645) 1.719 2.493 ( 0.000 -0.853 10.862) 10.895 2.915 ( -0.000 2.863 -1.602) 3.281 3.319 ( -0.000 5.440 -0.079) 5.440 3.970 ( -0.000 0.955 -2.402) 2.585 5.913 ( -0.000 8.418 -0.977) 8.475 7.888 ( 0.000 3.133 1.062) 3.308 8.167 ( 0.000 9.627 0.317) 9.632 9.612 ( 0.000 4.508 2.797) 5.305 10.024 ( -0.000 3.338 -1.201) 3.547 10.068 ( -0.000 -28.781 -0.659) 28.788 14.430 ( -0.000 4.001 -5.633) 6.909======================= Grid point 952 (328/417) =======================q-point: ( 0.69 0.62 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( 5.639 0.865 0.595) 5.736 2.526 ( 1.765 -2.848 10.977) 11.477 2.951 ( -0.527 5.520 0.527) 5.570 3.484 ( 13.433 3.168 -0.089) 13.802 3.945 ( -1.718 -1.109 -3.578) 4.121 5.976 ( -0.128 4.220 -0.811) 4.299 8.073 ( 15.770 2.308 0.954) 15.967 8.270 ( -0.967 11.286 5.613) 12.641 9.645 ( -2.188 5.310 0.716) 5.788 9.720 ( -6.990 -18.103 -3.545) 19.727 10.131 ( 7.299 -2.229 0.012) 7.632 14.378 ( -7.675 3.001 -5.104) 9.693======================= Grid point 954 (329/417) =======================q-point: (-0.25 -0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.364 ( 7.699 -0.779 0.148) 7.740 2.574 ( 4.823 -4.046 8.697) 10.736 3.005 ( -1.667 7.357 3.211) 8.199 3.788 ( 9.219 1.455 -4.090) 10.190 3.903 ( 9.682 -3.502 -0.866) 10.332 5.972 ( -2.727 -0.228 -1.057) 2.934 8.263 ( -1.126 2.979 3.847) 4.994 8.538 ( 20.267 5.298 1.993) 21.043 9.460 ( -4.216 -9.977 -2.914) 11.216 9.677 ( -0.046 7.438 -1.135) 7.525 10.229 ( 5.844 -2.625 2.150) 6.757 14.206 ( -12.962 2.660 -3.770) 13.759======================= Grid point 970 (330/417) =======================q-point: (-0.31 -0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.192 ( 0.000 0.147 0.955) 0.966 2.508 ( 0.000 -4.820 10.722) 11.755 3.032 ( 0.000 7.980 3.634) 8.768 3.376 ( 0.000 0.229 0.077) 0.242 3.931 ( -0.000 -2.290 -5.058) 5.552 5.998 ( -0.000 0.388 -0.653) 0.760 7.954 ( 0.000 1.946 2.924) 3.512 8.434 ( 0.000 11.766 10.937) 16.064 9.528 ( -0.000 -15.631 -6.960) 17.111 9.805 ( 0.000 8.205 1.266) 8.302 10.033 ( -0.000 -1.387 -2.716) 3.049 14.454 ( -0.000 1.954 -5.438) 5.778======================= Grid point 971 (331/417) =======================q-point: (-0.25 -0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( 5.072 -0.941 0.669) 5.201 2.494 ( 1.581 -6.373 8.753) 10.942 3.128 ( -0.992 8.964 6.370) 11.042 3.492 ( 13.877 -2.295 0.038) 14.065 3.864 ( -2.103 -3.392 -6.305) 7.462 5.973 ( -0.608 -4.197 -0.996) 4.356 8.111 ( 13.722 0.127 2.262) 13.908 8.529 ( -3.789 4.880 10.784) 12.429 9.390 ( -0.242 -3.789 -5.003) 6.280 9.832 ( -5.219 9.541 -1.367) 10.961 10.095 ( 7.113 -0.915 -0.699) 7.205 14.391 ( -6.918 1.511 -4.989) 8.662======================= Grid point 988 (332/417) =======================q-point: (-0.25 -0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( 0.000 -1.654 0.886) 1.876 2.437 ( 0.000 -7.804 7.660) 10.935 3.253 ( 0.000 8.593 8.745) 12.260 3.329 ( 0.000 -4.932 0.097) 4.933 3.825 ( -0.000 -3.488 -7.613) 8.374 5.907 ( -0.000 -9.133 -1.283) 9.223 7.990 ( 0.000 -0.815 2.943) 3.054 8.607 ( 0.000 -5.931 6.995) 9.171 9.426 ( 0.000 13.042 2.285) 13.240 9.945 ( -0.000 -4.907 -2.712) 5.607 10.044 ( -0.000 14.686 -2.517) 14.900 14.444 ( -0.000 0.766 -5.612) 5.664======================= Grid point 1109 (333/417) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 417Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 0.000 -0.000 19.005) 19.005 0.823 ( 0.000 -0.000 19.005) 19.005 1.742 ( 0.000 -0.000 42.205) 42.205 1.942 ( -0.000 0.000 -5.607) 5.607 1.942 ( -0.000 0.000 -5.607) 5.607 4.647 ( -0.000 0.000 -17.731) 17.731 6.613 ( 0.000 -0.000 3.161) 3.161 6.613 ( 0.000 -0.000 3.161) 3.161 10.318 ( -0.000 0.000 -1.733) 1.733 10.318 ( -0.000 0.000 -1.733) 1.733 13.536 ( 0.000 -0.000 1.532) 1.532 13.757 ( -0.000 0.000 -0.844) 0.844======================= Grid point 1110 (334/417) =======================q-point: ( 0.31 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( 11.519 6.650 15.944) 20.764 1.252 ( 19.381 11.190 17.098) 28.163 1.953 ( 2.745 1.585 -5.853) 6.656 1.994 ( 12.513 7.225 34.098) 37.034 2.085 ( 13.647 7.879 -6.240) 16.949 4.252 ( -14.867 -8.583 -9.208) 19.481 6.678 ( 4.569 2.638 2.999) 6.069 7.710 ( 62.708 36.204 -19.928) 75.101 9.992 ( -23.241 -13.418 -3.647) 27.083 10.278 ( -3.153 -1.821 -1.733) 4.033 13.468 ( -7.359 -4.249 4.532) 9.631 13.855 ( 7.737 4.467 -7.753) 11.829======================= Grid point 1111 (335/417) =======================q-point: ( 0.38 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 15.145 8.744 11.548) 20.957 1.608 ( 7.367 4.253 19.806) 21.556 2.039 ( 6.548 3.780 -5.902) 9.592 2.393 ( 14.719 8.498 11.034) 20.264 2.673 ( 33.623 19.412 1.822) 38.867 4.003 ( -4.762 -2.749 -9.812) 11.248 6.841 ( 8.575 4.951 2.546) 10.224 8.658 ( 10.462 6.040 -0.278) 12.084 9.538 ( -0.107 -0.062 -23.194) 23.195 10.169 ( -5.422 -3.131 -1.684) 6.484 13.250 ( -12.997 -7.504 10.725) 18.446 13.953 ( 2.950 1.703 -14.917) 15.301======================= Grid point 1112 (336/417) =======================q-point: ( 0.44 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 10.724 6.191 7.051) 14.249 1.816 ( 6.754 3.899 15.562) 17.407 2.241 ( 12.399 7.158 -4.200) 14.920 2.761 ( 13.328 7.695 7.710) 17.213 3.407 ( 24.095 13.911 -8.619) 29.127 4.007 ( 10.956 6.325 -2.673) 12.930 7.085 ( 11.417 6.591 1.883) 13.317 8.363 ( -21.209 -12.245 5.529) 25.107 9.780 ( 14.332 8.274 -23.223) 28.516 10.031 ( -5.624 -3.247 -1.477) 6.660 12.914 ( -19.846 -11.458 12.756) 26.228 13.930 ( 0.538 0.311 -14.348) 14.362======================= Grid point 1113 (337/417) =======================q-point: ( 0.50 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( 6.193 3.575 2.646) 7.625 2.043 ( 9.163 5.290 10.070) 14.607 2.565 ( 15.054 8.692 -1.501) 17.448 3.018 ( 6.543 3.778 2.106) 7.843 3.652 ( 6.131 3.540 -11.206) 13.255 4.548 ( 28.277 16.326 3.548) 32.844 7.368 ( 11.979 6.916 0.966) 13.866 7.968 ( -12.313 -7.109 2.524) 14.440 9.896 ( 1.663 0.960 -16.502) 16.613 9.917 ( -3.428 -1.979 -0.916) 4.063 12.376 ( -29.030 -16.760 7.422) 34.333 13.939 ( 3.509 2.026 -6.312) 7.501======================= Grid point 1114 (338/417) =======================q-point: ( 0.56 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.048 ( 4.310 2.488 0.516) 5.003 2.301 ( 10.573 6.104 4.967) 13.180 2.895 ( 13.016 7.515 -0.450) 15.036 3.075 ( -0.414 -0.239 -6.280) 6.298 3.763 ( 5.088 2.937 -1.846) 6.158 5.169 ( 22.973 13.263 2.607) 26.655 7.629 ( 9.837 5.680 -0.307) 11.363 7.829 ( -0.113 -0.065 0.946) 0.955 9.810 ( -3.784 -2.184 -11.814) 12.596 9.877 ( 0.220 0.127 0.154) 0.297 11.633 ( -34.947 -20.177 1.736) 40.391 14.043 ( 5.636 3.254 0.968) 6.579======================= Grid point 1115 (339/417) =======================q-point: ( 0.62 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( 2.984 1.723 -0.440) 3.474 2.556 ( 10.454 6.035 -0.702) 12.091 2.995 ( -3.661 -2.114 -9.157) 10.086 3.156 ( 9.199 5.311 -0.172) 10.624 3.856 ( 2.361 1.363 3.527) 4.458 5.621 ( 15.136 8.738 1.786) 17.568 7.816 ( 6.494 3.749 -1.732) 7.696 7.949 ( 9.724 5.614 -1.412) 11.317 9.694 ( -2.786 -1.609 -7.058) 7.757 9.919 ( 2.708 1.563 1.503) 3.470 10.805 ( -34.965 -20.187 -0.341) 40.376 14.186 ( 5.434 3.137 4.605) 7.783======================= Grid point 1116 (340/417) =======================q-point: ( 0.69 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( 1.615 0.932 -0.888) 2.065 2.737 ( 3.164 1.827 -13.190) 13.687 2.907 ( 1.502 0.867 -1.071) 2.039 3.319 ( 4.783 2.762 -0.103) 5.524 3.892 ( -0.437 -0.252 5.569) 5.592 5.892 ( 7.822 4.516 1.048) 9.093 7.927 ( 3.831 2.212 -2.813) 5.243 8.234 ( 14.823 8.558 -6.109) 18.173 9.653 ( 0.055 0.032 -1.734) 1.735 9.986 ( 1.924 1.111 2.581) 3.405 10.056 ( -27.537 -15.899 0.772) 31.807 14.313 ( 3.797 2.192 5.932) 7.377======================= Grid point 1117 (341/417) =======================q-point: (-0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.202 ( 0.136 0.079 -1.023) 1.035 2.619 ( -5.862 -3.384 -12.215) 13.965 3.069 ( 9.277 5.356 -4.052) 11.453 3.377 ( 0.214 0.123 -0.088) 0.262 3.874 ( -2.636 -1.522 6.626) 7.292 5.991 ( 0.291 0.168 0.800) 0.868 7.984 ( 1.865 1.077 -3.249) 3.898 8.548 ( 12.702 7.333 -12.658) 19.373 9.460 ( -14.486 -8.364 7.026) 18.143 9.813 ( 5.872 3.390 -0.477) 6.797 10.005 ( -1.342 -0.775 3.025) 3.398 14.398 ( 1.847 1.066 6.160) 6.519======================= Grid point 1126 (342/417) =======================q-point: ( 0.31 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 0.000 15.213 14.429) 20.967 1.254 ( 0.000 24.774 15.943) 29.461 1.939 ( -0.000 3.497 -6.672) 7.533 2.053 ( -0.000 14.890 -6.440) 16.223 2.094 ( 0.000 10.269 35.019) 36.493 4.220 ( -0.000 -16.369 -11.020) 19.732 6.689 ( 0.000 5.529 2.922) 6.254 7.633 ( -0.000 67.605 -15.640) 69.391 10.048 ( -0.000 -19.978 -5.342) 20.680 10.258 ( -0.000 -4.401 -1.583) 4.677 13.467 ( 0.000 -10.184 4.790) 11.254 13.820 ( -0.000 6.934 -6.609) 9.579======================= Grid point 1127 (343/417) =======================q-point: ( 0.38 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( 5.066 17.674 12.185) 22.057 1.618 ( 6.626 11.815 17.273) 21.951 1.992 ( 3.265 6.470 -6.739) 9.896 2.303 ( 9.988 13.335 4.939) 17.378 2.478 ( 16.080 25.583 12.530) 32.712 4.011 ( -4.060 -6.261 -11.101) 13.376 6.808 ( 4.436 8.495 2.622) 9.936 8.439 ( 22.983 31.581 -7.438) 39.761 9.643 ( -16.499 -10.631 -14.643) 24.488 10.193 ( -1.787 -4.918 -2.078) 5.630 13.314 ( -4.731 -15.306 9.441) 18.595 13.896 ( 2.471 5.590 -12.434) 13.855======================= Grid point 1128 (344/417) =======================q-point: ( 0.44 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 6.683 13.122 8.785) 17.147 1.832 ( 3.460 6.381 15.611) 17.216 2.159 ( 7.646 12.479 -5.243) 15.546 2.647 ( 12.122 10.270 8.267) 17.910 3.141 ( 23.180 23.818 -3.094) 33.379 3.935 ( 2.789 4.168 -7.363) 8.909 7.026 ( 7.540 11.808 2.298) 14.197 8.573 ( -14.222 -15.183 7.944) 22.269 9.555 ( 10.542 12.849 -23.691) 28.939 10.090 ( -4.055 -2.960 -3.222) 5.965 13.053 ( -9.779 -19.481 12.517) 25.136 13.909 ( -0.821 3.938 -14.811) 15.348======================= Grid point 1129 (345/417) =======================q-point: ( 0.50 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 3.958 8.209 3.893) 9.911 2.014 ( 5.230 6.660 11.550) 14.322 2.470 ( 10.762 17.103 -1.848) 20.292 2.940 ( 8.508 5.338 4.476) 10.996 3.536 ( 8.383 7.084 -12.378) 16.543 4.293 ( 22.436 20.454 2.487) 30.461 7.312 ( 8.457 14.658 1.897) 17.029 8.141 ( -16.087 -11.607 4.067) 20.249 9.744 ( 7.418 0.125 -13.284) 15.215 9.983 ( -4.394 -0.872 -5.112) 6.797 12.625 ( -18.993 -23.169 8.738) 31.207 13.899 ( 0.903 3.466 -9.018) 9.703======================= Grid point 1130 (346/417) =======================q-point: ( 0.56 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.044 ( 2.263 6.996 1.173) 7.446 2.227 ( 7.602 7.051 7.162) 12.602 2.822 ( 9.408 16.092 -0.150) 18.641 3.055 ( 1.563 1.238 -4.173) 4.624 3.687 ( 6.545 4.989 -4.344) 9.305 4.928 ( 23.300 18.479 2.531) 29.846 7.607 ( 6.365 15.933 1.202) 17.200 7.875 ( -6.310 -3.380 2.861) 7.708 9.761 ( 1.673 -3.614 -10.043) 10.804 9.886 ( -2.617 -1.846 -3.089) 4.450 11.980 ( -28.464 -24.029 2.229) 37.317 13.964 ( 5.229 1.577 -0.986) 5.550======================= Grid point 1131 (347/417) =======================q-point: ( 0.62 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( 0.934 6.544 -0.002) 6.610 2.456 ( 8.479 6.673 1.999) 10.974 2.983 ( -0.963 -1.975 -6.526) 6.886 3.155 ( 4.549 16.051 -1.513) 16.752 3.823 ( 4.332 2.753 1.712) 5.411 5.449 ( 17.159 12.529 1.945) 21.335 7.842 ( 3.865 11.564 0.413) 12.200 7.872 ( 2.438 7.337 1.337) 7.846 9.676 ( -1.592 -4.531 -8.507) 9.769 9.878 ( 2.632 -0.273 0.541) 2.701 11.201 ( -32.974 -21.304 -1.404) 39.282 14.089 ( 7.683 -0.986 3.691) 8.580======================= Grid point 1132 (348/417) =======================q-point: ( 0.69 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.209 ( -0.461 5.991 -0.561) 6.035 2.649 ( 6.250 4.932 -6.941) 10.563 2.899 ( -1.743 -2.012 -3.993) 4.799 3.365 ( 1.058 14.902 -0.190) 14.941 3.896 ( 1.317 0.099 4.081) 4.289 5.793 ( 10.421 6.936 1.405) 12.597 8.007 ( -2.347 15.454 -1.035) 15.665 8.055 ( 11.638 6.014 -1.757) 13.217 9.611 ( 1.656 -2.954 -4.426) 5.573 9.918 ( 1.155 -4.146 2.514) 4.984 10.456 ( -29.225 -11.661 -1.783) 31.516 14.222 ( 7.816 -3.147 5.435) 10.027======================= Grid point 1133 (349/417) =======================q-point: ( 0.75 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.242 ( -1.926 5.138 -0.775) 5.542 2.642 ( -4.026 -1.011 -13.034) 13.678 2.959 ( 7.218 3.417 -0.940) 8.041 3.483 ( -3.843 13.034 0.042) 13.589 3.903 ( -0.864 -2.184 5.159) 5.668 5.967 ( 3.884 1.976 0.937) 4.457 8.087 ( -4.891 14.169 -1.955) 15.116 8.334 ( 13.682 5.914 -7.530) 16.699 9.633 ( -5.972 -3.862 3.247) 7.818 9.698 ( -2.690 -12.002 0.711) 12.320 10.131 ( -7.291 6.141 0.026) 9.532 14.326 ( 6.443 -4.609 5.650) 9.730======================= Grid point 1143 (350/417) =======================q-point: ( 0.38 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.547 ( 0.000 15.633 10.456) 18.807 1.755 ( 0.000 13.542 15.299) 20.431 2.007 ( -0.000 8.422 -7.744) 11.441 2.390 ( 0.000 16.657 6.107) 17.741 2.673 ( 0.000 31.724 9.559) 33.133 3.950 ( -0.000 -3.584 -11.392) 11.943 6.871 ( 0.000 10.732 2.073) 10.931 8.542 ( 0.000 21.221 1.565) 21.278 9.651 ( -0.000 -4.475 -23.426) 23.850 10.130 ( -0.000 -7.095 -1.044) 7.171 13.199 ( 0.000 -20.996 11.730) 24.051 13.906 ( -0.000 7.756 -12.875) 15.030======================= Grid point 1144 (351/417) =======================q-point: ( 0.44 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 3.938 11.427 7.808) 14.389 1.921 ( 0.678 8.943 12.867) 15.684 2.154 ( 6.655 14.435 -5.881) 16.948 2.630 ( 5.997 13.402 8.398) 16.915 3.112 ( 10.024 28.925 -1.664) 30.658 3.928 ( 1.529 7.204 -7.721) 10.670 7.048 ( 5.513 13.493 1.713) 14.676 8.606 ( -4.321 -12.863 8.467) 15.994 9.554 ( -2.173 12.291 -24.554) 27.544 10.066 ( 0.516 -5.758 -2.899) 6.467 12.976 ( -3.550 -25.281 13.761) 29.002 13.936 ( -0.976 7.313 -14.303) 16.094======================= Grid point 1145 (352/417) =======================q-point: ( 0.50 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 3.975 7.835 3.893) 9.610 2.061 ( 1.866 7.843 9.861) 12.737 2.477 ( 10.464 19.891 -2.097) 22.573 2.878 ( 6.759 6.868 5.452) 11.071 3.453 ( 6.922 11.828 -10.596) 17.323 4.209 ( 13.491 24.580 0.763) 28.049 7.338 ( 8.713 17.142 1.807) 19.314 8.284 ( -13.189 -14.800 3.091) 20.063 9.617 ( 3.537 4.117 -12.129) 13.288 9.998 ( -1.625 -3.881 -5.371) 6.823 12.636 ( -9.340 -28.763 11.623) 32.398 13.928 ( -2.366 5.953 -11.611) 13.261======================= Grid point 1146 (353/417) =======================q-point: ( 0.56 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( 2.799 8.315 1.510) 8.902 2.218 ( 4.408 7.200 7.155) 11.066 2.852 ( 8.199 18.181 0.649) 19.955 3.017 ( 4.238 3.380 -2.931) 6.162 3.625 ( 5.883 8.044 -5.101) 11.195 4.771 ( 18.891 23.812 1.814) 30.450 7.683 ( 7.576 19.441 2.000) 20.961 7.981 ( -8.845 -5.094 1.940) 10.390 9.651 ( 2.982 -2.311 -7.680) 8.557 9.895 ( -2.974 -4.300 -4.555) 6.934 12.131 ( -17.839 -29.167 5.509) 34.631 13.921 ( 0.205 2.507 -4.995) 5.592======================= Grid point 1147 (354/417) =======================q-point: ( 0.62 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 0.761 9.061 0.392) 9.101 2.403 ( 6.456 6.484 3.732) 9.882 2.960 ( -0.480 -1.615 -4.311) 4.628 3.253 ( 6.079 20.401 -1.855) 21.368 3.787 ( 4.749 5.896 0.567) 7.592 5.298 ( 16.696 16.255 1.418) 23.345 7.842 ( 0.128 1.547 2.450) 2.901 8.042 ( 2.131 22.113 1.987) 22.304 9.611 ( -0.314 -5.784 -7.877) 9.778 9.834 ( 1.382 -1.145 -0.857) 1.988 11.479 ( -25.066 -25.344 -0.163) 35.646 13.959 ( 4.727 -2.349 0.803) 5.339======================= Grid point 1148 (355/417) =======================q-point: ( 0.69 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.303 ( -1.111 9.105 -0.066) 9.173 2.581 ( 6.013 5.501 -2.312) 8.472 2.897 ( -1.872 -2.260 -4.144) 5.078 3.525 ( 2.224 18.764 -0.060) 18.895 3.898 ( 1.275 4.388 2.382) 5.153 5.679 ( 11.911 8.554 1.239) 14.717 7.942 ( 6.625 4.531 1.635) 8.191 8.275 ( -3.165 23.446 1.373) 23.699 9.522 ( 1.010 -6.116 -5.506) 8.291 9.877 ( 1.956 -0.314 1.298) 2.368 10.795 ( -25.970 -16.611 -3.164) 30.990 14.037 ( 8.170 -6.472 3.740) 11.074======================= Grid point 1149 (356/417) =======================q-point: ( 0.75 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.356 ( -2.941 8.304 -0.265) 8.813 2.657 ( -1.077 2.621 -10.993) 11.353 2.884 ( 3.653 0.757 1.051) 3.876 3.704 ( -1.104 14.156 1.823) 14.315 3.936 ( -3.197 5.069 2.014) 6.322 5.900 ( 6.779 2.268 1.110) 7.234 8.135 ( 8.944 4.012 -1.778) 9.963 8.422 ( -6.537 23.078 0.603) 23.993 9.514 ( 5.908 -4.754 -2.864) 8.106 9.791 ( -10.402 -7.546 4.187) 13.516 10.336 ( -12.401 -0.091 -3.920) 13.006 14.128 ( 9.382 -8.970 4.449) 13.721======================= Grid point 1160 (357/417) =======================q-point: ( 0.44 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 0.000 7.657 4.943) 9.114 2.045 ( 0.000 8.129 10.386) 13.189 2.223 ( -0.000 17.052 -5.001) 17.770 2.745 ( 0.000 12.408 8.176) 14.860 3.295 ( -0.000 22.497 -6.647) 23.459 4.017 ( -0.000 19.371 -3.484) 19.682 7.135 ( 0.000 14.053 0.546) 14.064 8.528 ( 0.000 -16.176 5.352) 17.039 9.627 ( -0.000 10.634 -22.762) 25.123 9.978 ( -0.000 -7.047 -0.057) 7.047 12.775 ( 0.000 -29.422 14.983) 33.017 13.987 ( -0.000 8.992 -13.791) 16.464======================= Grid point 1161 (358/417) =======================q-point: ( 0.50 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( 3.587 5.688 2.286) 7.102 2.152 ( 0.324 7.370 7.534) 10.544 2.482 ( 9.412 18.959 -2.416) 21.304 2.888 ( 2.060 6.389 4.851) 8.282 3.469 ( 2.600 12.955 -8.931) 15.948 4.324 ( 5.778 30.571 0.675) 31.119 7.354 ( 7.883 15.518 0.156) 17.406 8.310 ( -6.511 -14.883 -0.808) 16.265 9.622 ( -2.025 4.203 -11.011) 11.958 9.933 ( 1.358 -5.440 -2.291) 6.057 12.475 ( -3.794 -32.802 13.654) 35.732 14.012 ( -2.741 8.333 -12.188) 15.017======================= Grid point 1162 (359/417) =======================q-point: ( 0.56 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.094 ( 5.543 6.170 1.283) 8.393 2.261 ( 1.639 7.019 5.308) 8.951 2.875 ( 11.423 18.554 0.126) 21.789 2.962 ( 2.956 1.323 -1.603) 3.614 3.620 ( 3.770 10.581 -4.298) 12.027 4.782 ( 10.539 28.556 1.045) 30.456 7.707 ( 11.823 17.365 0.541) 21.014 8.061 ( -6.620 -6.708 -2.491) 9.748 9.592 ( -0.464 -0.736 -4.805) 4.883 9.872 ( -1.350 -4.881 -2.863) 5.818 12.063 ( -8.836 -33.937 9.393) 36.304 13.982 ( -4.551 5.344 -8.356) 10.913======================= Grid point 1163 (360/417) =======================q-point: ( 0.62 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.263 ( 4.766 7.955 0.517) 9.288 2.386 ( 3.506 5.954 3.711) 7.843 2.939 ( -0.458 -1.923 -2.559) 3.234 3.302 ( 11.151 19.184 -1.536) 22.242 3.783 ( 4.478 8.609 -0.112) 9.705 5.233 ( 11.498 20.339 0.708) 23.375 7.881 ( -2.004 1.008 -0.211) 2.253 8.168 ( 10.096 19.949 0.818) 22.374 9.542 ( -1.019 -4.940 -4.407) 6.699 9.808 ( -0.243 -0.933 -1.210) 1.547 11.548 ( -14.581 -30.848 3.851) 34.337 13.923 ( -2.798 0.317 -3.396) 4.412======================= Grid point 1164 (361/417) =======================q-point: ( 0.69 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.407 ( 0.976 9.686 0.408) 9.743 2.527 ( 5.588 4.446 0.231) 7.145 2.891 ( -1.318 -2.149 -2.765) 3.742 3.615 ( 5.398 12.745 -0.179) 13.842 3.959 ( 3.792 12.446 1.028) 13.052 5.579 ( 9.727 10.431 0.573) 14.274 7.917 ( 2.783 4.936 1.428) 5.844 8.520 ( 4.017 21.814 1.639) 22.241 9.437 ( -1.323 -7.100 -3.928) 8.221 9.851 ( 2.852 3.323 0.041) 4.380 10.983 ( -18.292 -22.704 -0.926) 29.171 13.883 ( 1.894 -5.294 0.643) 5.659======================= Grid point 1165 (362/417) =======================q-point: ( 0.75 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( -2.205 8.660 0.282) 8.941 2.652 ( 3.328 5.089 -5.843) 8.433 2.852 ( 0.181 -1.128 0.392) 1.208 3.748 ( 2.358 1.241 2.380) 3.573 4.159 ( -1.876 21.232 -0.164) 21.315 5.789 ( 7.477 1.337 0.691) 7.627 8.059 ( 5.458 6.050 0.948) 8.203 8.743 ( -2.824 19.369 2.040) 19.680 9.365 ( 2.839 -6.591 -2.856) 7.724 9.904 ( -3.492 2.947 2.839) 5.379 10.511 ( -13.621 -8.728 -4.808) 16.877 13.889 ( 6.770 -9.632 2.629) 12.063======================= Grid point 1178 (363/417) =======================q-point: ( 0.50 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 0.000 4.611 0.851) 4.689 2.238 ( 0.000 6.227 5.233) 8.134 2.570 ( -0.000 18.061 -1.809) 18.151 2.934 ( 0.000 2.668 2.071) 3.377 3.553 ( -0.000 12.544 -6.022) 13.915 4.605 ( 0.000 32.984 0.713) 32.992 7.420 ( -0.000 13.642 -1.151) 13.690 8.214 ( -0.000 -12.140 -6.056) 13.567 9.642 ( -0.000 0.404 -7.284) 7.295 9.869 ( 0.000 -3.529 1.051) 3.683 12.202 ( 0.000 -35.967 13.211) 38.317 14.092 ( -0.000 9.116 -11.241) 14.473======================= Grid point 1179 (364/417) =======================q-point: ( 0.56 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( 4.484 4.500 0.405) 6.366 2.319 ( 0.949 5.810 3.730) 6.969 2.841 ( 10.564 16.991 -1.213) 20.044 2.945 ( -0.044 -0.624 -0.303) 0.695 3.675 ( 1.439 11.190 -2.699) 11.600 4.963 ( 3.726 29.697 0.257) 29.931 7.647 ( 10.829 13.177 -1.279) 17.104 8.060 ( -3.062 -6.428 -7.983) 10.697 9.598 ( -1.871 -1.915 -1.533) 3.085 9.846 ( -0.558 -1.631 0.426) 1.776 11.837 ( -3.393 -37.452 10.536) 39.054 14.107 ( -4.501 7.679 -9.235) 12.826======================= Grid point 1180 (365/417) =======================q-point: ( 0.62 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 7.485 5.057 0.357) 9.040 2.415 ( 1.968 5.629 3.336) 6.833 2.922 ( -0.496 -2.000 -1.462) 2.527 3.244 ( 14.989 16.446 -0.698) 22.263 3.802 ( 2.601 8.092 -0.766) 8.534 5.313 ( 5.184 22.796 -0.025) 23.378 7.913 ( -0.160 2.435 -4.186) 4.845 8.085 ( 15.992 11.925 -2.506) 20.105 9.528 ( -2.935 -3.810 0.245) 4.816 9.823 ( -1.399 1.467 0.122) 2.031 11.407 ( -6.362 -35.469 6.861) 36.682 14.032 ( -7.800 4.369 -6.318) 10.947======================= Grid point 1181 (366/417) =======================q-point: ( 0.69 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( 8.158 5.930 -0.083) 10.085 2.515 ( 1.749 5.261 2.803) 6.212 2.883 ( -0.947 -1.949 -1.202) 2.478 3.618 ( 8.259 11.713 -0.837) 14.356 3.963 ( 8.532 9.383 0.231) 12.685 5.582 ( 3.954 13.758 -0.073) 14.315 7.933 ( 1.395 5.205 -1.908) 5.717 8.533 ( 16.159 14.837 -0.885) 21.956 9.417 ( -4.323 -5.114 0.195) 6.699 9.852 ( 1.494 4.652 -0.217) 4.891 10.962 ( -8.689 -28.387 3.321) 29.872 13.900 ( -7.356 -0.192 -2.932) 7.921======================= Grid point 1182 (367/417) =======================q-point: ( 0.75 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1034Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.588 ( 1.772 3.069 -0.000) 3.544 2.608 ( 5.046 8.739 -0.000) 10.091 2.848 ( -0.731 -1.266 0.000) 1.462 3.732 ( 0.366 0.634 -0.000) 0.733 4.300 ( 10.658 18.459 -0.000) 21.315 5.719 ( 1.927 3.338 -0.000) 3.855 8.049 ( 4.132 7.156 -0.000) 8.263 8.875 ( 6.777 11.738 -0.000) 13.554 9.295 ( -3.023 -5.237 -0.000) 6.047 9.961 ( 3.742 6.481 -0.000) 7.484 10.583 ( -8.828 -15.291 -0.000) 17.656 13.775 ( -2.901 -5.025 -0.000) 5.802======================= Grid point 1196 (368/417) =======================q-point: ( 0.56 0.56 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.055 ( 0.000 3.789 0.074) 3.790 2.373 ( 0.000 4.924 3.005) 5.768 2.900 ( -0.000 14.962 -0.733) 14.980 2.932 ( -0.000 -1.705 -0.474) 1.769 3.766 ( -0.000 9.898 -1.345) 9.989 5.220 ( -0.000 26.563 -0.589) 26.570 7.651 ( -0.000 9.825 -1.662) 9.964 8.005 ( -0.000 -2.827 -10.126) 10.514 9.592 ( 0.000 -2.716 2.130) 3.452 9.859 ( 0.000 1.774 1.250) 2.170 11.506 ( 0.000 -39.277 8.927) 40.279 14.204 ( -0.000 8.052 -8.544) 11.740======================= Grid point 1197 (369/417) =======================q-point: ( 0.62 0.56 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( 5.237 3.612 0.192) 6.365 2.446 ( 1.536 4.678 3.963) 6.321 2.907 ( -0.459 -1.817 -0.420) 1.921 3.147 ( 11.480 13.172 -0.324) 17.476 3.852 ( 0.291 6.878 -1.075) 6.968 5.479 ( 1.841 21.132 -0.954) 21.233 7.859 ( 12.491 8.688 -1.245) 15.266 7.964 ( 0.572 2.297 -7.964) 8.309 9.556 ( -2.541 -2.211 3.704) 5.007 9.878 ( -1.407 3.571 0.543) 3.876 11.121 ( -1.538 -37.978 6.407) 38.546 14.200 ( -6.194 6.583 -7.132) 11.514======================= Grid point 1198 (370/417) =======================q-point: ( 0.69 0.56 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( 8.638 3.533 0.127) 9.333 2.543 ( 2.312 4.514 5.482) 7.468 2.879 ( -0.778 -1.305 -0.457) 1.587 3.528 ( 15.559 11.810 -0.587) 19.542 3.915 ( 2.624 3.576 -1.150) 4.582 5.689 ( 1.207 14.645 -0.820) 14.717 7.967 ( 0.129 6.646 -3.589) 7.554 8.290 ( 22.385 8.630 -1.780) 24.057 9.478 ( -5.335 -1.571 3.451) 6.545 9.886 ( -1.136 2.760 -0.753) 3.078 10.756 ( -1.306 -30.968 4.778) 31.362 14.080 ( -10.875 4.035 -5.121) 12.680======================= Grid point 1214 (371/417) =======================q-point: ( 0.62 0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.125 ( 0.000 2.918 0.366) 2.941 2.491 ( 0.000 4.105 6.235) 7.465 2.896 ( 0.000 -1.369 0.228) 1.388 3.156 ( -0.000 10.541 -0.233) 10.544 3.908 ( -0.000 4.801 -1.708) 5.096 5.653 ( -0.000 17.012 -1.454) 17.074 7.801 ( -0.000 5.950 -0.186) 5.953 7.988 ( -0.000 6.355 -5.596) 8.468 9.582 ( 0.000 -0.282 4.622) 4.630 9.935 ( -0.000 4.553 -0.105) 4.554 10.759 ( 0.000 -37.915 3.995) 38.124 14.303 ( -0.000 6.493 -6.888) 9.465======================= Grid point 1216 (372/417) =======================q-point: (-0.31 -0.38 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( 5.556 2.442 0.495) 6.089 2.568 ( 1.598 2.979 9.359) 9.951 2.883 ( -0.575 0.272 -0.396) 0.749 3.365 ( 12.423 8.444 -0.100) 15.021 3.929 ( -0.721 1.945 -2.689) 3.396 5.806 ( 0.733 12.272 -1.273) 12.359 8.001 ( 15.856 5.216 0.193) 16.693 8.051 ( -0.955 10.023 -1.177) 10.137 9.571 ( -3.425 1.434 3.851) 5.350 9.939 ( -3.654 0.263 -1.746) 4.059 10.434 ( 3.541 -30.311 2.639) 30.631 14.278 ( -7.198 5.161 -6.021) 10.710======================= Grid point 1233 (373/417) =======================q-point: (-0.31 -0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( 0.000 1.728 0.831) 1.918 2.608 ( 0.000 0.146 13.003) 13.004 2.905 ( -0.000 3.582 -0.479) 3.614 3.319 ( -0.000 5.502 0.013) 5.502 3.939 ( -0.000 0.267 -4.061) 4.069 5.903 ( -0.000 8.726 -1.064) 8.791 7.904 ( 0.000 3.856 2.076) 4.379 8.186 ( 0.000 13.578 3.579) 14.042 9.635 ( 0.000 2.788 2.107) 3.495 10.009 ( -0.000 2.733 -2.025) 3.402 10.062 ( -0.000 -30.710 -0.602) 30.716 14.372 ( -0.000 4.378 -6.215) 7.602======================= Grid point 1389 (374/417) =======================q-point: ( 0.31 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 408Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( 0.000 -0.000 16.885) 16.885 0.996 ( 0.000 -0.000 16.885) 16.885 1.883 ( -0.000 0.000 -6.621) 6.621 1.883 ( -0.000 0.000 -6.621) 6.621 2.132 ( 0.000 -0.000 38.791) 38.791 4.463 ( -0.000 0.000 -20.366) 20.366 6.643 ( 0.000 -0.000 2.948) 2.948 6.643 ( 0.000 -0.000 2.948) 2.948 10.302 ( -0.000 0.000 -1.626) 1.626 10.302 ( -0.000 0.000 -1.626) 1.626 13.551 ( 0.000 -0.000 1.543) 1.543 13.749 ( -0.000 0.000 -0.909) 0.909======================= Grid point 1390 (375/417) =======================q-point: ( 0.38 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 10.034 5.793 15.208) 19.119 1.406 ( 20.700 11.951 15.140) 28.294 1.892 ( 2.772 1.601 -6.717) 7.441 2.014 ( 13.904 8.028 -8.103) 17.984 2.321 ( 6.857 3.959 32.717) 33.661 4.139 ( -13.139 -7.586 -14.028) 20.663 6.705 ( 4.467 2.579 2.655) 5.801 7.562 ( 58.428 33.734 -11.475) 68.436 9.963 ( -25.331 -14.625 -2.352) 29.344 10.262 ( -3.166 -1.828 -1.652) 4.012 13.510 ( -4.949 -2.857 4.250) 7.122 13.790 ( 3.675 2.122 -6.041) 7.382======================= Grid point 1391 (376/417) =======================q-point: ( 0.44 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 13.533 7.813 12.178) 19.812 1.782 ( 7.345 4.241 16.152) 18.243 1.978 ( 6.879 3.971 -6.827) 10.474 2.451 ( 19.354 11.174 0.776) 22.362 2.736 ( 24.253 14.003 11.334) 30.212 3.900 ( -3.574 -2.064 -11.535) 12.251 6.865 ( 8.412 4.857 2.235) 9.967 8.658 ( 25.026 14.449 0.222) 28.899 9.351 ( -13.753 -7.940 -15.658) 22.302 10.153 ( -5.402 -3.119 -1.664) 6.456 13.349 ( -11.009 -6.356 9.927) 16.129 13.817 ( 1.157 0.668 -13.291) 13.358======================= Grid point 1392 (377/417) =======================q-point: ( 0.50 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( 8.342 4.816 6.941) 11.872 1.958 ( 5.159 2.979 13.585) 14.834 2.201 ( 13.913 8.033 -3.927) 16.539 2.831 ( 12.257 7.076 6.813) 15.707 3.317 ( 18.301 10.566 -9.805) 23.296 3.986 ( 16.607 9.588 -1.600) 19.243 7.103 ( 11.178 6.453 1.828) 13.036 8.426 ( -23.279 -13.440 7.530) 27.915 9.578 ( 17.272 9.972 -18.451) 27.170 10.016 ( -5.501 -3.176 -1.592) 6.549 13.015 ( -21.034 -12.144 7.743) 25.492 13.812 ( 2.849 1.645 -9.741) 10.282======================= Grid point 1393 (378/417) =======================q-point: ( 0.56 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 4.993 2.883 2.209) 6.174 2.139 ( 7.200 4.157 9.540) 12.654 2.554 ( 15.664 9.044 -0.789) 18.104 3.025 ( 3.083 1.780 -0.806) 3.650 3.559 ( 9.498 5.484 -7.728) 13.417 4.577 ( 28.261 16.316 2.608) 32.737 7.380 ( 11.567 6.678 1.326) 13.422 8.006 ( -13.277 -7.666 5.430) 16.265 9.754 ( 3.030 1.750 -12.802) 13.272 9.906 ( -3.095 -1.787 -1.243) 3.783 12.415 ( -30.766 -17.763 0.748) 35.533 13.905 ( 6.200 3.579 -0.666) 7.190======================= Grid point 1394 (379/417) =======================q-point: ( 0.62 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.052 ( 3.806 2.197 0.373) 4.410 2.347 ( 8.367 4.831 4.415) 10.622 2.893 ( 13.120 7.575 -0.046) 15.150 3.010 ( -2.112 -1.219 -6.848) 7.269 3.753 ( 7.477 4.317 -0.260) 8.637 5.192 ( 22.763 13.142 2.182) 26.375 7.629 ( 9.205 5.315 0.444) 10.638 7.855 ( -1.244 -0.718 4.621) 4.839 9.708 ( -2.465 -1.423 -9.357) 9.781 9.876 ( 0.795 0.459 -0.391) 0.997 11.626 ( -35.476 -20.482 -2.872) 41.064 14.071 ( 6.905 3.987 4.539) 9.175======================= Grid point 1395 (380/417) =======================q-point: ( 0.69 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.128 ( 2.733 1.578 -0.436) 3.185 2.538 ( 7.207 4.161 -3.313) 8.957 2.923 ( -2.834 -1.636 -5.416) 6.328 3.155 ( 9.194 5.308 0.032) 10.617 3.886 ( 3.506 2.024 2.745) 4.891 5.638 ( 14.859 8.579 1.733) 17.244 7.804 ( 5.814 3.357 -0.828) 6.765 7.951 ( 7.720 4.457 2.010) 9.138 9.632 ( -1.180 -0.681 -5.868) 6.024 9.930 ( 3.337 1.926 0.861) 3.948 10.791 ( -34.261 -19.781 -2.555) 39.643 14.239 ( 5.789 3.342 6.235) 9.141======================= Grid point 1406 (381/417) =======================q-point: ( 0.38 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 0.000 13.632 12.678) 18.616 1.404 ( 0.000 24.701 15.197) 29.001 1.870 ( -0.000 3.199 -7.569) 8.218 1.984 ( -0.000 15.048 -7.773) 16.936 2.418 ( 0.000 5.703 31.854) 32.360 4.093 ( -0.000 -14.190 -14.995) 20.644 6.715 ( 0.000 5.375 2.409) 5.890 7.519 ( -0.000 64.077 -8.683) 64.663 10.003 ( -0.000 -24.304 -4.046) 24.638 10.245 ( -0.000 -4.303 -1.200) 4.467 13.512 ( 0.000 -6.928 4.528) 8.276 13.764 ( -0.000 2.786 -5.198) 5.898======================= Grid point 1407 (382/417) =======================q-point: ( 0.44 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 5.028 16.088 11.813) 20.583 1.770 ( 7.080 11.349 14.081) 19.422 1.922 ( 3.757 6.346 -7.739) 10.690 2.283 ( 14.192 22.232 -5.511) 26.945 2.658 ( 8.439 13.092 20.748) 25.944 3.893 ( -3.427 -5.281 -12.908) 14.361 6.831 ( 4.454 8.343 2.021) 9.671 8.380 ( 26.798 40.926 -4.848) 49.159 9.527 ( -19.410 -20.912 -9.526) 30.080 10.176 ( -2.094 -5.175 -1.473) 5.774 13.404 ( -3.711 -12.552 9.190) 15.993 13.784 ( 0.581 3.122 -10.951) 11.402======================= Grid point 1408 (383/417) =======================q-point: ( 0.50 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( 5.146 10.603 8.325) 14.429 1.964 ( 3.604 5.071 11.355) 12.948 2.109 ( 8.903 13.983 -5.071) 17.335 2.717 ( 12.811 11.479 5.926) 18.194 3.113 ( 16.912 17.844 -2.593) 24.721 3.869 ( 6.506 7.825 -6.020) 11.823 7.046 ( 7.514 11.785 1.791) 14.091 8.661 ( -16.295 -17.960 9.971) 26.220 9.344 ( 14.105 16.843 -19.725) 29.525 10.065 ( -4.151 -4.109 -2.025) 6.182 13.159 ( -10.782 -18.886 9.240) 23.628 13.781 ( 0.225 4.285 -11.204) 11.997======================= Grid point 1409 (384/417) =======================q-point: ( 0.56 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 2.833 6.918 2.808) 7.985 2.115 ( 4.576 5.125 9.220) 11.498 2.457 ( 11.509 18.018 -0.928) 21.400 2.973 ( 5.603 3.053 2.074) 6.710 3.432 ( 9.594 8.658 -8.799) 15.634 4.312 ( 23.478 20.951 1.612) 31.508 7.329 ( 8.265 14.757 1.696) 16.999 8.188 ( -16.356 -13.077 5.574) 21.670 9.625 ( 8.470 3.171 -10.613) 13.944 9.949 ( -4.179 -2.548 -2.500) 5.496 12.678 ( -21.778 -23.006 2.144) 31.752 13.840 ( 4.263 4.033 -2.942) 6.564======================= Grid point 1410 (385/417) =======================q-point: ( 0.62 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 1.766 6.587 0.706) 6.856 2.291 ( 6.178 5.684 5.679) 10.136 2.823 ( 9.417 16.628 0.446) 19.115 3.008 ( -0.496 -0.331 -5.349) 5.382 3.659 ( 8.796 6.793 -1.468) 11.210 4.948 ( 23.346 18.215 1.734) 29.662 7.620 ( 5.852 16.081 1.433) 17.173 7.917 ( -6.414 -4.358 5.768) 9.664 9.670 ( 1.154 -2.640 -8.233) 8.723 9.866 ( -1.104 -1.818 -1.489) 2.596 11.976 ( -30.110 -23.663 -3.084) 38.419 13.977 ( 7.509 1.437 3.447) 8.386======================= Grid point 1411 (386/417) =======================q-point: ( 0.69 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 0.650 6.434 -0.123) 6.468 2.466 ( 5.880 5.220 -0.243) 7.866 2.928 ( -1.897 -2.082 -4.395) 5.219 3.146 ( 5.446 16.484 -0.331) 17.364 3.839 ( 5.411 3.478 1.540) 6.614 5.466 ( 17.175 12.304 1.557) 21.184 7.848 ( 2.204 14.235 0.877) 14.431 7.902 ( 2.102 3.817 4.901) 6.558 9.604 ( -0.673 -3.777 -6.343) 7.413 9.881 ( 3.336 0.161 -0.035) 3.340 11.173 ( -32.952 -21.004 -4.336) 39.317 14.136 ( 8.625 -1.436 5.898) 10.546======================= Grid point 1424 (387/417) =======================q-point: ( 0.44 0.44 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 0.000 14.370 9.930) 17.467 1.885 ( 0.000 12.235 11.605) 16.863 1.926 ( -0.000 8.616 -9.124) 12.550 2.406 ( -0.000 25.982 -1.167) 26.008 2.800 ( 0.000 18.104 14.751) 23.353 3.836 ( -0.000 -1.702 -11.728) 11.851 6.887 ( 0.000 10.352 1.322) 10.436 8.567 ( 0.000 32.866 3.425) 33.044 9.450 ( -0.000 -16.755 -18.414) 24.896 10.123 ( -0.000 -6.879 -0.444) 6.893 13.310 ( 0.000 -18.306 11.357) 21.543 13.790 ( -0.000 5.571 -11.356) 12.649======================= Grid point 1425 (388/417) =======================q-point: ( 0.50 0.44 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.828 ( 3.276 8.232 6.305) 10.874 2.019 ( 1.099 8.493 6.893) 10.994 2.100 ( 7.694 15.981 -4.715) 18.353 2.702 ( 6.171 15.719 6.418) 18.066 3.098 ( 6.883 20.533 -1.078) 21.683 3.861 ( 3.241 11.736 -5.881) 13.521 7.061 ( 5.814 13.110 0.896) 14.370 8.694 ( -5.749 -17.378 9.436) 20.594 9.334 ( 1.603 17.448 -20.436) 26.919 10.048 ( -0.644 -6.289 -1.057) 6.409 13.100 ( -4.302 -24.113 11.761) 27.172 13.810 ( -0.821 7.021 -11.712) 13.680======================= Grid point 1426 (389/417) =======================q-point: ( 0.56 0.44 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( 3.518 6.598 2.126) 7.774 2.138 ( 2.134 6.399 5.742) 8.859 2.461 ( 11.425 20.767 -1.223) 23.734 2.925 ( 4.594 4.506 4.092) 7.626 3.365 ( 6.840 12.483 -7.241) 15.970 4.214 ( 14.630 25.870 0.388) 29.723 7.351 ( 9.126 16.922 0.977) 19.251 8.310 ( -12.903 -17.543 2.170) 21.884 9.519 ( 5.079 7.439 -7.593) 11.781 9.964 ( -2.227 -4.684 -2.126) 5.605 12.726 ( -12.010 -28.182 6.735) 31.366 13.837 ( 0.037 6.179 -6.851) 9.225======================= Grid point 1427 (390/417) =======================q-point: ( 0.62 0.44 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( 2.415 7.949 0.596) 8.329 2.273 ( 4.371 5.999 4.079) 8.469 2.862 ( 8.975 19.935 1.262) 21.899 2.984 ( 1.509 0.332 -3.492) 3.818 3.592 ( 7.556 9.964 -1.701) 12.620 4.784 ( 19.049 23.578 0.879) 30.325 7.699 ( 7.848 19.421 1.312) 20.988 8.005 ( -7.467 -6.707 2.892) 10.446 9.589 ( 2.223 -1.242 -4.709) 5.353 9.866 ( -2.526 -4.046 -1.793) 5.096 12.159 ( -20.840 -28.211 0.109) 35.074 13.896 ( 3.225 1.887 -0.159) 3.740======================= Grid point 1428 (391/417) =======================q-point: ( 0.69 0.44 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.215 ( 0.597 9.013 -0.031) 9.033 2.426 ( 5.108 5.372 0.859) 7.463 2.926 ( -1.554 -1.978 -2.351) 3.443 3.242 ( 6.628 20.949 -0.440) 21.977 3.794 ( 5.557 6.551 0.795) 8.627 5.309 ( 16.878 16.012 0.765) 23.277 7.873 ( 0.817 0.930 3.890) 4.082 8.063 ( 2.018 21.604 2.232) 21.812 9.551 ( -0.779 -5.075 -4.428) 6.780 9.827 ( 2.033 -0.743 -0.589) 2.244 11.459 ( -26.716 -24.488 -3.869) 36.447 13.982 ( 6.637 -3.351 3.934) 8.412======================= Grid point 1442 (392/417) =======================q-point: ( 0.50 0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( 0.000 5.148 2.564) 5.752 2.118 ( 0.000 7.063 4.437) 8.341 2.179 ( -0.000 19.271 -3.724) 19.628 2.824 ( 0.000 11.559 8.068) 14.096 3.232 ( -0.000 17.566 -5.984) 18.557 3.989 ( -0.000 23.670 -2.103) 23.763 7.137 ( -0.000 13.485 -0.205) 13.487 8.566 ( 0.000 -22.450 2.108) 22.548 9.450 ( -0.000 16.927 -13.449) 21.620 9.980 ( 0.000 -6.719 0.567) 6.743 12.910 ( 0.000 -28.892 12.720) 31.568 13.865 ( -0.000 9.033 -11.339) 14.497======================= Grid point 1443 (393/417) =======================q-point: ( 0.56 0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 3.697 4.836 0.674) 6.125 2.197 ( 0.514 6.665 1.719) 6.902 2.463 ( 9.876 19.643 -1.558) 22.041 2.937 ( 0.981 3.403 4.933) 6.073 3.398 ( 2.888 14.449 -5.216) 15.631 4.327 ( 6.080 31.345 0.026) 31.929 7.352 ( 8.331 15.002 -0.592) 17.170 8.288 ( -5.873 -18.367 -3.598) 19.616 9.548 ( -0.484 7.680 -3.815) 8.589 9.924 ( -0.001 -5.292 0.042) 5.292 12.591 ( -5.124 -32.801 10.226) 34.739 13.908 ( -1.807 8.714 -9.089) 12.720======================= Grid point 1444 (394/417) =======================q-point: ( 0.62 0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.102 ( 5.590 5.918 0.375) 8.150 2.290 ( 2.045 6.737 0.624) 7.068 2.873 ( 13.503 19.721 -0.742) 23.912 2.959 ( -0.322 -1.179 1.264) 1.758 3.591 ( 4.667 12.040 -1.501) 13.000 4.788 ( 10.683 28.393 0.091) 30.336 7.707 ( 12.468 16.891 -0.422) 20.999 8.034 ( -4.487 -8.593 -3.026) 10.155 9.567 ( -1.051 0.547 -0.201) 1.202 9.858 ( -1.906 -4.282 -0.208) 4.692 12.134 ( -11.314 -33.519 5.111) 35.744 13.918 ( -2.391 5.117 -4.637) 7.307======================= Grid point 1445 (395/417) =======================q-point: ( 0.69 0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1032Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( 4.580 7.933 -0.000) 9.160 2.405 ( 3.357 5.815 -0.000) 6.714 2.926 ( -1.261 -2.184 -0.000) 2.522 3.294 ( 11.170 19.347 -0.000) 22.340 3.782 ( 5.171 8.957 -0.000) 10.343 5.237 ( 11.646 20.172 -0.000) 23.292 7.880 ( -0.151 -0.262 -0.000) 0.302 8.172 ( 11.232 19.454 -0.000) 22.464 9.521 ( -2.381 -4.124 -0.000) 4.762 9.802 ( -0.291 -0.503 -0.000) 0.581 11.566 ( -17.197 -29.786 -0.000) 34.394 13.906 ( -0.391 -0.678 -0.000) 0.783======================= Grid point 1460 (396/417) =======================q-point: ( 0.56 0.56 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( -0.000 4.342 -0.238) 4.349 2.258 ( -0.000 6.293 -1.150) 6.398 2.556 ( -0.000 18.510 -1.078) 18.542 2.963 ( 0.000 0.017 3.957) 3.957 3.511 ( -0.000 14.459 -2.483) 14.670 4.607 ( -0.000 32.927 -0.382) 32.929 7.408 ( -0.000 13.247 -1.431) 13.324 8.146 ( -0.000 -14.649 -7.889) 16.639 9.612 ( 0.000 3.087 0.897) 3.215 9.880 ( 0.000 -3.334 1.321) 3.587 12.316 ( 0.000 -36.649 10.131) 38.024 13.994 ( -0.000 9.660 -8.935) 13.159======================= Grid point 1461 (397/417) =======================q-point: ( 0.62 0.56 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 4.658 4.485 -0.147) 6.467 2.328 ( 1.286 6.746 -1.757) 7.089 2.830 ( 10.212 16.758 -0.979) 19.649 2.962 ( -0.115 -1.495 3.631) 3.928 3.657 ( 1.590 11.988 -0.885) 12.125 4.960 ( 3.883 29.442 -0.773) 29.707 7.634 ( 11.075 12.999 -1.464) 17.139 7.983 ( -1.715 -7.577 -7.712) 10.947 9.610 ( -2.191 -0.638 3.917) 4.533 9.854 ( -1.056 -1.448 1.083) 2.094 11.924 ( -4.315 -38.126 7.405) 39.078 14.028 ( -3.663 7.986 -7.008) 11.239======================= Grid point 1479 (398/417) =======================q-point: (-0.38 -0.38 -0.69)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.055 ( -0.000 3.976 -0.163) 3.980 2.379 ( -0.000 7.084 -1.764) 7.300 2.895 ( -0.000 15.127 -0.372) 15.132 2.953 ( 0.000 -2.753 4.510) 5.284 3.756 ( -0.000 9.923 -0.751) 9.951 5.210 ( -0.000 26.308 -1.487) 26.350 7.637 ( -0.000 10.092 -1.132) 10.155 7.916 ( -0.000 -2.468 -7.975) 8.348 9.633 ( 0.000 -2.172 6.206) 6.575 9.870 ( 0.000 1.450 0.881) 1.697 11.581 ( 0.000 -40.553 6.421) 41.058 14.127 ( -0.000 8.464 -7.139) 11.073======================= Grid point 1672 (399/417) =======================q-point: ( 0.38 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 417Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 0.000 -0.000 13.846) 13.846 1.144 ( 0.000 -0.000 13.846) 13.846 1.817 ( -0.000 0.000 -6.905) 6.905 1.817 ( -0.000 0.000 -6.905) 6.905 2.479 ( 0.000 -0.000 32.923) 32.923 4.264 ( -0.000 0.000 -20.612) 20.612 6.668 ( 0.000 -0.000 2.275) 2.275 6.668 ( 0.000 -0.000 2.275) 2.275 10.288 ( -0.000 0.000 -1.261) 1.261 10.288 ( -0.000 0.000 -1.261) 1.261 13.565 ( 0.000 -0.000 1.299) 1.299 13.740 ( -0.000 0.000 -0.815) 0.815======================= Grid point 1673 (400/417) =======================q-point: ( 0.44 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( 9.472 5.468 13.125) 17.085 1.542 ( 21.876 12.630 13.075) 28.444 1.826 ( 2.658 1.535 -6.878) 7.532 1.929 ( 12.880 7.436 -9.322) 17.553 2.612 ( 3.554 2.052 27.088) 27.397 3.994 ( -11.200 -6.467 -15.369) 20.086 6.727 ( 4.406 2.544 1.893) 5.429 7.480 ( 54.822 31.652 -5.949) 63.582 9.947 ( -26.176 -15.113 -1.140) 30.247 10.247 ( -3.230 -1.865 -1.307) 3.952 13.549 ( -2.476 -1.430 3.780) 4.739 13.738 ( -0.000 -0.000 -4.821) 4.821======================= Grid point 1674 (401/417) =======================q-point: ( 0.50 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 12.419 7.170 12.038) 18.723 1.908 ( 7.170 4.139 -7.653) 11.274 1.913 ( 7.162 4.135 10.796) 13.599 2.430 ( 26.456 15.275 -3.726) 30.775 2.860 ( 13.136 7.584 12.611) 19.726 3.791 ( -1.361 -0.786 -10.325) 10.444 6.883 ( 8.372 4.834 1.573) 9.795 8.657 ( 39.068 22.556 -0.690) 45.117 9.242 ( -27.417 -15.829 -6.651) 32.350 10.138 ( -5.457 -3.151 -1.382) 6.451 13.439 ( -10.486 -6.054 8.300) 14.680 13.700 ( 0.445 0.257 -10.855) 10.867======================= Grid point 1675 (402/417) =======================q-point: ( 0.56 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 5.665 3.271 5.314) 8.428 2.069 ( 4.746 2.740 9.080) 10.606 2.169 ( 15.929 9.197 -2.571) 18.572 2.885 ( 11.486 6.631 3.667) 13.760 3.230 ( 14.092 8.136 -7.350) 17.856 3.976 ( 20.536 11.857 -0.537) 23.720 7.120 ( 11.141 6.432 1.493) 12.951 8.501 ( -24.947 -14.403 7.574) 29.786 9.434 ( 19.523 11.272 -10.930) 25.053 10.001 ( -5.492 -3.171 -1.462) 6.509 13.053 ( -23.239 -13.417 -0.130) 26.835 13.754 ( 5.751 3.320 -1.832) 6.889======================= Grid point 1676 (403/417) =======================q-point: ( 0.62 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 4.112 2.374 1.344) 4.935 2.219 ( 5.966 3.444 6.649) 9.574 2.550 ( 16.035 9.258 0.134) 18.517 3.003 ( 0.266 0.153 -3.675) 3.688 3.510 ( 12.185 7.035 -2.448) 14.282 4.597 ( 28.379 16.385 1.520) 32.805 7.393 ( 11.387 6.574 1.491) 13.233 8.070 ( -13.538 -7.816 7.541) 17.356 9.654 ( 3.501 2.021 -7.675) 8.675 9.893 ( -2.903 -1.676 -1.386) 3.627 12.392 ( -31.723 -18.315 -5.446) 37.033 13.926 ( 7.892 4.556 4.846) 10.321======================= Grid point 1690 (404/417) =======================q-point: ( 0.44 0.44 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( 0.000 12.830 9.155) 15.762 1.543 ( 0.000 25.593 13.636) 29.000 1.799 ( -0.000 2.575 -6.944) 7.406 1.905 ( -0.000 14.037 -8.559) 16.441 2.692 ( 0.000 2.857 24.050) 24.219 3.946 ( -0.000 -12.127 -14.499) 18.902 6.734 ( 0.000 5.234 1.513) 5.448 7.459 ( -0.000 61.376 -4.119) 61.514 9.970 ( -0.000 -27.264 -2.805) 27.408 10.236 ( -0.000 -4.163 -0.619) 4.209 13.553 ( 0.000 -3.400 3.922) 5.190 13.720 ( -0.000 -1.069 -3.982) 4.123======================= Grid point 1691 (405/417) =======================q-point: ( 0.50 0.44 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( 5.935 15.430 10.088) 19.367 1.842 ( 3.694 4.974 -7.206) 9.503 1.889 ( 6.116 9.819 8.860) 14.571 2.225 ( 16.452 27.352 -5.776) 32.437 2.836 ( 4.495 7.127 14.854) 17.077 3.777 ( -2.402 -3.769 -10.283) 11.212 6.846 ( 4.536 8.198 1.099) 9.433 8.346 ( 28.573 46.790 -2.314) 54.873 9.459 ( -20.133 -28.338 -4.718) 35.080 10.165 ( -2.467 -5.144 -0.778) 5.758 13.491 ( -3.138 -10.378 8.890) 14.021 13.684 ( -0.951 1.253 -9.700) 9.826======================= Grid point 1692 (406/417) =======================q-point: ( 0.56 0.44 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 3.163 6.990 5.758) 9.592 2.035 ( 7.533 8.795 1.773) 11.715 2.076 ( 7.854 12.213 0.151) 14.521 2.755 ( 14.618 14.504 1.728) 20.665 3.095 ( 10.240 11.273 -1.107) 15.269 3.826 ( 9.825 10.959 -2.695) 14.963 7.060 ( 7.678 11.733 1.005) 14.058 8.751 ( -20.490 -23.091 7.505) 31.771 9.193 ( 19.788 21.825 -10.216) 31.181 10.050 ( -4.382 -4.409 -1.113) 6.315 13.217 ( -13.883 -18.544 2.146) 23.264 13.707 ( 3.005 4.650 -3.546) 6.575======================= Grid point 1693 (407/417) =======================q-point: ( 0.62 0.44 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( 2.227 5.941 1.167) 6.451 2.183 ( 4.807 4.163 4.536) 7.811 2.454 ( 12.015 18.530 0.318) 22.086 2.973 ( 2.724 1.529 -2.168) 3.802 3.379 ( 11.201 10.097 -1.686) 15.174 4.324 ( 24.052 21.128 0.749) 32.023 7.343 ( 8.394 14.776 1.241) 17.039 8.243 ( -15.402 -14.173 5.529) 21.649 9.551 ( 8.334 4.252 -4.291) 10.293 9.931 ( -4.175 -2.941 -1.303) 5.271 12.665 ( -24.334 -22.130 -4.800) 33.241 13.844 ( 7.060 3.713 3.801) 8.836======================= Grid point 1708 (408/417) =======================q-point: ( 0.50 0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 0.000 15.136 8.282) 17.254 1.835 ( -0.000 7.221 -9.418) 11.868 1.970 ( 0.000 9.553 5.486) 11.016 2.391 ( -0.000 32.485 -1.034) 32.501 2.921 ( 0.000 9.829 8.846) 13.224 3.741 ( -0.000 0.573 -7.036) 7.060 6.896 ( 0.000 10.014 0.360) 10.021 8.604 ( 0.000 44.440 4.141) 44.632 9.302 ( -0.000 -29.459 -11.982) 31.802 10.122 ( 0.000 -6.650 0.234) 6.654 13.415 ( 0.000 -16.585 10.168) 19.454 13.690 ( -0.000 4.237 -9.220) 10.147======================= Grid point 1709 (409/417) =======================q-point: ( 0.56 0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 2.708 4.622 1.366) 5.529 2.036 ( 6.656 16.663 -1.123) 17.979 2.086 ( 3.964 9.735 0.290) 10.515 2.748 ( 6.378 19.694 2.970) 20.913 3.091 ( 4.334 13.096 -0.320) 13.798 3.822 ( 4.540 14.890 -1.940) 15.687 7.065 ( 6.099 12.766 -0.060) 14.148 8.769 ( -8.997 -27.416 4.473) 29.199 9.184 ( 6.748 27.054 -8.894) 29.267 10.044 ( -1.319 -6.236 0.132) 6.375 13.193 ( -6.245 -23.299 6.854) 25.076 13.721 ( 0.410 6.709 -6.123) 9.092======================= Grid point 1710 (410/417) =======================q-point: ( 0.62 0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1034Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 3.473 6.016 -0.000) 6.947 2.166 ( 3.129 5.420 -0.000) 6.259 2.455 ( 12.108 20.971 -0.000) 24.216 2.947 ( 2.234 3.869 -0.000) 4.467 3.327 ( 7.523 13.030 0.000) 15.046 4.216 ( 15.138 26.219 -0.000) 30.276 7.356 ( 9.611 16.648 -0.000) 19.223 8.321 ( -11.298 -19.569 -0.000) 22.596 9.481 ( 5.164 8.944 -0.000) 10.327 9.954 ( -2.714 -4.701 -0.000) 5.428 12.759 ( -15.435 -26.735 -0.000) 30.871 13.803 ( 3.004 5.204 -0.000) 6.009======================= Grid point 1726 (411/417) =======================q-point: ( 0.56 0.56 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( -0.000 4.352 -1.589) 4.633 2.126 ( -0.000 6.056 -2.629) 6.602 2.158 ( -0.000 20.143 -0.505) 20.150 2.886 ( 0.000 12.281 3.729) 12.834 3.195 ( -0.000 14.936 -0.619) 14.948 3.976 ( -0.000 25.306 -0.674) 25.315 7.131 ( -0.000 13.067 -0.923) 13.100 8.559 ( -0.000 -27.946 -3.728) 28.194 9.381 ( -0.000 22.148 -0.536) 22.155 9.988 ( 0.000 -6.470 1.103) 6.564 13.012 ( 0.000 -28.402 8.026) 29.514 13.777 ( -0.000 8.590 -6.330) 10.670======================= Grid point 1958 (412/417) =======================q-point: ( 0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 408Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( 0.000 -0.000 8.721) 8.721 1.255 ( 0.000 -0.000 8.721) 8.721 1.756 ( -0.000 0.000 -5.222) 5.222 1.756 ( -0.000 0.000 -5.222) 5.222 2.747 ( 0.000 -0.000 21.333) 21.333 4.085 ( -0.000 0.000 -15.170) 15.170 6.686 ( 0.000 -0.000 1.238) 1.238 6.686 ( 0.000 -0.000 1.238) 1.238 10.278 ( -0.000 0.000 -0.689) 0.689 10.278 ( -0.000 0.000 -0.689) 0.689 13.575 ( 0.000 -0.000 0.762) 0.762 13.734 ( -0.000 0.000 -0.500) 0.500======================= Grid point 1959 (413/417) =======================q-point: ( 0.50 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( 9.917 5.726 8.350) 14.172 1.651 ( 25.205 14.552 8.533) 30.329 1.767 ( 2.148 1.240 -4.740) 5.350 1.842 ( 9.404 5.429 -7.921) 13.441 2.817 ( 1.634 0.943 14.054) 14.180 3.867 ( -9.784 -5.649 -9.380) 14.684 6.741 ( 4.397 2.539 0.828) 5.144 7.442 ( 52.687 30.419 -2.196) 60.877 9.942 ( -26.122 -15.081 0.153) 30.163 10.237 ( -3.336 -1.926 -0.749) 3.924 13.579 ( 0.143 0.082 2.215) 2.221 13.700 ( -3.433 -1.982 -2.832) 4.872======================= Grid point 1960 (414/417) =======================q-point: ( 0.56 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 12.824 7.404 10.709) 18.274 1.832 ( 6.421 3.707 -7.786) 10.751 1.982 ( 6.808 3.931 3.203) 8.489 2.397 ( 29.683 17.137 -2.393) 34.358 2.946 ( 7.540 4.353 3.884) 9.533 3.721 ( 0.747 0.431 -3.188) 3.303 6.894 ( 8.464 4.887 0.660) 9.795 8.640 ( 44.338 25.599 -2.944) 51.282 9.227 ( -32.195 -18.588 3.371) 37.328 10.127 ( -5.583 -3.223 -0.878) 6.506 13.484 ( -13.885 -8.016 -1.549) 16.108 13.634 ( 3.524 2.035 -0.221) 4.076======================= Grid point 1976 (415/417) =======================q-point: ( 0.50 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( 0.000 12.503 1.266) 12.567 1.656 ( 0.000 29.954 8.319) 31.088 1.751 ( -0.000 1.923 -2.009) 2.781 1.828 ( -0.000 9.778 -5.956) 11.449 2.852 ( 0.000 1.462 7.526) 7.667 3.844 ( -0.000 -10.973 -5.134) 12.115 6.743 ( 0.000 5.129 0.373) 5.142 7.436 ( -0.000 60.220 -0.832) 60.225 9.950 ( -0.000 -29.178 -1.496) 29.217 10.233 ( 0.000 -4.005 0.068) 4.005 13.582 ( 0.000 0.305 1.706) 1.733 13.692 ( -0.000 -4.641 -1.399) 4.847======================= Grid point 1977 (416/417) =======================q-point: ( 0.56 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 1032Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( 9.325 16.151 -0.000) 18.650 1.792 ( 1.849 3.202 0.000) 3.697 1.939 ( 4.207 7.287 -0.000) 8.415 2.192 ( 17.882 30.973 -0.000) 35.765 2.913 ( 2.924 5.064 -0.000) 5.847 3.722 ( -1.697 -2.939 -0.000) 3.393 6.851 ( 4.669 8.087 -0.000) 9.338 8.335 ( 28.398 49.186 -0.000) 56.795 9.436 ( -18.482 -32.011 -0.000) 36.963 10.161 ( -2.867 -4.965 -0.000) 5.733 13.557 ( -6.546 -11.338 -0.000) 13.092 13.614 ( 1.529 2.649 -0.000) 3.059======================= Grid point 2249 (417/417) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 3.35e-04 Number of triplets: 213Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.300 ( 0.000 -0.000 0.000) 0.000 1.300 ( 0.000 -0.000 0.000) 0.000 1.728 ( -0.000 0.000 -0.000) 0.000 1.728 ( -0.000 0.000 -0.000) 0.000 2.856 ( 0.000 -0.000 0.000) 0.000 4.005 ( -0.000 0.000 -0.000) 0.000 6.692 ( 0.000 -0.000 0.000) 0.000 6.692 ( 0.000 -0.000 0.000) 0.000 10.275 ( 0.000 -0.000 0.000) 0.000 10.275 ( 0.000 -0.000 0.000) 0.000 13.579 ( 0.000 -0.000 0.000) 0.000 13.731 ( 0.000 -0.000 0.000) 0.000=================== 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 3/49152 10.0 567.393 567.393 1203.704 -0.000 0.000 0.000 3/49152 20.0 184.555 184.555 163.777 -0.000 0.000 0.000 3/49152 30.0 86.885 86.885 62.486 -0.000 0.000 0.000 3/49152 40.0 62.919 62.919 38.584 -0.000 0.000 0.000 3/49152 50.0 52.093 52.093 28.585 -0.000 0.000 0.000 3/49152 60.0 44.499 44.499 22.870 -0.000 0.000 0.000 3/49152 70.0 38.324 38.324 19.017 -0.000 0.000 0.000 3/49152 80.0 33.222 33.222 16.204 -0.000 0.000 0.000 3/49152 90.0 29.042 29.042 14.065 -0.000 0.000 0.000 3/49152 100.0 25.636 25.636 12.395 -0.000 0.000 0.000 3/49152 110.0 22.856 22.856 11.066 -0.000 0.000 0.000 3/49152 120.0 20.572 20.572 9.987 -0.000 0.000 0.000 3/49152 130.0 18.678 18.678 9.099 -0.000 0.000 0.000 3/49152 140.0 17.091 17.091 8.356 -0.000 0.000 0.000 3/49152 150.0 15.747 15.747 7.726 -0.000 0.000 0.000 3/49152 160.0 14.597 14.597 7.187 -0.000 0.000 0.000 3/49152 170.0 13.604 13.604 6.720 -0.000 0.000 0.000 3/49152 180.0 12.739 12.739 6.311 -0.000 0.000 0.000 3/49152 190.0 11.979 11.979 5.951 -0.000 0.000 0.000 3/49152 200.0 11.306 11.306 5.630 -0.000 0.000 0.000 3/49152 210.0 10.706 10.706 5.344 -0.000 0.000 0.000 3/49152 220.0 10.169 10.169 5.086 -0.000 0.000 0.000 3/49152 230.0 9.684 9.684 4.852 -0.000 0.000 0.000 3/49152 240.0 9.244 9.244 4.640 -0.000 0.000 0.000 3/49152 250.0 8.844 8.844 4.446 -0.000 0.000 0.000 3/49152 260.0 8.478 8.478 4.268 -0.000 0.000 0.000 3/49152 270.0 8.142 8.142 4.104 -0.000 0.000 0.000 3/49152 280.0 7.832 7.832 3.953 -0.000 0.000 0.000 3/49152 290.0 7.546 7.546 3.812 -0.000 0.000 0.000 3/49152 300.0 7.280 7.280 3.681 -0.000 0.000 0.000 3/49152 310.0 7.033 7.033 3.560 -0.000 0.000 0.000 3/49152 320.0 6.803 6.803 3.446 -0.000 0.000 0.000 3/49152 330.0 6.587 6.587 3.339 -0.000 0.000 0.000 3/49152 340.0 6.385 6.385 3.239 -0.000 0.000 0.000 3/49152 350.0 6.196 6.196 3.145 -0.000 0.000 0.000 3/49152 360.0 6.017 6.017 3.056 -0.000 0.000 0.000 3/49152 370.0 5.849 5.849 2.972 -0.000 0.000 0.000 3/49152 380.0 5.690 5.690 2.893 -0.000 0.000 0.000 3/49152 390.0 5.540 5.540 2.818 -0.000 0.000 0.000 3/49152 400.0 5.397 5.397 2.747 -0.000 0.000 0.000 3/49152 410.0 5.262 5.262 2.679 -0.000 0.000 0.000 3/49152 420.0 5.134 5.134 2.615 -0.000 0.000 0.000 3/49152 430.0 5.012 5.012 2.553 -0.000 0.000 0.000 3/49152 440.0 4.895 4.895 2.495 -0.000 0.000 0.000 3/49152 450.0 4.784 4.784 2.439 -0.000 0.000 0.000 3/49152 460.0 4.678 4.678 2.386 -0.000 0.000 0.000 3/49152 470.0 4.577 4.577 2.335 -0.000 0.000 0.000 3/49152 480.0 4.480 4.480 2.286 -0.000 0.000 0.000 3/49152 490.0 4.387 4.387 2.239 -0.000 0.000 0.000 3/49152 500.0 4.298 4.298 2.194 -0.000 0.000 0.000 3/49152 510.0 4.213 4.213 2.151 -0.000 0.000 0.000 3/49152 520.0 4.130 4.130 2.109 -0.000 0.000 0.000 3/49152 530.0 4.052 4.052 2.069 -0.000 0.000 0.000 3/49152 540.0 3.976 3.976 2.031 -0.000 0.000 0.000 3/49152 550.0 3.903 3.903 1.994 -0.000 0.000 0.000 3/49152 560.0 3.832 3.832 1.958 -0.000 0.000 0.000 3/49152 570.0 3.764 3.764 1.924 -0.000 0.000 0.000 3/49152 580.0 3.699 3.699 1.891 -0.000 0.000 0.000 3/49152 590.0 3.636 3.636 1.858 -0.000 0.000 0.000 3/49152 600.0 3.574 3.574 1.827 -0.000 0.000 0.000 3/49152 610.0 3.515 3.515 1.798 -0.000 0.000 0.000 3/49152 620.0 3.458 3.458 1.768 -0.000 0.000 0.000 3/49152 630.0 3.403 3.403 1.740 -0.000 0.000 0.000 3/49152 640.0 3.350 3.350 1.713 -0.000 0.000 0.000 3/49152 650.0 3.298 3.298 1.687 -0.000 0.000 0.000 3/49152 660.0 3.247 3.247 1.661 -0.000 0.000 0.000 3/49152 670.0 3.199 3.199 1.637 -0.000 0.000 0.000 3/49152 680.0 3.151 3.151 1.612 -0.000 0.000 0.000 3/49152 690.0 3.106 3.106 1.589 -0.000 0.000 0.000 3/49152 700.0 3.061 3.061 1.566 -0.000 0.000 0.000 3/49152 710.0 3.018 3.018 1.544 -0.000 0.000 0.000 3/49152 720.0 2.976 2.976 1.523 -0.000 0.000 0.000 3/49152 730.0 2.935 2.935 1.502 -0.000 0.000 0.000 3/49152 740.0 2.895 2.895 1.482 -0.000 0.000 0.000 3/49152 750.0 2.856 2.856 1.462 -0.000 0.000 0.000 3/49152 760.0 2.819 2.819 1.443 -0.000 0.000 0.000 3/49152 770.0 2.782 2.782 1.424 -0.000 0.000 0.000 3/49152 780.0 2.746 2.746 1.406 -0.000 0.000 0.000 3/49152 790.0 2.711 2.711 1.388 -0.000 0.000 0.000 3/49152 800.0 2.677 2.677 1.371 -0.000 0.000 0.000 3/49152 810.0 2.644 2.644 1.354 -0.000 0.000 0.000 3/49152 820.0 2.612 2.612 1.337 -0.000 0.000 0.000 3/49152 830.0 2.580 2.580 1.321 -0.000 0.000 0.000 3/49152 840.0 2.550 2.550 1.306 -0.000 0.000 0.000 3/49152 850.0 2.520 2.520 1.290 -0.000 0.000 0.000 3/49152 860.0 2.490 2.490 1.275 -0.000 0.000 0.000 3/49152 870.0 2.462 2.462 1.261 -0.000 0.000 0.000 3/49152 880.0 2.434 2.434 1.246 -0.000 0.000 0.000 3/49152 890.0 2.406 2.406 1.232 -0.000 0.000 0.000 3/49152 900.0 2.380 2.380 1.219 -0.000 0.000 0.000 3/49152 910.0 2.353 2.353 1.205 -0.000 0.000 0.000 3/49152 920.0 2.328 2.328 1.192 -0.000 0.000 0.000 3/49152 930.0 2.303 2.303 1.180 -0.000 0.000 0.000 3/49152 940.0 2.278 2.278 1.167 -0.000 0.000 0.000 3/49152 950.0 2.254 2.254 1.155 -0.000 0.000 0.000 3/49152 960.0 2.231 2.231 1.143 -0.000 0.000 0.000 3/49152 970.0 2.208 2.208 1.131 -0.000 0.000 0.000 3/49152 980.0 2.185 2.185 1.120 -0.000 0.000 0.000 3/49152 990.0 2.163 2.163 1.108 -0.000 0.000 0.000 3/49152 1000.0 2.142 2.142 1.097 -0.000 0.000 0.000 3/49152Thermal conductivity related properties were written into "kappa-m161616.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:39:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|