# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/3be8fc1c-f47d-4ceb-b247-ebd11204f347/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 RbHoSe2 / R-3m (166) / materials id 10783](https://mdr.nims.go.jp/datasets/18936804-acc5-40cc-b251-eb2719102f63) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:45:49]-------------------------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 2.078136769844749 1.199812823482723 7.881092053333325 b -2.078136769844745 1.199812823482723 7.881092053333325 c 0.000000000000002 -2.399625646965450 7.881092053333325Atomic positions (fractional): *1 Se 0.23177790071169 0.23177790071169 0.23177790071168 78.960 2 Se 0.76822209928831 0.76822209928831 0.76822209928832 78.960 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.156273539689495 0.000000000000000 0.000000000000000 b -2.078136769844748 3.599438470448173 0.000000000000000 c 0.000000000000000 0.000000000000000 23.643276159999999Atomic positions (fractional): *1 Se 0.00000000000000 0.00000000000000 0.23177790071168 78.960 > 1 2 Se 0.66666666666667 0.33333333333333 0.10155543262165 78.960 > 2 3 Se 0.66666666666667 0.33333333333333 0.56511123404502 78.960 > 1 4 Se 0.33333333333333 0.66666666666667 0.43488876595498 78.960 > 2 5 Se 0.33333333333333 0.66666666666667 0.89844456737835 78.960 > 1 6 Se 0.00000000000000 0.00000000000000 0.76822209928831 78.960 > 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 Ho 0.33333333333333 0.66666666666667 0.16666666666667 164.930 > 4 11 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 4 12 Ho 0.66666666666667 0.33333333333333 0.83333333333333 164.930 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.468820619068486 0.000000000000000 0.000000000000000 b -6.234410309534244 10.798315411344518 0.000000000000000 c 0.000000000000000 0.000000000000000 23.643276159999999Atomic positions (fractional): *1 Se 0.00000000000000 0.00000000000000 0.23177790071168 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23177790071168 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23177790071168 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23177790071168 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23177790071168 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23177790071168 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23177790071168 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23177790071168 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23177790071168 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.10155543262165 78.960 > 2 11 Se 0.55555555555556 0.11111111111111 0.10155543262165 78.960 > 2 12 Se 0.88888888888889 0.11111111111111 0.10155543262165 78.960 > 2 13 Se 0.22222222222222 0.44444444444444 0.10155543262165 78.960 > 2 14 Se 0.55555555555556 0.44444444444444 0.10155543262165 78.960 > 2 15 Se 0.88888888888889 0.44444444444444 0.10155543262165 78.960 > 2 16 Se 0.22222222222222 0.77777777777778 0.10155543262165 78.960 > 2 17 Se 0.55555555555556 0.77777777777778 0.10155543262165 78.960 > 2 18 Se 0.88888888888889 0.77777777777778 0.10155543262165 78.960 > 2 19 Se 0.22222222222222 0.11111111111111 0.56511123404502 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56511123404502 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56511123404502 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56511123404502 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56511123404502 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56511123404502 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56511123404502 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56511123404502 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56511123404502 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43488876595498 78.960 > 2 29 Se 0.44444444444444 0.22222222222222 0.43488876595498 78.960 > 2 30 Se 0.77777777777778 0.22222222222222 0.43488876595498 78.960 > 2 31 Se 0.11111111111111 0.55555555555556 0.43488876595498 78.960 > 2 32 Se 0.44444444444444 0.55555555555556 0.43488876595498 78.960 > 2 33 Se 0.77777777777778 0.55555555555556 0.43488876595498 78.960 > 2 34 Se 0.11111111111111 0.88888888888889 0.43488876595498 78.960 > 2 35 Se 0.44444444444444 0.88888888888889 0.43488876595498 78.960 > 2 36 Se 0.77777777777778 0.88888888888889 0.43488876595498 78.960 > 2 37 Se 0.11111111111111 0.22222222222222 0.89844456737835 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.89844456737835 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.89844456737835 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.89844456737835 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.89844456737835 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.89844456737835 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.89844456737835 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.89844456737835 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.89844456737835 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76822209928831 78.960 > 2 47 Se 0.33333333333333 0.00000000000000 0.76822209928831 78.960 > 2 48 Se 0.66666666666667 0.00000000000000 0.76822209928831 78.960 > 2 49 Se 0.00000000000000 0.33333333333333 0.76822209928831 78.960 > 2 50 Se 0.33333333333333 0.33333333333333 0.76822209928831 78.960 > 2 51 Se 0.66666666666667 0.33333333333333 0.76822209928831 78.960 > 2 52 Se 0.00000000000000 0.66666666666667 0.76822209928831 78.960 > 2 53 Se 0.33333333333333 0.66666666666667 0.76822209928831 78.960 > 2 54 Se 0.66666666666667 0.66666666666667 0.76822209928831 78.960 > 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 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 4 83 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 4 84 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 4 85 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 4 86 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 4 87 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 4 88 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 4 89 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 4 90 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 4 91 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 4 92 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 4 93 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 4 94 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 4 95 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 4 96 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 4 97 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 4 98 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 4 99 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 4 100 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 4 101 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 4 102 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 4 103 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 4 104 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 4 105 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 4 106 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 4 107 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 4 108 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.5012496 0.0000000 0.0000000 0.0000000 6.5012496 0.0000000 0.0000000 0.0000000 4.7449408-------------------------- Born effective charges -------------------------- 1 Se -2.7931047 -0.0000000 0.0000000 0.0000000 -2.7931047 0.0000000 0.0000000 0.0000000 -1.8432563 2 Se -2.7931047 -0.0000000 0.0000000 0.0000000 -2.7931047 0.0000000 0.0000000 0.0000000 -1.8432563 3 Rb 1.0501959 0.0000000 0.0000000 0.0000000 1.0501959 0.0000000 0.0000000 0.0000000 1.9492420 4 Ho 4.5360135 0.0000000 0.0000000 0.0000000 4.5360135 0.0000000 0.0000000 0.0000000 1.7372706----------------------------------------------------------------------------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: 214Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.135Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.142--------------------------------- 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: 214Finding 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:45:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:45:53]-------------------------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 2.078136769844749 1.199812823482723 7.881092053333325 b -2.078136769844745 1.199812823482723 7.881092053333325 c 0.000000000000002 -2.399625646965450 7.881092053333325Atomic positions (fractional): 1 Se 0.23177790071169 0.23177790071169 0.23177790071168 78.960 2 Se 0.76822209928831 0.76822209928831 0.76822209928832 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930-------------------------------- supercell ---------------------------------Lattice vectors: a 12.468820619068486 0.000000000000000 0.000000000000000 b -6.234410309534244 10.798315411344518 0.000000000000000 c 0.000000000000000 0.000000000000000 23.643276159999999Atomic positions (fractional): 1 Se 0.00000000000000 0.00000000000000 0.23177790071168 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23177790071168 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23177790071168 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23177790071168 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23177790071168 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23177790071168 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23177790071168 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23177790071168 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23177790071168 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.10155543262165 78.960 > 10 11 Se 0.55555555555556 0.11111111111111 0.10155543262165 78.960 > 10 12 Se 0.88888888888889 0.11111111111111 0.10155543262165 78.960 > 10 13 Se 0.22222222222222 0.44444444444444 0.10155543262165 78.960 > 10 14 Se 0.55555555555556 0.44444444444444 0.10155543262165 78.960 > 10 15 Se 0.88888888888889 0.44444444444444 0.10155543262165 78.960 > 10 16 Se 0.22222222222222 0.77777777777778 0.10155543262165 78.960 > 10 17 Se 0.55555555555556 0.77777777777778 0.10155543262165 78.960 > 10 18 Se 0.88888888888889 0.77777777777778 0.10155543262165 78.960 > 10 19 Se 0.22222222222222 0.11111111111111 0.56511123404502 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56511123404502 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56511123404502 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56511123404502 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56511123404502 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56511123404502 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56511123404502 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56511123404502 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56511123404502 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43488876595498 78.960 > 10 29 Se 0.44444444444444 0.22222222222222 0.43488876595498 78.960 > 10 30 Se 0.77777777777778 0.22222222222222 0.43488876595498 78.960 > 10 31 Se 0.11111111111111 0.55555555555556 0.43488876595498 78.960 > 10 32 Se 0.44444444444444 0.55555555555556 0.43488876595498 78.960 > 10 33 Se 0.77777777777778 0.55555555555556 0.43488876595498 78.960 > 10 34 Se 0.11111111111111 0.88888888888889 0.43488876595498 78.960 > 10 35 Se 0.44444444444444 0.88888888888889 0.43488876595498 78.960 > 10 36 Se 0.77777777777778 0.88888888888889 0.43488876595498 78.960 > 10 37 Se 0.11111111111111 0.22222222222222 0.89844456737835 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.89844456737835 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.89844456737835 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.89844456737835 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.89844456737835 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.89844456737835 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.89844456737835 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.89844456737835 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.89844456737835 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76822209928831 78.960 > 10 47 Se 0.33333333333333 0.00000000000000 0.76822209928831 78.960 > 10 48 Se 0.66666666666667 0.00000000000000 0.76822209928831 78.960 > 10 49 Se 0.00000000000000 0.33333333333333 0.76822209928831 78.960 > 10 50 Se 0.33333333333333 0.33333333333333 0.76822209928831 78.960 > 10 51 Se 0.66666666666667 0.33333333333333 0.76822209928831 78.960 > 10 52 Se 0.00000000000000 0.66666666666667 0.76822209928831 78.960 > 10 53 Se 0.33333333333333 0.66666666666667 0.76822209928831 78.960 > 10 54 Se 0.66666666666667 0.66666666666667 0.76822209928831 78.960 > 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 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 82 83 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 82 84 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 82 85 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 82 86 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 82 87 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 82 88 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 82 89 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 82 90 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 82 91 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 82 92 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 82 93 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 82 94 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 82 95 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 82 96 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 82 97 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 82 98 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 82 99 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 82 100 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 82 101 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 82 102 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 82 103 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 82 104 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 82 105 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 82 106 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 82 107 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 82 108 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.5012496 0.0000000 0.0000000 0.0000000 6.5012496 0.0000000 0.0000000 0.0000000 4.7449408-------------------------- Born effective charges -------------------------- 1 Se -2.7931047 -0.0000000 0.0000000 0.0000000 -2.7931047 0.0000000 0.0000000 0.0000000 -1.8432563 2 Se -2.7931047 -0.0000000 0.0000000 0.0000000 -2.7931047 0.0000000 0.0000000 0.0000000 -1.8432563 3 Rb 1.0501959 0.0000000 0.0000000 0.0000000 1.0501959 0.0000000 0.0000000 0.0000000 1.9492420 4 Ho 4.5360135 0.0000000 0.0000000 0.0000000 4.5360135 0.0000000 0.0000000 0.0000000 1.7372706----------------------------------------------------------------------------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 23:45:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:45:58]-------------------------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 2.078136769844749 1.199812823482723 7.881092053333325 b -2.078136769844745 1.199812823482723 7.881092053333325 c 0.000000000000002 -2.399625646965450 7.881092053333325Atomic positions (fractional): 1 Se 0.23177790071169 0.23177790071169 0.23177790071168 78.960 2 Se 0.76822209928831 0.76822209928831 0.76822209928832 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930-------------------------------- supercell ---------------------------------Lattice vectors: a 12.468820619068486 0.000000000000000 0.000000000000000 b -6.234410309534244 10.798315411344518 0.000000000000000 c 0.000000000000000 0.000000000000000 23.643276159999999Atomic positions (fractional): 1 Se 0.00000000000000 0.00000000000000 0.23177790071168 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23177790071168 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23177790071168 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23177790071168 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23177790071168 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23177790071168 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23177790071168 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23177790071168 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23177790071168 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.10155543262165 78.960 > 10 11 Se 0.55555555555556 0.11111111111111 0.10155543262165 78.960 > 10 12 Se 0.88888888888889 0.11111111111111 0.10155543262165 78.960 > 10 13 Se 0.22222222222222 0.44444444444444 0.10155543262165 78.960 > 10 14 Se 0.55555555555556 0.44444444444444 0.10155543262165 78.960 > 10 15 Se 0.88888888888889 0.44444444444444 0.10155543262165 78.960 > 10 16 Se 0.22222222222222 0.77777777777778 0.10155543262165 78.960 > 10 17 Se 0.55555555555556 0.77777777777778 0.10155543262165 78.960 > 10 18 Se 0.88888888888889 0.77777777777778 0.10155543262165 78.960 > 10 19 Se 0.22222222222222 0.11111111111111 0.56511123404502 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56511123404502 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56511123404502 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56511123404502 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56511123404502 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56511123404502 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56511123404502 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56511123404502 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56511123404502 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43488876595498 78.960 > 10 29 Se 0.44444444444444 0.22222222222222 0.43488876595498 78.960 > 10 30 Se 0.77777777777778 0.22222222222222 0.43488876595498 78.960 > 10 31 Se 0.11111111111111 0.55555555555556 0.43488876595498 78.960 > 10 32 Se 0.44444444444444 0.55555555555556 0.43488876595498 78.960 > 10 33 Se 0.77777777777778 0.55555555555556 0.43488876595498 78.960 > 10 34 Se 0.11111111111111 0.88888888888889 0.43488876595498 78.960 > 10 35 Se 0.44444444444444 0.88888888888889 0.43488876595498 78.960 > 10 36 Se 0.77777777777778 0.88888888888889 0.43488876595498 78.960 > 10 37 Se 0.11111111111111 0.22222222222222 0.89844456737835 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.89844456737835 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.89844456737835 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.89844456737835 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.89844456737835 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.89844456737835 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.89844456737835 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.89844456737835 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.89844456737835 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76822209928831 78.960 > 10 47 Se 0.33333333333333 0.00000000000000 0.76822209928831 78.960 > 10 48 Se 0.66666666666667 0.00000000000000 0.76822209928831 78.960 > 10 49 Se 0.00000000000000 0.33333333333333 0.76822209928831 78.960 > 10 50 Se 0.33333333333333 0.33333333333333 0.76822209928831 78.960 > 10 51 Se 0.66666666666667 0.33333333333333 0.76822209928831 78.960 > 10 52 Se 0.00000000000000 0.66666666666667 0.76822209928831 78.960 > 10 53 Se 0.33333333333333 0.66666666666667 0.76822209928831 78.960 > 10 54 Se 0.66666666666667 0.66666666666667 0.76822209928831 78.960 > 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 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 82 83 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 82 84 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 82 85 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 82 86 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 82 87 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 82 88 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 82 89 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 82 90 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 82 91 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 82 92 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 82 93 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 82 94 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 82 95 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 82 96 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 82 97 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 82 98 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 82 99 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 82 100 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 82 101 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 82 102 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 82 103 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 82 104 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 82 105 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 82 106 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 82 107 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 82 108 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 6.5012496 0.0000000 0.0000000 0.0000000 6.5012496 0.0000000 0.0000000 0.0000000 4.7449408-------------------------- Born effective charges -------------------------- 1 Se -2.7931047 -0.0000000 0.0000000 0.0000000 -2.7931047 0.0000000 0.0000000 0.0000000 -1.8432563 2 Se -2.7931047 -0.0000000 0.0000000 0.0000000 -2.7931047 0.0000000 0.0000000 0.0000000 -1.8432563 3 Rb 1.0501959 0.0000000 0.0000000 0.0000000 1.0501959 0.0000000 0.0000000 0.0000000 1.9492420 4 Ho 4.5360135 0.0000000 0.0000000 0.0000000 4.5360135 0.0000000 0.0000000 0.0000000 1.7372706----------------------------------------------------------------------------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 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.85, Number of G-points: 301, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating 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 2.047 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.341 ( 15.721 9.077 -5.122) 18.862 0.379 ( 17.192 9.926 -5.032) 20.480 0.749 ( 30.596 17.665 12.408) 37.445 2.051 ( 0.174 0.100 1.108) 1.126 2.081 ( 3.102 1.791 -2.645) 4.453 3.202 ( -3.162 -1.826 0.228) 3.658 3.659 ( 0.604 0.349 0.331) 0.773 3.856 ( -0.555 -0.320 -0.256) 0.690 3.921 ( 4.611 2.662 0.783) 5.382 4.873 ( -2.169 -1.252 -2.171) 3.314 5.076 ( -3.497 -2.019 -5.720) 7.002 5.690 ( -2.601 -1.502 -1.339) 3.289======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( 16.187 9.345 -5.251) 19.414 0.755 ( 17.064 9.852 -6.544) 20.762 1.465 ( 28.648 16.540 10.135) 34.598 2.061 ( 0.234 0.135 2.237) 2.253 2.158 ( 4.247 2.452 -5.044) 7.035 3.114 ( -4.337 -2.504 1.106) 5.129 3.682 ( 1.343 0.775 0.495) 1.627 3.839 ( -0.689 -0.398 -0.451) 0.914 4.054 ( 6.047 3.491 1.299) 7.102 4.802 ( -3.142 -1.814 -2.978) 4.694 4.927 ( -9.303 -5.371 4.853) 11.788 5.601 ( -3.975 -2.295 -7.055) 8.417======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( 16.040 9.260 -5.603) 19.350 1.114 ( 16.066 9.276 -8.500) 20.406 2.074 ( 0.132 0.076 3.423) 3.427 2.094 ( 22.249 12.845 1.153) 25.717 2.245 ( 6.028 3.480 -0.812) 7.008 3.025 ( -4.035 -2.330 5.569) 7.261 3.724 ( 2.124 1.226 0.527) 2.509 3.826 ( -0.303 -0.175 -0.622) 0.714 4.181 ( 4.316 2.492 0.733) 5.038 4.683 ( -11.156 -6.441 3.333) 13.306 4.729 ( -4.195 -2.422 0.854) 4.919 5.473 ( -4.917 -2.839 -8.817) 10.487======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( 14.584 8.420 -6.224) 17.954 1.432 ( 13.994 8.079 -10.095) 19.053 2.086 ( -0.148 -0.085 4.695) 4.698 2.269 ( 3.979 2.297 -8.146) 9.352 2.622 ( 15.118 8.728 5.230) 18.223 2.975 ( -1.848 -1.067 11.365) 11.564 3.780 ( 2.491 1.438 0.810) 2.988 3.824 ( 0.425 0.245 -1.048) 1.157 4.236 ( 0.040 0.023 -0.943) 0.944 4.426 ( -10.760 -6.212 5.088) 13.426 4.665 ( -1.552 -0.896 -1.911) 2.620 5.332 ( -5.041 -2.910 -7.621) 9.589======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( 11.588 6.690 -6.909) 15.059 1.691 ( 11.225 6.481 -9.771) 16.232 2.094 ( -0.646 -0.373 5.911) 5.958 2.349 ( 4.788 2.765 -3.903) 6.768 2.768 ( -2.423 -1.399 6.806) 7.359 3.059 ( 4.421 2.552 6.895) 8.579 3.824 ( 0.752 0.434 0.954) 1.290 3.850 ( 2.357 1.361 -1.231) 2.987 4.160 ( -5.122 -2.957 1.484) 6.098 4.278 ( -3.527 -2.036 -0.407) 4.093 4.660 ( 1.973 1.139 -1.748) 2.872 5.199 ( -5.017 -2.897 -4.754) 7.494======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 7.130 4.116 -6.486) 10.481 1.886 ( 7.690 4.440 -6.422) 10.958 2.090 ( -1.216 -0.702 5.983) 6.146 2.448 ( 3.699 2.136 -1.468) 4.517 2.692 ( -4.352 -2.512 7.748) 9.235 3.103 ( -1.192 -0.688 0.504) 1.465 3.838 ( 0.412 0.238 0.162) 0.502 3.897 ( 1.603 0.925 -0.343) 1.882 4.089 ( -1.496 -0.864 1.468) 2.267 4.208 ( -2.204 -1.272 -1.754) 3.091 4.748 ( 5.614 3.241 -0.492) 6.502 5.067 ( -5.689 -3.284 -2.274) 6.951======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( -0.000 -0.000 0.000) 0.000 1.974 ( 0.000 0.000 -0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.481 ( -0.000 -0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 -0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.428 ( -0.000 17.615 13.051) 21.923 0.454 ( -0.000 20.550 7.906) 22.018 0.701 ( 0.000 33.631 4.516) 33.933 2.031 ( 0.000 -0.607 -3.259) 3.315 2.094 ( 0.000 4.420 0.236) 4.426 3.199 ( -0.000 -4.484 -0.538) 4.516 3.654 ( 0.000 0.480 -0.789) 0.924 3.862 ( -0.000 -0.415 0.968) 1.053 3.913 ( 0.000 5.006 -1.069) 5.119 4.856 ( 0.000 -2.023 -8.368) 8.609 5.029 ( 0.000 -0.459 -11.184) 11.193 5.720 ( -0.000 -3.077 3.888) 4.959======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.564 ( 1.735 16.061 9.449) 18.715 0.785 ( 6.029 22.785 -2.603) 23.713 1.262 ( 21.052 25.392 9.307) 34.272 2.035 ( 2.334 -0.743 -3.235) 4.058 2.147 ( 0.322 5.345 -1.094) 5.465 3.128 ( -1.752 -5.140 -1.523) 5.640 3.667 ( 1.047 0.569 -0.398) 1.256 3.850 ( -0.827 -0.129 0.445) 0.948 4.009 ( 4.254 5.323 0.098) 6.815 4.798 ( -0.800 -3.432 -6.898) 7.746 4.973 ( -2.043 -6.821 1.437) 7.264 5.641 ( -5.282 -2.393 -2.376) 6.267======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( 10.545 12.236 2.800) 16.394 1.100 ( 6.849 20.900 -5.785) 22.741 1.878 ( 20.095 18.223 3.628) 27.369 2.082 ( 3.974 2.442 1.765) 4.987 2.199 ( 1.312 4.061 -2.803) 5.106 3.045 ( -1.420 -5.151 1.390) 5.521 3.697 ( 1.840 0.594 0.065) 1.935 3.839 ( -0.822 0.578 0.011) 1.005 4.136 ( 4.438 3.698 0.584) 5.806 4.722 ( -1.839 -3.929 -4.382) 6.166 4.827 ( -7.362 -7.526 6.098) 12.166 5.498 ( -5.864 -3.624 -7.098) 9.895======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 13.112 9.421 -1.630) 16.228 1.394 ( 7.286 17.560 -7.415) 20.406 2.092 ( 2.621 1.646 -0.782) 3.192 2.223 ( 1.391 4.757 -6.293) 8.010 2.473 ( 16.698 13.126 7.596) 22.557 2.996 ( 0.038 -4.212 6.692) 7.907 3.742 ( 2.687 0.383 0.511) 2.762 3.835 ( -0.701 1.467 -0.317) 1.657 4.216 ( 1.954 0.672 -0.625) 2.158 4.585 ( -9.767 -5.224 4.163) 11.832 4.680 ( -2.995 -2.401 -0.751) 3.912 5.338 ( -4.440 -5.401 -8.126) 10.720======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( 12.533 6.691 -4.691) 14.961 1.651 ( 6.928 14.154 -7.504) 17.453 2.134 ( -0.506 2.485 3.376) 4.223 2.290 ( 3.997 3.730 -4.608) 7.150 2.772 ( 4.310 2.899 2.826) 5.914 3.036 ( 4.210 1.286 9.460) 10.434 3.796 ( 2.888 -0.304 1.524) 3.279 3.843 ( -0.144 2.315 -1.051) 2.547 4.206 ( -1.713 -1.932 -1.301) 2.891 4.386 ( -9.998 -0.642 3.033) 10.468 4.638 ( 0.257 -0.438 -2.070) 2.132 5.198 ( -2.602 -6.325 -5.847) 8.998======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 10.407 4.032 -5.729) 12.545 1.864 ( 5.413 11.285 -6.278) 14.002 2.146 ( -2.119 2.000 4.952) 5.746 2.399 ( 4.800 3.858 -1.916) 6.450 2.766 ( -3.777 -2.207 5.171) 6.774 3.125 ( 0.194 1.081 3.305) 3.483 3.833 ( 0.948 0.008 1.659) 1.910 3.877 ( 1.677 2.050 -1.026) 2.840 4.147 ( -2.818 0.278 -0.355) 2.854 4.254 ( -6.007 0.351 -0.214) 6.021 4.678 ( 4.444 1.433 -1.224) 4.828 5.081 ( -2.454 -6.381 -3.001) 7.466======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( 6.289 0.934 -4.277) 7.662 2.013 ( 2.026 8.021 -3.803) 9.105 2.130 ( -3.207 1.021 4.478) 5.601 2.487 ( 1.426 2.418 -0.742) 2.904 2.686 ( -3.741 -0.961 1.519) 4.151 3.108 ( -2.331 0.817 2.374) 3.426 3.845 ( 0.045 0.233 0.412) 0.476 3.914 ( 0.728 1.039 -0.231) 1.290 4.124 ( -2.169 3.552 -0.508) 4.193 4.183 ( -1.942 -0.550 0.075) 2.020 4.794 ( 6.580 0.969 0.030) 6.651 4.964 ( -3.112 -5.387 -1.299) 6.355======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( -1.121 -4.207 1.527) 4.613 2.042 ( -5.568 2.716 2.472) 6.670 2.099 ( -1.726 2.607 -1.896) 3.656 2.493 ( -2.228 0.232 0.421) 2.280 2.648 ( 0.280 1.925 -6.584) 6.865 3.114 ( -0.322 2.487 3.561) 4.356 3.840 ( -0.421 -0.519 -0.638) 0.924 3.917 ( -1.096 0.130 0.316) 1.148 4.124 ( -2.435 4.580 -0.592) 5.221 4.188 ( 2.099 0.833 1.215) 2.564 4.793 ( -3.835 -4.995 -0.121) 6.299 4.975 ( 6.994 0.246 1.065) 7.079======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( -7.606 -8.048 6.426) 12.803 1.919 ( -10.763 0.029 5.530) 12.101 2.102 ( -1.226 3.909 -4.657) 6.202 2.416 ( -4.701 -2.307 1.799) 5.537 2.700 ( 4.094 3.605 -9.123) 10.629 3.110 ( -4.254 -0.052 0.017) 4.254 3.817 ( -0.420 -1.824 -1.594) 2.458 3.887 ( -2.361 -0.024 1.108) 2.608 4.145 ( 0.619 4.140 -0.712) 4.246 4.259 ( 2.567 3.921 0.946) 4.781 4.688 ( -2.893 -2.909 0.915) 4.203 5.108 ( 7.823 -0.805 3.006) 8.419======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( -12.050 -9.661 6.846) 16.894 1.720 ( -14.590 -0.001 7.288) 16.309 2.098 ( -1.768 3.268 -4.392) 5.752 2.332 ( -3.329 -1.970 4.424) 5.877 2.744 ( -2.919 -0.177 -3.305) 4.413 2.948 ( -7.257 -3.282 -9.487) 12.387 3.781 ( -0.666 -2.649 -1.598) 3.165 3.855 ( -2.088 0.864 1.440) 2.680 4.215 ( 2.862 1.131 0.588) 3.133 4.360 ( 3.813 7.530 -2.686) 8.858 4.655 ( 0.445 -0.500 1.610) 1.744 5.249 ( 8.145 -0.797 5.264) 9.730======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -14.954 -9.895 5.298) 18.698 1.462 ( -18.519 1.108 7.299) 19.936 2.081 ( -1.805 1.672 -2.873) 3.782 2.283 ( -2.804 -1.346 6.014) 6.770 2.414 ( -24.076 -7.635 -4.721) 25.695 2.929 ( 5.691 0.271 -7.845) 9.695 3.735 ( -1.326 -2.041 -0.992) 2.628 3.841 ( -1.119 1.041 1.009) 1.832 4.219 ( -2.178 -1.471 0.010) 2.628 4.546 ( 9.605 7.346 -4.254) 12.818 4.690 ( 2.746 0.531 1.348) 3.105 5.403 ( 7.913 0.190 6.096) 9.991======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.841 ( -16.226 -7.840 3.231) 18.308 1.154 ( -21.383 2.197 5.572) 22.206 1.835 ( -30.431 -7.542 -4.614) 31.690 2.066 ( -1.399 0.504 -2.375) 2.802 2.230 ( -4.004 -1.007 3.471) 5.394 3.028 ( 6.524 0.581 -2.341) 6.956 3.695 ( -1.321 -0.952 -0.523) 1.710 3.841 ( -0.176 0.599 0.559) 0.838 4.130 ( -5.745 -1.552 -0.690) 5.991 4.757 ( 3.835 0.404 1.809) 4.259 4.774 ( 11.139 3.833 -3.911) 12.412 5.550 ( 6.405 0.764 4.247) 7.723======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.520 ( -16.161 -0.000 0.000) 16.161 0.800 ( -22.717 -0.000 0.000) 22.717 1.216 ( -34.316 -0.000 0.000) 34.316 2.050 ( -0.436 -0.000 0.000) 0.436 2.151 ( -4.797 -0.000 0.000) 4.797 3.134 ( 5.490 0.000 -0.000) 5.490 3.669 ( -0.992 -0.000 0.000) 0.992 3.848 ( 0.497 0.000 -0.000) 0.497 4.008 ( -6.713 -0.000 0.000) 6.713 4.829 ( 3.702 0.000 -0.000) 3.702 4.967 ( 9.421 0.000 -0.000) 9.421 5.652 ( 4.048 0.000 -0.000) 4.048======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( -0.000 17.910 11.663) 21.373 0.909 ( -0.000 20.689 6.744) 21.761 1.382 ( 0.000 32.242 3.857) 32.472 1.986 ( 0.000 -1.089 -5.791) 5.892 2.206 ( 0.000 6.233 -0.471) 6.251 3.072 ( 0.000 -6.957 -2.974) 7.566 3.664 ( 0.000 1.223 -1.311) 1.793 3.860 ( -0.000 -0.430 1.571) 1.629 4.028 ( 0.000 6.785 -1.414) 6.930 4.729 ( 0.000 -5.165 -9.609) 10.909 4.921 ( -0.000 -7.754 3.711) 8.596 5.664 ( -0.000 -3.593 -0.542) 3.634======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.986 ( -4.016 18.858 11.599) 22.501 1.204 ( 4.557 19.968 -0.318) 20.484 1.821 ( 11.469 25.152 1.965) 27.714 2.003 ( 5.668 1.233 -2.653) 6.379 2.252 ( -1.148 5.567 -1.845) 5.976 2.990 ( 0.116 -7.531 -1.373) 7.656 3.681 ( 0.847 1.277 -0.783) 1.721 3.857 ( -0.446 0.342 0.963) 1.115 4.116 ( 2.715 5.276 -0.686) 5.973 4.655 ( 1.255 -6.857 -6.344) 9.425 4.837 ( -2.119 -8.067 4.288) 9.378 5.563 ( -6.331 -3.969 -2.763) 7.967======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( 1.376 17.016 7.855) 18.792 1.453 ( 4.210 17.116 -4.764) 18.258 2.029 ( 5.420 3.671 -6.771) 9.418 2.268 ( -1.489 4.034 -2.121) 4.795 2.370 ( 14.901 18.252 5.344) 24.161 2.935 ( 1.967 -6.713 2.953) 7.593 3.712 ( 1.532 0.866 0.377) 1.800 3.862 ( -0.308 1.607 0.230) 1.652 4.192 ( 1.660 1.820 -0.804) 2.591 4.597 ( 0.904 -6.534 -1.594) 6.786 4.722 ( -4.099 -5.222 2.327) 7.035 5.373 ( -8.366 -5.170 -5.078) 11.068======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( 4.437 13.081 2.906) 14.116 1.670 ( 5.158 14.001 -5.394) 15.866 2.145 ( 4.206 4.938 -2.514) 6.957 2.281 ( -0.033 3.496 -1.508) 3.808 2.714 ( 7.444 5.748 -0.309) 9.410 2.980 ( 6.244 0.853 7.496) 9.793 3.753 ( 2.267 0.324 1.711) 2.858 3.877 ( -0.547 2.681 -0.166) 2.742 4.196 ( -0.512 -1.796 -1.676) 2.510 4.530 ( -4.232 -2.531 2.474) 5.517 4.634 ( -1.839 -1.316 -1.525) 2.727 5.169 ( -5.593 -7.284 -5.314) 10.610======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 5.742 9.216 -0.432) 10.867 1.875 ( 5.073 11.865 -4.043) 13.522 2.218 ( -1.101 3.820 2.080) 4.487 2.353 ( 4.328 3.993 -1.056) 5.983 2.784 ( 1.222 -1.629 0.997) 2.267 3.127 ( 3.031 3.426 2.614) 5.268 3.807 ( 2.614 0.265 2.948) 3.949 3.894 ( -0.645 2.954 -0.605) 3.083 4.153 ( -0.690 -2.388 -1.988) 3.183 4.419 ( -8.695 2.449 1.036) 9.092 4.627 ( 1.978 0.431 -1.655) 2.615 5.020 ( -1.206 -8.507 -3.087) 9.129======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( 4.894 6.065 -1.794) 7.998 2.043 ( 3.219 9.163 -2.828) 10.116 2.214 ( -3.262 1.681 3.879) 5.339 2.462 ( 3.869 2.456 -0.300) 4.592 2.763 ( -3.433 1.280 -0.094) 3.665 3.157 ( -1.150 1.227 0.982) 1.947 3.848 ( 0.515 0.166 2.109) 2.178 3.913 ( 0.459 1.832 -0.675) 2.005 4.131 ( 1.001 -1.095 -1.606) 2.187 4.308 ( -8.042 4.731 0.311) 9.335 4.693 ( 5.152 0.258 -0.504) 5.183 4.925 ( -0.309 -7.492 -1.307) 7.612======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 0.782 1.698 -1.372) 2.319 2.135 ( -0.799 5.172 -0.821) 5.297 2.171 ( -3.743 1.017 2.590) 4.664 2.509 ( 0.504 -1.107 -0.293) 1.251 2.707 ( -5.065 5.512 -4.962) 8.981 3.169 ( -0.466 2.909 4.500) 5.379 3.842 ( -0.874 -0.645 -0.548) 1.217 3.932 ( 0.078 0.660 0.274) 0.719 4.152 ( 2.188 -1.126 0.706) 2.560 4.252 ( -5.025 7.491 -0.399) 9.030 4.760 ( 2.341 -4.300 0.039) 4.896 4.871 ( 2.840 -3.287 -0.265) 4.352======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( -5.206 -3.339 1.924) 6.477 2.078 ( -6.877 0.280 1.039) 6.960 2.171 ( -1.752 4.639 -0.250) 4.965 2.460 ( -2.870 -3.260 -0.570) 4.381 2.692 ( -1.415 6.107 -7.043) 9.429 3.198 ( -2.811 3.057 4.705) 6.275 3.806 ( -1.261 -1.902 -2.120) 3.116 3.929 ( -1.379 0.734 0.859) 1.782 4.163 ( 0.518 -1.155 1.572) 2.018 4.298 ( 0.016 9.490 -0.627) 9.511 4.700 ( -2.046 -3.928 0.197) 4.433 4.949 ( 8.158 -3.556 1.240) 8.985======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( -9.982 -5.002 3.953) 11.844 1.937 ( -9.711 -0.298 1.939) 9.907 2.182 ( -2.910 5.331 -0.981) 6.152 2.368 ( -3.170 -3.432 0.511) 4.700 2.724 ( 1.844 3.019 -5.578) 6.605 3.104 ( -11.590 -0.483 0.325) 11.605 3.760 ( -0.683 -2.243 -1.816) 2.965 3.909 ( -2.258 1.198 0.954) 2.728 4.180 ( 2.055 -0.353 0.794) 2.231 4.398 ( 0.843 8.543 -1.203) 8.668 4.650 ( -0.555 -1.454 0.813) 1.756 5.076 ( 10.274 -3.652 2.670) 11.226======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( -14.529 -3.866 2.736) 15.282 1.752 ( -12.702 0.104 2.526) 12.951 2.156 ( -4.583 3.311 -1.187) 5.777 2.307 ( -1.113 -2.207 1.592) 2.940 2.747 ( -12.239 0.720 3.761) 12.824 2.831 ( -4.591 -2.469 -8.698) 10.141 3.729 ( -0.498 -1.351 -0.757) 1.627 3.884 ( -2.125 0.905 0.577) 2.381 4.215 ( 1.498 -0.564 0.330) 1.634 4.490 ( 3.196 5.086 -1.834) 6.281 4.655 ( 1.687 -0.243 0.755) 1.864 5.245 ( 10.949 -1.420 2.620) 11.347======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( -16.961 -0.000 0.000) 16.961 1.504 ( -17.098 -0.000 0.000) 17.098 2.101 ( -3.038 -0.000 0.000) 3.038 2.258 ( -9.217 -0.000 0.000) 9.217 2.337 ( -21.441 -0.000 0.000) 21.441 2.905 ( 7.039 0.000 -0.000) 7.039 3.709 ( -0.997 -0.000 0.000) 0.997 3.859 ( -1.327 -0.000 0.000) 1.327 4.200 ( -2.927 -0.000 0.000) 2.927 4.615 ( 8.592 0.000 -0.000) 8.592 4.699 ( 3.210 0.000 -0.000) 3.210 5.421 ( 9.375 0.000 -0.000) 9.375======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( -0.000 17.537 9.228) 19.816 1.347 ( 0.000 19.503 4.865) 20.100 1.923 ( 0.000 -1.269 -6.701) 6.820 2.016 ( 0.000 29.027 3.010) 29.183 2.308 ( 0.000 4.781 -4.184) 6.353 2.902 ( -0.000 -8.610 -0.173) 8.612 3.689 ( 0.000 2.160 -1.404) 2.577 3.865 ( -0.000 -0.022 1.583) 1.583 4.145 ( 0.000 5.552 -1.544) 5.763 4.538 ( 0.000 -9.490 -4.446) 10.480 4.790 ( -0.000 -6.778 2.791) 7.330 5.571 ( 0.000 -5.077 -1.995) 5.455======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( -4.134 18.317 10.542) 21.535 1.551 ( 1.303 14.760 -2.043) 14.957 1.946 ( 5.409 2.008 -5.930) 8.273 2.314 ( -0.284 3.580 -2.005) 4.113 2.380 ( 7.659 21.710 -2.016) 23.110 2.839 ( 1.746 -6.936 4.545) 8.474 3.711 ( 0.372 2.130 -0.493) 2.218 3.874 ( 0.355 0.720 0.913) 1.216 4.196 ( 0.495 3.076 -1.494) 3.456 4.461 ( 3.532 -9.605 -1.505) 10.343 4.723 ( -1.649 -4.697 0.886) 5.057 5.450 ( -6.611 -5.684 -2.795) 9.155======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( -3.223 13.881 6.066) 15.488 1.713 ( 3.736 12.639 -2.371) 13.392 2.091 ( 7.058 6.043 -3.544) 9.945 2.316 ( -0.394 2.380 -3.459) 4.217 2.634 ( 5.468 1.940 -3.047) 6.554 2.920 ( 6.668 7.077 7.831) 12.485 3.741 ( 0.846 1.520 1.466) 2.275 3.898 ( 0.764 1.696 0.165) 1.867 4.193 ( -1.352 -0.843 -1.752) 2.368 4.464 ( 5.423 -6.030 0.150) 8.111 4.656 ( -2.142 -1.896 -0.626) 2.928 5.233 ( -9.873 -6.289 -3.331) 12.170======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( 0.735 10.239 2.832) 10.649 1.903 ( 3.966 11.864 -0.226) 12.512 2.247 ( 4.008 5.889 -1.759) 7.338 2.338 ( 0.985 2.432 0.571) 2.686 2.687 ( 5.899 -4.343 -2.226) 7.656 3.126 ( 3.739 7.965 1.564) 8.937 3.782 ( 1.780 1.005 3.222) 3.816 3.929 ( 0.230 2.306 -0.039) 2.317 4.141 ( -1.796 -2.064 -1.999) 3.389 4.499 ( 2.317 -1.871 0.321) 2.995 4.617 ( -1.060 0.669 -1.426) 1.898 4.997 ( -7.674 -7.319 -2.495) 10.894======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( 2.042 8.851 2.384) 9.392 2.068 ( 3.311 8.600 -0.610) 9.235 2.294 ( -2.552 2.203 2.200) 4.025 2.413 ( 3.910 1.404 0.942) 4.260 2.768 ( 5.563 1.592 -2.220) 6.197 3.189 ( -1.440 2.747 -2.634) 4.069 3.835 ( 1.993 0.426 3.193) 3.788 3.942 ( -1.287 1.915 -0.022) 2.307 4.096 ( -0.050 -1.860 -1.802) 2.590 4.484 ( -5.093 3.436 -0.139) 6.146 4.628 ( 2.148 0.204 -1.160) 2.450 4.842 ( -0.856 -7.569 -0.654) 7.645======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -0.310 6.017 1.118) 6.127 2.178 ( 1.460 5.245 -0.625) 5.480 2.251 ( -3.925 0.132 2.738) 4.787 2.466 ( 2.059 -2.019 0.059) 2.884 2.850 ( -2.574 8.561 -3.971) 9.782 3.185 ( 1.529 0.733 0.476) 1.761 3.858 ( -0.919 0.053 0.773) 1.202 3.932 ( -0.191 -0.106 0.286) 0.360 4.097 ( 2.179 -1.632 -0.144) 2.727 4.425 ( -6.286 6.616 -0.453) 9.138 4.668 ( 3.382 -2.623 -0.226) 4.286 4.793 ( 1.733 -4.923 -0.111) 5.220======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( -4.901 1.090 0.455) 5.041 2.180 ( -4.482 0.622 0.299) 4.535 2.232 ( -0.571 3.171 0.957) 3.362 2.448 ( -0.378 -3.610 -1.098) 3.792 2.822 ( -6.959 7.329 -4.854) 11.212 3.259 ( 2.108 2.908 4.333) 5.628 3.816 ( -2.550 -1.119 -1.569) 3.196 3.942 ( 0.820 0.047 0.767) 1.124 4.121 ( 2.233 -2.256 1.202) 3.395 4.421 ( -2.863 9.045 -0.679) 9.511 4.674 ( 0.927 -3.511 0.126) 3.633 4.797 ( 4.311 -4.525 0.143) 6.251======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( -7.842 -1.306 0.879) 7.999 2.082 ( -7.287 0.008 0.076) 7.288 2.260 ( -0.414 3.748 0.757) 3.845 2.382 ( -2.813 -3.437 -1.103) 4.576 2.760 ( -4.173 2.943 -2.846) 5.846 3.274 ( -5.626 1.737 2.478) 6.388 3.757 ( -1.821 -1.334 -1.427) 2.671 3.951 ( -0.857 0.736 0.466) 1.222 4.138 ( 1.990 -1.395 0.732) 2.538 4.478 ( -0.942 7.053 -0.584) 7.139 4.648 ( -0.590 -1.442 0.252) 1.578 4.866 ( 9.231 -4.240 0.731) 10.184======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( -10.965 -0.000 0.000) 10.965 1.939 ( -9.294 -0.000 0.000) 9.294 2.274 ( -5.875 -0.000 0.000) 5.875 2.295 ( 0.479 0.000 -0.000) 0.479 2.740 ( 0.975 0.000 -0.000) 0.975 3.100 ( -15.457 -0.000 0.000) 15.457 3.729 ( -0.564 -0.000 0.000) 0.564 3.928 ( -2.167 -0.000 0.000) 2.167 4.173 ( 2.627 0.000 -0.000) 2.627 4.498 ( -0.437 -0.000 0.000) 0.437 4.638 ( 0.250 0.000 -0.000) 0.250 5.036 ( 12.082 0.000 -0.000) 12.082======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 0.000 14.341 2.901) 14.631 1.719 ( 0.000 15.196 1.022) 15.230 1.871 ( 0.000 0.273 -2.607) 2.622 2.318 ( 0.000 0.650 -8.771) 8.795 2.511 ( 0.000 14.568 -1.416) 14.637 2.805 ( -0.000 1.614 10.086) 10.214 3.732 ( 0.000 2.856 -1.060) 3.047 3.878 ( -0.000 0.455 1.037) 1.132 4.217 ( 0.000 2.192 -1.874) 2.883 4.323 ( -0.000 -9.805 0.170) 9.806 4.699 ( -0.000 -3.004 -0.336) 3.023 5.439 ( 0.000 -6.747 -2.565) 7.218======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( -2.954 4.460 -6.328) 8.286 1.827 ( -0.004 15.564 7.198) 17.148 2.002 ( 7.962 4.883 -3.002) 9.811 2.304 ( 1.084 0.898 -7.593) 7.722 2.571 ( 0.739 -2.935 2.087) 3.676 2.964 ( 3.602 14.896 7.695) 17.149 3.758 ( 0.038 2.557 0.299) 2.575 3.893 ( 0.899 0.749 0.359) 1.224 4.199 ( -0.591 -2.885 -1.164) 3.167 4.301 ( 4.842 -4.460 -0.054) 6.583 4.667 ( -1.123 -0.813 -1.045) 1.736 5.305 ( -6.231 -7.183 -2.684) 9.881======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 1.339 4.788 -2.107) 5.399 2.002 ( 0.178 12.908 6.113) 14.283 2.176 ( 9.556 3.291 -5.354) 11.438 2.337 ( 2.018 2.555 -2.332) 4.005 2.546 ( 2.059 -5.752 1.397) 6.267 3.176 ( 2.323 11.408 2.309) 11.869 3.787 ( 0.396 1.698 2.738) 3.246 3.924 ( 1.645 0.797 -0.344) 1.860 4.158 ( -1.571 -0.862 -1.554) 2.372 4.362 ( 7.108 -4.351 -0.320) 8.340 4.644 ( -1.272 1.344 -1.009) 2.108 5.087 ( -9.546 -6.727 -2.197) 11.883======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( 4.044 6.533 1.837) 7.900 2.115 ( 0.637 7.216 1.846) 7.476 2.342 ( 3.386 4.973 -0.789) 6.068 2.370 ( 0.660 -1.221 3.141) 3.435 2.601 ( 10.657 -1.163 -3.497) 11.277 3.256 ( -2.439 5.227 -2.715) 6.375 3.822 ( 1.100 0.651 3.423) 3.654 3.958 ( 1.337 0.616 -0.151) 1.479 4.113 ( -3.099 0.598 -1.601) 3.539 4.449 ( 7.156 -3.083 -0.510) 7.808 4.641 ( -1.291 2.130 -0.698) 2.587 4.862 ( -8.141 -5.033 -0.806) 9.605======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( 1.473 6.395 2.820) 7.143 2.194 ( 1.638 4.340 0.048) 4.639 2.318 ( -3.214 -1.428 2.037) 4.064 2.417 ( 1.439 -0.698 0.694) 1.744 2.835 ( 12.649 5.604 -2.110) 13.995 3.203 ( -4.923 0.696 -3.934) 6.340 3.855 ( 1.441 -0.003 1.789) 2.297 3.962 ( -2.137 -0.073 0.617) 2.225 4.067 ( -1.010 -0.204 -0.901) 1.368 4.529 ( 3.161 0.379 -0.410) 3.210 4.615 ( -2.221 0.013 -0.936) 2.411 4.742 ( -1.461 -2.515 0.622) 2.974======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( -4.340 2.790 1.245) 5.307 2.243 ( -1.103 1.409 -0.017) 1.789 2.264 ( -1.193 0.501 0.751) 1.496 2.411 ( 0.286 -2.351 -0.324) 2.391 3.006 ( -5.713 7.333 -2.855) 9.724 3.177 ( 8.529 -1.940 0.990) 8.802 3.868 ( -3.207 1.131 -0.704) 3.473 3.910 ( 0.834 -2.103 1.217) 2.569 4.072 ( 1.521 -0.699 0.187) 1.685 4.546 ( -2.807 5.196 -0.630) 5.939 4.612 ( 2.429 -2.242 0.039) 3.306 4.717 ( 0.817 -2.960 0.282) 3.084======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( -7.399 -0.000 0.000) 7.399 2.187 ( -4.826 -0.000 0.000) 4.826 2.276 ( 0.384 0.000 -0.000) 0.384 2.395 ( -0.791 -0.000 0.000) 0.791 2.887 ( -8.443 -0.000 0.000) 8.443 3.308 ( 3.697 0.000 -0.000) 3.697 3.796 ( -3.759 -0.000 0.000) 3.759 3.945 ( 2.009 0.000 -0.000) 2.009 4.097 ( 1.847 0.000 -0.000) 1.847 4.544 ( -1.847 -0.000 0.000) 1.847 4.632 ( 1.648 0.000 -0.000) 1.648 4.727 ( 3.439 0.000 -0.000) 3.439======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 0.000 1.088 -7.841) 7.916 1.885 ( 0.000 1.987 -9.078) 9.293 2.023 ( -0.000 10.202 7.160) 12.463 2.295 ( 0.000 3.557 -3.099) 4.718 2.544 ( -0.000 -4.349 4.879) 6.536 3.117 ( -0.000 15.991 6.671) 17.327 3.785 ( 0.000 2.829 -0.434) 2.862 3.893 ( -0.000 0.587 0.236) 0.633 4.127 ( -0.000 -7.244 1.204) 7.344 4.260 ( 0.000 0.692 -1.640) 1.780 4.674 ( 0.000 1.169 -1.247) 1.710 5.274 ( 0.000 -8.288 -2.659) 8.704======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 0.403 1.154 -4.804) 4.958 1.956 ( 10.626 -3.299 -10.434) 15.254 2.140 ( 0.320 10.044 6.015) 11.712 2.341 ( 0.587 3.903 0.637) 3.998 2.510 ( -0.763 -3.310 3.419) 4.819 3.281 ( 0.177 11.596 3.944) 12.250 3.811 ( 0.005 2.236 1.245) 2.559 3.903 ( 0.775 0.137 -0.452) 0.908 4.112 ( 4.157 -3.768 0.325) 5.621 4.262 ( 0.598 -0.528 -1.321) 1.543 4.684 ( -1.011 3.292 -0.901) 3.560 5.135 ( -5.118 -8.320 -2.335) 10.043======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 5.856 3.299 0.019) 6.721 2.079 ( 9.666 -3.119 -6.377) 11.993 2.295 ( 5.119 8.006 4.701) 10.602 2.372 ( 0.254 0.221 0.905) 0.966 2.488 ( 0.432 -0.523 0.314) 0.747 3.352 ( -2.766 5.587 -0.198) 6.237 3.833 ( -0.232 1.072 2.932) 3.130 3.925 ( 2.117 -0.083 -1.025) 2.354 4.161 ( 0.687 1.863 -1.073) 2.257 4.280 ( 5.573 -3.807 -0.321) 6.757 4.696 ( -1.938 4.082 -0.188) 4.522 4.943 ( -7.104 -6.525 -1.457) 9.755======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 6.528 3.258 1.547) 7.458 2.182 ( 5.133 0.609 -1.640) 5.423 2.335 ( -1.816 -2.368 2.098) 3.648 2.434 ( -1.051 2.778 1.244) 3.220 2.602 ( 14.647 1.501 -1.632) 14.814 3.305 ( -5.786 1.506 -1.939) 6.285 3.844 ( 0.204 0.078 1.484) 1.500 3.961 ( 1.808 0.006 -0.092) 1.810 4.132 ( -4.677 1.314 -0.662) 4.903 4.387 ( 9.150 -2.227 -0.166) 9.419 4.680 ( -3.630 1.601 -0.060) 3.968 4.789 ( -4.727 -2.041 -0.269) 5.156======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( 1.606 0.000 -0.000) 1.606 2.250 ( 2.071 0.000 -0.000) 2.071 2.283 ( -2.146 -0.000 0.000) 2.146 2.414 ( -1.760 -0.000 0.000) 1.760 2.901 ( 17.330 0.000 -0.000) 17.330 3.189 ( -7.832 -0.000 0.000) 7.832 3.860 ( 1.548 0.000 -0.000) 1.548 3.960 ( -3.004 -0.000 0.000) 3.004 4.065 ( -1.926 -0.000 0.000) 1.926 4.517 ( 6.658 0.000 -0.000) 6.658 4.623 ( -3.100 -0.000 0.000) 3.100 4.723 ( -2.579 -0.000 0.000) 2.579======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 0.000 -0.026 -4.335) 4.335 1.770 ( 0.000 -4.453 -8.704) 9.777 2.227 ( -0.000 6.241 3.711) 7.262 2.376 ( -0.000 1.834 2.348) 2.979 2.505 ( -0.000 -0.547 1.599) 1.690 3.399 ( -0.000 8.555 3.931) 9.415 3.833 ( 0.000 1.907 0.127) 1.911 3.901 ( 0.000 0.249 -0.319) 0.405 4.028 ( -0.000 -3.413 0.838) 3.515 4.261 ( 0.000 0.326 -1.204) 1.248 4.737 ( 0.000 5.704 -0.446) 5.721 5.082 ( -0.000 -9.342 -2.196) 9.597======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( 3.869 1.189 -0.483) 4.076 1.822 ( 10.241 -3.498 -5.584) 12.178 2.305 ( 2.610 3.672 2.130) 4.983 2.382 ( -0.649 -0.395 1.608) 1.779 2.505 ( -0.895 0.906 0.258) 1.299 3.450 ( -2.469 3.749 1.376) 4.695 3.858 ( 0.395 1.507 1.760) 2.350 3.891 ( 0.107 -0.743 -1.335) 1.532 4.068 ( 6.433 -0.977 0.050) 6.507 4.251 ( -1.131 -0.074 -0.588) 1.277 4.786 ( -1.905 6.939 0.308) 7.202 4.953 ( -3.344 -8.560 -1.554) 9.320======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 7.294 0.000 -0.000) 7.294 2.004 ( 13.012 0.000 -0.000) 13.012 2.362 ( -1.616 -0.000 0.000) 1.616 2.411 ( 7.450 0.000 -0.000) 7.450 2.486 ( -1.826 -0.000 0.000) 1.826 3.404 ( -4.740 -0.000 0.000) 4.740 3.856 ( -1.047 -0.000 0.000) 1.047 3.919 ( 2.746 0.000 -0.000) 2.746 4.207 ( 9.541 0.000 -0.000) 9.541 4.211 ( -3.204 -0.000 0.000) 3.204 4.776 ( -5.173 -0.000 0.000) 5.173 4.835 ( -3.020 -0.000 0.000) 3.020======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( -0.000 0.000 0.000) 0.000 1.702 ( -0.000 0.000 0.000) 0.000 2.302 ( -0.000 0.000 0.000) 0.000 2.388 ( -0.000 0.000 0.000) 0.000 2.519 ( -0.000 0.000 0.000) 0.000 3.496 ( -0.000 0.000 0.000) 0.000 3.854 ( -0.000 0.000 0.000) 0.000 3.901 ( -0.000 0.000 0.000) 0.000 3.997 ( -0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.892 ( -0.000 -0.000 -0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.191 ( -0.000 -0.000 20.911) 20.911 0.191 ( -0.000 -0.000 20.911) 20.911 0.319 ( -0.000 -0.000 35.064) 35.064 2.037 ( 0.000 0.000 -2.243) 2.243 2.037 ( 0.000 0.000 -2.243) 2.243 3.650 ( 0.000 0.000 -0.437) 0.437 3.650 ( 0.000 0.000 -0.437) 0.437 3.740 ( 0.000 0.000 -7.886) 7.886 3.866 ( -0.000 -0.000 0.721) 0.721 3.866 ( -0.000 -0.000 0.721) 0.721 4.923 ( -0.000 -0.000 4.317) 4.317 5.868 ( 0.000 0.000 -0.510) 0.510======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.347 ( 11.812 6.820 6.435) 15.081 0.406 ( 11.487 6.632 10.887) 17.160 0.893 ( 27.609 15.940 18.272) 36.745 2.048 ( 2.390 1.380 -4.599) 5.363 2.051 ( 0.923 0.533 -1.130) 1.553 3.200 ( -4.452 -2.570 -1.069) 5.251 3.659 ( 0.745 0.430 -0.253) 0.896 3.857 ( -0.728 -0.420 0.566) 1.013 3.928 ( 4.985 2.878 0.662) 5.795 4.772 ( 7.023 4.055 -22.895) 24.288 5.003 ( 4.461 2.576 -2.949) 5.936 5.696 ( -7.889 -4.555 1.531) 9.237======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 14.719 8.498 0.259) 16.997 0.728 ( 14.357 8.289 1.072) 16.612 1.561 ( 26.110 15.074 10.120) 31.802 2.071 ( 1.004 0.580 0.101) 1.164 2.110 ( 4.384 2.531 -4.798) 6.975 3.114 ( -2.851 -1.646 -1.257) 3.523 3.683 ( 1.424 0.822 -0.351) 1.681 3.840 ( -0.847 -0.489 0.547) 1.121 4.065 ( 6.072 3.506 1.313) 7.133 4.756 ( -1.704 -0.984 -6.854) 7.131 4.973 ( -6.705 -3.871 5.061) 9.250 5.530 ( -5.814 -3.357 -7.983) 10.431======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 15.114 8.726 -2.362) 17.612 1.053 ( 14.293 8.252 -4.472) 17.099 2.052 ( 12.312 7.108 -8.747) 16.692 2.096 ( 0.925 0.534 1.489) 1.832 2.290 ( 14.458 8.348 9.136) 19.031 3.066 ( -1.534 -0.886 3.176) 3.636 3.723 ( 2.225 1.285 -0.629) 2.645 3.826 ( -0.492 -0.284 0.612) 0.835 4.186 ( 3.735 2.157 0.304) 4.324 4.681 ( -4.112 -2.374 -2.093) 5.189 4.771 ( -10.943 -6.318 6.681) 14.293 5.383 ( -4.551 -2.627 -10.829) 12.037======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 13.853 7.998 -4.161) 16.528 1.349 ( 13.101 7.564 -7.801) 17.021 2.121 ( 0.648 0.374 3.049) 3.140 2.194 ( 5.910 3.412 -8.077) 10.574 2.675 ( 12.454 7.190 6.046) 15.600 3.067 ( 0.315 0.182 8.679) 8.687 3.780 ( 2.813 1.624 -0.957) 3.386 3.823 ( 0.050 0.029 0.752) 0.754 4.225 ( -0.243 -0.140 -1.476) 1.502 4.474 ( -11.741 -6.779 5.392) 14.591 4.646 ( -1.805 -1.042 -2.208) 3.036 5.259 ( -3.719 -2.147 -8.113) 9.179======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 11.532 6.658 -8.582) 15.841 1.608 ( 11.085 6.400 -5.592) 13.968 2.142 ( 0.009 0.005 4.636) 4.636 2.315 ( 6.146 3.548 -3.516) 7.920 2.814 ( -0.795 -0.459 3.628) 3.742 3.130 ( 1.422 0.821 8.166) 8.330 3.828 ( 0.687 0.397 -0.492) 0.934 3.844 ( 2.428 1.402 0.223) 2.813 4.168 ( -3.945 -2.278 0.187) 4.559 4.278 ( -5.563 -3.212 0.508) 6.444 4.643 ( 2.373 1.370 -2.019) 3.404 5.157 ( -3.844 -2.219 -4.352) 6.216======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 7.467 4.311 -6.259) 10.654 1.823 ( 9.214 5.320 -7.217) 12.856 2.144 ( -1.358 -0.784 5.655) 5.869 2.436 ( 4.269 2.465 -1.306) 5.099 2.738 ( -5.206 -3.006 2.323) 6.445 3.131 ( -2.445 -1.412 5.582) 6.255 3.839 ( 0.376 0.217 0.074) 0.440 3.894 ( 1.696 0.979 -0.271) 1.977 4.098 ( -1.890 -1.091 0.401) 2.219 4.197 ( -1.893 -1.093 -0.669) 2.286 4.742 ( 6.202 3.581 -0.655) 7.191 5.046 ( -5.024 -2.901 -2.124) 6.178======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 3.599 2.078 -4.754) 6.314 1.960 ( 3.273 1.890 -2.971) 4.807 2.106 ( -3.383 -1.953 4.592) 6.029 2.478 ( 0.218 0.126 -0.665) 0.711 2.639 ( -2.908 -1.679 -4.025) 5.242 3.106 ( -0.610 -0.352 6.504) 6.542 3.844 ( -0.050 -0.029 0.050) 0.076 3.915 ( 0.130 0.075 -0.088) 0.174 4.073 ( -0.433 -0.250 -0.996) 1.114 4.184 ( 0.660 0.381 1.190) 1.413 4.862 ( -0.715 -0.413 0.013) 0.826 4.950 ( 1.701 0.982 -0.402) 2.005======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( -4.764 -2.751 4.552) 7.141 1.937 ( -5.092 -2.940 4.751) 7.559 2.041 ( -0.926 -0.535 -4.245) 4.377 2.461 ( -2.850 -1.646 1.321) 3.546 2.605 ( 3.339 1.928 -11.016) 11.671 3.119 ( -1.090 -0.629 3.767) 3.972 3.837 ( -0.563 -0.325 -0.215) 0.685 3.900 ( -1.385 -0.799 0.345) 1.635 4.073 ( 1.198 0.692 -1.980) 2.416 4.227 ( 2.288 1.321 2.185) 3.429 4.751 ( -5.083 -2.935 0.203) 5.873 5.086 ( 6.520 3.764 2.007) 7.792======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( -11.789 -6.806 7.779) 15.678 1.780 ( -10.317 -5.957 9.749) 15.394 2.035 ( 1.092 0.630 -6.934) 7.048 2.384 ( -3.439 -1.986 3.567) 5.338 2.690 ( 5.239 3.025 -10.213) 11.870 3.012 ( -8.943 -5.163 -3.447) 10.887 3.815 ( -1.273 -0.735 -1.080) 1.824 3.862 ( -1.813 -1.047 1.311) 2.470 4.144 ( 5.800 3.348 -1.829) 6.942 4.283 ( 1.942 1.121 0.547) 2.308 4.674 ( -1.592 -0.919 1.260) 2.229 5.240 ( 6.118 3.532 4.172) 8.205======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( -14.908 -8.607 7.662) 18.842 1.527 ( -14.297 -8.254 10.622) 19.630 2.037 ( 0.773 0.447 -6.044) 6.109 2.335 ( -2.468 -1.425 5.860) 6.516 2.588 ( -17.843 -10.302 -1.775) 20.680 2.864 ( 4.189 2.418 -12.957) 13.830 3.769 ( -2.215 -1.279 -1.469) 2.949 3.837 ( -0.730 -0.421 1.695) 1.893 4.242 ( -0.411 -0.237 0.251) 0.536 4.383 ( 9.925 5.730 -4.269) 12.229 4.681 ( 1.508 0.870 1.543) 2.326 5.393 ( 5.909 3.411 5.789) 8.948======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( -16.288 -9.404 8.020) 20.447 1.200 ( -16.733 -9.661 9.975) 21.745 2.035 ( 0.516 0.298 -5.104) 5.139 2.051 ( -26.134 -15.089 -5.811) 30.732 2.284 ( -3.780 -2.182 5.507) 7.027 2.970 ( 6.359 3.671 -6.194) 9.606 3.715 ( -1.970 -1.137 -1.293) 2.616 3.835 ( 0.094 0.054 1.449) 1.453 4.172 ( -4.682 -2.703 -1.195) 5.536 4.635 ( 11.858 6.846 -5.875) 14.899 4.742 ( 3.343 1.930 2.364) 4.527 5.539 ( 5.070 2.927 5.570) 8.080======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( -16.301 -9.412 9.409) 21.044 0.832 ( -17.673 -10.204 9.519) 22.518 1.391 ( -29.464 -17.011 -5.367) 34.443 2.031 ( 0.435 0.251 -4.198) 4.228 2.195 ( -4.907 -2.833 2.832) 6.334 3.097 ( 5.524 3.189 -2.475) 6.842 3.675 ( -1.195 -0.690 -1.101) 1.765 3.847 ( 0.502 0.290 1.221) 1.351 4.041 ( -5.965 -3.444 -1.433) 7.036 4.798 ( 4.232 2.443 -4.567) 6.688 4.900 ( 8.914 5.147 -0.010) 10.293 5.651 ( 3.353 1.936 3.619) 5.300======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( 0.000 21.097 5.266) 21.744 0.562 ( -0.000 15.427 15.852) 22.120 0.832 ( -0.000 24.355 21.321) 32.368 1.992 ( 0.000 -1.287 -5.138) 5.297 2.085 ( 0.000 5.041 -2.193) 5.498 3.190 ( -0.000 -7.017 -1.673) 7.214 3.646 ( 0.000 0.287 -0.979) 1.020 3.872 ( -0.000 -0.245 1.377) 1.398 3.903 ( 0.000 4.823 -1.110) 4.949 4.674 ( 0.000 12.856 -27.216) 30.099 4.994 ( -0.000 2.235 2.344) 3.239 5.743 ( -0.000 -5.891 1.099) 5.992======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.678 ( -2.754 15.785 14.800) 21.812 0.770 ( 3.812 22.055 0.146) 22.383 1.366 ( 20.183 21.327 12.587) 31.947 1.997 ( 3.808 -1.036 -4.758) 6.182 2.130 ( -0.345 5.803 -2.628) 6.379 3.106 ( -1.027 -4.949 -3.317) 6.045 3.663 ( 1.432 0.431 -0.640) 1.626 3.856 ( -1.193 -0.019 0.685) 1.375 4.011 ( 5.091 4.884 0.502) 7.073 4.708 ( 2.352 -0.632 -12.375) 12.613 4.996 ( -0.816 -4.541 3.615) 5.861 5.613 ( -7.907 -3.064 -3.600) 9.213======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( 5.630 13.505 8.356) 16.850 1.056 ( 5.598 19.994 -3.590) 21.071 1.878 ( 13.821 11.122 -4.047) 18.196 2.106 ( 6.539 6.148 2.555) 9.332 2.189 ( 5.033 5.471 1.862) 7.664 3.050 ( 0.606 -4.074 -0.423) 4.140 3.696 ( 1.932 0.828 -0.369) 2.134 3.841 ( -0.905 0.398 0.491) 1.104 4.141 ( 4.384 3.120 0.586) 5.412 4.680 ( -0.063 -2.985 -5.016) 5.837 4.883 ( -6.438 -8.217 6.319) 12.202 5.425 ( -7.900 -2.440 -8.694) 11.998======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 9.289 10.607 2.437) 14.309 1.332 ( 6.604 17.294 -5.966) 19.450 2.061 ( 6.621 2.587 -5.892) 9.233 2.181 ( -0.145 5.465 -2.981) 6.227 2.545 ( 14.786 10.090 7.845) 19.545 3.048 ( 2.623 -2.980 4.582) 6.063 3.744 ( 2.621 1.121 -0.171) 2.855 3.836 ( -0.734 1.084 0.474) 1.392 4.208 ( 1.437 0.170 -1.095) 1.815 4.613 ( -4.990 -3.951 1.556) 6.552 4.684 ( -7.694 -4.687 2.089) 9.248 5.260 ( -4.256 -3.896 -8.892) 10.600======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( 9.964 7.799 -1.997) 12.810 1.588 ( 6.627 14.752 -6.328) 17.366 2.157 ( 1.820 2.405 1.475) 3.357 2.252 ( 4.128 5.250 -3.649) 7.610 2.795 ( 4.677 1.822 2.190) 5.476 3.115 ( 4.017 -0.112 7.729) 8.711 3.805 ( 3.093 1.100 0.285) 3.295 3.839 ( -0.608 1.620 0.370) 1.769 4.192 ( -1.301 -1.969 -1.802) 2.969 4.413 ( -11.391 -1.819 2.962) 11.910 4.618 ( 0.374 -0.261 -2.356) 2.399 5.147 ( -1.532 -5.183 -5.183) 7.488======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 9.104 5.242 -4.154) 11.297 1.808 ( 5.229 12.501 -6.113) 14.866 2.189 ( -1.229 1.822 4.272) 4.804 2.383 ( 5.268 4.526 -1.703) 7.151 2.794 ( -3.318 -2.755 1.049) 4.438 3.167 ( -0.317 -0.938 5.683) 5.768 3.846 ( -0.239 0.867 1.042) 1.377 3.870 ( 2.350 1.784 -0.378) 2.974 4.140 ( -1.978 -0.659 -1.152) 2.382 4.255 ( -6.850 0.701 0.376) 6.896 4.666 ( 4.943 1.833 -1.277) 5.425 5.056 ( -1.847 -5.723 -2.389) 6.471======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 6.404 2.350 -4.805) 8.344 1.973 ( 2.827 9.829 -4.974) 11.373 2.175 ( -3.464 0.251 5.161) 6.220 2.480 ( 1.667 2.634 -0.897) 3.244 2.677 ( -5.393 -2.588 -3.012) 6.697 3.154 ( -1.708 0.097 7.165) 7.366 3.848 ( -0.411 0.193 0.164) 0.483 3.913 ( 0.860 1.126 -0.131) 1.423 4.117 ( -1.858 3.067 -1.005) 3.724 4.187 ( -1.770 0.038 0.841) 1.960 4.794 ( 6.994 1.191 0.016) 7.095 4.952 ( -2.781 -4.992 -1.352) 5.872======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 1.983 -2.039 -2.389) 3.714 2.053 ( -2.087 5.493 -0.348) 5.886 2.104 ( -5.580 -0.490 2.957) 6.334 2.494 ( -1.468 1.056 -0.246) 1.825 2.577 ( -1.989 0.370 -8.372) 8.613 3.165 ( -1.442 1.726 7.109) 7.456 3.834 ( -0.526 -1.168 -0.646) 1.434 3.920 ( -0.930 0.428 0.239) 1.051 4.115 ( -2.741 5.139 -1.303) 5.968 4.203 ( 2.446 0.539 1.951) 3.174 4.791 ( -3.683 -4.832 -0.236) 6.080 4.983 ( 7.861 0.574 0.665) 7.910======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( -5.112 -8.080 5.404) 10.983 1.960 ( -8.746 -1.391 3.178) 9.409 2.070 ( -3.239 5.366 -1.834) 6.531 2.430 ( -3.593 -2.568 1.165) 4.568 2.607 ( 4.075 5.191 -11.059) 12.879 3.123 ( -7.424 -1.042 2.650) 7.952 3.805 ( -0.356 -2.447 -1.171) 2.736 3.896 ( -2.096 0.259 0.937) 2.310 4.136 ( 0.253 5.327 -1.244) 5.476 4.269 ( 2.215 2.628 1.044) 3.592 4.694 ( -2.409 -2.710 0.495) 3.660 5.133 ( 8.848 -0.549 2.415) 9.188======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( -11.715 -11.047 8.318) 18.124 1.777 ( -12.522 -1.690 4.966) 13.577 2.059 ( -2.828 4.789 -3.996) 6.848 2.366 ( -1.782 -2.328 2.948) 4.157 2.706 ( 3.508 3.823 -5.767) 7.758 2.877 ( -15.476 -5.212 -5.179) 17.131 3.768 ( -0.627 -2.572 -1.198) 2.906 3.868 ( -1.965 0.645 1.402) 2.499 4.217 ( 3.282 1.847 -0.098) 3.768 4.337 ( 2.249 6.574 -2.199) 7.287 4.667 ( 0.671 -0.564 1.027) 1.350 5.290 ( 9.134 -0.893 3.745) 9.912======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( -14.719 -12.066 8.131) 20.696 1.521 ( -17.350 -1.188 5.296) 18.179 2.046 ( -1.873 3.442 -4.631) 6.066 2.310 ( -5.801 -3.756 -0.160) 6.913 2.403 ( -22.871 -6.321 1.775) 23.794 2.861 ( 7.430 3.251 -6.605) 10.459 3.726 ( -1.320 -1.691 -1.061) 2.393 3.852 ( -1.123 0.623 1.315) 1.838 4.216 ( -2.661 -1.471 -0.641) 3.107 4.510 ( 8.893 8.005 -3.630) 12.504 4.703 ( 3.012 0.352 1.339) 3.314 5.446 ( 8.476 -0.887 3.293) 9.136======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -15.531 -11.337 8.293) 20.941 1.193 ( -20.479 -1.818 2.815) 20.751 1.810 ( -31.261 -4.843 -0.523) 31.639 2.036 ( -1.173 2.531 -3.951) 4.837 2.254 ( -4.249 -3.020 1.487) 5.421 3.006 ( 7.053 2.619 -2.199) 7.838 3.689 ( -1.360 -0.426 -0.790) 1.629 3.848 ( -0.165 0.015 0.941) 0.956 4.123 ( -5.915 -0.966 -0.796) 6.046 4.713 ( 7.023 4.067 -6.298) 10.273 4.799 ( 7.481 1.693 4.041) 8.669 5.572 ( 6.626 -1.576 0.698) 6.847======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.953 ( 0.000 21.174 3.573) 21.473 0.965 ( -0.000 16.461 12.049) 20.399 1.458 ( -0.000 27.824 11.977) 30.292 1.928 ( 0.000 -1.392 -6.723) 6.866 2.187 ( 0.000 6.154 -3.571) 7.115 3.044 ( 0.000 -6.340 -3.279) 7.138 3.652 ( 0.000 1.107 -1.220) 1.648 3.875 ( -0.000 -0.373 1.567) 1.611 4.017 ( 0.000 6.662 -0.954) 6.730 4.635 ( 0.000 -1.932 -10.715) 10.888 4.960 ( -0.000 -7.095 4.833) 8.584 5.644 ( 0.000 -3.772 -3.763) 5.328======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( -4.273 17.681 13.028) 22.374 1.194 ( 1.633 20.185 -1.324) 20.295 1.819 ( 5.605 14.733 -3.394) 16.124 2.007 ( 11.753 8.755 3.597) 15.091 2.224 ( -0.598 5.079 -3.758) 6.347 2.981 ( 0.900 -5.928 -0.757) 6.044 3.675 ( 1.364 1.277 -0.603) 1.963 3.865 ( -0.971 0.456 0.694) 1.278 4.112 ( 3.210 4.735 -0.263) 5.727 4.599 ( 2.291 -4.625 -5.925) 7.857 4.877 ( -1.985 -9.108 4.548) 10.372 5.524 ( -7.433 -3.251 -5.540) 9.824======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( -1.369 16.571 10.096) 19.453 1.409 ( 3.127 17.262 -4.598) 18.135 1.963 ( 6.504 5.239 -7.469) 11.204 2.231 ( -0.299 5.067 -5.858) 7.751 2.430 ( 13.837 13.179 7.434) 20.504 2.964 ( 3.253 -4.595 3.382) 6.567 3.716 ( 1.935 1.252 0.560) 2.371 3.863 ( -0.508 1.615 -0.005) 1.693 4.184 ( 1.472 1.193 -0.989) 2.137 4.582 ( 2.279 -4.818 -1.655) 5.581 4.747 ( -4.346 -7.592 3.218) 9.321 5.319 ( -9.433 -3.669 -6.812) 12.200======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 1.730 12.991 4.521) 13.863 1.627 ( 4.695 15.427 -3.816) 16.571 2.118 ( 6.217 5.907 -3.280) 9.181 2.262 ( 0.563 4.485 -2.869) 5.354 2.715 ( 7.353 2.800 0.435) 7.880 3.043 ( 6.215 0.665 6.367) 8.922 3.769 ( 2.478 1.120 1.732) 3.224 3.876 ( -0.599 2.645 -0.079) 2.713 4.179 ( -0.646 -1.945 -1.967) 2.841 4.552 ( -2.766 -3.339 2.303) 4.909 4.620 ( -3.590 -1.751 -1.388) 4.228 5.119 ( -5.321 -5.773 -5.415) 9.537======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( 3.743 10.093 1.493) 10.868 1.841 ( 4.389 13.479 -3.338) 14.563 2.233 ( 0.928 3.988 1.309) 4.299 2.342 ( 4.141 5.127 -1.372) 6.732 2.784 ( 2.017 -2.369 -0.777) 3.207 3.153 ( 2.586 0.509 3.018) 4.007 3.832 ( 2.632 0.894 2.532) 3.760 3.890 ( -1.066 2.982 -0.144) 3.170 4.134 ( -0.595 -2.459 -1.999) 3.224 4.427 ( -9.233 1.799 0.645) 9.428 4.611 ( 2.416 0.772 -1.694) 3.050 4.995 ( -0.588 -7.538 -2.309) 7.906======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( 3.225 7.279 -0.517) 7.978 2.015 ( 2.905 10.731 -3.295) 11.595 2.251 ( -2.610 1.415 4.078) 5.044 2.458 ( 3.758 3.115 -0.662) 4.926 2.745 ( -4.223 -0.128 -3.693) 5.611 3.180 ( 0.796 -0.312 3.635) 3.734 3.864 ( -0.749 0.007 1.430) 1.614 3.909 ( 0.804 2.020 -0.239) 2.187 4.119 ( 1.472 -0.690 -0.928) 1.872 4.309 ( -7.901 4.455 -0.139) 9.072 4.689 ( 5.557 0.524 -0.417) 5.597 4.914 ( -0.238 -7.004 -0.994) 7.078======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 0.540 3.195 -1.762) 3.688 2.124 ( 0.188 6.712 -1.682) 6.922 2.202 ( -4.662 -0.360 4.143) 6.247 2.505 ( 0.472 -1.336 -0.524) 1.511 2.650 ( -6.151 5.227 -7.306) 10.888 3.220 ( 0.668 2.134 6.447) 6.823 3.837 ( -1.517 -1.161 -0.634) 2.012 3.935 ( 0.190 0.937 0.257) 0.990 4.161 ( 3.108 -0.517 1.230) 3.382 4.246 ( -5.430 7.113 -0.748) 8.979 4.761 ( 2.179 -4.410 0.121) 4.920 4.867 ( 3.411 -2.797 -0.529) 4.443======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( -3.356 -2.404 0.452) 4.153 2.089 ( -6.873 -0.813 1.683) 7.123 2.177 ( -2.182 4.957 1.449) 5.606 2.452 ( -2.404 -3.668 -1.269) 4.566 2.623 ( -2.217 7.736 -7.961) 11.320 3.245 ( -3.902 2.099 5.297) 6.906 3.790 ( -1.356 -2.249 -1.309) 2.934 3.936 ( -1.213 0.868 0.584) 1.601 4.174 ( -0.131 -0.892 0.864) 1.248 4.293 ( 0.400 9.085 -0.471) 9.106 4.701 ( -1.839 -3.778 0.003) 4.202 4.959 ( 8.892 -3.475 0.812) 9.581======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( -8.506 -6.440 4.533) 11.592 1.944 ( -8.930 -0.733 -0.133) 8.961 2.182 ( -4.206 5.491 1.136) 7.010 2.371 ( -1.906 -3.705 -0.005) 4.167 2.666 ( 2.039 5.749 -7.013) 9.295 3.113 ( -13.739 -1.111 1.623) 13.879 3.749 ( -0.495 -2.010 -0.520) 2.134 3.917 ( -2.136 0.961 0.816) 2.481 4.183 ( 1.863 -0.246 -0.013) 1.879 4.387 ( 0.358 8.347 -1.190) 8.439 4.655 ( -0.307 -1.513 0.313) 1.576 5.096 ( 10.997 -4.031 1.629) 11.826======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( -14.037 -6.853 5.283) 16.489 1.761 ( -11.803 -1.227 -0.696) 11.887 2.141 ( -5.473 4.132 -2.061) 7.161 2.321 ( -0.795 -3.006 1.391) 3.406 2.752 ( -3.775 0.138 -8.518) 9.318 2.791 ( -13.260 1.780 5.790) 14.578 3.726 ( -0.593 -0.909 0.035) 1.086 3.889 ( -2.067 0.397 0.665) 2.207 4.215 ( 1.417 -0.633 -0.480) 1.625 4.476 ( 2.789 6.225 -1.361) 6.955 4.660 ( 1.866 -0.619 0.231) 1.980 5.259 ( 11.205 -2.941 0.598) 11.600======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( -16.553 -3.991 4.246) 17.548 1.490 ( -17.094 -2.871 -3.034) 17.597 2.081 ( -4.076 1.855 -4.343) 6.238 2.268 ( -5.489 -0.121 1.555) 5.706 2.341 ( -23.616 -0.305 1.285) 23.653 2.913 ( 6.468 3.255 1.728) 7.444 3.709 ( -1.136 0.526 0.164) 1.263 3.860 ( -1.301 -0.628 0.233) 1.464 4.198 ( -2.798 0.288 -0.454) 2.849 4.609 ( 7.453 2.629 -1.081) 7.977 4.706 ( 4.343 -1.028 1.334) 4.658 5.409 ( 9.185 -2.465 -2.714) 9.890======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( -0.000 15.966 7.098) 17.473 1.375 ( 0.000 19.289 1.682) 19.362 1.866 ( 0.000 -0.751 -5.444) 5.495 2.052 ( 0.000 25.926 3.154) 26.117 2.259 ( 0.000 3.896 -4.565) 6.002 2.915 ( -0.000 -5.805 2.608) 6.364 3.677 ( 0.000 2.171 -1.132) 2.448 3.878 ( -0.000 -0.117 1.268) 1.273 4.133 ( 0.000 5.231 -1.162) 5.359 4.504 ( 0.000 -6.932 -3.156) 7.617 4.816 ( -0.000 -8.558 2.740) 8.986 5.538 ( 0.000 -4.369 -5.178) 6.775======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( -4.218 15.051 1.733) 15.727 1.524 ( 0.985 15.500 3.115) 15.841 1.896 ( 4.822 4.153 -4.822) 7.984 2.239 ( 1.279 4.036 -12.034) 12.757 2.414 ( 7.035 16.540 7.126) 19.335 2.893 ( 1.730 -3.234 6.856) 7.775 3.708 ( 1.094 2.307 -0.182) 2.559 3.880 ( -0.053 0.692 0.464) 0.835 4.182 ( 0.582 2.610 -1.516) 3.074 4.454 ( 3.697 -8.036 -0.099) 8.846 4.730 ( -1.665 -6.304 0.703) 6.558 5.413 ( -6.926 -4.739 -5.321) 9.937======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( -1.443 9.907 -1.081) 10.070 1.723 ( 1.571 16.280 5.324) 17.200 2.056 ( 7.486 6.932 -4.140) 11.011 2.265 ( 2.047 3.088 -7.472) 8.340 2.627 ( 4.496 1.379 1.163) 4.845 2.990 ( 5.268 5.753 7.520) 10.835 3.755 ( 1.589 2.018 1.742) 3.103 3.898 ( 0.611 1.708 -0.233) 1.829 4.176 ( -1.395 -0.909 -1.973) 2.582 4.469 ( 5.507 -6.139 1.081) 8.317 4.649 ( -2.257 -2.683 -0.773) 3.590 5.196 ( -9.972 -5.095 -4.704) 12.146======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 1.803 9.588 1.619) 9.890 1.915 ( 1.712 13.501 2.840) 13.903 2.230 ( 5.434 6.047 -2.149) 8.409 2.331 ( 2.793 4.283 -2.202) 5.567 2.674 ( 5.208 -4.890 -0.651) 7.174 3.140 ( 2.222 5.076 1.498) 5.740 3.811 ( 1.961 1.458 3.133) 3.973 3.928 ( 0.361 2.332 -0.136) 2.364 4.123 ( -1.859 -2.008 -2.039) 3.412 4.504 ( 2.567 -2.713 0.763) 3.812 4.603 ( -1.517 1.006 -1.772) 2.541 4.973 ( -7.118 -6.208 -2.568) 9.788======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( 1.477 9.195 2.921) 9.760 2.064 ( 2.131 9.354 -0.095) 9.594 2.313 ( -1.105 2.652 2.125) 3.574 2.419 ( 3.430 2.093 0.195) 4.023 2.742 ( 5.368 1.035 -3.460) 6.469 3.170 ( -0.669 0.798 -1.526) 1.848 3.862 ( 1.476 0.226 2.483) 2.897 3.943 ( -1.490 2.127 0.172) 2.603 4.081 ( 0.380 -1.588 -1.343) 2.115 4.481 ( -5.378 3.256 -0.420) 6.300 4.618 ( 2.736 0.299 -1.049) 2.945 4.838 ( -0.671 -6.827 -0.338) 6.868======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( -1.529 6.535 1.769) 6.941 2.171 ( 1.313 5.950 -0.906) 6.160 2.279 ( -3.847 -0.855 3.335) 5.163 2.464 ( 1.621 -2.156 -0.378) 2.724 2.803 ( -3.779 9.183 -6.161) 11.686 3.197 ( 4.467 -0.018 2.014) 4.900 3.862 ( -2.029 -0.446 0.189) 2.086 3.936 ( -0.010 0.319 0.707) 0.776 4.098 ( 2.863 -1.405 0.386) 3.213 4.419 ( -6.289 6.532 -0.815) 9.104 4.667 ( 3.682 -2.631 -0.041) 4.526 4.792 ( 1.484 -4.544 -0.130) 4.782======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -5.135 1.524 0.848) 5.424 2.186 ( -4.355 0.156 0.822) 4.435 2.243 ( -0.597 2.790 1.641) 3.292 2.438 ( -0.679 -3.543 -1.111) 3.775 2.774 ( -7.102 9.109 -5.744) 12.900 3.295 ( 2.829 1.644 3.363) 4.692 3.805 ( -2.925 -1.139 -0.680) 3.212 3.949 ( 0.648 0.129 0.711) 0.971 4.130 ( 2.463 -2.636 0.941) 3.728 4.413 ( -2.859 9.147 -0.880) 9.623 4.675 ( 0.891 -3.412 0.118) 3.529 4.798 ( 4.540 -4.402 0.020) 6.324======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( -7.293 -1.979 1.629) 7.730 2.083 ( -7.436 -0.241 0.119) 7.441 2.275 ( -0.266 3.178 2.424) 4.006 2.372 ( -2.834 -3.010 -1.074) 4.272 2.728 ( -4.380 5.749 -4.187) 8.353 3.290 ( -5.935 -0.060 0.943) 6.010 3.753 ( -1.729 -0.679 0.468) 1.915 3.955 ( -0.854 0.448 0.395) 1.042 4.141 ( 1.826 -1.806 -0.099) 2.570 4.471 ( -1.006 7.351 -0.804) 7.463 4.649 ( -0.576 -1.479 0.015) 1.587 4.870 ( 9.511 -4.596 0.340) 10.569======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( -10.709 -2.354 1.639) 11.086 1.931 ( -9.749 -0.193 -1.580) 9.878 2.271 ( -5.914 -0.552 -0.729) 5.984 2.304 ( 0.086 0.226 1.861) 1.877 2.731 ( 0.786 3.161 -1.759) 3.701 3.103 ( -14.493 -0.472 0.749) 14.520 3.736 ( -0.746 0.518 1.514) 1.766 3.928 ( -2.146 -0.491 0.059) 2.202 4.169 ( 2.641 -0.184 -0.874) 2.788 4.497 ( -0.333 1.082 -0.036) 1.133 4.635 ( 0.201 -0.371 -0.512) 0.664 5.031 ( 11.854 -1.285 -1.068) 11.971======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( -14.368 0.518 0.164) 14.378 1.718 ( -13.703 -1.457 -4.805) 14.594 2.160 ( -4.940 -1.110 -0.580) 5.096 2.293 ( -1.932 0.087 -1.366) 2.368 2.723 ( -11.070 1.407 -1.757) 11.296 2.908 ( -4.115 4.127 8.271) 10.118 3.739 ( -0.794 1.692 1.368) 2.316 3.879 ( -2.111 -1.444 -0.356) 2.583 4.209 ( 1.633 0.503 -1.090) 2.027 4.509 ( 3.750 -3.796 2.205) 5.774 4.646 ( 1.703 -0.243 -1.223) 2.111 5.213 ( 10.234 -0.047 -4.289) 11.097======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 0.000 9.221 -4.621) 10.314 1.706 ( 0.000 13.149 -3.818) 13.692 1.880 ( -0.000 4.942 4.243) 6.514 2.219 ( 0.000 2.715 -11.792) 12.101 2.536 ( -0.000 12.107 5.657) 13.364 2.898 ( -0.000 3.402 10.335) 10.880 3.724 ( 0.000 2.997 -0.733) 3.085 3.885 ( -0.000 0.242 0.608) 0.654 4.199 ( 0.000 2.112 -2.061) 2.951 4.332 ( -0.000 -9.181 1.859) 9.367 4.693 ( -0.000 -3.805 -0.996) 3.933 5.405 ( 0.000 -5.942 -4.943) 7.729======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( -1.234 4.697 -7.267) 8.740 1.866 ( 5.583 11.619 -0.918) 12.924 1.983 ( 2.707 5.554 0.910) 6.245 2.239 ( 1.547 4.560 -6.283) 7.916 2.606 ( -0.094 -1.466 5.224) 5.427 3.036 ( 2.380 12.140 7.953) 14.707 3.762 ( 0.989 2.884 0.501) 3.090 3.895 ( 0.660 0.572 0.029) 0.874 4.186 ( -1.057 -1.602 -1.634) 2.521 4.307 ( 4.930 -5.929 1.452) 7.847 4.654 ( -1.067 -0.938 -1.618) 2.153 5.273 ( -6.142 -6.358 -4.344) 9.850======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 3.605 5.574 -2.358) 7.045 2.058 ( -1.022 9.014 4.773) 10.251 2.115 ( 12.219 5.213 -6.419) 14.754 2.317 ( 2.562 5.371 -2.018) 6.284 2.574 ( 0.065 -5.858 4.343) 7.292 3.195 ( 0.416 9.363 1.835) 9.551 3.812 ( 1.177 2.094 2.733) 3.639 3.920 ( 1.621 0.561 -0.533) 1.797 4.143 ( -1.886 -0.573 -1.742) 2.631 4.363 ( 7.063 -4.941 0.482) 8.633 4.634 ( -1.174 1.691 -1.309) 2.440 5.063 ( -9.132 -5.933 -2.941) 11.281======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( 5.297 6.828 1.564) 8.782 2.127 ( 0.777 5.085 0.570) 5.175 2.339 ( 4.459 6.521 0.254) 7.904 2.390 ( 1.497 0.579 1.087) 1.938 2.582 ( 8.554 -2.219 -0.360) 8.845 3.230 ( -3.631 4.378 -2.975) 6.419 3.851 ( 0.810 0.325 2.885) 3.014 3.956 ( 1.806 0.578 -0.241) 1.912 4.098 ( -3.047 0.923 -1.573) 3.551 4.447 ( 7.096 -3.262 0.023) 7.810 4.633 ( -1.553 2.608 -0.961) 3.184 4.854 ( -7.367 -4.533 -0.863) 8.693======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 1.578 5.885 2.456) 6.569 2.194 ( 1.505 4.126 -0.144) 4.394 2.337 ( -3.257 -2.333 2.005) 4.480 2.422 ( 0.887 -0.701 0.286) 1.166 2.818 ( 12.294 6.958 -1.704) 14.228 3.170 ( -4.018 0.858 -3.120) 5.159 3.868 ( 0.802 -0.524 1.188) 1.526 3.967 ( -1.908 -0.051 0.424) 1.955 4.061 ( -0.528 0.047 -0.532) 0.751 4.526 ( 2.928 0.509 -0.190) 2.978 4.607 ( -2.003 0.194 -0.916) 2.211 4.747 ( -1.349 -2.430 0.511) 2.826======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( -4.652 1.854 1.544) 5.241 2.243 ( -0.816 1.616 0.084) 1.813 2.271 ( -1.288 -0.545 0.769) 1.596 2.408 ( 0.007 -2.113 -0.207) 2.123 2.978 ( -6.220 9.396 -3.216) 11.718 3.185 ( 9.480 -2.312 0.692) 9.782 3.863 ( -3.196 0.890 -0.554) 3.364 3.923 ( 0.582 -2.269 1.496) 2.780 4.073 ( 1.737 -0.879 -0.007) 1.947 4.539 ( -2.873 5.394 -0.821) 6.167 4.613 ( 2.631 -2.088 0.186) 3.364 4.720 ( 0.625 -3.005 0.260) 3.080======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( -7.311 -0.810 1.069) 7.433 2.188 ( -4.850 -0.070 0.191) 4.854 2.279 ( 0.627 -1.035 0.631) 1.365 2.397 ( -0.771 0.882 0.433) 1.249 2.883 ( -8.644 2.938 -0.891) 9.173 3.299 ( 3.514 -1.913 -1.979) 4.464 3.802 ( -3.450 0.728 1.269) 3.747 3.946 ( 1.909 -0.682 0.323) 2.052 4.094 ( 1.768 -0.452 -0.609) 1.923 4.542 ( -1.854 0.942 -0.314) 2.103 4.631 ( 1.618 -0.534 -0.194) 1.715 4.728 ( 3.386 -0.142 0.224) 3.397======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( -8.322 0.045 0.185) 8.324 2.080 ( -7.739 -0.067 -0.481) 7.754 2.261 ( -0.196 -4.167 0.915) 4.271 2.392 ( -2.928 3.578 1.181) 4.772 2.779 ( -4.154 -0.030 1.183) 4.319 3.247 ( -4.652 -2.961 -3.324) 6.439 3.777 ( -1.832 1.688 2.794) 3.744 3.947 ( -0.889 -1.169 -0.410) 1.525 4.128 ( 2.040 1.068 -1.442) 2.717 4.482 ( -0.838 -6.670 0.331) 6.731 4.644 ( -0.721 1.449 -0.568) 1.715 4.858 ( 8.648 3.807 -0.927) 9.494======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -10.699 2.803 -2.407) 11.319 1.911 ( -11.295 -0.479 -3.642) 11.877 2.197 ( -2.336 -4.349 2.242) 5.422 2.362 ( -4.470 2.691 -0.852) 5.287 2.765 ( 1.253 -0.225 3.279) 3.517 3.109 ( -8.136 0.349 1.328) 8.251 3.781 ( -1.061 2.269 2.684) 3.671 3.900 ( -2.295 -1.578 -0.876) 2.919 4.169 ( 2.263 0.484 -1.532) 2.775 4.409 ( 1.471 -8.673 1.170) 8.875 4.640 ( -0.917 1.434 -1.291) 2.137 5.049 ( 9.208 3.354 -3.205) 10.311======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 0.000 2.171 -7.100) 7.424 1.787 ( 0.000 0.630 -11.933) 11.950 2.084 ( -0.000 9.111 6.165) 11.001 2.276 ( 0.000 7.123 -1.479) 7.275 2.597 ( -0.000 -4.999 6.549) 8.239 3.178 ( -0.000 14.096 6.501) 15.523 3.782 ( 0.000 3.028 -0.171) 3.033 3.894 ( 0.000 0.377 -0.094) 0.389 4.140 ( -0.000 -6.752 1.373) 6.890 4.247 ( 0.000 0.012 -1.185) 1.185 4.661 ( 0.000 1.469 -1.706) 2.251 5.243 ( 0.000 -7.565 -3.943) 8.530======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 1.934 2.777 -3.617) 4.954 1.860 ( 10.891 -2.043 -10.385) 15.187 2.190 ( 0.803 8.593 4.852) 9.901 2.348 ( 0.386 5.758 0.521) 5.795 2.549 ( -1.124 -5.442 5.257) 7.650 3.311 ( -1.168 10.315 2.612) 10.705 3.823 ( 1.154 2.580 1.162) 3.055 3.899 ( 0.472 -0.178 -0.439) 0.669 4.116 ( 3.140 -3.691 0.516) 4.874 4.251 ( 1.121 -0.779 -1.153) 1.787 4.675 ( -0.901 3.853 -1.060) 4.096 5.111 ( -4.886 -7.652 -2.967) 9.552======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 6.824 4.194 0.548) 8.029 2.018 ( 11.920 -1.790 -6.472) 13.681 2.330 ( 4.921 7.725 2.628) 9.529 2.388 ( -0.283 0.618 2.322) 2.420 2.500 ( -0.483 -2.788 2.437) 3.734 3.344 ( -4.152 5.447 -1.538) 7.019 3.859 ( -0.224 0.542 2.578) 2.644 3.915 ( 2.501 -0.076 -1.059) 2.717 4.150 ( 0.130 2.146 -1.252) 2.488 4.278 ( 5.993 -3.762 0.077) 7.076 4.694 ( -1.915 4.587 -0.260) 4.977 4.929 ( -6.668 -6.044 -1.498) 9.124======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 6.734 2.345 0.562) 7.153 2.167 ( 6.294 1.530 -1.530) 6.655 2.349 ( -2.045 -3.377 0.912) 4.052 2.444 ( -1.674 1.791 0.792) 2.577 2.602 ( 14.508 1.998 1.685) 14.742 3.286 ( -6.205 3.081 -2.299) 7.299 3.855 ( 0.036 -0.991 0.890) 1.332 3.959 ( 1.987 0.125 -0.262) 2.009 4.126 ( -4.448 1.855 -0.807) 4.886 4.387 ( 9.043 -2.186 0.338) 9.310 4.679 ( -3.909 1.807 -0.322) 4.318 4.787 ( -4.294 -1.849 -0.062) 4.676======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( 1.814 -1.613 -0.650) 2.513 2.249 ( 2.036 0.561 -0.202) 2.121 2.283 ( -2.008 -1.068 -0.055) 2.275 2.412 ( -1.652 -0.390 -0.266) 1.718 2.907 ( 16.799 0.266 1.329) 16.853 3.190 ( -7.790 2.541 0.081) 8.195 3.859 ( 1.604 -0.750 -0.113) 1.775 3.957 ( -2.864 -0.330 -0.632) 2.951 4.067 ( -1.956 0.339 0.238) 1.999 4.519 ( 6.616 0.105 0.413) 6.630 4.622 ( -3.095 0.592 -0.236) 3.160 4.723 ( -2.616 -0.465 -0.008) 2.657======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( -3.604 -3.705 -0.692) 5.215 2.243 ( -1.157 -1.339 0.076) 1.772 2.259 ( -1.013 -1.279 -0.497) 1.705 2.414 ( 0.736 2.375 0.230) 2.497 3.027 ( -4.862 -6.016 1.799) 7.942 3.168 ( 6.094 2.423 -0.822) 6.609 3.874 ( -2.611 -1.540 0.515) 3.075 3.901 ( 1.103 1.899 -0.697) 2.304 4.070 ( 1.095 0.712 -0.190) 1.320 4.550 ( -2.795 -5.030 0.339) 5.764 4.612 ( 2.065 2.487 0.024) 3.233 4.715 ( 1.122 2.811 -0.188) 3.032======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( -4.916 -1.231 -0.051) 5.068 2.180 ( -4.406 -0.990 0.200) 4.520 2.227 ( -0.208 -3.486 -0.079) 3.493 2.457 ( -0.055 3.454 0.884) 3.566 2.858 ( -6.838 -5.847 2.865) 9.442 3.220 ( 1.144 -3.154 -3.994) 5.216 3.832 ( -1.815 0.764 1.861) 2.709 3.936 ( 0.824 -0.097 -0.643) 1.049 4.110 ( 1.740 2.152 -1.139) 2.992 4.425 ( -2.803 -8.929 0.363) 9.366 4.672 ( 0.874 3.688 -0.201) 3.796 4.796 ( 4.007 4.494 -0.172) 6.024======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( -6.819 2.793 -2.396) 7.748 2.065 ( -8.070 -0.982 -1.923) 8.353 2.184 ( -0.537 -4.294 2.586) 5.042 2.463 ( -3.467 2.682 0.104) 4.385 2.745 ( -0.569 -4.439 4.137) 6.094 3.164 ( -1.500 -3.030 -2.452) 4.177 3.827 ( -0.960 1.246 2.385) 2.857 3.921 ( -1.566 -0.637 -0.903) 1.916 4.147 ( 0.717 1.276 -1.854) 2.362 4.304 ( -0.141 -9.510 0.589) 9.529 4.697 ( -2.380 4.114 -0.401) 4.770 4.937 ( 7.354 3.565 -1.405) 8.292======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 0.000 1.515 -2.840) 3.219 1.700 ( 0.000 -1.433 -6.472) 6.628 2.255 ( -0.000 4.926 2.317) 5.444 2.396 ( -0.000 2.765 1.878) 3.343 2.527 ( -0.000 -3.308 3.276) 4.656 3.423 ( 0.000 7.406 1.292) 7.518 3.834 ( 0.000 1.974 0.171) 1.981 3.898 ( 0.000 0.248 -0.354) 0.432 4.039 ( -0.000 -3.958 1.475) 4.224 4.248 ( 0.000 0.808 -1.603) 1.795 4.733 ( 0.000 6.397 -0.351) 6.407 5.061 ( -0.000 -8.695 -2.409) 9.023======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 4.611 1.870 -0.144) 4.978 1.785 ( 9.915 0.273 -2.072) 10.132 2.316 ( 2.608 2.203 0.230) 3.422 2.403 ( -0.429 -1.536 2.874) 3.287 2.509 ( -1.003 -0.059 0.856) 1.320 3.449 ( -2.924 3.194 -1.503) 4.583 3.870 ( 2.178 0.968 0.130) 2.387 3.883 ( -1.343 -0.519 0.260) 1.464 4.071 ( 6.100 -1.197 0.625) 6.248 4.243 ( -1.011 0.514 -1.103) 1.582 4.789 ( -1.943 7.491 0.401) 7.750 4.940 ( -3.159 -7.967 -1.326) 8.673======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 7.246 -0.811 -1.053) 7.367 2.016 ( 12.315 3.712 2.575) 13.118 2.349 ( -0.328 -1.853 -2.507) 3.135 2.426 ( 6.118 -2.219 2.984) 7.159 2.487 ( -1.483 0.528 0.369) 1.617 3.396 ( -4.365 0.854 -1.735) 4.774 3.850 ( -0.796 -1.452 -0.991) 1.930 3.922 ( 2.390 0.577 0.694) 2.555 4.205 ( 2.927 3.697 -0.531) 4.745 4.213 ( 3.447 -2.979 0.488) 4.582 4.774 ( -5.115 -0.842 -0.384) 5.198 4.838 ( -3.136 1.489 0.610) 3.525======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( 6.199 -3.707 -1.859) 7.458 2.194 ( 3.698 -0.658 0.903) 3.863 2.312 ( -0.753 1.091 -2.812) 3.108 2.425 ( -0.993 -2.987 -0.654) 3.215 2.628 ( 14.337 -1.049 3.918) 14.900 3.320 ( -4.862 0.108 1.203) 5.010 3.829 ( 0.492 -1.193 -1.768) 2.189 3.961 ( 1.320 0.141 -0.090) 1.331 4.137 ( -4.655 -0.676 0.395) 4.720 4.390 ( 9.249 2.256 0.591) 9.539 4.680 ( -3.409 -1.374 -0.148) 3.678 4.792 ( -5.214 2.123 0.378) 5.642======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 1.720 -6.735 -2.622) 7.429 2.193 ( 1.942 -4.406 -0.232) 4.820 2.301 ( -2.882 0.695 -1.722) 3.429 2.410 ( 1.773 0.500 -0.868) 2.036 2.854 ( 11.507 -5.043 2.075) 12.734 3.239 ( -5.059 -0.062 4.056) 6.484 3.836 ( 2.008 -0.767 -2.154) 3.043 3.956 ( -2.111 0.345 -0.688) 2.246 4.077 ( -1.361 0.549 1.119) 1.845 4.534 ( 2.966 -0.475 0.550) 3.054 4.623 ( -2.077 0.352 0.738) 2.232 4.736 ( -1.627 2.610 -0.591) 3.132======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 0.757 -5.372 -0.468) 5.445 2.181 ( 1.441 -4.648 0.071) 4.867 2.232 ( -3.614 -1.185 -1.391) 4.050 2.463 ( 2.566 1.852 -0.515) 3.206 2.870 ( -1.504 -8.420 0.430) 8.564 3.192 ( -1.531 -0.986 2.043) 2.737 3.848 ( 0.457 -0.640 -1.509) 1.702 3.931 ( -0.436 0.458 0.271) 0.688 4.101 ( 1.491 2.071 0.735) 2.655 4.427 ( -6.295 -6.749 0.034) 9.229 4.670 ( 3.043 2.618 0.267) 4.023 4.794 ( 1.879 5.339 0.139) 5.662======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( -0.240 -0.416 -0.000) 0.480 2.139 ( -2.282 -3.952 -0.000) 4.564 2.159 ( -1.572 -2.723 -0.000) 3.144 2.510 ( 0.579 1.002 -0.000) 1.157 2.731 ( -3.562 -6.170 -0.000) 7.124 3.147 ( -1.626 -2.816 -0.000) 3.251 3.845 ( 0.030 0.052 -0.000) 0.060 3.931 ( -0.231 -0.399 -0.000) 0.461 4.148 ( 1.047 1.813 -0.000) 2.093 4.254 ( -4.521 -7.830 -0.000) 9.042 4.760 ( 2.445 4.234 -0.000) 4.889 4.872 ( 2.158 3.737 0.000) 4.315======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -0.000 3.329 3.067) 4.527 1.709 ( -0.000 1.500 1.671) 2.246 2.295 ( 0.000 -1.239 -1.489) 1.937 2.393 ( -0.000 -2.008 1.204) 2.341 2.520 ( -0.000 -0.303 0.262) 0.400 3.479 ( 0.000 -0.847 -3.702) 3.798 3.853 ( 0.000 -0.145 -0.202) 0.249 3.902 ( -0.000 0.237 0.236) 0.335 4.001 ( -0.000 -0.595 0.969) 1.137 4.257 ( 0.000 0.786 -0.725) 1.069 4.877 ( -0.000 -6.535 -0.830) 6.587 4.900 ( 0.000 7.671 1.278) 7.777======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 2.527 0.328 1.978) 3.225 1.880 ( 10.315 5.898 7.037) 13.810 2.278 ( 2.027 -4.866 -3.788) 6.491 2.376 ( -0.012 -1.529 0.339) 1.566 2.504 ( -0.828 -1.320 -0.026) 1.558 3.425 ( -1.505 -3.888 -4.143) 5.877 3.843 ( -0.575 -1.518 -1.481) 2.197 3.903 ( 0.653 0.395 1.234) 1.451 4.070 ( 6.591 0.670 0.549) 6.648 4.253 ( -1.164 0.829 -0.116) 1.434 4.784 ( -1.947 -6.408 -0.096) 6.699 4.967 ( -3.482 8.898 1.423) 9.661======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 4.382 -2.330 0.804) 5.028 2.125 ( 5.584 1.688 3.268) 6.687 2.251 ( 5.729 -5.211 -4.672) 9.045 2.376 ( 1.423 -2.225 1.802) 3.197 2.492 ( 2.148 -0.182 1.135) 2.436 3.347 ( -0.942 -5.358 -1.405) 5.618 3.808 ( -0.524 -1.519 -2.511) 2.981 3.933 ( 1.825 -0.035 0.757) 1.976 4.169 ( 0.970 -1.618 0.864) 2.075 4.283 ( 5.490 4.091 0.421) 6.860 4.698 ( -2.035 -3.678 0.160) 4.206 4.955 ( -7.432 6.780 1.090) 10.119======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 2.724 -6.563 -1.989) 7.379 2.098 ( 1.791 -7.847 -1.690) 8.224 2.336 ( 2.658 1.508 -3.758) 4.844 2.352 ( -0.093 -3.898 0.987) 4.022 2.640 ( 10.695 0.538 4.933) 11.791 3.278 ( -0.824 -5.759 1.982) 6.146 3.791 ( 1.133 -0.997 -3.266) 3.597 3.959 ( 0.959 -0.621 -0.017) 1.143 4.126 ( -2.975 -0.187 1.361) 3.277 4.455 ( 7.138 2.960 0.835) 7.773 4.646 ( -1.112 -1.703 0.419) 2.077 4.868 ( -8.677 5.475 0.548) 10.274======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( 3.077 -8.156 -1.361) 8.823 2.074 ( 3.833 -7.606 0.737) 8.549 2.275 ( -3.436 -2.116 -1.920) 4.469 2.403 ( 4.408 -0.977 -1.199) 4.671 2.781 ( 4.270 -2.428 0.592) 4.947 3.216 ( -1.255 -4.444 3.318) 5.686 3.805 ( 2.329 -0.600 -3.362) 4.134 3.944 ( -0.956 -1.641 0.243) 1.915 4.113 ( -0.203 2.111 1.837) 2.806 4.484 ( -5.125 -3.737 -0.091) 6.344 4.638 ( 1.794 -0.054 0.925) 2.019 4.849 ( -0.993 8.488 0.885) 8.592======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( -0.000 1.375 5.507) 5.676 1.853 ( -0.000 6.428 9.157) 11.188 2.188 ( 0.000 -7.455 -4.913) 8.928 2.359 ( 0.000 -1.969 -1.001) 2.209 2.495 ( 0.000 -1.115 -0.768) 1.354 3.354 ( 0.000 -8.768 -5.963) 10.604 3.832 ( -0.000 -1.723 -0.043) 1.723 3.904 ( -0.000 -0.391 0.209) 0.443 4.024 ( 0.000 2.680 0.008) 2.680 4.268 ( -0.000 0.391 0.479) 0.619 4.741 ( -0.000 -5.233 0.499) 5.257 5.099 ( 0.000 9.673 1.540) 9.795======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( -1.183 -0.020 5.289) 5.420 2.039 ( 9.919 2.615 7.051) 12.448 2.083 ( -0.010 -10.826 -6.472) 12.613 2.344 ( 0.946 -1.698 1.941) 2.747 2.487 ( -0.223 1.477 -1.672) 2.242 3.241 ( 1.481 -11.974 -4.760) 12.971 3.801 ( -1.076 -1.936 -0.909) 2.394 3.906 ( 1.062 -0.529 0.244) 1.211 4.111 ( 4.831 3.581 0.185) 6.016 4.273 ( 0.382 0.836 0.918) 1.299 4.691 ( -1.105 -2.959 0.647) 3.224 5.152 ( -5.243 8.654 1.261) 10.197======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( -1.186 -5.688 -0.062) 5.811 1.957 ( 2.213 -12.121 -3.433) 12.791 2.203 ( 7.727 -3.584 0.816) 8.557 2.356 ( -0.360 -1.228 1.787) 2.198 2.554 ( 4.707 5.634 3.414) 8.097 3.154 ( 4.091 -12.846 -2.494) 13.710 3.765 ( -0.398 -1.407 -2.083) 2.544 3.925 ( 1.666 -1.039 -0.042) 1.964 4.171 ( -1.256 1.147 1.210) 2.087 4.368 ( 7.078 4.071 0.848) 8.209 4.652 ( -1.311 -1.093 0.621) 1.816 5.102 ( -9.661 7.300 1.048) 12.154======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 1.466 -10.717 -2.780) 11.168 1.914 ( 4.734 -9.898 1.816) 11.121 2.261 ( 3.034 -5.601 1.317) 6.504 2.324 ( 0.211 -0.856 -2.187) 2.358 2.710 ( 4.750 3.368 2.695) 6.416 3.113 ( 5.367 -10.753 -1.306) 12.089 3.755 ( 1.375 -0.600 -2.663) 3.057 3.928 ( 0.330 -2.244 -0.048) 2.269 4.158 ( -1.652 2.130 1.585) 3.127 4.497 ( 1.820 1.021 -0.048) 2.087 4.628 ( -0.713 -0.320 0.997) 1.266 5.017 ( -7.629 8.521 1.954) 11.603======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( -0.000 -0.698 8.054) 8.085 1.938 ( -0.000 -5.419 2.090) 5.808 1.955 ( 0.000 -10.740 -7.751) 13.245 2.340 ( -0.000 0.370 6.776) 6.786 2.510 ( 0.000 4.288 -2.379) 4.904 3.060 ( 0.000 -17.027 -5.729) 17.965 3.790 ( -0.000 -2.571 0.666) 2.656 3.889 ( 0.000 -0.874 -0.571) 1.043 4.120 ( 0.000 7.271 -0.413) 7.283 4.274 ( -0.000 -0.541 1.315) 1.422 4.683 ( -0.000 -1.072 0.655) 1.256 5.290 ( 0.000 8.635 0.915) 8.683======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( -6.359 -11.608 -5.898) 14.490 1.786 ( 1.989 -10.342 1.558) 10.647 2.021 ( 8.728 -4.565 1.118) 9.913 2.363 ( -0.447 -0.785 4.543) 4.632 2.578 ( 1.710 6.456 4.113) 7.843 2.901 ( 4.543 -17.935 -5.960) 19.437 3.757 ( -0.868 -2.226 0.091) 2.391 3.888 ( 1.139 -0.988 -0.755) 1.686 4.208 ( -0.028 3.946 0.806) 4.028 4.307 ( 4.563 3.624 1.109) 5.932 4.673 ( -1.089 0.659 0.365) 1.324 5.320 ( -6.119 7.687 0.583) 9.843======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( -1.453 -15.645 -6.952) 17.182 1.742 ( 3.924 -11.028 3.166) 12.126 2.119 ( 6.799 -4.297 2.791) 8.514 2.329 ( -1.840 -2.182 -0.137) 2.857 2.681 ( 4.421 -2.801 6.952) 8.702 2.851 ( 7.737 -8.636 -7.254) 13.677 3.730 ( 0.127 -1.132 -0.844) 1.417 3.895 ( 1.008 -1.681 -0.516) 2.027 4.207 ( -1.300 0.852 1.215) 1.973 4.466 ( 4.894 5.785 0.704) 7.610 4.660 ( -1.853 1.476 0.261) 2.383 5.255 ( -9.243 7.371 1.480) 11.914======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 0.000 -16.617 -7.384) 18.184 1.688 ( 0.000 -16.055 -5.762) 17.057 1.916 ( -0.000 1.431 6.464) 6.621 2.364 ( -0.000 -3.022 1.959) 3.601 2.564 ( -0.000 -18.108 8.047) 19.815 2.727 ( 0.000 4.222 -5.566) 6.986 3.743 ( -0.000 -2.705 1.320) 3.010 3.867 ( 0.000 -0.665 -1.402) 1.552 4.232 ( -0.000 -1.793 1.314) 2.223 4.329 ( 0.000 10.319 1.507) 10.429 4.699 ( 0.000 2.375 -0.368) 2.403 5.450 ( 0.000 7.224 -0.248) 7.228======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( -4.146 -18.851 -9.926) 21.705 1.553 ( 4.317 -15.472 -1.719) 16.154 1.999 ( 4.984 -0.358 5.646) 7.539 2.307 ( 1.766 -10.164 -0.620) 10.335 2.411 ( 4.392 -19.411 1.522) 19.960 2.822 ( 0.909 9.369 1.352) 9.510 3.717 ( -0.288 -2.000 0.831) 2.185 3.864 ( 0.731 -0.731 -1.244) 1.617 4.208 ( 0.302 -3.213 1.182) 3.436 4.481 ( 3.136 10.861 2.697) 11.622 4.714 ( -1.467 3.513 -1.139) 3.974 5.462 ( -5.966 6.444 -0.188) 8.784======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( 0.000 -18.443 -9.325) 20.666 1.286 ( 0.000 -19.436 -8.491) 21.210 1.983 ( -0.000 1.111 6.324) 6.421 2.012 ( -0.000 -30.160 2.261) 30.245 2.320 ( -0.000 -5.343 -1.623) 5.584 2.921 ( -0.000 9.110 4.123) 9.999 3.702 ( -0.000 -2.181 1.508) 2.652 3.850 ( 0.000 0.002 -1.695) 1.695 4.160 ( -0.000 -5.596 1.527) 5.800 4.583 ( -0.000 11.790 5.400) 12.968 4.765 ( 0.000 5.216 -2.737) 5.890 5.572 ( 0.000 5.640 -1.747) 5.904======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.378 ( -0.000 -0.000 20.175) 20.175 0.378 ( -0.000 -0.000 20.175) 20.175 0.634 ( -0.000 -0.000 34.249) 34.249 2.007 ( 0.000 0.000 -4.310) 4.310 2.007 ( 0.000 0.000 -4.310) 4.310 3.639 ( 0.000 0.000 -13.993) 13.993 3.644 ( 0.000 0.000 -0.709) 0.709 3.644 ( 0.000 0.000 -0.709) 0.709 3.875 ( -0.000 -0.000 1.219) 1.219 3.875 ( -0.000 -0.000 1.219) 1.219 4.976 ( -0.000 -0.000 7.005) 7.005 5.861 ( 0.000 0.000 -0.973) 0.973======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.443 ( 6.481 3.742 13.569) 15.496 0.549 ( 5.687 3.283 19.177) 20.270 1.068 ( 22.974 13.264 19.797) 33.101 2.000 ( 2.110 1.218 -5.674) 6.175 2.030 ( 1.664 0.961 -3.288) 3.809 3.179 ( -6.190 -3.574 -3.813) 8.101 3.655 ( 0.778 0.449 -0.718) 1.150 3.866 ( -0.814 -0.470 1.206) 1.529 3.934 ( 5.484 3.166 0.862) 6.390 4.525 ( 20.680 11.939 -27.803) 36.650 5.020 ( 1.669 0.964 4.694) 5.075 5.706 ( -10.307 -5.951 0.573) 11.915======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 12.096 6.984 5.668) 15.074 0.777 ( 9.821 5.670 9.528) 14.812 1.631 ( 20.879 12.054 4.434) 24.513 2.062 ( 1.817 1.049 -2.050) 2.934 2.084 ( 7.111 4.105 -0.118) 8.211 3.090 ( -1.339 -0.773 -4.105) 4.386 3.677 ( 1.385 0.800 -1.024) 1.899 3.849 ( -0.907 -0.523 1.333) 1.695 4.078 ( 5.950 3.435 1.493) 7.031 4.678 ( 2.305 1.331 -10.213) 10.554 5.019 ( -4.299 -2.482 5.143) 7.148 5.463 ( -9.213 -5.319 -6.632) 12.537======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( 13.540 7.818 1.242) 15.684 1.038 ( 11.286 6.516 1.110) 13.080 1.961 ( 9.848 5.686 -10.554) 15.515 2.100 ( 1.814 1.047 -0.551) 2.166 2.383 ( 15.819 9.133 10.711) 21.175 3.081 ( 0.978 0.565 0.097) 1.133 3.714 ( 2.187 1.263 -1.409) 2.892 3.835 ( -0.557 -0.322 1.472) 1.606 4.187 ( 2.965 1.712 -0.076) 3.424 4.658 ( -1.752 -1.011 -3.021) 3.635 4.836 ( -12.634 -7.294 7.532) 16.418 5.282 ( -4.071 -2.351 -11.085) 12.041======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( 11.509 6.645 -4.030) 13.887 1.308 ( 12.705 7.335 -1.671) 14.765 2.126 ( 7.810 4.509 -6.957) 11.390 2.141 ( 1.588 0.917 1.232) 2.209 2.727 ( 9.972 5.758 5.222) 12.644 3.131 ( 2.555 1.475 5.559) 6.293 3.767 ( 2.750 1.588 -1.679) 3.592 3.834 ( 0.048 0.028 1.548) 1.549 4.210 ( -0.502 -0.290 -1.804) 1.894 4.522 ( -12.806 -7.393 4.997) 15.608 4.624 ( -2.106 -1.216 -2.656) 3.601 5.190 ( -2.108 -1.217 -6.703) 7.131======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 11.056 6.383 -6.225) 14.203 1.564 ( 10.250 5.918 -3.883) 12.457 2.177 ( 0.864 0.499 3.163) 3.316 2.287 ( 7.333 4.234 -2.710) 8.890 2.836 ( -0.851 -0.491 1.166) 1.525 3.201 ( 0.675 0.390 7.179) 7.221 3.819 ( 1.777 1.026 -1.272) 2.414 3.851 ( 1.329 0.767 1.066) 1.868 4.164 ( -2.886 -1.666 -1.003) 3.480 4.286 ( -7.247 -4.184 1.091) 8.439 4.625 ( 2.786 1.609 -1.884) 3.728 5.123 ( -2.902 -1.675 -2.963) 4.472======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( 7.146 4.126 -5.366) 9.843 1.758 ( 9.612 5.549 -7.017) 13.131 2.191 ( -0.906 -0.523 4.776) 4.889 2.425 ( 4.616 2.665 -0.936) 5.412 2.738 ( -6.310 -3.643 -1.934) 7.538 3.197 ( -2.248 -1.298 8.337) 8.732 3.840 ( 0.492 0.284 -0.013) 0.569 3.892 ( 1.618 0.934 -0.159) 1.875 4.097 ( -2.210 -1.276 -0.548) 2.611 4.196 ( -1.505 -0.869 0.339) 1.771 4.736 ( 6.742 3.893 -0.621) 7.810 5.029 ( -4.690 -2.708 -1.585) 5.642======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 4.404 2.543 -5.779) 7.698 1.922 ( 5.823 3.362 -5.453) 8.657 2.153 ( -4.013 -2.317 5.481) 7.178 2.469 ( -0.188 -0.108 -1.376) 1.393 2.597 ( -4.365 -2.520 -4.777) 6.944 3.182 ( -1.277 -0.737 9.565) 9.678 3.845 ( -0.101 -0.058 0.117) 0.165 3.914 ( 0.245 0.141 -0.185) 0.338 4.061 ( -0.767 -0.443 -1.564) 1.797 4.198 ( 1.160 0.670 1.841) 2.277 4.862 ( -1.545 -0.892 0.073) 1.785 4.945 ( 3.320 1.917 -0.787) 3.914======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 1.584 0.914 -3.589) 4.028 1.969 ( -1.510 -0.872 2.028) 2.675 2.036 ( -7.065 -4.079 3.643) 8.934 2.470 ( -0.410 -0.237 -0.220) 0.522 2.505 ( 0.023 0.013 -9.725) 9.725 3.166 ( -3.517 -2.031 6.212) 7.422 3.835 ( -0.781 -0.451 -0.211) 0.926 3.903 ( -1.105 -0.638 0.266) 1.303 4.055 ( 1.112 0.642 -1.943) 2.329 4.246 ( 2.089 1.206 1.961) 3.108 4.751 ( -4.669 -2.696 -0.103) 5.393 5.102 ( 7.336 4.235 1.357) 8.579======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( -11.806 -6.816 8.147) 15.882 1.863 ( -9.012 -5.203 8.301) 13.312 1.969 ( 1.398 0.807 -7.612) 7.781 2.410 ( -2.382 -1.375 1.855) 3.318 2.590 ( 7.249 4.185 -11.170) 13.958 2.998 ( -12.631 -7.293 0.418) 14.591 3.805 ( -1.650 -0.952 -1.004) 2.153 3.873 ( -1.404 -0.811 1.145) 1.985 4.129 ( 6.089 3.515 -1.387) 7.167 4.286 ( 0.826 0.477 0.065) 0.956 4.683 ( -1.255 -0.725 0.657) 1.592 5.272 ( 6.947 4.011 2.822) 8.504======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( -14.870 -8.585 8.254) 19.051 1.618 ( -14.219 -8.209 9.186) 18.813 1.978 ( 1.196 0.690 -6.862) 6.999 2.367 ( -2.777 -1.603 1.292) 3.457 2.593 ( -20.493 -11.831 1.607) 23.717 2.751 ( 8.011 4.625 -10.477) 13.976 3.755 ( -2.230 -1.288 -1.488) 2.975 3.853 ( -0.716 -0.413 1.659) 1.853 4.240 ( -0.948 -0.547 -0.539) 1.220 4.350 ( 9.335 5.389 -3.042) 11.200 4.692 ( 1.682 0.971 1.021) 2.194 5.434 ( 6.302 3.638 3.170) 7.937======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.576 ( -0.000 15.650 10.702) 18.959 0.707 ( -0.000 13.327 15.893) 20.741 1.046 ( -0.000 18.017 24.776) 30.634 1.939 ( 0.000 -1.751 -6.497) 6.729 2.056 ( 0.000 5.445 -4.225) 6.892 3.164 ( 0.000 -8.919 -4.373) 9.933 3.637 ( 0.000 0.154 -0.925) 0.937 3.886 ( -0.000 -0.163 1.461) 1.470 3.894 ( 0.000 4.944 -0.833) 5.013 4.435 ( 0.000 22.942 -23.966) 33.177 5.034 ( -0.000 0.570 5.737) 5.765 5.744 ( -0.000 -7.531 -0.830) 7.577======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.782 ( -0.242 19.609 5.534) 20.377 0.835 ( -1.316 12.842 16.334) 20.820 1.472 ( 15.357 17.207 9.948) 25.117 1.956 ( 6.076 -0.229 -3.632) 7.082 2.101 ( 0.175 5.950 -3.591) 6.952 3.067 ( -0.666 -4.033 -5.326) 6.714 3.656 ( 1.579 0.475 -0.721) 1.799 3.862 ( -1.249 -0.153 0.742) 1.461 4.019 ( 5.741 4.511 1.144) 7.391 4.585 ( 5.466 4.625 -14.113) 15.825 5.035 ( -0.758 -3.711 4.902) 6.195 5.578 ( -9.470 -5.109 -3.920) 11.452======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.984 ( 1.735 14.869 11.220) 18.708 1.042 ( 4.283 15.993 1.076) 16.591 1.816 ( 9.809 7.543 -8.846) 15.211 2.101 ( 2.692 4.992 -3.260) 6.542 2.247 ( 13.063 8.587 9.517) 18.302 3.037 ( 2.098 -2.192 -2.491) 3.926 3.691 ( 1.745 1.308 -0.662) 2.279 3.847 ( -0.660 -0.079 0.760) 1.010 4.146 ( 3.998 2.477 0.575) 4.738 4.631 ( 2.040 -1.202 -5.552) 6.035 4.942 ( -5.452 -8.731 6.770) 12.320 5.344 ( -9.855 -2.119 -9.018) 13.525======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( 5.164 11.079 6.105) 13.663 1.290 ( 6.185 16.106 -3.239) 17.554 1.999 ( 8.618 4.813 -7.042) 12.126 2.157 ( 0.776 4.631 -2.786) 5.460 2.611 ( 12.817 7.456 6.624) 16.240 3.079 ( 4.677 -1.060 2.339) 5.336 3.740 ( 2.230 2.055 -0.671) 3.106 3.843 ( -0.390 0.509 0.965) 1.158 4.197 ( 0.886 -0.292 -1.376) 1.662 4.612 ( -0.977 -2.010 -1.348) 2.610 4.716 ( -12.177 -7.569 4.468) 15.018 5.182 ( -3.255 -2.534 -7.818) 8.840======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( 7.075 8.709 0.855) 11.253 1.540 ( 6.134 14.536 -4.009) 16.279 2.160 ( 5.156 3.283 -0.598) 6.142 2.225 ( 3.419 5.671 -2.300) 7.010 2.810 ( 4.177 0.444 0.939) 4.304 3.174 ( 4.509 -0.435 5.285) 6.961 3.802 ( 2.355 2.618 -0.792) 3.610 3.849 ( -0.127 0.843 1.465) 1.695 4.175 ( -1.080 -1.976 -1.906) 2.951 4.437 ( -12.635 -2.864 2.019) 13.111 4.597 ( 0.720 -0.036 -2.162) 2.279 5.108 ( -0.426 -4.349 -3.209) 5.422======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 7.125 6.287 -1.994) 9.709 1.756 ( 4.637 12.921 -5.232) 14.691 2.223 ( -0.168 2.092 3.175) 3.806 2.369 ( 5.722 4.866 -1.314) 7.626 2.789 ( -3.851 -3.596 -1.985) 5.630 3.222 ( 0.706 -1.861 6.027) 6.348 3.849 ( -0.315 2.124 -0.249) 2.161 3.873 ( 1.881 1.052 0.845) 2.315 4.129 ( -1.480 -0.983 -1.123) 2.102 4.258 ( -7.078 0.633 0.229) 7.110 4.656 ( 5.363 2.174 -0.956) 5.865 5.039 ( -1.563 -5.371 -1.295) 5.742======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( 5.342 3.326 -4.036) 7.476 1.924 ( 2.954 11.212 -5.715) 12.926 2.221 ( -3.098 0.236 4.834) 5.746 2.471 ( 1.659 2.574 -0.941) 3.203 2.640 ( -6.200 -3.740 -4.909) 8.748 3.228 ( -0.616 -0.558 8.755) 8.795 3.849 ( -0.668 0.066 0.114) 0.681 3.912 ( 0.822 1.205 -0.188) 1.470 4.107 ( -2.084 3.143 -1.029) 3.909 4.196 ( -1.098 0.139 1.103) 1.563 4.794 ( 7.427 1.465 0.056) 7.571 4.940 ( -2.827 -4.858 -1.190) 5.745======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( 3.012 -0.171 -4.323) 5.272 2.038 ( 0.189 8.232 -2.869) 8.720 2.143 ( -6.688 -2.101 5.158) 8.703 2.477 ( -1.656 3.274 -4.782) 6.027 2.516 ( -2.995 -3.093 -3.256) 5.398 3.236 ( -2.399 0.562 8.282) 8.641 3.829 ( -0.581 -1.677 -0.378) 1.814 3.921 ( -0.756 0.670 -0.026) 1.011 4.102 ( -2.957 5.445 -1.491) 6.373 4.221 ( 2.528 0.369 1.977) 3.231 4.789 ( -3.692 -4.737 -0.304) 6.013 4.986 ( 8.652 0.913 0.133) 8.701======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.828 ( -0.576 -5.845 0.591) 5.903 1.982 ( -9.448 -3.299 2.948) 10.433 2.071 ( -4.651 6.197 1.459) 7.884 2.431 ( -2.271 -2.552 -1.836) 3.879 2.513 ( 3.072 5.763 -8.334) 10.588 3.155 ( -9.782 -2.246 4.242) 10.896 3.797 ( -0.384 -2.663 -0.505) 2.738 3.903 ( -1.791 0.474 0.588) 1.943 4.124 ( 0.158 5.948 -1.189) 6.068 4.276 ( 1.677 1.706 0.550) 2.455 4.697 ( -2.066 -2.551 0.067) 3.283 5.151 ( 9.638 -0.351 1.359) 9.739======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( -10.881 -11.720 8.944) 18.324 1.802 ( -9.426 -3.206 0.116) 9.957 2.032 ( -5.647 5.796 -1.892) 8.310 2.381 ( -1.029 -2.298 0.160) 2.523 2.639 ( 7.003 6.126 -8.222) 12.416 2.864 ( -19.699 -5.922 1.862) 20.654 3.760 ( -0.924 -2.324 -0.634) 2.580 3.880 ( -1.729 0.552 1.140) 2.143 4.214 ( 3.555 2.260 -0.548) 4.248 4.320 ( 1.171 5.835 -1.714) 6.193 4.673 ( 0.907 -0.608 0.350) 1.147 5.315 ( 9.661 -1.134 1.671) 9.870======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( 0.000 19.787 4.496) 20.292 1.068 ( -0.000 14.645 10.487) 18.013 1.578 ( -0.000 22.967 13.099) 26.440 1.867 ( 0.000 -1.233 -6.481) 6.597 2.147 ( 0.000 5.864 -4.517) 7.402 3.011 ( 0.000 -4.474 -3.975) 5.985 3.642 ( 0.000 1.027 -0.953) 1.401 3.888 ( -0.000 -0.390 1.317) 1.374 4.012 ( 0.000 6.500 0.007) 6.500 4.540 ( 0.000 2.410 -10.012) 10.298 5.006 ( -0.000 -7.193 5.214) 8.884 5.600 ( 0.000 -4.768 -5.643) 7.388======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( -0.166 18.363 -0.222) 18.365 1.218 ( -2.800 16.119 12.383) 20.519 1.768 ( 1.280 8.860 -6.903) 11.305 2.032 ( 11.471 9.710 -0.945) 15.059 2.211 ( 3.273 7.049 2.851) 8.278 2.974 ( 1.140 -2.998 -0.921) 3.337 3.670 ( 1.807 1.359 -0.389) 2.294 3.869 ( -1.452 0.463 0.348) 1.563 4.112 ( 3.448 4.003 0.349) 5.294 4.550 ( 2.994 -1.825 -4.950) 6.066 4.919 ( -1.714 -10.257 4.827) 11.465 5.465 ( -8.047 -3.069 -7.427) 11.372======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( -0.990 13.582 2.150) 13.787 1.395 ( 0.641 18.252 5.682) 19.126 1.897 ( 7.265 7.130 -6.870) 12.280 2.165 ( 2.246 4.412 -8.381) 9.734 2.498 ( 11.568 9.730 7.269) 16.773 2.994 ( 3.792 -1.493 3.053) 5.092 3.721 ( 2.193 1.794 0.586) 2.893 3.862 ( -0.510 1.453 -0.267) 1.563 4.175 ( 1.106 0.509 -0.985) 1.566 4.568 ( 2.735 -3.087 -1.448) 4.371 4.781 ( -4.075 -9.912 4.106) 11.477 5.252 ( -9.752 -2.386 -7.717) 12.662======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 1.369 11.755 2.654) 12.128 1.613 ( 2.601 16.986 1.679) 17.266 2.089 ( 7.615 7.036 -2.952) 10.780 2.227 ( 2.491 4.658 -4.891) 7.199 2.719 ( 6.488 0.814 0.480) 6.557 3.094 ( 5.691 0.822 4.805) 7.493 3.784 ( 2.411 2.099 1.391) 3.486 3.876 ( -0.287 2.431 -0.007) 2.448 4.162 ( -0.765 -2.075 -1.867) 2.895 4.567 ( 0.202 -2.391 0.504) 2.452 4.613 ( -7.459 -3.754 0.112) 8.351 5.074 ( -4.146 -4.660 -4.342) 7.600======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.623 ( 2.512 10.432 2.653) 11.054 1.818 ( 2.705 14.639 -1.381) 14.950 2.242 ( 2.867 4.462 0.619) 5.340 2.327 ( 4.542 5.806 -2.026) 7.645 2.771 ( 1.623 -3.159 -2.152) 4.152 3.179 ( 2.863 -1.326 2.640) 4.114 3.850 ( 2.365 1.816 1.467) 3.323 3.892 ( -1.182 2.615 0.505) 2.913 4.118 ( -0.364 -2.406 -1.517) 2.868 4.429 ( -9.781 1.322 -0.204) 9.872 4.598 ( 2.939 1.018 -1.127) 3.308 4.980 ( -0.014 -7.005 -1.040) 7.082======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( 1.341 8.059 0.969) 8.227 1.985 ( 2.084 12.038 -3.258) 12.644 2.286 ( -1.731 1.691 3.628) 4.361 2.450 ( 3.804 3.560 -0.982) 5.302 2.701 ( -5.111 -1.492 -5.700) 7.800 3.218 ( 3.022 -1.448 4.579) 5.674 3.874 ( -1.781 -0.162 0.816) 1.966 3.908 ( 1.021 2.167 0.018) 2.395 4.115 ( 1.996 -0.210 -0.065) 2.008 4.306 ( -7.713 4.187 -0.629) 8.799 4.686 ( 5.855 0.748 -0.156) 5.904 4.907 ( -0.396 -6.802 -0.524) 6.834======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -0.668 4.406 -1.198) 4.615 2.105 ( 0.752 8.596 -2.592) 9.010 2.243 ( -4.702 -1.118 4.637) 6.698 2.500 ( 0.408 -1.825 -0.687) 1.993 2.581 ( -6.567 5.148 -7.477) 11.204 3.280 ( 1.681 0.868 6.368) 6.643 3.832 ( -1.898 -1.489 -0.218) 2.423 3.936 ( 0.147 1.220 -0.013) 1.229 4.173 ( 3.687 -0.040 1.463) 3.967 4.239 ( -5.697 6.691 -0.989) 8.843 4.762 ( 1.937 -4.573 0.260) 4.973 4.861 ( 3.803 -2.329 -0.768) 4.525======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( -2.430 -0.497 -0.928) 2.648 2.110 ( -6.711 -1.978 2.818) 7.543 2.194 ( -2.141 5.691 2.106) 6.435 2.435 ( -2.404 -3.139 -2.683) 4.778 2.555 ( -2.759 7.792 -6.526) 10.532 3.290 ( -4.514 0.504 4.620) 6.479 3.784 ( -1.312 -2.202 -0.045) 2.564 3.939 ( -1.070 1.054 0.153) 1.510 4.178 ( -0.952 -0.429 0.056) 1.046 4.290 ( 0.800 8.267 -0.320) 8.312 4.700 ( -1.783 -3.661 -0.115) 4.074 4.963 ( 9.423 -3.351 0.192) 10.003======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( -6.184 -6.263 3.253) 9.384 1.942 ( -9.992 -1.674 0.174) 10.133 2.197 ( -5.637 5.033 1.672) 7.740 2.368 ( -0.855 -3.035 -0.720) 3.234 2.602 ( 2.004 7.446 -6.657) 10.187 3.132 ( -14.209 -1.973 2.312) 14.530 3.751 ( -0.600 -1.584 0.899) 1.917 3.923 ( -1.950 0.881 0.481) 2.193 4.180 ( 1.721 -0.273 -0.705) 1.880 4.377 ( 0.053 8.180 -1.103) 8.255 4.655 ( -0.212 -1.593 -0.173) 1.616 5.105 ( 11.296 -4.409 0.307) 12.129======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( 0.000 17.870 0.425) 17.875 1.393 ( 0.000 13.276 2.085) 13.439 1.832 ( 0.000 1.047 -1.538) 1.860 2.026 ( 0.000 15.392 -9.332) 18.000 2.271 ( -0.000 10.619 7.656) 13.091 2.942 ( -0.000 -2.078 3.019) 3.665 3.669 ( 0.000 2.189 -0.763) 2.318 3.888 ( -0.000 -0.248 0.827) 0.863 4.125 ( 0.000 4.584 -0.418) 4.603 4.482 ( 0.000 -4.245 -1.578) 4.529 4.840 ( -0.000 -10.523 2.722) 10.870 5.479 ( 0.000 -3.733 -7.562) 8.433======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( -1.834 11.279 -6.171) 12.987 1.592 ( 1.968 15.349 5.685) 16.486 1.866 ( 2.227 6.372 -1.274) 6.869 2.122 ( 2.987 4.861 -13.052) 14.245 2.488 ( 5.159 12.877 8.643) 16.344 2.956 ( 1.525 0.204 6.655) 6.831 3.708 ( 1.756 2.483 0.055) 3.042 3.882 ( -0.467 0.672 0.026) 0.819 4.169 ( 0.534 1.877 -1.223) 2.303 4.460 ( 3.593 -6.270 1.368) 7.355 4.736 ( -1.429 -8.338 0.711) 8.490 5.355 ( -6.919 -3.715 -7.153) 10.623======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 1.671 9.178 -4.171) 10.219 1.793 ( -0.065 16.564 8.931) 18.818 2.015 ( 7.981 6.143 -4.816) 11.164 2.190 ( 3.799 4.907 -8.458) 10.491 2.647 ( 2.741 1.276 3.039) 4.287 3.054 ( 3.765 4.789 6.396) 8.833 3.771 ( 2.260 2.513 1.634) 3.753 3.894 ( 0.516 1.769 -0.513) 1.913 4.159 ( -1.419 -1.077 -1.799) 2.532 4.483 ( 5.051 -5.872 1.868) 7.968 4.642 ( -2.116 -4.019 -0.657) 4.589 5.150 ( -9.492 -3.906 -5.368) 11.583======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 3.801 9.640 0.331) 10.368 1.954 ( -1.175 13.461 5.653) 14.647 2.207 ( 7.753 5.961 -2.976) 10.222 2.301 ( 4.463 6.149 -3.850) 8.518 2.674 ( 3.221 -4.567 0.590) 5.620 3.152 ( 0.998 2.575 1.149) 2.991 3.837 ( 1.923 1.863 2.462) 3.638 3.926 ( 0.652 2.356 -0.163) 2.450 4.106 ( -1.791 -1.999 -1.681) 3.167 4.513 ( 2.533 -3.429 1.263) 4.446 4.586 ( -2.051 1.316 -1.995) 3.149 4.952 ( -6.023 -5.405 -2.117) 8.365======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( 1.654 9.281 2.617) 9.784 2.067 ( 0.414 9.453 0.863) 9.502 2.332 ( 0.395 3.407 1.995) 3.968 2.415 ( 3.491 3.067 -0.966) 4.746 2.707 ( 3.534 0.691 -4.217) 5.546 3.162 ( 0.828 -0.936 -0.211) 1.268 3.880 ( 0.884 0.047 1.462) 1.709 3.945 ( -1.512 2.258 0.283) 2.733 4.072 ( 1.009 -1.381 -0.611) 1.816 4.476 ( -5.893 3.292 -0.784) 6.795 4.610 ( 3.427 0.280 -0.494) 3.474 4.836 ( -0.500 -6.422 -0.021) 6.442======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( -2.523 6.767 2.156) 7.537 2.162 ( 0.981 6.688 -0.885) 6.817 2.310 ( -3.565 -1.695 3.214) 5.090 2.460 ( 1.364 -2.187 -0.660) 2.661 2.743 ( -4.495 10.133 -6.835) 13.023 3.218 ( 6.375 -1.026 2.527) 6.934 3.863 ( -2.471 -0.775 -0.026) 2.589 3.943 ( -0.110 0.783 0.815) 1.135 4.103 ( 3.414 -1.479 0.706) 3.787 4.410 ( -6.293 6.519 -1.032) 9.120 4.667 ( 3.864 -2.645 0.221) 4.688 4.791 ( 1.182 -4.275 -0.176) 4.439======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -5.594 2.237 1.285) 6.161 2.193 ( -3.608 0.354 0.757) 3.704 2.262 ( -0.542 1.953 2.378) 3.125 2.428 ( -1.052 -3.232 -0.867) 3.508 2.721 ( -7.347 10.598 -5.839) 14.156 3.318 ( 3.202 -0.193 1.717) 3.638 3.804 ( -2.838 -0.882 0.491) 3.012 3.955 ( 0.331 0.383 0.539) 0.739 4.137 ( 2.430 -3.205 0.488) 4.052 4.405 ( -2.801 9.205 -0.945) 9.668 4.676 ( 0.785 -3.387 0.174) 3.481 4.797 ( 4.654 -4.161 -0.166) 6.246======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -6.934 -1.817 1.974) 7.435 2.087 ( -7.817 -1.115 0.824) 7.939 2.302 ( 0.186 2.810 3.534) 4.519 2.362 ( -3.114 -2.384 -1.106) 4.075 2.686 ( -4.703 8.058 -4.989) 10.580 3.291 ( -5.535 -1.977 -0.718) 5.921 3.765 ( -1.613 0.021 2.232) 2.754 3.957 ( -0.901 0.371 0.224) 1.000 4.136 ( 1.594 -2.250 -0.844) 2.884 4.464 ( -1.032 7.544 -0.915) 7.669 4.649 ( -0.693 -1.587 -0.187) 1.742 4.871 ( 9.457 -4.794 -0.130) 10.604======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 0.000 6.581 -7.812) 10.214 1.652 ( 0.000 9.756 -7.992) 12.612 1.933 ( -0.000 7.327 6.822) 10.011 2.121 ( 0.000 6.957 -9.491) 11.767 2.599 ( -0.000 9.681 7.813) 12.441 2.988 ( -0.000 4.751 9.332) 10.472 3.719 ( 0.000 3.111 -0.350) 3.131 3.889 ( -0.000 0.054 0.147) 0.156 4.181 ( 0.000 1.642 -1.807) 2.442 4.356 ( -0.000 -8.641 3.476) 9.314 4.681 ( 0.000 -4.767 -1.532) 5.007 5.352 ( 0.000 -4.892 -6.630) 8.239======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 0.146 5.656 -6.672) 8.748 1.808 ( 10.800 5.030 -9.901) 15.491 2.024 ( -1.153 8.754 6.518) 10.974 2.193 ( 1.502 8.525 -4.044) 9.555 2.659 ( -0.887 -0.835 6.176) 6.295 3.105 ( 1.085 9.819 7.146) 12.192 3.767 ( 1.785 3.141 0.578) 3.659 3.894 ( 0.500 0.500 -0.246) 0.749 4.171 ( -1.208 -0.852 -1.770) 2.306 4.327 ( 4.670 -7.344 2.911) 9.176 4.638 ( -0.921 -1.024 -2.022) 2.446 5.228 ( -5.861 -5.287 -5.327) 9.522======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 5.309 6.880 -1.722) 8.859 2.016 ( 11.468 -0.065 -9.314) 14.774 2.135 ( 1.610 12.658 6.457) 14.301 2.300 ( 2.346 7.319 -1.604) 7.851 2.618 ( -1.163 -5.477 5.317) 7.721 3.208 ( -1.348 7.100 1.115) 7.313 3.835 ( 1.840 2.478 2.146) 3.760 3.915 ( 1.567 0.365 -0.520) 1.691 4.128 ( -2.067 -0.405 -1.671) 2.688 4.371 ( 6.876 -5.730 1.373) 9.055 4.621 ( -1.047 2.094 -1.474) 2.767 5.035 ( -8.474 -5.023 -3.137) 10.338======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 6.138 7.181 1.021) 9.502 2.123 ( 3.097 2.735 -1.530) 4.406 2.348 ( 4.565 7.804 1.593) 9.181 2.390 ( 2.115 2.594 -0.761) 3.433 2.594 ( 5.226 -2.734 2.774) 6.518 3.204 ( -4.246 3.362 -2.794) 6.093 3.873 ( 0.419 0.068 1.937) 1.983 3.954 ( 2.238 0.480 -0.283) 2.306 4.085 ( -2.793 1.104 -1.303) 3.273 4.450 ( 6.935 -3.481 0.611) 7.784 4.624 ( -1.808 3.058 -1.067) 3.710 4.847 ( -6.528 -4.056 -0.748) 7.722======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( 2.032 5.300 1.465) 5.862 2.192 ( 1.653 3.819 -0.176) 4.165 2.353 ( -3.061 -3.385 1.373) 4.766 2.422 ( 0.421 -0.414 -0.065) 0.594 2.805 ( 10.129 9.010 -0.942) 13.589 3.148 ( -2.373 0.437 -1.732) 2.971 3.876 ( 0.170 -0.748 0.563) 0.951 3.970 ( -1.305 -0.287 0.208) 1.353 4.058 ( -0.132 0.170 -0.215) 0.304 4.525 ( 2.158 0.932 -0.031) 2.351 4.600 ( -1.321 0.044 -0.589) 1.447 4.750 ( -1.313 -2.358 0.286) 2.714======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( -4.425 1.078 1.524) 4.802 2.245 ( -0.499 1.873 0.188) 1.948 2.278 ( -1.138 -1.561 0.569) 2.014 2.408 ( -0.050 -1.811 0.066) 1.813 2.949 ( -6.752 11.577 -3.042) 13.743 3.189 ( 9.191 -3.139 0.280) 9.716 3.859 ( -2.779 0.780 -0.230) 2.895 3.937 ( 0.549 -2.394 1.478) 2.867 4.072 ( 1.740 -1.141 -0.238) 2.094 4.531 ( -2.973 5.581 -0.862) 6.382 4.616 ( 2.640 -2.055 0.326) 3.361 4.721 ( 0.563 -2.932 0.164) 2.990======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( -7.060 -1.478 1.991) 7.483 2.191 ( -4.869 -0.246 0.288) 4.884 2.287 ( 1.253 -1.804 1.223) 2.514 2.402 ( -0.678 1.535 0.758) 1.841 2.872 ( -9.228 5.547 -1.630) 10.890 3.274 ( 3.056 -3.460 -3.407) 5.738 3.817 ( -2.660 1.203 2.034) 3.557 3.950 ( 1.651 -1.259 0.577) 2.155 4.087 ( 1.534 -0.786 -1.023) 2.004 4.538 ( -1.872 1.758 -0.520) 2.620 4.628 ( 1.521 -1.100 -0.451) 1.931 4.731 ( 3.248 -0.176 0.438) 3.282======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 0.000 3.617 -5.910) 6.929 1.679 ( 0.000 1.401 -11.427) 11.512 2.134 ( -0.000 7.807 4.901) 9.218 2.265 ( 0.000 9.194 -1.088) 9.258 2.659 ( -0.000 -5.363 7.137) 8.928 3.232 ( -0.000 11.656 5.369) 12.833 3.782 ( 0.000 3.153 0.117) 3.155 3.891 ( 0.000 0.260 -0.396) 0.474 4.149 ( -0.000 -5.031 0.454) 5.052 4.243 ( -0.000 -2.320 0.466) 2.366 4.644 ( 0.000 1.947 -1.943) 2.751 5.204 ( 0.000 -6.537 -4.547) 7.963======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( 3.367 4.545 -2.251) 6.088 1.774 ( 10.677 0.109 -8.453) 13.618 2.227 ( 1.320 6.908 3.329) 7.781 2.350 ( 0.310 7.056 0.078) 7.063 2.603 ( -1.392 -6.872 6.325) 9.443 3.328 ( -2.292 8.367 0.905) 8.722 3.832 ( 2.010 2.742 0.802) 3.493 3.895 ( 0.319 -0.273 -0.338) 0.539 4.120 ( 1.870 -3.095 0.240) 3.625 4.243 ( 1.956 -1.825 -0.341) 2.697 4.665 ( -0.800 4.556 -1.075) 4.749 5.083 ( -4.582 -6.740 -3.021) 8.692======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 7.270 4.372 -0.017) 8.484 1.969 ( 12.759 0.962 -4.142) 13.449 2.342 ( 3.915 4.428 0.177) 5.914 2.409 ( 0.376 4.076 2.176) 4.635 2.534 ( -0.617 -5.371 4.978) 7.349 3.325 ( -4.923 4.996 -2.670) 7.505 3.878 ( -0.501 -0.422 1.500) 1.637 3.907 ( 2.971 0.455 -0.663) 3.078 4.138 ( -0.414 2.379 -1.338) 2.761 4.282 ( 6.480 -3.930 0.613) 7.603 4.691 ( -1.976 5.085 -0.337) 5.466 4.917 ( -6.207 -5.405 -1.205) 8.319======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 7.031 1.317 -0.862) 7.205 2.157 ( 6.611 2.898 -0.579) 7.242 2.350 ( -1.473 -3.851 -0.754) 4.192 2.449 ( -2.096 0.774 0.433) 2.276 2.631 ( 13.482 1.961 4.676) 14.404 3.264 ( -6.080 4.379 -2.471) 7.890 3.860 ( 0.108 -1.876 0.370) 1.916 3.956 ( 1.778 0.219 -0.475) 1.853 4.118 ( -4.012 2.223 -0.860) 4.666 4.392 ( 8.935 -2.166 0.778) 9.226 4.675 ( -4.132 1.964 -0.479) 4.600 4.787 ( -4.052 -1.587 0.119) 4.354======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( 2.379 -2.794 -1.196) 3.859 2.247 ( 1.957 0.728 -0.255) 2.103 2.281 ( -1.562 -1.694 -0.268) 2.319 2.409 ( -1.492 -0.713 -0.292) 1.679 2.924 ( 15.370 0.285 2.395) 15.558 3.190 ( -7.640 4.777 0.007) 9.010 3.858 ( 1.783 -1.450 -0.044) 2.298 3.949 ( -2.575 -0.599 -1.164) 2.889 4.069 ( -1.968 0.668 0.338) 2.105 4.524 ( 6.498 0.182 0.722) 6.540 4.619 ( -3.091 1.038 -0.359) 3.281 4.722 ( -2.709 -0.811 -0.063) 2.829======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( -2.579 -4.466 -0.000) 5.157 2.244 ( -0.853 -1.477 -0.000) 1.706 2.256 ( -0.918 -1.591 -0.000) 1.837 2.415 ( 1.255 2.174 -0.000) 2.510 3.036 ( -3.513 -6.085 -0.000) 7.027 3.164 ( 2.394 4.146 -0.000) 4.787 3.877 ( -1.310 -2.269 -0.000) 2.620 3.898 ( 1.076 1.864 -0.000) 2.152 4.069 ( 0.545 0.943 -0.000) 1.089 4.552 ( -2.849 -4.935 -0.000) 5.698 4.613 ( 1.600 2.771 -0.000) 3.200 4.714 ( 1.500 2.598 -0.000) 3.000======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 0.000 2.014 -3.289) 3.856 1.665 ( 0.000 3.148 -1.125) 3.343 2.269 ( 0.000 3.564 0.812) 3.656 2.409 ( 0.000 4.158 0.844) 4.242 2.565 ( -0.000 -6.146 4.947) 7.890 3.422 ( 0.000 5.501 -1.600) 5.729 3.836 ( 0.000 1.883 0.175) 1.891 3.895 ( 0.000 0.416 -0.311) 0.519 4.053 ( -0.000 -4.143 1.696) 4.476 4.233 ( 0.000 0.886 -1.608) 1.836 4.730 ( 0.000 7.181 -0.233) 7.185 5.040 ( -0.000 -7.832 -2.107) 8.111======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 4.495 1.926 -0.716) 4.943 1.788 ( 9.568 4.609 2.563) 10.925 2.310 ( 2.273 0.675 -1.372) 2.740 2.430 ( 0.294 -0.968 2.737) 2.918 2.523 ( -1.140 -2.304 2.221) 3.397 3.423 ( -2.784 2.289 -4.225) 5.554 3.863 ( 1.131 -0.474 -1.013) 1.590 3.893 ( -0.122 0.765 1.266) 1.484 4.079 ( 5.605 -1.229 0.999) 5.824 4.232 ( -0.773 0.743 -1.360) 1.732 4.793 ( -2.067 7.890 0.305) 8.162 4.930 ( -2.957 -7.167 -0.734) 7.788======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 6.757 -0.414 -0.838) 6.822 2.045 ( 10.718 5.609 3.584) 12.617 2.321 ( 0.531 -3.315 -3.648) 4.958 2.461 ( 4.459 -4.317 4.554) 7.698 2.493 ( 0.139 1.245 0.888) 1.536 3.372 ( -3.312 1.512 -3.518) 5.063 3.841 ( -0.499 -2.268 -1.039) 2.545 3.929 ( 1.809 0.759 0.712) 2.087 4.197 ( -0.672 3.724 -1.060) 3.930 4.220 ( 7.151 -2.445 0.904) 7.611 4.770 ( -5.021 -1.108 -0.504) 5.166 4.845 ( -3.387 2.287 0.911) 4.187======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 5.586 -3.790 -1.687) 6.958 2.197 ( 2.584 -1.626 -0.075) 3.054 2.286 ( 0.693 0.368 -2.897) 3.001 2.423 ( -1.597 -2.746 0.268) 3.187 2.670 ( 13.814 -0.886 5.243) 14.802 3.326 ( -3.482 1.567 -0.047) 3.819 3.814 ( 0.682 -2.201 -1.435) 2.714 3.959 ( 0.715 0.309 -0.312) 0.839 4.139 ( -4.403 -0.034 -0.004) 4.403 4.397 ( 9.331 2.240 0.855) 9.634 4.678 ( -3.312 -1.169 -0.215) 3.519 4.795 ( -5.634 2.088 0.329) 6.018======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( -0.000 2.880 3.216) 4.317 1.744 ( -0.000 6.126 5.539) 8.259 2.275 ( 0.000 -2.412 -2.894) 3.768 2.409 ( -0.000 -3.379 2.160) 4.011 2.525 ( -0.000 -0.954 0.757) 1.218 3.431 ( 0.000 -1.548 -6.793) 6.967 3.851 ( 0.000 -0.218 -0.296) 0.367 3.905 ( -0.000 0.384 0.358) 0.525 4.013 ( -0.000 -1.028 1.594) 1.897 4.248 ( 0.000 1.395 -1.354) 1.944 4.870 ( -0.000 -5.668 -0.626) 5.702 4.912 ( 0.000 7.716 1.414) 7.844======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 1.041 1.719 3.436) 3.980 1.944 ( 9.745 7.102 6.919) 13.902 2.238 ( 1.487 -5.945 -4.841) 7.809 2.389 ( 1.024 -2.927 2.642) 4.074 2.504 ( -0.808 -1.663 0.095) 1.851 3.376 ( -0.313 -3.604 -6.438) 7.384 3.832 ( -1.138 -1.554 -0.822) 2.094 3.913 ( 0.886 0.140 0.866) 1.247 4.078 ( 6.587 0.381 1.044) 6.680 4.248 ( -1.136 1.557 -0.883) 2.120 4.784 ( -2.040 -5.984 0.125) 6.323 4.978 ( -3.563 8.919 1.020) 9.658======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 2.588 -1.833 1.298) 3.427 2.132 ( 1.770 -3.780 -1.410) 4.406 2.216 ( 6.630 -0.689 -3.016) 7.316 2.403 ( 0.832 -3.153 3.868) 5.059 2.511 ( 5.233 0.375 3.271) 6.182 3.326 ( 1.013 -4.705 -3.148) 5.751 3.790 ( -0.947 -1.935 -1.388) 2.562 3.938 ( 1.603 -0.199 0.332) 1.649 4.176 ( 0.771 -1.379 0.534) 1.668 4.287 ( 5.910 4.504 0.338) 7.438 4.699 ( -2.163 -3.437 0.155) 4.064 4.962 ( -7.607 6.769 0.492) 10.195======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( -0.000 2.449 6.249) 6.712 1.927 ( -0.000 6.246 6.841) 9.264 2.139 ( 0.000 -8.506 -5.803) 10.297 2.365 ( -0.000 -1.711 2.661) 3.164 2.489 ( -0.000 -2.091 -0.581) 2.171 3.294 ( 0.000 -8.033 -7.121) 10.735 3.832 ( -0.000 -1.469 0.059) 1.470 3.905 ( -0.000 -0.633 0.048) 0.635 4.028 ( -0.000 1.978 0.844) 2.150 4.269 ( 0.000 1.179 -0.420) 1.252 4.745 ( -0.000 -5.034 0.474) 5.056 5.109 ( 0.000 9.632 0.598) 9.651======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( -3.011 -0.061 4.158) 5.134 2.024 ( 0.982 -11.807 -5.891) 13.232 2.077 ( 8.133 0.882 1.065) 8.250 2.384 ( 0.909 -0.035 6.584) 6.646 2.479 ( 1.016 1.426 0.242) 1.768 3.197 ( 2.473 -11.312 -4.905) 12.575 3.796 ( -1.824 -1.764 -0.255) 2.550 3.907 ( 1.242 -0.927 -0.148) 1.557 4.115 ( 5.152 3.338 0.765) 6.186 4.278 ( 0.401 1.476 0.204) 1.543 4.696 ( -1.163 -2.888 0.320) 3.130 5.157 ( -5.244 8.608 -0.051) 10.079======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 0.000 -12.814 -4.162) 13.473 1.903 ( -0.000 1.119 4.034) 4.186 1.924 ( 0.000 -8.439 -4.668) 9.643 2.402 ( -0.000 -0.559 4.839) 4.871 2.512 ( -0.000 7.188 4.172) 8.311 3.017 ( -0.000 -16.738 -3.600) 17.120 3.797 ( -0.000 -2.263 0.859) 2.421 3.883 ( 0.000 -1.220 -0.884) 1.507 4.120 ( 0.000 7.186 0.546) 7.207 4.283 ( -0.000 0.039 0.651) 0.652 4.686 ( -0.000 -1.175 -0.001) 1.175 5.290 ( 0.000 8.554 -1.016) 8.614======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.555 ( -0.000 -0.000 18.837) 18.837 0.555 ( -0.000 -0.000 18.837) 18.837 0.938 ( -0.000 -0.000 32.686) 32.686 1.960 ( 0.000 0.000 -5.986) 5.986 1.960 ( 0.000 0.000 -5.986) 5.986 3.493 ( 0.000 0.000 -17.838) 17.838 3.638 ( 0.000 0.000 -0.771) 0.771 3.638 ( 0.000 0.000 -0.771) 0.771 3.888 ( -0.000 -0.000 1.405) 1.405 3.888 ( -0.000 -0.000 1.405) 1.405 5.044 ( -0.000 -0.000 7.800) 7.800 5.850 ( 0.000 0.000 -1.328) 1.328======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.579 ( 3.076 1.776 15.889) 16.281 0.732 ( 4.094 2.364 20.462) 21.001 1.242 ( 16.287 9.404 18.179) 26.157 1.950 ( 3.055 1.764 -5.008) 6.126 1.992 ( 2.330 1.345 -5.179) 5.836 3.129 ( -7.055 -4.073 -7.155) 10.842 3.647 ( 0.706 0.407 -0.933) 1.239 3.878 ( -0.804 -0.464 1.498) 1.763 3.944 ( 6.262 3.616 1.156) 7.323 4.298 ( 23.793 13.737 -21.861) 35.110 5.071 ( 0.118 0.068 6.105) 6.106 5.706 ( -10.856 -6.267 -0.470) 12.544======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.766 ( 9.213 5.319 9.605) 14.333 0.893 ( 5.337 3.082 15.573) 16.748 1.630 ( 13.787 7.960 -4.504) 16.544 2.035 ( 2.612 1.508 -4.057) 5.055 2.116 ( 11.990 6.922 6.849) 15.446 3.041 ( 0.048 0.028 -6.622) 6.622 3.666 ( 1.265 0.730 -1.309) 1.961 3.863 ( -0.888 -0.513 1.669) 1.959 4.092 ( 5.596 3.231 1.542) 6.643 4.577 ( 7.177 4.144 -11.778) 14.401 5.066 ( -2.694 -1.555 5.297) 6.142 5.412 ( -12.935 -7.468 -4.651) 15.643======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( 11.560 6.674 4.631) 14.129 1.074 ( 7.548 4.358 6.678) 10.980 1.867 ( 10.235 5.909 -10.009) 15.487 2.086 ( 2.745 1.585 -2.565) 4.078 2.476 ( 14.772 8.529 9.425) 19.488 3.069 ( 3.391 1.958 -2.619) 4.711 3.700 ( 2.109 1.217 -1.609) 2.918 3.850 ( -0.576 -0.332 1.740) 1.863 4.184 ( 2.132 1.231 -0.523) 2.517 4.627 ( 0.130 0.075 -3.820) 3.823 4.904 ( -14.177 -8.185 7.261) 17.909 5.188 ( -3.039 -1.755 -9.025) 9.683======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.279 ( 9.337 5.391 0.646) 10.801 1.305 ( 11.213 6.474 0.996) 12.986 2.070 ( 9.559 5.519 -5.292) 12.241 2.144 ( 2.633 1.520 -0.655) 3.110 2.766 ( 7.770 4.486 3.202) 9.526 3.168 ( 4.677 2.700 2.453) 5.932 3.751 ( 2.743 1.584 -1.648) 3.570 3.848 ( -0.009 -0.005 1.619) 1.619 4.193 ( -0.702 -0.405 -1.868) 2.036 4.561 ( -14.693 -8.483 3.083) 17.244 4.598 ( -1.222 -0.706 -2.728) 3.072 5.144 ( -0.704 -0.407 -3.205) 3.307======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 9.742 5.625 -2.835) 11.601 1.538 ( 9.102 5.255 -1.881) 10.677 2.198 ( 1.889 1.091 1.551) 2.677 2.267 ( 8.263 4.771 -1.727) 9.696 2.836 ( -1.779 -1.027 -1.091) 2.326 3.256 ( 1.456 0.840 4.884) 5.165 3.807 ( 2.261 1.305 -1.205) 2.876 3.861 ( 0.820 0.474 1.105) 1.455 4.153 ( -2.255 -1.302 -1.160) 2.851 4.293 ( -8.006 -4.622 0.398) 9.253 4.611 ( 3.122 1.802 -1.135) 3.779 5.105 ( -2.497 -1.442 -0.881) 3.015======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 8.895 5.136 -5.705) 11.749 1.707 ( 6.418 3.705 -4.060) 8.450 2.229 ( -0.143 -0.083 3.598) 3.602 2.419 ( 4.762 2.749 -0.527) 5.524 2.709 ( -7.188 -4.150 -4.271) 9.335 3.274 ( -1.047 -0.604 8.341) 8.428 3.839 ( 0.750 0.433 -0.076) 0.869 3.891 ( 1.370 0.791 -0.035) 1.582 4.090 ( -2.511 -1.450 -0.935) 3.047 4.201 ( -1.006 -0.581 0.758) 1.387 4.732 ( 7.094 4.096 -0.412) 8.202 5.019 ( -4.771 -2.755 -0.730) 5.557======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( 4.177 2.412 -5.443) 7.273 1.865 ( 7.070 4.082 -6.891) 10.683 2.201 ( -3.685 -2.127 5.062) 6.613 2.453 ( -1.558 -0.900 -2.155) 2.808 2.559 ( -3.754 -2.167 -3.430) 5.527 3.272 ( -1.683 -0.972 10.034) 10.220 3.846 ( -0.151 -0.087 0.202) 0.267 3.912 ( 0.331 0.191 -0.284) 0.476 4.046 ( -0.987 -0.570 -1.806) 2.136 4.216 ( 1.449 0.836 1.997) 2.605 4.863 ( -2.556 -1.476 0.203) 2.958 4.936 ( 4.769 2.753 -1.120) 5.619======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 2.674 1.544 -6.275) 6.993 1.969 ( 2.582 1.491 -2.190) 3.699 2.085 ( -7.997 -4.617 6.060) 11.045 2.412 ( 0.601 0.347 -7.549) 7.581 2.484 ( -2.723 -1.572 0.585) 3.198 3.228 ( -5.558 -3.209 7.247) 9.680 3.833 ( -1.027 -0.593 -0.153) 1.195 3.905 ( -0.814 -0.470 0.124) 0.948 4.039 ( 1.285 0.742 -1.524) 2.127 4.261 ( 1.640 0.947 1.301) 2.298 4.749 ( -4.416 -2.549 -0.343) 5.110 5.110 ( 7.978 4.606 0.433) 9.223======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( -0.000 10.160 14.433) 17.650 0.844 ( -0.000 11.360 14.100) 18.107 1.267 ( -0.000 12.938 23.295) 26.647 1.877 ( 0.000 -1.861 -6.936) 7.182 2.012 ( 0.000 5.935 -5.226) 7.908 3.108 ( 0.000 -8.987 -7.785) 11.890 3.629 ( 0.000 0.084 -0.715) 0.719 3.888 ( 0.000 5.838 -0.455) 5.856 3.898 ( -0.000 -0.160 1.282) 1.291 4.250 ( 0.000 24.536 -16.873) 29.778 5.089 ( -0.000 -0.566 6.169) 6.195 5.732 ( -0.000 -8.740 -1.688) 8.902======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( -0.193 14.878 8.637) 17.204 0.990 ( -1.077 10.707 17.084) 20.191 1.529 ( 6.835 11.755 1.867) 13.726 1.935 ( 9.019 1.389 -1.793) 9.299 2.076 ( 2.592 7.080 -0.716) 7.573 3.010 ( -0.478 -2.485 -7.078) 7.517 3.650 ( 1.515 0.644 -0.684) 1.783 3.869 ( -1.081 -0.453 0.706) 1.368 4.032 ( 6.081 4.240 1.741) 7.615 4.461 ( 7.166 9.512 -12.855) 17.524 5.082 ( -0.861 -3.478 5.175) 6.294 5.543 ( -10.151 -7.671 -3.817) 13.284======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 3.495 15.271 3.675) 16.091 1.122 ( -1.230 10.822 14.349) 18.015 1.729 ( 8.874 7.329 -9.990) 15.240 2.058 ( 3.152 3.655 -5.877) 7.605 2.338 ( 14.019 9.030 9.953) 19.420 3.007 ( 3.123 0.237 -4.039) 5.111 3.684 ( 1.410 1.850 -0.789) 2.456 3.854 ( -0.230 -0.694 0.827) 1.104 4.151 ( 3.296 1.877 0.352) 3.809 4.581 ( 3.859 1.182 -5.510) 6.831 5.006 ( -4.293 -9.019 7.378) 12.418 5.264 ( -11.477 -2.788 -8.499) 14.551======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.254 ( 3.823 9.967 2.934) 11.070 1.290 ( 3.637 15.071 6.047) 16.642 1.940 ( 10.050 6.727 -5.771) 13.400 2.126 ( 2.540 3.883 -4.246) 6.289 2.661 ( 10.801 5.226 4.141) 12.694 3.091 ( 6.112 1.269 0.483) 6.261 3.733 ( 1.795 2.844 -0.888) 3.479 3.852 ( 0.072 -0.013 1.100) 1.103 4.184 ( 0.393 -0.598 -1.445) 1.612 4.594 ( -0.106 -1.191 -2.431) 2.709 4.754 ( -14.443 -8.797 3.425) 17.254 5.126 ( -1.147 -1.846 -4.216) 4.743======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( 4.937 9.058 2.790) 10.687 1.520 ( 4.692 13.758 -0.135) 14.537 2.151 ( 7.665 4.785 -1.162) 9.110 2.206 ( 3.537 5.162 -2.317) 6.673 2.810 ( 3.366 -0.722 -0.805) 3.535 3.209 ( 5.117 -0.064 2.503) 5.696 3.794 ( 1.854 3.329 -0.932) 3.923 3.862 ( 0.187 0.750 1.487) 1.675 4.159 ( -0.889 -1.898 -1.510) 2.583 4.445 ( -13.222 -3.343 -0.350) 13.643 4.582 ( 0.986 0.089 -0.788) 1.266 5.091 ( 0.313 -4.148 -0.371) 4.176======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( 4.825 7.060 0.398) 8.561 1.715 ( 3.521 12.538 -3.569) 13.503 2.246 ( 0.965 2.637 1.837) 3.355 2.359 ( 6.181 4.891 -0.890) 7.932 2.760 ( -4.711 -4.429 -4.117) 7.666 3.272 ( 2.566 -1.801 4.899) 5.816 3.845 ( 0.324 2.720 -0.457) 2.777 3.881 ( 0.790 0.835 0.896) 1.458 4.121 ( -1.238 -0.940 -0.552) 1.650 4.258 ( -6.775 0.501 -0.379) 6.804 4.650 ( 5.544 2.351 -0.316) 6.030 5.033 ( -1.678 -5.421 0.060) 5.675======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( 3.529 4.078 -2.531) 5.957 1.872 ( 2.414 11.850 -5.727) 13.381 2.261 ( -2.427 0.666 3.963) 4.695 2.462 ( 1.300 2.166 -1.090) 2.751 2.593 ( -5.839 -4.162 -5.076) 8.786 3.306 ( 0.708 -1.035 8.236) 8.331 3.851 ( -0.815 0.010 0.318) 0.875 3.909 ( 0.727 1.165 -0.444) 1.443 4.098 ( -2.688 3.444 -1.042) 4.491 4.207 ( -0.176 0.059 1.256) 1.269 4.795 ( 7.803 1.769 0.048) 8.001 4.931 ( -3.275 -5.050 -0.758) 6.067======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 2.426 0.978 -4.378) 5.100 2.001 ( 1.436 10.642 -5.286) 11.969 2.192 ( -6.476 -2.252 5.392) 8.723 2.425 ( -3.486 0.718 -5.255) 6.347 2.506 ( -1.549 -1.978 -0.342) 2.535 3.310 ( -2.919 -0.749 7.914) 8.468 3.828 ( -0.646 -1.903 0.139) 2.015 3.919 ( -0.561 0.807 -0.424) 1.070 4.089 ( -3.048 5.684 -1.374) 6.594 4.237 ( 2.349 0.132 1.558) 2.822 4.786 ( -3.858 -4.711 -0.271) 6.095 4.985 ( 9.231 1.195 -0.462) 9.319======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( -0.000 16.550 7.406) 18.132 1.147 ( -0.000 12.317 6.508) 13.931 1.669 ( -0.000 16.988 5.440) 17.838 1.817 ( 0.000 -0.301 -4.262) 4.272 2.122 ( 0.000 7.293 0.170) 7.295 2.971 ( 0.000 -1.764 -4.960) 5.265 3.635 ( 0.000 0.975 -0.593) 1.142 3.898 ( -0.000 -0.456 0.901) 1.009 4.018 ( 0.000 6.292 1.317) 6.429 4.457 ( 0.000 6.554 -8.197) 10.496 5.053 ( -0.000 -7.390 5.112) 8.986 5.545 ( 0.000 -6.623 -6.484) 9.269======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( -1.520 15.093 0.616) 15.182 1.323 ( 1.081 13.634 9.998) 16.941 1.706 ( -1.629 8.972 -6.358) 11.116 1.981 ( 7.764 4.697 -8.511) 12.441 2.277 ( 7.297 10.661 10.003) 16.339 2.962 ( 1.192 0.488 -1.620) 2.069 3.668 ( 2.106 1.493 -0.197) 2.589 3.871 ( -1.831 0.349 0.095) 1.866 4.118 ( 3.271 3.191 0.909) 4.659 4.511 ( 3.350 1.161 -3.442) 4.942 4.964 ( -1.200 -11.346 5.157) 12.521 5.392 ( -8.269 -3.515 -8.499) 12.368======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( 1.687 12.182 -2.654) 12.581 1.489 ( -2.067 16.423 11.911) 20.392 1.842 ( 7.785 9.088 -5.258) 13.071 2.083 ( 4.513 3.321 -9.615) 11.128 2.558 ( 8.933 7.456 5.704) 12.959 3.018 ( 3.990 1.797 2.217) 4.905 3.726 ( 2.278 2.391 0.433) 3.331 3.859 ( -0.357 1.142 -0.361) 1.250 4.167 ( 0.639 -0.059 -0.788) 1.016 4.556 ( 2.419 -1.560 -1.072) 3.072 4.821 ( -3.837 -12.032 4.684) 13.470 5.182 ( -9.014 -1.409 -7.535) 11.833======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 3.651 11.103 -0.238) 11.690 1.661 ( -1.246 17.024 8.078) 18.884 2.066 ( 8.731 7.716 -2.115) 11.842 2.174 ( 4.826 4.517 -6.622) 9.356 2.722 ( 5.138 -0.062 -0.105) 5.139 3.129 ( 4.870 1.235 2.768) 5.736 3.793 ( 2.087 3.081 0.731) 3.793 3.876 ( 0.306 2.082 0.172) 2.111 4.147 ( -0.837 -2.148 -1.361) 2.677 4.561 ( 0.565 -0.717 -1.528) 1.780 4.621 ( -9.288 -5.859 1.309) 11.060 5.045 ( -2.153 -4.398 -2.024) 5.299======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( 2.789 10.438 2.195) 11.024 1.821 ( -0.435 14.931 2.289) 15.112 2.244 ( 4.293 4.957 -0.197) 6.560 2.306 ( 5.745 6.156 -2.546) 8.796 2.746 ( 0.395 -3.783 -3.356) 5.073 3.200 ( 3.573 -1.950 1.812) 4.456 3.858 ( 1.722 2.830 0.344) 3.331 3.898 ( -0.825 1.972 0.856) 2.303 4.108 ( -0.005 -2.275 -0.644) 2.364 4.422 ( -9.958 1.286 -1.348) 10.131 4.592 ( 3.189 1.025 -0.034) 3.350 4.977 ( 0.354 -7.067 0.425) 7.089======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( -0.144 8.375 2.016) 8.615 1.959 ( 0.502 12.878 -2.321) 13.095 2.315 ( -0.783 2.400 2.774) 3.751 2.440 ( 4.042 3.751 -1.292) 5.664 2.645 ( -5.582 -2.615 -6.505) 8.962 3.259 ( 4.891 -2.079 4.381) 6.888 3.880 ( -2.135 -0.409 0.590) 2.252 3.908 ( 0.853 2.413 -0.188) 2.566 4.118 ( 2.380 0.208 0.701) 2.489 4.298 ( -7.438 3.995 -0.966) 8.498 4.686 ( 5.937 0.887 0.142) 6.004 4.905 ( -0.737 -6.945 0.056) 6.984======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( -2.286 5.218 -0.147) 5.698 2.077 ( 0.633 10.561 -3.368) 11.103 2.284 ( -4.166 -1.320 4.384) 6.190 2.492 ( -0.711 -3.104 -1.316) 3.446 2.519 ( -5.197 5.815 -5.842) 9.744 3.333 ( 2.504 -0.621 5.192) 5.798 3.833 ( -2.004 -1.607 0.469) 2.612 3.934 ( 0.002 1.546 -0.389) 1.594 4.186 ( 3.872 0.404 1.390) 4.134 4.229 ( -5.814 6.121 -1.060) 8.509 4.765 ( 1.673 -4.762 0.418) 5.064 4.853 ( 3.933 -1.959 -0.925) 4.490======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 0.000 9.985 -4.167) 10.820 1.386 ( 0.000 14.604 0.062) 14.605 1.842 ( -0.000 3.715 3.530) 5.124 1.915 ( 0.000 10.598 -13.708) 17.327 2.366 ( -0.000 13.430 11.837) 17.902 2.965 ( -0.000 1.732 2.002) 2.647 3.664 ( 0.000 2.208 -0.329) 2.233 3.893 ( -0.000 -0.385 0.308) 0.493 4.126 ( 0.000 3.638 0.523) 3.675 4.476 ( -0.000 -1.581 0.189) 1.593 4.865 ( -0.000 -12.604 2.863) 12.925 5.403 ( 0.000 -3.266 -9.090) 9.659======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( -1.283 9.507 -6.584) 11.635 1.612 ( 7.732 11.473 -1.510) 13.917 1.878 ( -1.629 9.208 3.443) 9.965 2.014 ( 3.610 6.240 -9.973) 12.306 2.565 ( 3.123 10.545 8.098) 13.658 3.010 ( 1.347 3.330 5.302) 6.404 3.709 ( 2.241 2.640 0.252) 3.472 3.881 ( -0.800 0.637 -0.326) 1.074 4.160 ( 0.354 1.031 -0.641) 1.264 4.478 ( 3.116 -4.427 2.638) 6.022 4.744 ( -0.885 -10.812 0.980) 10.892 5.286 ( -6.588 -2.658 -8.103) 10.776======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 3.673 9.555 -3.565) 10.839 1.864 ( 4.949 14.435 4.517) 15.914 1.974 ( 4.614 4.696 -2.564) 7.065 2.123 ( 4.096 8.117 -5.767) 10.767 2.676 ( 1.010 1.552 3.091) 3.603 3.104 ( 2.280 4.245 4.566) 6.638 3.784 ( 2.728 2.915 1.240) 4.181 3.889 ( 0.501 1.856 -0.619) 2.020 4.145 ( -1.429 -1.337 -1.233) 2.313 4.502 ( 3.978 -4.937 2.304) 6.746 4.638 ( -1.694 -6.053 -0.371) 6.297 5.102 ( -8.390 -2.882 -5.085) 10.226======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 5.258 10.116 -0.107) 11.401 2.011 ( -2.894 10.940 6.333) 12.968 2.173 ( 10.800 6.924 -4.441) 13.576 2.270 ( 4.658 7.710 -2.533) 9.357 2.681 ( 0.925 -3.577 0.678) 3.757 3.160 ( 0.237 0.841 0.614) 1.068 3.855 ( 1.717 2.184 1.351) 3.089 3.925 ( 0.996 2.357 -0.104) 2.561 4.093 ( -1.584 -2.075 -0.958) 2.781 4.526 ( 1.967 -3.987 1.584) 4.720 4.567 ( -2.299 1.725 -1.958) 3.478 4.937 ( -4.602 -5.132 -1.200) 6.997======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 2.375 9.322 1.429) 9.726 2.081 ( -1.145 8.452 2.065) 8.776 2.349 ( 1.584 4.473 1.758) 5.060 2.402 ( 4.055 4.073 -1.942) 6.067 2.667 ( 0.568 0.669 -4.512) 4.597 3.166 ( 2.543 -2.071 1.097) 3.458 3.888 ( 0.338 -0.037 0.319) 0.467 3.948 ( -1.327 2.336 0.326) 2.706 4.071 ( 1.649 -1.351 0.165) 2.138 4.467 ( -6.332 3.553 -1.070) 7.339 4.609 ( 3.881 0.156 0.273) 3.893 4.837 ( -0.373 -6.441 0.269) 6.458======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( -2.886 6.747 1.922) 7.586 2.156 ( 0.298 7.237 -0.412) 7.255 2.335 ( -3.151 -2.469 2.343) 4.638 2.453 ( 1.375 -1.975 -0.640) 2.490 2.682 ( -4.805 11.329 -6.338) 13.842 3.241 ( 7.117 -2.096 2.568) 7.851 3.862 ( -2.285 -0.923 -0.116) 2.467 3.950 ( -0.396 1.262 0.696) 1.494 4.110 ( 3.781 -1.834 0.837) 4.285 4.401 ( -6.305 6.570 -1.028) 9.164 4.670 ( 3.891 -2.645 0.434) 4.725 4.789 ( 0.884 -4.179 -0.194) 4.276======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 0.000 6.458 -8.182) 10.423 1.565 ( 0.000 6.541 -10.672) 12.517 1.996 ( -0.000 7.441 6.745) 10.043 2.052 ( 0.000 11.010 -5.650) 12.375 2.670 ( -0.000 7.761 7.542) 10.822 3.065 ( -0.000 6.152 7.573) 9.757 3.717 ( 0.000 3.191 0.077) 3.192 3.888 ( 0.000 -0.085 -0.319) 0.330 4.168 ( 0.000 0.919 -1.107) 1.439 4.394 ( -0.000 -8.357 4.886) 9.681 4.665 ( 0.000 -5.892 -1.907) 6.193 5.287 ( 0.000 -3.656 -7.398) 8.252======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( 1.667 6.937 -5.336) 8.910 1.710 ( 11.642 3.602 -11.068) 16.462 2.084 ( -0.763 8.371 6.204) 10.447 2.165 ( 1.415 10.837 -2.193) 11.146 2.714 ( -1.650 -0.277 5.793) 6.029 3.163 ( -0.168 7.934 5.483) 9.646 3.772 ( 2.292 3.288 0.639) 4.058 3.890 ( 0.455 0.526 -0.534) 0.877 4.156 ( -1.202 -0.737 -1.328) 1.937 4.358 ( 4.261 -8.659 3.911) 10.413 4.618 ( -0.712 -1.009 -2.195) 2.519 5.179 ( -5.411 -4.065 -5.426) 8.674======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( 6.450 8.000 -1.035) 10.329 1.932 ( 13.606 1.312 -8.887) 16.304 2.192 ( 1.167 10.388 5.639) 11.877 2.289 ( 2.124 8.350 -0.886) 8.662 2.667 ( -2.133 -4.523 5.175) 7.196 3.214 ( -2.726 4.961 0.207) 5.664 3.850 ( 2.257 2.729 1.268) 3.761 3.910 ( 1.534 0.267 -0.493) 1.633 4.114 ( -2.098 -0.455 -1.210) 2.464 4.387 ( 6.583 -6.608 2.027) 9.545 4.608 ( -0.923 2.539 -1.405) 3.045 5.008 ( -7.674 -4.140 -2.730) 9.137======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 6.573 7.214 0.003) 9.760 2.103 ( 6.121 2.083 -2.590) 6.965 2.360 ( 4.075 6.167 0.091) 7.392 2.386 ( 1.680 4.757 0.703) 5.094 2.627 ( 2.411 -1.563 4.219) 5.105 3.181 ( -4.100 2.265 -2.154) 5.156 3.885 ( 0.067 0.015 0.831) 0.834 3.951 ( 2.534 0.284 -0.319) 2.570 4.075 ( -2.398 1.068 -0.822) 2.751 4.457 ( 6.649 -3.675 1.023) 7.666 4.615 ( -1.925 3.384 -0.857) 3.987 4.841 ( -5.820 -3.698 -0.532) 6.916======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.010 ( 2.752 4.766 -0.000) 5.504 2.191 ( 2.033 3.521 0.000) 4.065 2.359 ( -2.449 -4.242 -0.000) 4.898 2.422 ( -0.003 -0.005 -0.000) 0.005 2.801 ( 6.556 11.355 -0.000) 13.112 3.140 ( -0.316 -0.547 -0.000) 0.631 3.879 ( -0.372 -0.644 -0.000) 0.743 3.971 ( -0.428 -0.742 -0.000) 0.856 4.057 ( 0.090 0.157 -0.000) 0.181 4.525 ( 0.938 1.624 -0.000) 1.876 4.597 ( -0.270 -0.468 -0.000) 0.540 4.752 ( -1.336 -2.314 -0.000) 2.671======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( 0.000 5.306 -4.312) 6.837 1.585 ( 0.000 3.450 -8.989) 9.628 2.172 ( -0.000 6.393 3.431) 7.255 2.256 ( 0.000 10.211 -0.717) 10.236 2.723 ( -0.000 -5.204 6.632) 8.430 3.273 ( -0.000 8.918 3.433) 9.556 3.784 ( 0.000 3.186 0.418) 3.214 3.886 ( 0.000 0.252 -0.656) 0.703 4.148 ( -0.000 -2.930 -0.466) 2.967 4.255 ( -0.000 -5.488 2.068) 5.865 4.626 ( 0.000 2.559 -1.833) 3.148 5.163 ( 0.000 -5.319 -4.320) 6.853======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( 4.466 5.818 -1.715) 7.533 1.713 ( 10.047 3.187 -4.614) 11.506 2.249 ( 1.693 5.151 1.562) 5.643 2.350 ( 0.415 7.793 0.090) 7.804 2.661 ( -1.561 -7.403 6.392) 9.904 3.327 ( -3.004 6.025 -1.046) 6.813 3.837 ( 2.361 2.576 0.487) 3.528 3.892 ( 0.381 -0.051 -0.366) 0.531 4.120 ( 0.726 -2.184 -0.140) 2.306 4.245 ( 2.818 -3.421 0.578) 4.470 4.656 ( -0.732 5.268 -0.868) 5.388 5.058 ( -4.263 -5.719 -2.466) 7.547======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( 7.511 3.820 -1.619) 8.581 1.948 ( 12.259 4.472 -0.315) 13.053 2.335 ( 2.982 2.022 -1.558) 3.926 2.427 ( 0.963 5.438 1.658) 5.766 2.586 ( -0.149 -6.361 6.352) 8.991 3.296 ( -4.973 4.247 -3.644) 7.486 3.884 ( -0.054 -1.877 -0.108) 1.881 3.905 ( 2.552 1.679 0.257) 3.065 4.127 ( -0.784 2.418 -1.183) 2.804 4.289 ( 6.869 -4.197 0.974) 8.108 4.688 ( -2.088 5.451 -0.321) 5.847 4.908 ( -5.833 -4.713 -0.674) 7.529======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 0.000 5.406 0.179) 5.409 1.663 ( 0.000 4.755 0.687) 4.804 2.269 ( 0.000 2.217 -0.727) 2.333 2.413 ( 0.000 5.039 0.291) 5.047 2.613 ( -0.000 -7.925 5.680) 9.751 3.395 ( 0.000 3.181 -4.394) 5.425 3.837 ( 0.000 1.626 0.151) 1.633 3.893 ( 0.000 0.745 -0.212) 0.775 4.068 ( -0.000 -3.910 1.503) 4.189 4.219 ( 0.000 0.455 -1.315) 1.392 4.729 ( 0.000 7.859 -0.078) 7.859 5.024 ( -0.000 -6.891 -1.344) 7.021======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 3.347 3.438 0.682) 4.846 1.823 ( 9.429 6.907 4.825) 12.645 2.291 ( 1.977 -0.665 -2.770) 3.468 2.450 ( 0.901 0.896 1.716) 2.136 2.551 ( -1.073 -5.354 4.046) 6.796 3.374 ( -2.167 1.189 -6.566) 7.015 3.855 ( 0.611 -0.717 -0.688) 1.167 3.903 ( 0.452 1.046 0.850) 1.421 4.088 ( 4.990 -1.011 1.095) 5.208 4.219 ( -0.385 0.506 -1.376) 1.516 4.795 ( -2.232 7.941 0.095) 8.249 4.927 ( -2.795 -6.224 0.057) 6.823======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( -0.000 4.025 4.515) 6.049 1.801 ( -0.000 7.884 6.917) 10.489 2.243 ( 0.000 -3.449 -4.124) 5.376 2.431 ( -0.000 -3.368 2.553) 4.226 2.536 ( -0.000 -2.365 1.780) 2.960 3.359 ( 0.000 -1.954 -8.966) 9.176 3.848 ( 0.000 -0.217 -0.278) 0.353 3.909 ( -0.000 0.425 0.358) 0.556 4.029 ( -0.000 -1.209 1.834) 2.196 4.233 ( 0.000 1.703 -1.803) 2.481 4.866 ( -0.000 -4.303 -0.396) 4.321 4.925 ( 0.000 6.857 1.345) 6.988======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( -0.000 -0.000 16.657) 16.657 0.716 ( -0.000 -0.000 16.657) 16.657 1.223 ( -0.000 -0.000 29.909) 29.909 1.900 ( 0.000 0.000 -6.947) 6.947 1.900 ( 0.000 0.000 -6.947) 6.947 3.323 ( 0.000 0.000 -19.415) 19.415 3.631 ( 0.000 0.000 -0.671) 0.671 3.631 ( 0.000 0.000 -0.671) 0.671 3.900 ( -0.000 -0.000 1.304) 1.304 3.900 ( -0.000 -0.000 1.304) 1.304 5.113 ( -0.000 -0.000 7.142) 7.142 5.838 ( 0.000 0.000 -1.484) 1.484======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( 1.384 0.799 15.679) 15.760 0.910 ( 5.570 3.216 18.190) 19.293 1.384 ( 6.419 3.706 12.464) 14.502 1.920 ( 6.436 3.716 -0.952) 7.493 1.938 ( 2.827 1.632 -6.546) 7.315 3.051 ( -6.623 -3.824 -9.854) 12.473 3.639 ( 0.571 0.329 -0.919) 1.131 3.892 ( -0.729 -0.421 1.450) 1.676 3.955 ( 7.770 4.486 1.311) 9.068 4.130 ( 21.737 12.550 -15.286) 29.388 5.125 ( -0.776 -0.448 5.693) 5.763 5.699 ( -10.895 -6.290 -0.962) 12.617======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( 6.863 3.962 11.647) 14.087 1.050 ( 2.013 1.162 18.578) 18.722 1.561 ( 9.686 5.592 -9.982) 14.991 1.990 ( 3.303 1.907 -5.724) 6.878 2.193 ( 14.466 8.352 9.125) 19.034 2.974 ( 1.283 0.741 -7.829) 7.968 3.654 ( 1.123 0.648 -1.266) 1.812 3.878 ( -0.830 -0.479 1.607) 1.871 4.104 ( 4.953 2.859 1.027) 5.810 4.473 ( 11.010 6.357 -10.669) 16.597 5.112 ( -1.590 -0.918 4.700) 5.046 5.379 ( -15.695 -9.061 -2.629) 18.312======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( 9.552 5.515 7.306) 13.230 1.153 ( 4.002 2.310 10.565) 11.531 1.784 ( 11.725 6.770 -8.022) 15.737 2.054 ( 3.646 2.105 -4.412) 6.099 2.548 ( 13.036 7.526 5.985) 16.198 3.038 ( 5.511 3.182 -3.900) 7.463 3.686 ( 2.043 1.179 -1.445) 2.766 3.866 ( -0.583 -0.336 1.620) 1.754 4.177 ( 1.462 0.844 -1.080) 2.004 4.589 ( 1.766 1.020 -4.464) 4.908 4.957 ( -17.214 -9.939 3.465) 20.177 5.131 ( -0.343 -0.198 -2.491) 2.523======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 7.012 4.048 5.329) 9.693 1.325 ( 9.535 5.505 3.553) 11.570 2.031 ( 10.977 6.338 -3.248) 13.085 2.129 ( 3.732 2.155 -2.515) 4.990 2.783 ( 6.124 3.536 0.314) 7.079 3.177 ( 6.240 3.603 -0.369) 7.215 3.738 ( 2.775 1.602 -1.368) 3.484 3.863 ( -0.091 -0.053 1.449) 1.453 4.177 ( -0.724 -0.418 -1.582) 1.789 4.548 ( -9.142 -5.278 -4.745) 11.574 4.603 ( -6.750 -3.897 2.668) 8.238 5.136 ( -0.244 -0.141 1.327) 1.356======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 7.721 4.458 1.228) 8.999 1.531 ( 7.704 4.448 0.267) 8.899 2.205 ( 3.044 1.758 -0.134) 3.518 2.255 ( 8.873 5.123 -0.749) 10.273 2.816 ( -2.922 -1.687 -3.298) 4.718 3.287 ( 3.132 1.808 2.026) 4.145 3.797 ( 2.539 1.466 -0.991) 3.095 3.871 ( 0.508 0.293 1.018) 1.175 4.145 ( -1.860 -1.074 -0.541) 2.215 4.291 ( -7.810 -4.509 -1.059) 9.080 4.606 ( 3.144 1.815 0.097) 3.632 5.107 ( -2.759 -1.593 1.361) 3.465======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 7.176 4.143 -3.335) 8.932 1.677 ( 5.380 3.106 -2.460) 6.682 2.256 ( 0.823 0.475 2.222) 2.416 2.415 ( 4.700 2.713 -0.253) 5.433 2.665 ( -7.436 -4.293 -5.429) 10.159 3.343 ( 0.719 0.415 6.776) 6.826 3.838 ( 1.086 0.627 -0.118) 1.259 3.891 ( 1.014 0.585 0.090) 1.174 4.080 ( -2.942 -1.698 -1.174) 3.594 4.209 ( -0.305 -0.176 0.984) 1.046 4.729 ( 7.128 4.115 -0.143) 8.231 5.017 ( -5.240 -3.025 0.315) 6.059======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( -0.000 7.207 15.383) 16.987 0.957 ( -0.000 9.214 10.327) 13.839 1.455 ( -0.000 7.067 17.052) 18.458 1.818 ( 0.000 -1.385 -5.792) 5.955 1.969 ( 0.000 7.395 -3.490) 8.177 3.025 ( 0.000 -7.380 -10.183) 12.576 3.624 ( 0.000 0.068 -0.427) 0.433 3.886 ( 0.000 8.122 -0.014) 8.123 3.908 ( -0.000 -0.216 0.912) 0.938 4.127 ( 0.000 21.798 -10.495) 24.193 5.142 ( -0.000 -1.316 5.278) 5.440 5.715 ( -0.000 -9.799 -1.899) 9.981======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( -1.049 10.647 10.384) 14.909 1.136 ( 3.048 8.562 14.601) 17.198 1.510 ( -1.440 7.111 -5.021) 8.823 1.904 ( 7.516 1.303 -5.156) 9.207 2.104 ( 7.653 9.718 6.506) 13.976 2.942 ( -0.208 -0.624 -7.645) 7.673 3.644 ( 1.311 0.857 -0.541) 1.657 3.875 ( -0.862 -0.766 0.571) 1.287 4.049 ( 5.912 4.058 2.057) 7.460 4.357 ( 7.791 13.070 -9.863) 18.133 5.126 ( -0.856 -3.177 4.485) 5.562 5.510 ( -10.208 -10.271 -3.296) 14.852======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 3.293 10.545 5.415) 12.303 1.258 ( -3.172 9.764 15.059) 18.226 1.642 ( 9.737 8.669 -8.790) 15.723 1.998 ( 4.338 2.593 -7.246) 8.835 2.417 ( 12.619 8.547 6.966) 16.758 2.968 ( 3.882 2.714 -4.156) 6.302 3.677 ( 1.052 2.297 -0.735) 2.632 3.861 ( 0.231 -1.257 0.713) 1.463 4.152 ( 2.397 1.542 -0.143) 2.854 4.534 ( 4.860 3.541 -4.572) 7.554 5.076 ( -2.709 -8.860 7.984) 12.230 5.191 ( -12.702 -4.324 -7.623) 15.432======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 5.513 8.884 2.435) 10.735 1.377 ( -0.573 13.223 11.233) 17.359 1.898 ( 11.259 8.153 -3.323) 14.293 2.080 ( 4.330 3.218 -5.822) 7.938 2.683 ( 8.992 3.862 0.683) 9.810 3.089 ( 6.703 3.308 -0.865) 7.525 3.725 ( 1.469 3.351 -0.871) 3.761 3.862 ( 0.484 -0.382 1.011) 1.184 4.172 ( 0.061 -0.626 -1.259) 1.407 4.569 ( -0.358 -0.496 -3.132) 3.192 4.773 ( -15.672 -8.689 0.553) 17.928 5.112 ( 1.130 -2.565 1.427) 3.145======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 5.100 8.498 2.740) 10.283 1.544 ( 1.201 12.847 5.619) 14.073 2.143 ( 8.571 5.604 -0.617) 10.259 2.180 ( 5.044 4.941 -3.318) 7.801 2.794 ( 2.446 -1.457 -2.749) 3.957 3.219 ( 5.670 0.818 -0.391) 5.742 3.786 ( 1.665 3.700 -0.855) 4.146 3.875 ( 0.276 0.755 1.211) 1.453 4.149 ( -0.618 -1.725 -0.655) 1.946 4.429 ( -12.208 -2.768 -3.021) 12.878 4.584 ( 0.312 -0.296 1.106) 1.186 5.101 ( 0.409 -4.653 2.447) 5.273======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( 3.068 7.317 2.061) 8.198 1.695 ( 1.392 11.540 -0.545) 11.636 2.255 ( 2.164 3.338 0.249) 3.985 2.353 ( 6.555 4.653 -0.460) 8.052 2.716 ( -5.395 -4.962 -5.601) 9.225 3.308 ( 4.693 -0.983 3.075) 5.696 3.841 ( 0.717 3.113 -0.400) 3.219 3.888 ( 0.135 0.614 0.598) 0.867 4.119 ( -1.414 -0.754 0.027) 1.603 4.252 ( -5.885 0.550 -0.830) 5.969 4.650 ( 5.380 2.286 0.379) 5.858 5.040 ( -2.144 -5.856 1.405) 6.392======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( -0.000 12.624 10.178) 16.216 1.179 ( 0.000 9.427 0.145) 9.428 1.659 ( 0.000 9.905 -7.255) 12.277 1.797 ( 0.000 1.535 0.126) 1.540 2.161 ( -0.000 10.931 7.910) 13.493 2.923 ( 0.000 1.065 -5.334) 5.439 3.631 ( 0.000 0.956 -0.186) 0.974 3.904 ( -0.000 -0.550 0.376) 0.666 4.036 ( -0.000 5.985 2.650) 6.546 4.394 ( 0.000 10.078 -5.724) 11.590 5.097 ( -0.000 -7.168 4.544) 8.487 5.485 ( 0.000 -9.222 -6.556) 11.315======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( -1.920 10.616 -0.019) 10.789 1.393 ( 6.614 10.408 5.329) 13.434 1.655 ( -3.453 11.657 -5.189) 13.219 1.907 ( 5.757 2.635 -6.407) 9.008 2.369 ( 6.648 11.333 9.496) 16.212 2.945 ( 1.368 3.717 -1.950) 4.415 3.667 ( 2.215 1.648 0.006) 2.760 3.871 ( -2.042 0.147 -0.069) 2.049 4.128 ( 2.627 2.476 1.221) 3.811 4.489 ( 3.368 3.907 -1.519) 5.377 5.013 ( -0.392 -12.156 5.580) 13.382 5.313 ( -8.188 -4.512 -8.938) 12.934======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( 2.939 10.115 -1.459) 10.634 1.590 ( -0.212 14.504 9.424) 17.298 1.804 ( 7.815 10.700 -2.874) 13.559 1.999 ( 5.222 2.748 -8.088) 10.012 2.599 ( 6.228 6.374 3.138) 9.448 3.033 ( 3.930 4.449 1.141) 6.045 3.729 ( 2.170 2.919 0.207) 3.643 3.856 ( -0.088 0.775 -0.243) 0.817 4.161 ( 0.171 -0.365 -0.434) 0.592 4.549 ( 1.549 -0.331 -0.573) 1.685 4.862 ( -4.720 -13.704 3.917) 15.014 5.121 ( -6.465 -0.949 -5.471) 8.522======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 5.088 10.593 0.296) 11.755 1.746 ( -3.076 16.234 10.248) 19.443 2.048 ( 9.939 6.653 -2.521) 12.222 2.114 ( 6.411 5.427 -5.939) 10.287 2.716 ( 3.622 -0.041 -1.123) 3.792 3.143 ( 3.954 1.893 0.344) 4.397 3.797 ( 1.666 3.803 -0.033) 4.152 3.879 ( 0.924 1.729 0.414) 2.004 4.138 ( -0.815 -2.138 -0.548) 2.352 4.544 ( -1.481 -0.081 -2.112) 2.581 4.631 ( -8.681 -5.979 0.742) 10.567 5.040 ( -0.033 -5.268 1.008) 5.363======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( 3.646 10.325 1.078) 11.002 1.861 ( -3.797 14.038 6.405) 15.890 2.232 ( 5.947 5.481 -2.923) 8.599 2.288 ( 6.639 6.212 -0.980) 9.144 2.710 ( -1.235 -4.111 -4.420) 6.162 3.212 ( 4.541 -1.413 0.806) 4.824 3.858 ( 1.324 3.348 -0.444) 3.627 3.905 ( -0.587 1.580 0.668) 1.813 4.107 ( 0.385 -2.136 0.369) 2.202 4.406 ( -9.601 1.721 -2.081) 9.974 4.597 ( 3.004 0.792 0.936) 3.244 4.987 ( 0.434 -7.702 1.770) 7.914======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( 0.000 8.091 -8.060) 11.420 1.380 ( 0.000 9.182 -1.802) 9.357 1.797 ( 0.000 11.832 -11.417) 16.442 1.889 ( -0.000 5.344 6.313) 8.271 2.471 ( -0.000 13.007 10.620) 16.792 2.978 ( 0.000 5.158 0.937) 5.242 3.663 ( 0.000 2.231 0.146) 2.236 3.893 ( 0.000 -0.508 -0.246) 0.564 4.135 ( -0.000 2.575 1.352) 2.908 4.486 ( -0.000 0.806 1.982) 2.139 4.893 ( -0.000 -14.736 3.241) 15.088 5.317 ( 0.000 -2.877 -9.760) 10.175======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.352 ( 0.236 8.555 -6.043) 10.477 1.569 ( 11.054 7.109 -7.766) 15.265 1.897 ( -0.285 13.523 -1.358) 13.594 1.972 ( 0.952 6.025 2.557) 6.614 2.630 ( 1.097 9.065 6.137) 11.002 3.051 ( 1.125 5.944 3.594) 7.036 3.712 ( 2.482 2.774 0.465) 3.751 3.877 ( -0.959 0.547 -0.593) 1.254 4.158 ( 0.060 0.281 0.098) 0.304 4.506 ( 2.185 -2.659 3.430) 4.859 4.755 ( -0.104 -13.649 1.388) 13.720 5.212 ( -5.886 -1.557 -7.897) 9.971======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 5.290 9.840 -1.973) 11.345 1.836 ( 14.500 6.489 -8.597) 18.062 2.003 ( -2.457 10.035 6.647) 12.285 2.091 ( 3.820 9.947 -1.086) 10.710 2.701 ( -0.558 2.163 2.258) 3.176 3.135 ( 0.892 4.127 2.217) 4.769 3.793 ( 2.837 3.191 0.697) 4.326 3.883 ( 0.645 1.860 -0.579) 2.052 4.137 ( -1.435 -1.604 -0.387) 2.187 4.523 ( 2.387 -3.267 2.339) 4.674 4.635 ( -1.171 -8.535 -0.268) 8.619 5.062 ( -6.665 -2.319 -3.625) 7.933======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( 5.918 10.251 -0.000) 11.837 2.049 ( 2.092 3.624 0.000) 4.184 2.144 ( 7.552 13.081 -0.000) 15.105 2.259 ( 4.661 8.073 -0.000) 9.321 2.684 ( -1.345 -2.329 -0.000) 2.690 3.163 ( 0.089 0.155 -0.000) 0.179 3.861 ( 1.401 2.426 -0.000) 2.801 3.925 ( 1.308 2.265 -0.000) 2.615 4.089 ( -1.288 -2.231 -0.000) 2.576 4.537 ( -2.018 -3.496 0.000) 4.037 4.555 ( 0.850 1.472 -0.000) 1.700 4.931 ( -3.194 -5.532 -0.000) 6.387======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 0.000 7.482 -7.346) 10.485 1.465 ( 0.000 5.229 -11.013) 12.191 2.017 ( 0.000 13.240 -2.081) 13.403 2.053 ( -0.000 6.678 5.721) 8.793 2.731 ( -0.000 6.504 5.728) 8.666 3.124 ( -0.000 7.375 5.350) 9.111 3.720 ( 0.000 3.232 0.529) 3.275 3.883 ( 0.000 -0.161 -0.761) 0.777 4.162 ( 0.000 0.120 -0.107) 0.161 4.444 ( -0.000 -8.401 5.850) 10.237 4.647 ( -0.000 -7.156 -2.161) 7.475 5.221 ( 0.000 -2.294 -6.976) 7.344======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( 3.297 8.167 -3.685) 9.547 1.615 ( 11.439 4.634 -9.519) 15.586 2.131 ( 0.074 7.845 3.504) 8.592 2.155 ( 1.410 10.906 0.688) 11.018 2.761 ( -2.234 0.443 4.532) 5.072 3.203 ( -1.274 6.461 3.148) 7.299 3.778 ( 2.481 3.324 0.737) 4.213 3.884 ( 0.482 0.590 -0.866) 1.153 4.148 ( -1.179 -1.008 -0.415) 1.606 4.396 ( 3.895 -10.153 4.128) 11.632 4.599 ( -0.508 -0.712 -2.014) 2.196 5.133 ( -4.839 -2.859 -4.479) 7.187======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 0.000 6.142 -5.384) 8.168 1.543 ( 0.000 7.112 -2.388) 7.503 2.196 ( -0.000 4.940 1.819) 5.264 2.253 ( 0.000 10.504 -0.096) 10.504 2.777 ( -0.000 -4.505 5.254) 6.921 3.293 ( 0.000 6.140 0.877) 6.202 3.790 ( 0.000 3.116 0.717) 3.198 3.880 ( 0.000 0.359 -0.865) 0.937 4.144 ( -0.000 -2.082 -0.248) 2.097 4.275 ( -0.000 -7.747 2.175) 8.046 4.612 ( 0.000 3.200 -1.224) 3.426 5.129 ( 0.000 -4.104 -3.215) 5.214======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( -0.000 -0.000 13.152) 13.152 0.853 ( -0.000 -0.000 13.152) 13.152 1.473 ( -0.000 -0.000 24.832) 24.832 1.838 ( 0.000 0.000 -6.654) 6.654 1.838 ( 0.000 0.000 -6.654) 6.654 3.150 ( 0.000 0.000 -18.087) 18.087 3.626 ( 0.000 0.000 -0.480) 0.480 3.626 ( 0.000 0.000 -0.480) 0.480 3.911 ( -0.000 -0.000 0.986) 0.986 3.911 ( -0.000 -0.000 0.986) 0.986 5.171 ( -0.000 -0.000 5.432) 5.432 5.825 ( 0.000 0.000 -1.332) 1.332======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( 0.907 0.524 13.712) 13.752 1.051 ( 8.766 5.061 12.147) 15.811 1.462 ( -4.821 -2.784 5.045) 7.513 1.876 ( 3.005 1.735 -6.968) 7.785 1.939 ( 10.969 6.333 4.838) 13.558 2.958 ( -5.209 -3.007 -10.023) 11.689 3.631 ( 0.416 0.240 -0.752) 0.893 3.904 ( -0.619 -0.357 1.145) 1.350 3.965 ( 12.786 7.382 0.562) 14.775 4.020 ( 14.830 8.562 -8.828) 19.266 5.171 ( -1.274 -0.736 4.157) 4.409 5.691 ( -10.771 -6.219 -0.859) 12.467======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( 5.411 3.124 11.879) 13.422 1.221 ( -0.679 -0.392 18.757) 18.774 1.461 ( 9.600 5.543 -11.680) 16.103 1.933 ( 3.758 2.170 -6.750) 8.025 2.265 ( 14.323 8.269 5.906) 17.562 2.907 ( 2.367 1.366 -6.359) 6.922 3.643 ( 0.995 0.575 -1.016) 1.534 3.891 ( -0.753 -0.435 1.272) 1.540 4.107 ( 4.207 2.429 -0.499) 4.884 4.391 ( 13.130 7.580 -7.006) 16.701 5.146 ( -1.378 -0.796 2.481) 2.947 5.367 ( -16.478 -9.514 0.189) 19.029======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 7.894 4.557 8.957) 12.779 1.255 ( 1.775 1.025 11.200) 11.386 1.728 ( 13.360 7.714 -3.873) 15.906 2.007 ( 4.411 2.547 -5.907) 7.800 2.578 ( 11.411 6.588 0.221) 13.178 3.005 ( 6.831 3.944 -3.012) 8.444 3.674 ( 1.994 1.151 -1.086) 2.545 3.879 ( -0.567 -0.328 1.271) 1.430 4.165 ( 1.202 0.694 -1.586) 2.108 4.548 ( 2.571 1.485 -4.442) 5.343 4.957 ( -17.059 -9.849 -2.837) 19.901 5.154 ( -0.360 -0.208 6.556) 6.570======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( 7.882 4.551 5.738) 10.759 1.373 ( 5.175 2.988 9.048) 10.843 2.012 ( 11.766 6.793 -0.832) 13.612 2.098 ( 4.816 2.781 -4.245) 6.997 2.771 ( 5.373 3.102 -2.900) 6.849 3.162 ( 6.823 3.939 -2.926) 8.404 3.727 ( 2.800 1.617 -0.974) 3.377 3.874 ( -0.143 -0.082 1.148) 1.160 4.166 ( -0.453 -0.262 -0.887) 1.030 4.498 ( -7.622 -4.401 -5.994) 10.649 4.626 ( -7.218 -4.167 2.437) 8.684 5.166 ( -0.861 -0.497 5.010) 5.108======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.963 ( -0.000 6.888 13.916) 15.527 1.024 ( -0.000 6.587 4.147) 7.784 1.555 ( -0.000 -0.782 4.458) 4.526 1.779 ( 0.000 -0.089 -2.422) 2.424 1.962 ( 0.000 10.679 2.308) 10.925 2.934 ( 0.000 -5.159 -9.285) 10.622 3.622 ( 0.000 0.102 -0.112) 0.152 3.889 ( 0.000 11.956 0.870) 11.988 3.914 ( -0.000 -0.312 0.420) 0.524 4.054 ( 0.000 17.041 -5.893) 18.031 5.182 ( -0.000 -1.715 3.438) 3.842 5.699 ( -0.000 -10.754 -1.560) 10.867======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( -1.120 7.219 8.416) 11.144 1.244 ( 9.685 7.608 8.401) 14.908 1.458 ( -7.068 4.027 -5.176) 9.642 1.853 ( 5.166 1.192 -5.207) 7.431 2.169 ( 8.809 11.249 6.416) 15.662 2.880 ( 0.281 0.939 -5.540) 5.626 3.640 ( 1.033 1.065 -0.300) 1.514 3.879 ( -0.708 -0.977 0.322) 1.249 4.067 ( 4.814 3.990 1.690) 6.477 4.286 ( 8.296 15.325 -5.657) 18.321 5.160 ( -0.854 -2.582 2.725) 3.850 5.485 ( -9.656 -12.662 -2.051) 16.055======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 3.797 6.339 5.592) 9.267 1.380 ( -3.837 8.650 10.407) 14.066 1.582 ( 12.047 10.175 -3.248) 16.100 1.932 ( 4.706 2.022 -6.854) 8.557 2.456 ( 10.266 8.511 1.283) 13.397 2.938 ( 4.432 4.370 -2.143) 6.583 3.672 ( 0.739 2.596 -0.530) 2.751 3.867 ( 0.636 -1.643 0.483) 1.827 4.148 ( 1.534 1.726 -0.744) 2.426 4.500 ( 4.777 5.132 -2.820) 7.558 5.123 ( -8.827 -2.722 -6.080) 11.059 5.153 ( -5.352 -11.772 7.823) 15.114======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( 6.196 6.419 4.586) 10.031 1.481 ( -1.531 12.939 11.101) 17.117 1.883 ( 11.856 8.661 0.142) 14.683 2.023 ( 5.595 2.716 -6.660) 9.112 2.672 ( 7.761 3.934 -3.035) 9.216 3.076 ( 6.192 4.262 -2.081) 7.800 3.717 ( 1.262 3.571 -0.696) 3.851 3.870 ( 0.790 -0.567 0.819) 1.271 4.162 ( -0.017 -0.338 -0.789) 0.858 4.538 ( -1.548 0.176 -3.561) 3.887 4.768 ( -14.484 -7.768 -1.284) 16.486 5.148 ( 1.888 -4.293 5.932) 7.562======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( 0.000 6.903 -6.221) 9.293 1.222 ( -0.000 8.595 11.838) 14.630 1.555 ( 0.000 6.257 -14.606) 15.890 1.819 ( -0.000 3.412 4.476) 5.629 2.241 ( -0.000 13.256 8.079) 15.524 2.881 ( 0.000 3.095 -3.521) 4.688 3.632 ( 0.000 0.975 0.239) 1.004 3.905 ( -0.000 -0.657 -0.202) 0.687 4.064 ( -0.000 5.423 3.396) 6.398 4.355 ( 0.000 13.020 -2.575) 13.273 5.134 ( -0.000 -5.973 3.309) 6.828 5.428 ( 0.000 -12.571 -5.776) 13.835======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( -0.066 7.033 -3.136) 7.701 1.421 ( 9.399 5.617 0.690) 10.972 1.601 ( -0.187 14.128 -6.253) 15.451 1.887 ( 1.408 3.784 2.188) 4.592 2.438 ( 4.421 11.744 5.229) 13.594 2.932 ( 1.685 5.809 -0.703) 6.089 3.668 ( 2.132 1.798 0.258) 2.801 3.870 ( -2.025 -0.075 -0.247) 2.041 4.139 ( 1.666 2.074 1.167) 2.905 4.484 ( 2.979 5.921 0.653) 6.660 5.066 ( 0.705 -12.359 6.119) 13.809 5.232 ( -7.889 -5.991 -8.905) 13.320======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.292 ( 4.848 8.397 -0.000) 9.696 1.638 ( 6.304 10.919 -0.000) 12.609 1.791 ( 6.793 11.766 -0.000) 13.586 1.957 ( 2.356 4.081 -0.000) 4.712 2.613 ( 3.895 6.746 -0.000) 7.790 3.039 ( 3.343 5.790 -0.000) 6.686 3.730 ( 1.879 3.255 -0.000) 3.759 3.855 ( 0.275 0.477 -0.000) 0.550 4.159 ( -0.203 -0.351 -0.000) 0.405 4.546 ( 0.340 0.589 -0.000) 0.680 4.882 ( -7.767 -13.452 -0.000) 15.533 5.094 ( -1.402 -2.429 0.000) 2.804======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( 0.000 7.986 -9.356) 12.301 1.342 ( 0.000 3.366 -7.118) 7.874 1.725 ( 0.000 15.119 -3.783) 15.585 1.949 ( -0.000 5.607 6.745) 8.771 2.549 ( -0.000 12.486 6.268) 13.970 2.986 ( 0.000 7.509 1.233) 7.609 3.666 ( 0.000 2.261 0.632) 2.347 3.889 ( 0.000 -0.601 -0.791) 0.993 4.149 ( -0.000 1.719 1.743) 2.448 4.511 ( -0.000 2.492 3.529) 4.320 4.924 ( -0.000 -16.984 3.711) 17.385 5.229 ( 0.000 -2.174 -9.385) 9.633======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -0.000 -0.000 7.610) 7.610 0.949 ( -0.000 -0.000 7.610) 7.610 1.659 ( -0.000 -0.000 15.288) 15.288 1.786 ( 0.000 0.000 -4.355) 4.355 1.786 ( 0.000 0.000 -4.355) 4.355 3.009 ( 0.000 0.000 -11.981) 11.981 3.622 ( 0.000 0.000 -0.247) 0.247 3.622 ( 0.000 0.000 -0.247) 0.247 3.917 ( -0.000 -0.000 0.527) 0.527 3.917 ( -0.000 -0.000 0.527) 0.527 5.209 ( -0.000 -0.000 2.945) 2.945 5.815 ( 0.000 0.000 -0.807) 0.807======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 1.524 0.880 9.769) 9.926 1.113 ( 10.305 5.950 0.910) 11.934 1.500 ( -9.744 -5.626 4.607) 12.158 1.817 ( 2.623 1.515 -5.756) 6.504 1.986 ( 12.211 7.050 3.899) 14.629 2.884 ( -3.724 -2.150 -5.365) 6.876 3.625 ( 0.273 0.158 -0.500) 0.591 3.912 ( -0.496 -0.287 0.678) 0.888 3.939 ( 19.661 11.351 -4.970) 23.240 3.993 ( 6.197 3.578 1.378) 7.287 5.198 ( -1.513 -0.873 1.808) 2.514 5.686 ( -10.495 -6.059 -0.201) 12.121======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 5.043 2.911 10.231) 11.772 1.324 ( -0.207 -0.119 -7.368) 7.371 1.415 ( 9.674 5.585 12.779) 16.973 1.871 ( 3.751 2.166 -6.608) 7.902 2.287 ( 12.986 7.497 -1.484) 15.068 2.869 ( 3.076 1.776 -1.453) 3.837 3.636 ( 0.900 0.520 -0.653) 1.228 3.900 ( -0.664 -0.383 0.775) 1.090 4.093 ( 4.105 2.370 -2.606) 5.409 4.351 ( 13.098 7.562 -1.832) 15.235 5.154 ( -3.082 -1.779 -0.891) 3.669 5.384 ( -14.293 -8.252 3.615) 16.895======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( 0.000 3.771 -3.439) 5.104 1.071 ( -0.000 9.079 9.193) 12.921 1.547 ( 0.000 -7.711 -4.700) 9.031 1.779 ( -0.000 1.707 2.286) 2.853 1.992 ( 0.000 13.047 2.451) 13.276 2.873 ( 0.000 -3.817 -3.213) 4.990 3.622 ( -0.000 0.186 0.203) 0.275 3.904 ( 0.000 16.789 2.636) 16.995 3.916 ( -0.000 -0.435 -0.132) 0.455 4.014 ( 0.000 12.040 -3.209) 12.460 5.202 ( -0.000 -1.829 0.920) 2.048 5.688 ( -0.000 -11.555 -0.755) 11.580======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 2.167 3.753 -0.000) 4.333 1.280 ( 7.137 12.361 -0.000) 14.273 1.434 ( -1.594 -2.762 0.000) 3.189 1.827 ( 1.587 2.748 -0.000) 3.173 2.201 ( 7.164 12.408 -0.000) 14.328 2.853 ( 0.820 1.421 -0.000) 1.641 3.639 ( 0.725 1.256 -0.000) 1.450 3.880 ( -0.618 -1.071 -0.000) 1.237 4.076 ( 2.669 4.622 -0.000) 5.337 4.259 ( 9.209 15.951 -0.000) 18.419 5.173 ( -1.173 -2.032 -0.000) 2.347 5.476 ( -8.272 -14.328 -0.000) 16.545======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.984 ( -0.000 -0.000 0.000) 0.000 0.984 ( -0.000 -0.000 0.000) 0.000 1.732 ( -0.000 -0.000 0.000) 0.000 1.765 ( -0.000 -0.000 0.000) 0.000 1.765 ( -0.000 -0.000 0.000) 0.000 2.952 ( -0.000 -0.000 0.000) 0.000 3.621 ( -0.000 -0.000 0.000) 0.000 3.621 ( -0.000 -0.000 0.000) 0.000 3.920 ( -0.000 -0.000 0.000) 0.000 3.920 ( -0.000 -0.000 0.000) 0.000 5.223 ( -0.000 -0.000 0.000) 0.000 5.811 ( -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 3/32928 10.0 362.375 362.375 774.207 -0.000 -0.000 0.000 3/32928 20.0 114.110 114.110 105.845 -0.000 -0.000 0.000 3/32928 30.0 54.108 54.108 40.768 -0.000 -0.000 0.000 3/32928 40.0 32.849 32.849 23.345 -0.000 -0.000 0.000 3/32928 50.0 23.145 23.145 16.109 -0.000 -0.000 0.000 3/32928 60.0 17.862 17.862 12.309 -0.000 -0.000 0.000 3/32928 70.0 14.598 14.598 9.999 -0.000 -0.000 0.000 3/32928 80.0 12.389 12.389 8.450 -0.000 -0.000 0.000 3/32928 90.0 10.794 10.794 7.337 -0.000 -0.000 0.000 3/32928 100.0 9.583 9.583 6.497 -0.000 -0.000 0.000 3/32928 110.0 8.630 8.630 5.837 -0.000 -0.000 0.000 3/32928 120.0 7.858 7.858 5.305 -0.000 -0.000 0.000 3/32928 130.0 7.218 7.218 4.866 -0.000 -0.000 0.000 3/32928 140.0 6.679 6.679 4.496 -0.000 -0.000 0.000 3/32928 150.0 6.218 6.218 4.181 -0.000 -0.000 0.000 3/32928 160.0 5.818 5.818 3.908 -0.000 -0.000 0.000 3/32928 170.0 5.468 5.468 3.669 -0.000 -0.000 0.000 3/32928 180.0 5.159 5.159 3.459 -0.000 -0.000 0.000 3/32928 190.0 4.883 4.883 3.272 -0.000 -0.000 0.000 3/32928 200.0 4.636 4.636 3.105 -0.000 -0.000 0.000 3/32928 210.0 4.414 4.414 2.954 -0.000 -0.000 0.000 3/32928 220.0 4.212 4.212 2.817 -0.000 -0.000 0.000 3/32928 230.0 4.028 4.028 2.693 -0.000 -0.000 0.000 3/32928 240.0 3.859 3.859 2.579 -0.000 -0.000 0.000 3/32928 250.0 3.705 3.705 2.475 -0.000 -0.000 0.000 3/32928 260.0 3.562 3.562 2.379 -0.000 -0.000 0.000 3/32928 270.0 3.430 3.430 2.290 -0.000 -0.000 0.000 3/32928 280.0 3.308 3.308 2.208 -0.000 -0.000 0.000 3/32928 290.0 3.194 3.194 2.131 -0.000 -0.000 0.000 3/32928 300.0 3.088 3.088 2.060 -0.000 -0.000 0.000 3/32928 310.0 2.989 2.989 1.993 -0.000 -0.000 0.000 3/32928 320.0 2.895 2.895 1.930 -0.000 -0.000 0.000 3/32928 330.0 2.808 2.808 1.872 -0.000 -0.000 0.000 3/32928 340.0 2.726 2.726 1.817 -0.000 -0.000 0.000 3/32928 350.0 2.648 2.648 1.765 -0.000 -0.000 0.000 3/32928 360.0 2.575 2.575 1.715 -0.000 -0.000 0.000 3/32928 370.0 2.506 2.506 1.669 -0.000 -0.000 0.000 3/32928 380.0 2.440 2.440 1.625 -0.000 -0.000 0.000 3/32928 390.0 2.378 2.378 1.583 -0.000 -0.000 0.000 3/32928 400.0 2.319 2.319 1.544 -0.000 -0.000 0.000 3/32928 410.0 2.263 2.263 1.506 -0.000 -0.000 0.000 3/32928 420.0 2.209 2.209 1.470 -0.000 -0.000 0.000 3/32928 430.0 2.158 2.158 1.436 -0.000 -0.000 0.000 3/32928 440.0 2.109 2.109 1.404 -0.000 -0.000 0.000 3/32928 450.0 2.063 2.063 1.372 -0.000 -0.000 0.000 3/32928 460.0 2.018 2.018 1.343 -0.000 -0.000 0.000 3/32928 470.0 1.975 1.975 1.314 -0.000 -0.000 0.000 3/32928 480.0 1.934 1.934 1.287 -0.000 -0.000 0.000 3/32928 490.0 1.895 1.895 1.260 -0.000 -0.000 0.000 3/32928 500.0 1.857 1.857 1.235 -0.000 -0.000 0.000 3/32928 510.0 1.821 1.821 1.211 -0.000 -0.000 0.000 3/32928 520.0 1.786 1.786 1.188 -0.000 -0.000 0.000 3/32928 530.0 1.753 1.753 1.166 -0.000 -0.000 0.000 3/32928 540.0 1.721 1.721 1.144 -0.000 -0.000 0.000 3/32928 550.0 1.689 1.689 1.123 -0.000 -0.000 0.000 3/32928 560.0 1.659 1.659 1.103 -0.000 -0.000 0.000 3/32928 570.0 1.631 1.631 1.084 -0.000 -0.000 0.000 3/32928 580.0 1.603 1.603 1.065 -0.000 -0.000 0.000 3/32928 590.0 1.576 1.576 1.047 -0.000 -0.000 0.000 3/32928 600.0 1.549 1.549 1.030 -0.000 -0.000 0.000 3/32928 610.0 1.524 1.524 1.013 -0.000 -0.000 0.000 3/32928 620.0 1.500 1.500 0.997 -0.000 -0.000 0.000 3/32928 630.0 1.476 1.476 0.981 -0.000 -0.000 0.000 3/32928 640.0 1.453 1.453 0.966 -0.000 -0.000 0.000 3/32928 650.0 1.431 1.431 0.951 -0.000 -0.000 0.000 3/32928 660.0 1.409 1.409 0.936 -0.000 -0.000 0.000 3/32928 670.0 1.388 1.388 0.922 -0.000 -0.000 0.000 3/32928 680.0 1.368 1.368 0.909 -0.000 -0.000 0.000 3/32928 690.0 1.348 1.348 0.896 -0.000 -0.000 0.000 3/32928 700.0 1.329 1.329 0.883 -0.000 -0.000 0.000 3/32928 710.0 1.311 1.311 0.871 -0.000 -0.000 0.000 3/32928 720.0 1.293 1.293 0.859 -0.000 -0.000 0.000 3/32928 730.0 1.275 1.275 0.847 -0.000 -0.000 0.000 3/32928 740.0 1.258 1.258 0.835 -0.000 -0.000 0.000 3/32928 750.0 1.241 1.241 0.824 -0.000 -0.000 0.000 3/32928 760.0 1.225 1.225 0.814 -0.000 -0.000 0.000 3/32928 770.0 1.209 1.209 0.803 -0.000 -0.000 0.000 3/32928 780.0 1.194 1.194 0.793 -0.000 -0.000 0.000 3/32928 790.0 1.179 1.179 0.783 -0.000 -0.000 0.000 3/32928 800.0 1.164 1.164 0.773 -0.000 -0.000 0.000 3/32928 810.0 1.150 1.150 0.763 -0.000 -0.000 0.000 3/32928 820.0 1.136 1.136 0.754 -0.000 -0.000 0.000 3/32928 830.0 1.122 1.122 0.745 -0.000 -0.000 0.000 3/32928 840.0 1.109 1.109 0.736 -0.000 -0.000 0.000 3/32928 850.0 1.096 1.096 0.728 -0.000 -0.000 0.000 3/32928 860.0 1.083 1.083 0.719 -0.000 -0.000 0.000 3/32928 870.0 1.071 1.071 0.711 -0.000 -0.000 0.000 3/32928 880.0 1.059 1.059 0.703 -0.000 -0.000 0.000 3/32928 890.0 1.047 1.047 0.695 -0.000 -0.000 0.000 3/32928 900.0 1.035 1.035 0.687 -0.000 -0.000 0.000 3/32928 910.0 1.024 1.024 0.680 -0.000 -0.000 0.000 3/32928 920.0 1.013 1.013 0.672 -0.000 -0.000 0.000 3/32928 930.0 1.002 1.002 0.665 -0.000 -0.000 0.000 3/32928 940.0 0.991 0.991 0.658 -0.000 -0.000 0.000 3/32928 950.0 0.981 0.981 0.651 -0.000 -0.000 0.000 3/32928 960.0 0.971 0.971 0.644 -0.000 -0.000 0.000 3/32928 970.0 0.961 0.961 0.638 -0.000 -0.000 0.000 3/32928 980.0 0.951 0.951 0.631 -0.000 -0.000 0.000 3/32928 990.0 0.942 0.942 0.625 -0.000 -0.000 0.000 3/32928 1000.0 0.932 0.932 0.619 -0.000 -0.000 0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:46:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|