# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/f7931c60-5b3f-48e7-952b-f06211307cf4/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 LiDySe2 / R-3m (166) / materials id 15795](https://mdr.nims.go.jp/datasets/e217ea90-cd26-408c-9d00-da9e90bfd023) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 01:43:18]-------------------------Compiled with OpenMP support (max 48 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 2.005075819292496 1.157631064014130 6.376595906666660 b -2.005075819292492 1.157631064014130 6.376595906666660 c 0.000000000000002 -2.315262128028263 6.376595906666660Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 Se 0.75174067320072 0.75174067320072 0.75174067320072 78.960 3 Se 0.24825932679928 0.24825932679928 0.24825932679928 78.960 *4 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.010151638584988 0.000000000000000 0.000000000000000 b -2.005075819292494 3.472893192042393 0.000000000000000 c 0.000000000000000 0.000000000000000 19.129787719999999Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 *4 Se 0.66666666666667 0.33333333333333 0.08507400653406 78.960 > 2 5 Se 0.00000000000000 0.00000000000000 0.24825932679928 78.960 > 3 6 Se 0.33333333333333 0.66666666666667 0.41840733986739 78.960 > 2 7 Se 0.66666666666667 0.33333333333333 0.58159266013261 78.960 > 3 8 Se 0.00000000000000 0.00000000000000 0.75174067320072 78.960 > 2 9 Se 0.33333333333333 0.66666666666667 0.91492599346594 78.960 > 3 *10 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 4 11 Dy 0.66666666666667 0.33333333333333 0.33333333333333 162.500 > 4 12 Dy 0.33333333333333 0.66666666666667 0.66666666666667 162.500 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.030454915754964 0.000000000000000 0.000000000000000 b -6.015227457877482 10.418679576127179 0.000000000000000 c 0.000000000000000 0.000000000000000 19.129787719999999Atomic positions (fractional): *1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 *28 Se 0.22222222222222 0.11111111111111 0.08507400653406 78.960 > 2 29 Se 0.55555555555556 0.11111111111111 0.08507400653406 78.960 > 2 30 Se 0.88888888888889 0.11111111111111 0.08507400653406 78.960 > 2 31 Se 0.22222222222222 0.44444444444444 0.08507400653406 78.960 > 2 32 Se 0.55555555555556 0.44444444444444 0.08507400653406 78.960 > 2 33 Se 0.88888888888889 0.44444444444444 0.08507400653406 78.960 > 2 34 Se 0.22222222222222 0.77777777777778 0.08507400653406 78.960 > 2 35 Se 0.55555555555556 0.77777777777778 0.08507400653406 78.960 > 2 36 Se 0.88888888888889 0.77777777777778 0.08507400653406 78.960 > 2 37 Se 0.00000000000000 0.00000000000000 0.24825932679928 78.960 > 3 38 Se 0.33333333333333 0.00000000000000 0.24825932679928 78.960 > 3 39 Se 0.66666666666667 0.00000000000000 0.24825932679928 78.960 > 3 40 Se 0.00000000000000 0.33333333333333 0.24825932679928 78.960 > 3 41 Se 0.33333333333333 0.33333333333333 0.24825932679928 78.960 > 3 42 Se 0.66666666666667 0.33333333333333 0.24825932679928 78.960 > 3 43 Se 0.00000000000000 0.66666666666667 0.24825932679928 78.960 > 3 44 Se 0.33333333333333 0.66666666666667 0.24825932679928 78.960 > 3 45 Se 0.66666666666667 0.66666666666667 0.24825932679928 78.960 > 3 46 Se 0.11111111111111 0.22222222222222 0.41840733986739 78.960 > 2 47 Se 0.44444444444444 0.22222222222222 0.41840733986739 78.960 > 2 48 Se 0.77777777777778 0.22222222222222 0.41840733986739 78.960 > 2 49 Se 0.11111111111111 0.55555555555556 0.41840733986739 78.960 > 2 50 Se 0.44444444444444 0.55555555555556 0.41840733986739 78.960 > 2 51 Se 0.77777777777778 0.55555555555556 0.41840733986739 78.960 > 2 52 Se 0.11111111111111 0.88888888888889 0.41840733986739 78.960 > 2 53 Se 0.44444444444444 0.88888888888889 0.41840733986739 78.960 > 2 54 Se 0.77777777777778 0.88888888888889 0.41840733986739 78.960 > 2 55 Se 0.22222222222222 0.11111111111111 0.58159266013261 78.960 > 3 56 Se 0.55555555555556 0.11111111111111 0.58159266013261 78.960 > 3 57 Se 0.88888888888889 0.11111111111111 0.58159266013261 78.960 > 3 58 Se 0.22222222222222 0.44444444444444 0.58159266013261 78.960 > 3 59 Se 0.55555555555556 0.44444444444444 0.58159266013261 78.960 > 3 60 Se 0.88888888888889 0.44444444444444 0.58159266013261 78.960 > 3 61 Se 0.22222222222222 0.77777777777778 0.58159266013261 78.960 > 3 62 Se 0.55555555555556 0.77777777777778 0.58159266013261 78.960 > 3 63 Se 0.88888888888889 0.77777777777778 0.58159266013261 78.960 > 3 64 Se 0.00000000000000 0.00000000000000 0.75174067320072 78.960 > 2 65 Se 0.33333333333333 0.00000000000000 0.75174067320072 78.960 > 2 66 Se 0.66666666666667 0.00000000000000 0.75174067320072 78.960 > 2 67 Se 0.00000000000000 0.33333333333333 0.75174067320072 78.960 > 2 68 Se 0.33333333333333 0.33333333333333 0.75174067320072 78.960 > 2 69 Se 0.66666666666667 0.33333333333333 0.75174067320072 78.960 > 2 70 Se 0.00000000000000 0.66666666666667 0.75174067320072 78.960 > 2 71 Se 0.33333333333333 0.66666666666667 0.75174067320072 78.960 > 2 72 Se 0.66666666666667 0.66666666666667 0.75174067320072 78.960 > 2 73 Se 0.11111111111111 0.22222222222222 0.91492599346594 78.960 > 3 74 Se 0.44444444444444 0.22222222222222 0.91492599346594 78.960 > 3 75 Se 0.77777777777778 0.22222222222222 0.91492599346594 78.960 > 3 76 Se 0.11111111111111 0.55555555555556 0.91492599346594 78.960 > 3 77 Se 0.44444444444444 0.55555555555556 0.91492599346594 78.960 > 3 78 Se 0.77777777777778 0.55555555555556 0.91492599346594 78.960 > 3 79 Se 0.11111111111111 0.88888888888889 0.91492599346594 78.960 > 3 80 Se 0.44444444444444 0.88888888888889 0.91492599346594 78.960 > 3 81 Se 0.77777777777778 0.88888888888889 0.91492599346594 78.960 > 3 *82 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 4 83 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 4 84 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 4 85 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 4 86 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 4 87 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 4 88 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 4 89 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 4 90 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 4 91 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 4 92 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 4 93 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 4 94 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 4 95 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 4 96 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 4 97 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 4 98 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 4 99 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 4 100 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 4 101 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 4 102 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 4 103 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 4 104 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 4 105 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 4 106 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 4 107 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 4 108 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.2591440 0.0000000 0.0000000 0.0000000 8.2591440 0.0000000 0.0000000 0.0000000 6.3538286-------------------------- Born effective charges -------------------------- 1 Li 1.2835678 -0.0000000 0.0000000 0.0000000 1.2835678 0.0000000 0.0000000 0.0000000 1.7244375 2 Se -2.9195298 -0.0000000 0.0000000 0.0000000 -2.9195298 0.0000000 0.0000000 0.0000000 -2.0447357 3 Se -2.9195298 -0.0000000 0.0000000 0.0000000 -2.9195298 0.0000000 0.0000000 0.0000000 -2.0447357 4 Dy 4.5554919 0.0000000 0.0000000 0.0000000 4.5554919 0.0000000 0.0000000 0.0000000 2.3650340----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.011Solver_block: 80 / 80 - Time: 0.125Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.137--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 01:43:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:43:23]-------------------------Compiled with OpenMP support (max 48 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 2.005075819292496 1.157631064014130 6.376595906666660 b -2.005075819292492 1.157631064014130 6.376595906666660 c 0.000000000000002 -2.315262128028263 6.376595906666660Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Se 0.75174067320072 0.75174067320072 0.75174067320072 78.960 3 Se 0.24825932679928 0.24825932679928 0.24825932679928 78.960 4 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500-------------------------------- supercell ---------------------------------Lattice vectors: a 12.030454915754964 0.000000000000000 0.000000000000000 b -6.015227457877482 10.418679576127179 0.000000000000000 c 0.000000000000000 0.000000000000000 19.129787719999999Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 Se 0.22222222222222 0.11111111111111 0.08507400653406 78.960 > 28 29 Se 0.55555555555556 0.11111111111111 0.08507400653406 78.960 > 28 30 Se 0.88888888888889 0.11111111111111 0.08507400653406 78.960 > 28 31 Se 0.22222222222222 0.44444444444444 0.08507400653406 78.960 > 28 32 Se 0.55555555555556 0.44444444444444 0.08507400653406 78.960 > 28 33 Se 0.88888888888889 0.44444444444444 0.08507400653406 78.960 > 28 34 Se 0.22222222222222 0.77777777777778 0.08507400653406 78.960 > 28 35 Se 0.55555555555556 0.77777777777778 0.08507400653406 78.960 > 28 36 Se 0.88888888888889 0.77777777777778 0.08507400653406 78.960 > 28 37 Se 0.00000000000000 0.00000000000000 0.24825932679928 78.960 > 37 38 Se 0.33333333333333 0.00000000000000 0.24825932679928 78.960 > 37 39 Se 0.66666666666667 0.00000000000000 0.24825932679928 78.960 > 37 40 Se 0.00000000000000 0.33333333333333 0.24825932679928 78.960 > 37 41 Se 0.33333333333333 0.33333333333333 0.24825932679928 78.960 > 37 42 Se 0.66666666666667 0.33333333333333 0.24825932679928 78.960 > 37 43 Se 0.00000000000000 0.66666666666667 0.24825932679928 78.960 > 37 44 Se 0.33333333333333 0.66666666666667 0.24825932679928 78.960 > 37 45 Se 0.66666666666667 0.66666666666667 0.24825932679928 78.960 > 37 46 Se 0.11111111111111 0.22222222222222 0.41840733986739 78.960 > 28 47 Se 0.44444444444444 0.22222222222222 0.41840733986739 78.960 > 28 48 Se 0.77777777777778 0.22222222222222 0.41840733986739 78.960 > 28 49 Se 0.11111111111111 0.55555555555556 0.41840733986739 78.960 > 28 50 Se 0.44444444444444 0.55555555555556 0.41840733986739 78.960 > 28 51 Se 0.77777777777778 0.55555555555556 0.41840733986739 78.960 > 28 52 Se 0.11111111111111 0.88888888888889 0.41840733986739 78.960 > 28 53 Se 0.44444444444444 0.88888888888889 0.41840733986739 78.960 > 28 54 Se 0.77777777777778 0.88888888888889 0.41840733986739 78.960 > 28 55 Se 0.22222222222222 0.11111111111111 0.58159266013261 78.960 > 37 56 Se 0.55555555555556 0.11111111111111 0.58159266013261 78.960 > 37 57 Se 0.88888888888889 0.11111111111111 0.58159266013261 78.960 > 37 58 Se 0.22222222222222 0.44444444444444 0.58159266013261 78.960 > 37 59 Se 0.55555555555556 0.44444444444444 0.58159266013261 78.960 > 37 60 Se 0.88888888888889 0.44444444444444 0.58159266013261 78.960 > 37 61 Se 0.22222222222222 0.77777777777778 0.58159266013261 78.960 > 37 62 Se 0.55555555555556 0.77777777777778 0.58159266013261 78.960 > 37 63 Se 0.88888888888889 0.77777777777778 0.58159266013261 78.960 > 37 64 Se 0.00000000000000 0.00000000000000 0.75174067320072 78.960 > 28 65 Se 0.33333333333333 0.00000000000000 0.75174067320072 78.960 > 28 66 Se 0.66666666666667 0.00000000000000 0.75174067320072 78.960 > 28 67 Se 0.00000000000000 0.33333333333333 0.75174067320072 78.960 > 28 68 Se 0.33333333333333 0.33333333333333 0.75174067320072 78.960 > 28 69 Se 0.66666666666667 0.33333333333333 0.75174067320072 78.960 > 28 70 Se 0.00000000000000 0.66666666666667 0.75174067320072 78.960 > 28 71 Se 0.33333333333333 0.66666666666667 0.75174067320072 78.960 > 28 72 Se 0.66666666666667 0.66666666666667 0.75174067320072 78.960 > 28 73 Se 0.11111111111111 0.22222222222222 0.91492599346594 78.960 > 37 74 Se 0.44444444444444 0.22222222222222 0.91492599346594 78.960 > 37 75 Se 0.77777777777778 0.22222222222222 0.91492599346594 78.960 > 37 76 Se 0.11111111111111 0.55555555555556 0.91492599346594 78.960 > 37 77 Se 0.44444444444444 0.55555555555556 0.91492599346594 78.960 > 37 78 Se 0.77777777777778 0.55555555555556 0.91492599346594 78.960 > 37 79 Se 0.11111111111111 0.88888888888889 0.91492599346594 78.960 > 37 80 Se 0.44444444444444 0.88888888888889 0.91492599346594 78.960 > 37 81 Se 0.77777777777778 0.88888888888889 0.91492599346594 78.960 > 37 82 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 82 83 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 82 84 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 82 85 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 82 86 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 82 87 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 82 88 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 82 89 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 82 90 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 82 91 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 82 92 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 82 93 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 82 94 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 82 95 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 82 96 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 82 97 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 82 98 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 82 99 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 82 100 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 82 101 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 82 102 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 82 103 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 82 104 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 82 105 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 82 106 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 82 107 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 82 108 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.2591440 0.0000000 0.0000000 0.0000000 8.2591440 0.0000000 0.0000000 0.0000000 6.3538286-------------------------- Born effective charges -------------------------- 1 Li 1.2835678 -0.0000000 0.0000000 0.0000000 1.2835678 0.0000000 0.0000000 0.0000000 1.7244375 2 Se -2.9195298 -0.0000000 0.0000000 0.0000000 -2.9195298 0.0000000 0.0000000 0.0000000 -2.0447357 3 Se -2.9195298 -0.0000000 0.0000000 0.0000000 -2.9195298 0.0000000 0.0000000 0.0000000 -2.0447357 4 Dy 4.5554919 0.0000000 0.0000000 0.0000000 4.5554919 0.0000000 0.0000000 0.0000000 2.3650340----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 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 2026-01-08 01:43:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:43:29]-------------------------Compiled with OpenMP support (max 48 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 2.005075819292496 1.157631064014130 6.376595906666660 b -2.005075819292492 1.157631064014130 6.376595906666660 c 0.000000000000002 -2.315262128028263 6.376595906666660Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Se 0.75174067320072 0.75174067320072 0.75174067320072 78.960 3 Se 0.24825932679928 0.24825932679928 0.24825932679928 78.960 4 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500-------------------------------- supercell ---------------------------------Lattice vectors: a 12.030454915754964 0.000000000000000 0.000000000000000 b -6.015227457877482 10.418679576127179 0.000000000000000 c 0.000000000000000 0.000000000000000 19.129787719999999Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 Se 0.22222222222222 0.11111111111111 0.08507400653406 78.960 > 28 29 Se 0.55555555555556 0.11111111111111 0.08507400653406 78.960 > 28 30 Se 0.88888888888889 0.11111111111111 0.08507400653406 78.960 > 28 31 Se 0.22222222222222 0.44444444444444 0.08507400653406 78.960 > 28 32 Se 0.55555555555556 0.44444444444444 0.08507400653406 78.960 > 28 33 Se 0.88888888888889 0.44444444444444 0.08507400653406 78.960 > 28 34 Se 0.22222222222222 0.77777777777778 0.08507400653406 78.960 > 28 35 Se 0.55555555555556 0.77777777777778 0.08507400653406 78.960 > 28 36 Se 0.88888888888889 0.77777777777778 0.08507400653406 78.960 > 28 37 Se 0.00000000000000 0.00000000000000 0.24825932679928 78.960 > 37 38 Se 0.33333333333333 0.00000000000000 0.24825932679928 78.960 > 37 39 Se 0.66666666666667 0.00000000000000 0.24825932679928 78.960 > 37 40 Se 0.00000000000000 0.33333333333333 0.24825932679928 78.960 > 37 41 Se 0.33333333333333 0.33333333333333 0.24825932679928 78.960 > 37 42 Se 0.66666666666667 0.33333333333333 0.24825932679928 78.960 > 37 43 Se 0.00000000000000 0.66666666666667 0.24825932679928 78.960 > 37 44 Se 0.33333333333333 0.66666666666667 0.24825932679928 78.960 > 37 45 Se 0.66666666666667 0.66666666666667 0.24825932679928 78.960 > 37 46 Se 0.11111111111111 0.22222222222222 0.41840733986739 78.960 > 28 47 Se 0.44444444444444 0.22222222222222 0.41840733986739 78.960 > 28 48 Se 0.77777777777778 0.22222222222222 0.41840733986739 78.960 > 28 49 Se 0.11111111111111 0.55555555555556 0.41840733986739 78.960 > 28 50 Se 0.44444444444444 0.55555555555556 0.41840733986739 78.960 > 28 51 Se 0.77777777777778 0.55555555555556 0.41840733986739 78.960 > 28 52 Se 0.11111111111111 0.88888888888889 0.41840733986739 78.960 > 28 53 Se 0.44444444444444 0.88888888888889 0.41840733986739 78.960 > 28 54 Se 0.77777777777778 0.88888888888889 0.41840733986739 78.960 > 28 55 Se 0.22222222222222 0.11111111111111 0.58159266013261 78.960 > 37 56 Se 0.55555555555556 0.11111111111111 0.58159266013261 78.960 > 37 57 Se 0.88888888888889 0.11111111111111 0.58159266013261 78.960 > 37 58 Se 0.22222222222222 0.44444444444444 0.58159266013261 78.960 > 37 59 Se 0.55555555555556 0.44444444444444 0.58159266013261 78.960 > 37 60 Se 0.88888888888889 0.44444444444444 0.58159266013261 78.960 > 37 61 Se 0.22222222222222 0.77777777777778 0.58159266013261 78.960 > 37 62 Se 0.55555555555556 0.77777777777778 0.58159266013261 78.960 > 37 63 Se 0.88888888888889 0.77777777777778 0.58159266013261 78.960 > 37 64 Se 0.00000000000000 0.00000000000000 0.75174067320072 78.960 > 28 65 Se 0.33333333333333 0.00000000000000 0.75174067320072 78.960 > 28 66 Se 0.66666666666667 0.00000000000000 0.75174067320072 78.960 > 28 67 Se 0.00000000000000 0.33333333333333 0.75174067320072 78.960 > 28 68 Se 0.33333333333333 0.33333333333333 0.75174067320072 78.960 > 28 69 Se 0.66666666666667 0.33333333333333 0.75174067320072 78.960 > 28 70 Se 0.00000000000000 0.66666666666667 0.75174067320072 78.960 > 28 71 Se 0.33333333333333 0.66666666666667 0.75174067320072 78.960 > 28 72 Se 0.66666666666667 0.66666666666667 0.75174067320072 78.960 > 28 73 Se 0.11111111111111 0.22222222222222 0.91492599346594 78.960 > 37 74 Se 0.44444444444444 0.22222222222222 0.91492599346594 78.960 > 37 75 Se 0.77777777777778 0.22222222222222 0.91492599346594 78.960 > 37 76 Se 0.11111111111111 0.55555555555556 0.91492599346594 78.960 > 37 77 Se 0.44444444444444 0.55555555555556 0.91492599346594 78.960 > 37 78 Se 0.77777777777778 0.55555555555556 0.91492599346594 78.960 > 37 79 Se 0.11111111111111 0.88888888888889 0.91492599346594 78.960 > 37 80 Se 0.44444444444444 0.88888888888889 0.91492599346594 78.960 > 37 81 Se 0.77777777777778 0.88888888888889 0.91492599346594 78.960 > 37 82 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 82 83 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 82 84 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 82 85 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 82 86 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 82 87 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 82 88 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 82 89 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 82 90 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 82 91 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 82 92 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 82 93 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 82 94 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 82 95 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 82 96 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 82 97 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 82 98 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 82 99 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 82 100 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 82 101 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 82 102 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 82 103 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 82 104 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 82 105 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 82 106 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 82 107 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 82 108 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.2591440 0.0000000 0.0000000 0.0000000 8.2591440 0.0000000 0.0000000 0.0000000 6.3538286-------------------------- Born effective charges -------------------------- 1 Li 1.2835678 -0.0000000 0.0000000 0.0000000 1.2835678 0.0000000 0.0000000 0.0000000 1.7244375 2 Se -2.9195298 -0.0000000 0.0000000 0.0000000 -2.9195298 0.0000000 0.0000000 0.0000000 -2.0447357 3 Se -2.9195298 -0.0000000 0.0000000 0.0000000 -2.9195298 0.0000000 0.0000000 0.0000000 -2.0447357 4 Dy 4.5554919 0.0000000 0.0000000 0.0000000 4.5554919 0.0000000 0.0000000 0.0000000 2.3650340----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 15 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.93, Number of G-points: 311, Lambda: 0.27Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.389 ( 16.951 9.787 4.656) 20.120 0.407 ( 17.893 10.330 1.752) 20.735 0.747 ( 32.391 18.701 4.293) 37.648 3.510 ( 0.654 0.377 0.920) 1.190 3.945 ( 1.776 1.025 -10.645) 10.841 3.984 ( -0.078 -0.045 -0.860) 0.865 4.104 ( 7.255 4.189 -0.561) 8.397 4.639 ( -2.814 -1.624 14.208) 14.574 5.028 ( -0.989 -0.571 -0.103) 1.146 5.515 ( 0.956 0.552 2.535) 2.765 7.416 ( 4.525 2.613 -51.134) 51.401 7.921 ( -14.253 -8.229 51.170) 53.751======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.784 ( 17.287 9.980 3.818) 20.323 0.800 ( 16.995 9.812 0.881) 19.644 1.451 ( 29.855 17.237 1.944) 34.528 3.538 ( 1.415 0.817 1.734) 2.383 3.980 ( 0.069 0.040 -1.237) 1.239 3.981 ( 3.804 2.196 -5.991) 7.428 4.292 ( 8.804 5.083 4.500) 11.118 4.614 ( -2.560 -1.478 5.628) 6.357 5.001 ( -1.291 -0.746 -0.185) 1.503 5.551 ( 1.099 0.634 3.466) 3.691 7.284 ( -7.007 -4.046 -11.270) 13.874 7.736 ( -10.893 -6.289 6.642) 14.224======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 15.030 8.678 -0.358) 17.359 1.175 ( 16.743 9.666 2.512) 19.495 2.067 ( 25.194 14.546 -1.017) 29.109 3.587 ( 2.395 1.383 2.364) 3.638 3.980 ( 0.314 0.181 -1.091) 1.150 4.061 ( 4.314 2.491 -1.538) 5.214 4.497 ( 5.180 2.991 9.290) 11.049 4.584 ( 0.897 0.518 1.345) 1.698 4.974 ( -0.667 -0.385 -1.745) 1.908 5.578 ( 0.305 0.176 2.402) 2.428 7.014 ( -16.342 -9.435 5.402) 19.628 7.510 ( -7.658 -4.422 -16.040) 18.316======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( 11.564 6.677 -1.670) 13.457 1.531 ( 14.551 8.401 1.037) 16.834 2.546 ( 18.332 10.584 -2.806) 21.353 3.662 ( 3.564 2.058 2.713) 4.929 3.985 ( 0.427 0.246 -0.645) 0.811 4.154 ( 3.711 2.142 3.552) 5.566 4.516 ( -0.807 -0.466 1.983) 2.191 4.714 ( 3.809 2.199 9.503) 10.472 4.982 ( 3.299 1.905 -3.745) 5.342 5.576 ( -0.937 -0.541 0.187) 1.098 6.616 ( -20.720 -11.962 5.752) 24.607 7.288 ( -6.232 -3.598 -22.964) 24.065======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 6.853 3.957 -2.464) 8.288 1.816 ( 10.862 6.271 -0.060) 12.543 2.861 ( 11.088 6.402 -1.720) 12.918 3.760 ( 4.380 2.529 2.506) 5.644 3.993 ( 0.320 0.184 -0.086) 0.379 4.249 ( 2.991 1.727 7.471) 8.231 4.521 ( 0.900 0.520 0.205) 1.060 4.765 ( 0.061 0.035 3.640) 3.640 5.101 ( 6.439 3.717 1.554) 7.596 5.541 ( -1.891 -1.091 -1.765) 2.807 6.163 ( -20.419 -11.789 -0.007) 23.577 7.079 ( -5.478 -3.163 -21.433) 22.347======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 2.593 1.497 -2.062) 3.635 2.009 ( 6.541 3.776 -0.405) 7.564 3.044 ( 5.983 3.454 0.522) 6.928 3.863 ( 3.942 2.276 1.478) 4.786 3.998 ( 0.010 0.006 0.472) 0.473 4.322 ( 0.852 0.492 7.994) 8.055 4.551 ( 1.717 0.991 -0.730) 2.113 4.800 ( 3.332 1.924 0.092) 3.848 5.218 ( 2.110 1.218 3.306) 4.107 5.489 ( -1.903 -1.099 -2.256) 3.149 5.747 ( -15.261 -8.811 -4.380) 18.158 6.908 ( -3.865 -2.231 -15.094) 15.740======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( 0.460 0.265 -0.745) 0.915 2.104 ( 2.173 1.254 -0.188) 2.516 3.136 ( 2.048 1.182 0.688) 2.463 3.933 ( 1.847 1.066 0.192) 2.141 3.996 ( -0.293 -0.169 0.550) 0.646 4.344 ( -0.281 -0.162 3.172) 3.189 4.581 ( 0.818 0.472 -0.255) 0.979 4.922 ( 6.790 3.920 1.240) 7.938 5.162 ( -6.974 -4.026 -0.836) 8.096 5.451 ( -0.804 -0.464 -1.012) 1.373 5.528 ( -3.170 -1.830 -1.794) 4.076 6.813 ( -1.374 -0.793 -5.421) 5.648======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.391 ( -0.000 18.692 5.062) 19.365 0.421 ( -0.000 19.819 4.949) 20.428 0.782 ( -0.000 36.227 10.268) 37.654 3.501 ( 0.000 0.308 -0.785) 0.844 3.956 ( 0.000 8.140 -14.184) 16.353 3.984 ( 0.000 0.001 -0.934) 0.934 4.024 ( 0.000 5.484 -4.951) 7.388 4.698 ( -0.000 -8.540 20.223) 21.952 5.028 ( -0.000 -1.153 0.212) 1.173 5.494 ( 0.000 0.120 -1.370) 1.375 7.205 ( 0.000 13.788 -50.329) 52.183 8.170 ( -0.000 -24.391 56.865) 61.875======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.686 ( 10.480 16.419 4.244) 19.935 0.709 ( 9.510 16.583 3.978) 19.526 1.299 ( 16.075 30.392 6.267) 34.947 3.522 ( 1.875 0.552 0.257) 1.971 3.900 ( -0.901 0.594 -3.864) 4.012 4.056 ( -1.030 7.643 -6.022) 9.785 4.168 ( 11.726 3.629 -0.953) 12.312 4.659 ( -2.445 -4.601 9.315) 10.673 5.010 ( -0.811 -1.142 0.428) 1.465 5.521 ( 2.794 -0.793 0.536) 2.953 7.188 ( 3.211 -1.371 -24.403) 24.651 7.974 ( -15.876 -11.839 26.515) 33.095======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( 11.844 13.359 0.798) 17.871 1.058 ( 12.707 14.572 4.237) 19.793 1.871 ( 18.939 23.187 1.492) 29.976 3.571 ( 2.349 1.497 1.566) 3.196 3.911 ( 3.094 -0.988 -1.355) 3.520 4.101 ( -0.500 8.325 -4.507) 9.480 4.409 ( 11.828 3.786 4.457) 13.195 4.599 ( -2.580 -3.239 3.370) 5.339 4.983 ( -1.362 -0.724 -0.340) 1.580 5.555 ( 2.045 -1.909 1.411) 3.134 7.083 ( -3.043 -9.531 -8.251) 12.969 7.652 ( -18.056 -5.823 3.459) 19.284======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( 10.862 9.656 -1.103) 14.575 1.419 ( 12.407 13.611 2.506) 18.587 2.359 ( 16.979 15.746 -1.870) 23.232 3.640 ( 2.902 2.467 2.340) 4.471 3.958 ( 2.824 0.413 -0.244) 2.865 4.172 ( 1.148 7.322 -0.580) 7.434 4.533 ( -1.657 -2.197 3.015) 4.082 4.659 ( 9.600 2.516 7.355) 12.353 4.955 ( -0.393 0.426 -3.297) 3.347 5.556 ( 0.692 -3.278 0.433) 3.378 6.835 ( -13.409 -12.320 3.332) 18.512 7.319 ( -13.259 -3.336 -15.658) 20.787======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( 8.037 5.927 -2.506) 10.295 1.735 ( 9.750 12.072 0.862) 15.542 2.718 ( 12.971 8.721 -2.236) 15.789 3.731 ( 3.660 3.114 2.543) 5.437 3.999 ( 0.617 2.220 -0.426) 2.343 4.273 ( 2.037 6.443 4.426) 8.078 4.511 ( 0.245 -0.924 0.792) 1.241 4.778 ( 0.278 -0.987 5.615) 5.707 5.018 ( 7.409 3.121 -0.977) 8.098 5.521 ( -0.283 -4.251 -1.073) 4.393 6.442 ( -21.708 -8.951 3.138) 23.690 7.052 ( -6.640 -4.469 -21.141) 22.606======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( 4.406 2.656 -2.798) 5.856 1.973 ( 5.773 10.001 -0.074) 11.548 2.951 ( 8.778 3.841 -0.582) 9.599 3.834 ( 3.772 3.360 1.985) 5.427 4.020 ( -0.777 2.586 0.012) 2.700 4.373 ( -0.125 5.033 7.122) 8.721 4.526 ( 1.844 0.329 -0.895) 2.076 4.776 ( 0.874 0.346 0.220) 0.965 5.166 ( 6.041 -0.018 1.956) 6.350 5.471 ( -0.327 -3.075 -1.222) 3.325 6.007 ( -22.367 -3.535 -1.986) 22.732 6.865 ( -2.436 -5.059 -16.171) 17.118======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( 1.717 0.762 -1.917) 2.684 2.117 ( 1.456 7.635 -0.160) 7.774 3.085 ( 4.857 0.762 -0.237) 4.922 3.925 ( 2.384 3.458 0.557) 4.237 4.023 ( -1.621 1.801 0.734) 2.532 4.395 ( -3.059 2.372 3.243) 5.050 4.567 ( 1.723 1.090 -0.104) 2.041 4.852 ( 5.951 3.328 0.864) 6.873 5.176 ( -1.295 -6.751 -1.985) 7.155 5.468 ( 0.472 2.275 1.313) 2.669 5.666 ( -14.916 1.425 -3.159) 15.313 6.768 ( 1.036 -4.145 -6.959) 8.166======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 0.533 0.043 -0.585) 0.792 2.167 ( -2.892 5.188 0.226) 5.944 3.124 ( 0.873 -1.798 -1.804) 2.692 3.971 ( -1.470 2.919 -0.483) 3.304 4.007 ( -1.056 0.558 0.150) 1.204 4.370 ( -2.740 2.795 -2.054) 4.420 4.587 ( -0.086 0.079 0.257) 0.283 4.974 ( -1.598 -1.666 0.235) 2.321 5.073 ( 3.919 -1.196 -0.532) 4.132 5.503 ( -4.804 4.315 -0.115) 6.458 5.541 ( 0.545 4.098 1.503) 4.399 6.772 ( 4.137 -2.728 3.456) 6.042======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( -0.696 -0.780 0.736) 1.278 2.121 ( -7.330 2.657 0.664) 7.825 3.073 ( -2.590 -3.848 -2.521) 5.279 3.915 ( -4.625 -1.012 -1.156) 4.873 4.015 ( -0.667 2.485 -0.854) 2.711 4.345 ( -2.796 4.029 -5.946) 7.707 4.569 ( -1.376 -1.013 0.061) 1.710 4.849 ( -5.272 -3.097 0.314) 6.122 5.183 ( 3.995 -1.277 -0.481) 4.221 5.467 ( -0.569 -0.194 1.186) 1.330 5.699 ( 6.953 12.898 3.010) 14.959 6.873 ( 6.771 -1.331 12.681) 14.437======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( -4.020 -2.509 1.492) 4.969 1.977 ( -11.859 -0.125 0.690) 11.879 2.951 ( -6.207 -5.456 -0.591) 8.285 3.812 ( -5.058 -1.956 -2.167) 5.840 4.017 ( -1.618 2.282 -0.682) 2.879 4.302 ( -4.707 4.278 -6.473) 9.075 4.531 ( -1.454 -1.508 0.019) 2.095 4.766 ( -2.269 -1.413 -1.566) 3.098 5.145 ( -3.643 -3.791 -1.767) 5.547 5.492 ( 3.184 -1.864 2.529) 4.473 6.020 ( 13.323 15.444 0.776) 20.412 7.051 ( 8.428 -0.019 18.593) 20.414======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( -9.180 -4.369 1.185) 10.236 1.731 ( -15.998 -2.844 0.016) 16.249 2.740 ( -13.069 -6.949 1.925) 14.926 3.705 ( -4.623 -1.518 -2.360) 5.408 3.997 ( -2.071 0.496 -0.874) 2.302 4.236 ( -5.701 4.360 -2.709) 7.671 4.503 ( -0.140 -0.866 -0.766) 1.164 4.705 ( -2.130 -2.308 -7.659) 8.277 5.035 ( -4.201 -2.976 1.908) 5.491 5.533 ( 3.001 -2.273 1.123) 3.929 6.409 ( 16.566 13.348 -3.179) 21.510 7.269 ( 8.669 1.234 19.786) 21.637======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( -14.111 -5.090 0.347) 15.005 1.400 ( -18.920 -4.395 -0.946) 19.446 2.380 ( -22.783 -7.563 2.018) 24.090 3.617 ( -3.565 -0.865 -2.032) 4.193 3.955 ( -1.211 -2.310 -0.771) 2.719 4.186 ( -5.863 5.295 1.955) 8.138 4.492 ( -0.976 -1.233 -5.089) 5.326 4.591 ( -2.986 -3.766 -5.194) 7.076 4.985 ( -1.116 -0.429 2.391) 2.673 5.550 ( 1.468 -2.049 -0.818) 2.650 6.787 ( 17.472 8.878 -5.253) 20.290 7.488 ( 7.766 2.339 15.868) 17.821======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( -20.299 -3.805 -1.207) 20.687 1.030 ( -17.745 -3.967 -0.366) 18.186 1.865 ( -31.151 -6.020 0.469) 31.731 3.556 ( -2.363 -0.429 -1.250) 2.707 3.920 ( 0.377 -2.927 0.297) 2.966 4.149 ( -6.429 5.664 4.379) 9.623 4.347 ( -6.974 -5.445 -7.067) 11.324 4.576 ( 1.725 0.058 -0.933) 1.962 4.989 ( 0.688 0.234 0.541) 0.906 5.539 ( -0.128 -1.312 -1.585) 2.061 7.114 ( 16.055 3.649 -2.589) 16.667 7.671 ( 6.245 2.557 7.093) 9.790======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( -20.437 0.000 0.000) 20.437 0.691 ( -19.981 0.000 0.000) 19.981 1.265 ( -36.264 0.000 0.000) 36.264 3.521 ( -1.326 0.000 0.000) 1.326 3.921 ( 1.477 -0.000 -0.000) 1.477 4.096 ( -5.742 0.000 0.000) 5.742 4.173 ( -7.113 0.000 0.000) 7.113 4.599 ( 1.197 -0.000 -0.000) 1.197 5.009 ( 1.389 -0.000 -0.000) 1.389 5.519 ( -0.894 0.000 0.000) 0.894 7.370 ( 12.799 -0.000 -0.000) 12.799 7.780 ( 3.900 -0.000 -0.000) 3.900======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( -0.000 19.344 4.188) 19.792 0.823 ( -0.000 18.470 4.203) 18.942 1.518 ( -0.000 33.614 7.104) 34.357 3.506 ( 0.000 0.991 -1.063) 1.453 3.974 ( 0.000 -0.030 -1.858) 1.858 4.030 ( 0.000 5.517 -3.063) 6.310 4.118 ( 0.000 8.268 -6.897) 10.767 4.657 ( -0.000 -5.545 6.664) 8.669 5.009 ( -0.000 -0.995 0.949) 1.375 5.490 ( 0.000 0.858 -1.919) 2.102 7.066 ( 0.000 -4.498 -15.752) 16.382 8.076 ( -0.000 -13.655 21.739) 25.672======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 5.235 17.168 2.351) 18.102 1.060 ( 7.166 17.312 4.410) 19.248 1.913 ( 7.528 28.846 3.363) 30.001 3.542 ( 2.901 1.604 -0.058) 3.316 3.900 ( -2.653 1.208 -1.735) 3.393 4.170 ( -0.120 7.740 -4.927) 9.176 4.232 ( 12.982 3.596 -0.449) 13.478 4.609 ( -1.591 -4.652 3.030) 5.776 4.998 ( -0.903 -0.388 0.520) 1.112 5.510 ( 1.572 0.095 -1.020) 1.876 6.960 ( 0.627 -11.070 -8.339) 13.874 7.899 ( -13.661 -8.707 10.468) 19.288======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.291 ( 6.650 12.531 0.429) 14.193 1.391 ( 10.043 16.932 3.513) 19.997 2.304 ( 9.652 20.591 -0.833) 22.757 3.622 ( 3.419 2.711 1.667) 4.671 3.914 ( 2.807 1.759 -1.010) 3.463 4.228 ( 0.254 7.735 -3.335) 8.427 4.494 ( 13.865 1.696 4.368) 14.636 4.548 ( -1.652 -3.249 0.954) 3.767 4.972 ( -1.881 0.306 -1.547) 2.455 5.519 ( 0.397 -1.607 -0.174) 1.664 6.806 ( -1.708 -14.700 -4.043) 15.342 7.565 ( -20.136 -4.126 -1.043) 20.581======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 6.311 8.182 -1.632) 10.461 1.722 ( 9.057 16.003 2.252) 18.526 2.614 ( 9.652 11.812 -2.097) 15.397 3.714 ( 3.261 3.314 2.755) 5.404 3.992 ( 3.345 2.999 -1.758) 4.824 4.315 ( 2.214 7.659 0.389) 7.982 4.506 ( -0.741 -1.543 0.773) 1.878 4.726 ( 9.199 -1.107 6.885) 11.543 4.948 ( 0.799 1.569 -4.664) 4.985 5.492 ( -0.948 -2.396 0.172) 2.583 6.594 ( -6.705 -13.445 -0.569) 15.035 7.173 ( -19.666 -2.152 -11.171) 22.719======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 4.551 4.286 -2.728) 6.821 2.000 ( 5.697 14.672 0.930) 15.767 2.843 ( 8.692 5.387 -0.605) 10.244 3.813 ( 3.585 3.358 3.092) 5.804 4.052 ( 0.850 3.500 -2.128) 4.183 4.444 ( 2.842 7.573 3.498) 8.812 4.496 ( 0.249 -0.384 -0.186) 0.494 4.779 ( -0.555 -0.810 1.581) 1.861 5.033 ( 7.931 -1.780 -2.806) 8.599 5.462 ( -0.719 -0.079 1.322) 1.507 6.313 ( -15.857 -6.438 1.202) 17.156 6.839 ( -10.021 -4.170 -15.094) 18.591======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 2.535 1.746 -2.505) 3.969 2.194 ( 1.424 12.707 0.298) 12.790 3.001 ( 6.216 1.489 0.233) 6.396 3.915 ( 3.389 3.490 2.482) 5.461 4.074 ( -1.260 2.863 -1.073) 3.307 4.487 ( -2.211 2.123 -1.247) 3.309 4.552 ( 1.533 3.646 3.321) 5.164 4.803 ( 3.350 2.697 0.146) 4.303 5.074 ( 3.615 -7.107 -5.047) 9.437 5.494 ( 0.981 4.159 2.893) 5.160 5.978 ( -19.873 0.891 -0.780) 19.908 6.671 ( 0.246 -6.040 -8.311) 10.277======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 1.195 0.619 -1.520) 2.030 2.294 ( -2.897 10.425 0.551) 10.834 3.073 ( 2.486 -1.382 -1.204) 3.089 4.001 ( 1.883 3.532 0.720) 4.067 4.052 ( -3.286 0.957 -0.486) 3.457 4.460 ( -3.577 4.641 -3.103) 6.631 4.591 ( -0.177 0.783 1.686) 1.868 4.929 ( 6.332 2.774 1.934) 7.178 5.010 ( 0.055 -6.210 -4.534) 7.690 5.577 ( 1.721 6.112 1.986) 6.653 5.708 ( -14.326 4.402 -0.729) 15.005 6.656 ( 5.607 -5.470 1.393) 7.956======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( 0.290 -0.042 -0.403) 0.498 2.301 ( -7.367 7.977 1.193) 10.924 3.053 ( -0.859 -3.629 -3.043) 4.814 3.970 ( -4.158 -2.519 -1.846) 5.200 4.059 ( -0.577 5.023 -0.177) 5.059 4.442 ( -3.847 6.856 -4.260) 8.941 4.579 ( -1.251 -1.101 -0.009) 1.666 4.900 ( -3.745 -3.370 -0.413) 5.055 5.085 ( 6.345 -0.485 2.076) 6.693 5.541 ( -7.079 1.488 -0.593) 7.258 5.735 ( 4.319 12.077 1.486) 12.912 6.751 ( 8.938 -4.390 9.463) 13.737======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -1.660 -1.091 0.423) 2.031 2.206 ( -12.176 4.922 1.433) 13.211 2.968 ( -2.907 -4.811 -2.744) 6.255 3.862 ( -4.475 -2.890 -2.248) 5.782 4.083 ( -2.182 4.900 -0.601) 5.398 4.425 ( -4.832 7.330 -4.766) 9.989 4.538 ( -1.556 -1.868 -0.179) 2.437 4.808 ( -4.530 -1.745 0.813) 4.922 5.129 ( 0.749 -3.916 0.144) 3.990 5.470 ( -1.994 -0.280 1.238) 2.364 5.982 ( 9.334 13.994 -0.228) 16.823 6.927 ( 11.292 -2.991 14.062) 18.281======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( -5.745 -2.166 0.526) 6.162 1.999 ( -16.608 1.408 0.796) 16.687 2.845 ( -6.162 -4.565 -0.424) 7.680 3.758 ( -4.342 -1.809 -1.754) 5.020 4.070 ( -4.230 3.401 -0.798) 5.486 4.384 ( -5.979 5.886 -1.930) 8.609 4.501 ( -1.022 -0.707 -0.077) 1.244 4.712 ( -4.513 -2.574 -3.543) 6.288 5.066 ( -2.533 -3.545 0.463) 4.382 5.470 ( 1.856 -1.628 1.659) 2.975 6.285 ( 12.281 11.262 -1.906) 16.772 7.154 ( 12.094 -1.200 13.654) 18.279======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( -10.855 -2.052 0.143) 11.048 1.699 ( -19.591 -0.710 0.032) 19.604 2.647 ( -14.133 -3.087 0.830) 14.490 3.671 ( -4.194 -0.681 -0.974) 4.359 4.001 ( -5.428 0.545 -0.853) 5.522 4.342 ( -5.194 4.848 2.299) 7.468 4.492 ( -0.960 1.033 -0.652) 1.554 4.580 ( -3.937 -5.040 -5.853) 8.669 5.011 ( -1.761 -0.949 1.295) 2.383 5.497 ( 2.409 -1.413 0.383) 2.819 6.582 ( 14.362 5.688 -2.126) 15.593 7.385 ( 11.143 0.224 8.335) 13.917======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.288 ( -15.186 0.000 0.000) 15.186 1.354 ( -20.854 0.000 0.000) 20.854 2.311 ( -24.451 0.000 0.000) 24.451 3.601 ( -3.510 0.000 0.000) 3.510 3.926 ( -2.834 0.000 0.000) 2.834 4.296 ( -5.380 0.000 0.000) 5.380 4.406 ( -6.377 0.000 0.000) 6.377 4.544 ( 1.735 -0.000 -0.000) 1.735 4.990 ( -0.650 0.000 0.000) 0.650 5.521 ( 1.245 -0.000 -0.000) 1.245 6.857 ( 16.045 -0.000 -0.000) 16.045 7.570 ( 8.895 -0.000 -0.000) 8.895======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( -0.000 15.818 2.673) 16.043 1.188 ( -0.000 19.267 3.120) 19.518 2.149 ( -0.000 27.951 2.444) 28.058 3.528 ( 0.000 2.117 -0.899) 2.300 3.961 ( 0.000 0.283 -2.107) 2.126 4.109 ( -0.000 2.764 1.673) 3.231 4.237 ( 0.000 8.890 -6.137) 10.803 4.585 ( -0.000 -4.442 1.404) 4.659 5.008 ( -0.000 0.382 0.297) 0.484 5.505 ( 0.000 2.030 -1.605) 2.588 6.810 ( 0.000 -14.809 -4.122) 15.372 7.961 ( -0.000 -8.759 7.526) 11.548======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( 2.271 13.095 1.175) 13.342 1.434 ( 6.222 18.180 2.805) 19.419 2.416 ( 2.129 21.734 -0.765) 21.851 3.587 ( 4.022 3.127 0.087) 5.096 3.916 ( -1.949 1.353 -1.046) 2.593 4.246 ( 7.635 0.928 0.373) 7.700 4.326 ( 5.031 7.765 -2.118) 9.492 4.543 ( -0.871 -2.894 0.645) 3.090 5.003 ( -1.356 1.077 -1.160) 2.084 5.519 ( -0.420 1.599 -0.795) 1.835 6.646 ( 0.328 -17.318 -2.762) 17.540 7.799 ( -12.149 -6.096 2.030) 13.743======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( 3.064 9.132 -0.851) 9.670 1.743 ( 8.826 17.045 2.542) 19.363 2.622 ( 3.272 13.361 -2.361) 13.957 3.699 ( 4.088 3.960 2.068) 6.056 3.941 ( 3.485 1.594 -2.164) 4.401 4.345 ( 2.829 5.154 -0.811) 5.935 4.492 ( 3.426 -2.096 -0.724) 4.081 4.555 ( 8.013 2.340 3.954) 9.236 4.975 ( -2.566 1.684 -3.306) 4.511 5.511 ( -1.731 0.877 0.711) 2.066 6.476 ( 0.395 -16.526 -3.210) 16.839 7.478 ( -19.987 -3.346 -3.394) 20.547======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( 3.004 5.255 -2.369) 6.500 2.051 ( 7.431 16.300 1.817) 18.006 2.779 ( 5.244 6.518 -0.887) 8.412 3.803 ( 2.998 3.542 3.855) 6.033 4.022 ( 4.724 2.005 -4.033) 6.527 4.434 ( 2.224 1.796 0.524) 2.906 4.518 ( 2.379 3.716 0.060) 4.413 4.724 ( 7.119 -1.261 2.771) 7.742 4.940 ( -0.962 1.361 -5.481) 5.729 5.500 ( -1.460 2.175 2.493) 3.616 6.328 ( -0.073 -12.653 -2.212) 12.845 7.073 ( -22.562 -1.675 -7.524) 23.842======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 2.412 2.541 -2.638) 4.386 2.298 ( 3.188 15.172 0.863) 15.528 2.917 ( 6.042 2.168 0.982) 6.494 3.901 ( 3.333 3.041 4.404) 6.305 4.091 ( 2.049 2.659 -3.263) 4.682 4.458 ( 2.119 -1.254 -2.157) 3.274 4.621 ( 1.452 5.768 2.924) 6.628 4.790 ( 2.045 1.602 0.356) 2.622 4.925 ( 2.361 -3.581 -7.537) 8.672 5.534 ( 0.457 4.405 2.932) 5.312 6.206 ( -5.114 -5.564 1.809) 7.771 6.691 ( -15.408 -2.617 -8.776) 17.924======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( 1.630 1.191 -1.945) 2.803 2.451 ( -1.430 13.277 0.780) 13.377 3.011 ( 3.628 -0.765 0.489) 3.740 3.998 ( 2.675 2.824 2.870) 4.834 4.106 ( -1.682 1.500 -1.083) 2.501 4.481 ( 2.382 0.433 -4.448) 5.065 4.663 ( -3.244 4.494 3.134) 6.368 4.863 ( 4.308 0.004 -1.628) 4.605 4.904 ( 3.446 -2.411 -5.009) 6.541 5.607 ( 1.808 5.028 1.040) 5.443 6.021 ( -16.047 3.209 1.992) 16.485 6.520 ( 2.063 -6.155 -1.792) 6.734======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 0.844 0.546 -0.979) 1.403 2.512 ( -5.868 11.061 1.579) 12.620 3.019 ( -0.049 -3.212 -1.656) 3.614 3.999 ( -3.453 -2.076 -2.301) 4.640 4.116 ( 0.127 4.394 2.120) 4.880 4.503 ( 0.862 1.319 -5.049) 5.289 4.637 ( -4.901 3.990 0.711) 6.360 4.878 ( 2.369 -3.143 -2.645) 4.742 4.993 ( 5.438 0.590 2.188) 5.891 5.669 ( -2.608 2.900 -0.825) 3.987 5.843 ( -7.694 8.717 0.773) 11.652 6.573 ( 9.147 -5.972 5.912) 12.421======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( -0.286 -0.062 -0.201) 0.354 2.471 ( -11.091 7.866 2.099) 13.759 2.951 ( -1.923 -4.433 -2.934) 5.653 3.895 ( -4.210 -2.897 -2.339) 5.620 4.162 ( -1.118 4.907 0.902) 5.113 4.494 ( -0.373 -0.625 -3.902) 3.969 4.600 ( -4.789 5.105 -0.410) 7.011 4.860 ( -2.016 -1.095 0.454) 2.338 5.065 ( 2.992 -2.692 1.956) 4.475 5.561 ( -7.864 0.875 -0.215) 7.916 5.963 ( 6.609 10.118 -1.019) 12.128 6.730 ( 12.370 -4.387 8.838) 15.823======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( -2.679 -0.530 0.111) 2.733 2.300 ( -16.161 2.971 1.037) 16.464 2.873 ( -2.341 -2.715 -1.408) 3.851 3.802 ( -3.644 -1.440 -1.167) 4.088 4.169 ( -3.295 3.197 0.104) 4.592 4.460 ( -1.293 -1.045 -1.678) 2.362 4.567 ( -4.406 4.128 -0.474) 6.057 4.785 ( -6.205 -1.057 0.187) 6.298 5.058 ( -0.348 -2.765 0.370) 2.811 5.473 ( -2.985 -0.104 0.547) 3.037 6.182 ( 9.945 6.270 -1.167) 11.815 6.951 ( 14.151 -1.898 6.563) 15.714======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( -6.597 0.000 0.000) 6.597 2.020 ( -18.789 0.000 0.000) 18.789 2.796 ( -5.935 0.000 0.000) 5.935 3.733 ( -3.858 0.000 0.000) 3.858 4.107 ( -5.886 0.000 0.000) 5.886 4.425 ( -2.252 0.000 0.000) 2.252 4.534 ( -2.042 0.000 0.000) 2.042 4.644 ( -8.575 0.000 0.000) 8.575 5.031 ( -1.141 0.000 0.000) 1.141 5.459 ( 0.995 -0.000 -0.000) 0.995 6.391 ( 11.777 -0.000 -0.000) 11.777 7.190 ( 13.650 -0.000 -0.000) 13.650======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( -0.000 11.506 0.248) 11.508 1.559 ( -0.000 17.137 1.975) 17.250 2.594 ( 0.000 17.785 -2.461) 17.955 3.578 ( 0.000 3.672 -0.541) 3.711 3.961 ( 0.000 1.115 -1.251) 1.676 4.138 ( -0.000 -1.943 3.107) 3.664 4.383 ( 0.000 9.278 -2.023) 9.495 4.531 ( -0.000 -0.838 0.178) 0.857 5.024 ( 0.000 1.829 -1.917) 2.649 5.544 ( 0.000 2.829 -0.977) 2.992 6.458 ( 0.000 -18.976 -1.747) 19.056 7.845 ( -0.000 -6.303 0.648) 6.337======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( 0.589 8.153 -1.289) 8.276 1.776 ( 6.365 15.412 1.625) 16.754 2.717 ( -0.535 11.104 -3.548) 11.670 3.663 ( 4.940 4.595 0.106) 6.748 3.932 ( -1.963 0.618 -0.112) 2.061 4.225 ( 9.727 -3.302 1.439) 10.373 4.453 ( 0.273 2.931 -0.609) 3.006 4.562 ( 1.175 7.438 1.369) 7.653 5.021 ( -1.743 2.335 -3.109) 4.261 5.558 ( -1.307 2.552 0.006) 2.868 6.281 ( 1.308 -17.914 -2.659) 18.158 7.693 ( -11.023 -5.030 -1.839) 12.255======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 1.126 4.616 -2.568) 5.401 2.062 ( 9.584 14.297 1.540) 17.281 2.785 ( 0.993 5.512 -2.014) 5.952 3.799 ( 4.415 4.764 2.486) 6.955 3.937 ( 3.213 -0.197 -2.020) 3.800 4.369 ( 10.062 -2.639 0.683) 10.425 4.454 ( 0.282 -0.883 -1.606) 1.854 4.692 ( 2.189 9.404 2.027) 9.866 4.990 ( -3.221 2.593 -4.006) 5.757 5.559 ( -1.575 2.712 1.850) 3.641 6.151 ( 3.258 -14.276 -3.313) 15.013 7.389 ( -18.900 -3.223 -3.969) 19.580======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( 1.725 2.253 -2.808) 3.993 2.354 ( 7.938 13.822 0.898) 15.964 2.856 ( 3.791 1.665 0.650) 4.191 3.899 ( 2.236 2.870 5.499) 6.593 4.025 ( 6.569 1.885 -4.133) 7.987 4.423 ( -0.155 -1.239 -1.227) 1.751 4.523 ( 10.112 -3.885 -1.290) 10.909 4.800 ( 0.535 7.578 0.176) 7.599 4.937 ( -4.222 2.096 -4.496) 6.515 5.579 ( -0.293 3.267 2.141) 3.917 6.103 ( 5.397 -9.124 -0.608) 10.618 7.000 ( -22.525 -1.503 -4.945) 23.110======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( 1.905 1.147 -2.106) 3.063 2.575 ( 2.730 12.874 0.164) 13.162 2.938 ( 4.572 -1.047 1.883) 5.054 3.990 ( 3.181 2.662 5.442) 6.843 4.115 ( 2.227 2.013 -2.416) 3.854 4.414 ( 2.127 -1.259 -3.162) 4.013 4.633 ( 8.775 -4.724 -1.278) 10.048 4.848 ( -4.693 4.256 -4.610) 7.835 4.884 ( 0.376 3.423 -0.435) 3.471 5.620 ( 1.280 2.762 0.104) 3.046 6.142 ( 4.527 -2.987 4.397) 6.982 6.609 ( -19.487 -1.297 -4.587) 20.061======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 1.487 0.640 -1.110) 1.963 2.695 ( -2.175 11.115 0.818) 11.356 2.975 ( 1.476 -3.423 0.388) 3.748 4.042 ( -3.059 0.554 -0.022) 3.109 4.141 ( 1.786 1.928 2.510) 3.634 4.444 ( 3.311 -1.152 -4.189) 5.462 4.734 ( 7.567 -2.518 1.245) 8.071 4.778 ( -4.201 3.611 -5.422) 7.751 4.942 ( 2.292 1.573 0.945) 2.936 5.678 ( 2.679 2.406 -1.008) 3.740 6.125 ( -13.060 5.409 2.848) 14.420 6.402 ( 3.496 -5.962 0.709) 6.948======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( 0.651 0.227 -0.336) 0.767 2.717 ( -7.655 7.961 1.852) 11.199 2.928 ( -1.278 -4.667 -1.669) 5.119 3.945 ( -5.522 -1.397 -1.351) 5.854 4.208 ( 1.100 2.771 1.919) 3.545 4.456 ( 1.561 -1.737 -2.786) 3.636 4.725 ( -4.731 3.594 -0.673) 5.979 4.835 ( 4.303 -0.579 -0.647) 4.390 4.997 ( 3.497 -0.953 1.334) 3.862 5.698 ( -4.670 0.843 -0.443) 4.767 5.989 ( -4.167 4.951 -0.507) 6.491 6.513 ( 11.430 -3.358 3.682) 12.469======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( -0.598 0.000 0.000) 0.598 2.575 ( -13.856 0.000 0.000) 13.856 2.880 ( -1.050 0.000 0.000) 1.050 3.855 ( -4.107 0.000 0.000) 4.107 4.225 ( -1.228 0.000 0.000) 1.228 4.456 ( 0.252 -0.000 -0.000) 0.252 4.665 ( -4.720 0.000 0.000) 4.720 4.853 ( -1.672 0.000 0.000) 1.672 5.037 ( 1.460 -0.000 -0.000) 1.460 5.569 ( -8.136 0.000 0.000) 8.136 6.064 ( 7.285 -0.000 -0.000) 7.285 6.716 ( 13.738 -0.000 -0.000) 13.738======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( 0.000 5.594 -2.582) 6.162 1.857 ( -0.000 12.556 0.831) 12.583 2.793 ( 0.000 6.024 -4.570) 7.561 3.664 ( -0.000 5.425 0.055) 5.425 3.985 ( -0.000 1.670 -0.093) 1.673 4.083 ( -0.000 -5.376 3.226) 6.270 4.464 ( 0.000 0.102 -1.067) 1.072 4.658 ( -0.000 12.407 2.427) 12.642 5.049 ( 0.000 2.707 -3.431) 4.370 5.594 ( 0.000 2.708 -0.463) 2.747 6.089 ( 0.000 -17.050 -2.635) 17.253 7.727 ( 0.000 -5.412 -2.274) 5.870======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( -0.001 2.595 -3.390) 4.269 2.034 ( 7.635 10.382 0.591) 12.901 2.810 ( -0.162 1.942 -3.360) 3.884 3.763 ( 4.909 5.645 0.094) 7.481 3.938 ( -2.990 -0.550 1.927) 3.600 4.161 ( 9.598 -3.590 0.796) 10.279 4.452 ( -0.517 -0.646 -1.513) 1.725 4.792 ( 0.062 12.244 2.691) 12.536 5.048 ( -1.893 2.815 -3.579) 4.931 5.609 ( -0.914 2.314 0.520) 2.542 5.951 ( 2.746 -13.663 -3.125) 14.282 7.583 ( -10.005 -4.492 -3.004) 11.371======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 1.027 0.888 -3.101) 3.386 2.298 ( 11.824 9.284 0.516) 15.042 2.821 ( 1.696 -0.087 -0.917) 1.930 3.916 ( 6.844 3.184 -2.467) 7.941 3.921 ( 0.306 1.782 5.160) 5.467 4.292 ( 10.406 -4.445 -1.181) 11.377 4.426 ( -1.010 -0.845 -1.910) 2.320 4.892 ( -1.320 8.944 1.260) 9.128 5.016 ( -3.641 2.728 -3.358) 5.654 5.617 ( -0.720 1.438 1.091) 1.943 5.910 ( 6.375 -8.269 -1.655) 10.571 7.305 ( -17.427 -2.755 -3.182) 17.928======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 2.015 0.437 -2.029) 2.893 2.576 ( 10.156 8.700 -0.322) 13.377 2.861 ( 3.631 -1.457 1.386) 4.150 3.966 ( 3.888 0.237 3.604) 5.306 4.070 ( 5.085 4.862 -0.351) 7.044 4.386 ( 0.365 -2.096 -0.368) 2.159 4.411 ( 8.584 -4.330 -4.381) 10.566 4.933 ( -1.867 3.846 0.394) 4.294 4.960 ( -4.744 3.821 -2.967) 6.775 5.620 ( 0.350 0.201 -0.330) 0.522 5.990 ( 9.145 -3.128 1.756) 9.824 6.949 ( -21.459 -1.003 -2.559) 21.635======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 2.157 0.291 -0.835) 2.331 2.777 ( 4.454 7.952 -0.963) 9.165 2.904 ( 2.969 -3.775 1.830) 5.139 4.070 ( 5.021 1.568 3.881) 6.537 4.132 ( -1.368 0.896 -1.425) 2.169 4.377 ( 1.618 -0.516 -1.715) 2.414 4.526 ( 11.097 -3.145 -2.213) 11.744 4.881 ( -4.583 1.527 -1.339) 5.013 4.954 ( -1.115 2.234 0.040) 2.498 5.643 ( 2.419 0.360 -0.666) 2.535 6.142 ( 9.714 -0.428 2.690) 10.089 6.571 ( -21.749 -0.434 -1.571) 21.810======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 1.539 -0.000 -0.000) 1.539 2.866 ( -3.111 0.000 0.000) 3.111 2.887 ( 1.697 -0.000 -0.000) 1.697 4.042 ( -6.590 0.000 0.000) 6.590 4.180 ( 4.321 -0.000 -0.000) 4.321 4.406 ( 2.418 -0.000 -0.000) 2.418 4.699 ( 10.725 -0.000 -0.000) 10.725 4.815 ( -4.326 0.000 0.000) 4.326 4.958 ( 0.858 -0.000 -0.000) 0.858 5.696 ( 3.202 -0.000 -0.000) 3.202 6.220 ( -18.527 0.000 0.000) 18.527 6.318 ( 10.580 -0.000 -0.000) 10.580======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 0.000 0.280 -3.902) 3.912 2.047 ( -0.000 7.013 0.070) 7.013 2.800 ( 0.000 -1.267 -3.193) 3.435 3.778 ( -0.000 5.766 0.556) 5.793 4.007 ( -0.000 -4.118 2.583) 4.861 4.015 ( -0.000 1.148 0.377) 1.208 4.443 ( 0.000 -0.943 -1.619) 1.874 4.921 ( -0.000 11.382 2.874) 11.739 5.079 ( 0.000 2.758 -3.077) 4.132 5.636 ( 0.000 1.800 -0.171) 1.808 5.795 ( 0.000 -11.189 -2.594) 11.486 7.612 ( 0.000 -4.385 -2.689) 5.144======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( 0.569 -0.616 -3.035) 3.149 2.182 ( 9.072 4.916 0.031) 10.318 2.782 ( 1.190 -1.927 -1.699) 2.831 3.859 ( 2.977 3.393 -0.500) 4.541 3.957 ( -0.598 1.345 3.747) 4.026 4.104 ( 7.145 -2.554 -0.963) 7.649 4.425 ( -0.455 -0.828 -1.418) 1.704 5.006 ( -1.770 6.900 1.353) 7.251 5.081 ( -2.025 3.124 -1.988) 4.220 5.638 ( -0.986 -0.371 0.153) 1.064 5.741 ( 4.823 -5.474 -1.610) 7.471 7.490 ( -9.128 -2.997 -2.185) 9.853======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 1.811 -0.241 -1.418) 2.313 2.421 ( 13.919 3.240 -0.012) 14.291 2.798 ( 2.830 -1.063 -0.159) 3.028 3.908 ( 2.785 -0.194 -0.026) 2.792 4.052 ( 4.261 5.320 3.485) 7.655 4.191 ( 8.530 -4.527 -2.706) 10.029 4.401 ( -1.167 -0.447 -0.927) 1.556 5.007 ( -3.043 1.970 0.148) 3.628 5.055 ( -3.821 2.804 -1.096) 4.865 5.613 ( -0.347 -1.127 -0.272) 1.210 5.824 ( 8.292 -1.206 0.267) 8.384 7.249 ( -16.295 -1.154 -1.234) 16.382======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 2.403 -0.000 -0.000) 2.403 2.665 ( 12.246 -0.000 -0.000) 12.246 2.844 ( 2.917 -0.000 -0.000) 2.917 3.977 ( 5.676 -0.000 -0.000) 5.676 4.145 ( 1.844 -0.000 -0.000) 1.844 4.319 ( 10.738 -0.000 -0.000) 10.738 4.374 ( -1.341 0.000 0.000) 1.341 4.955 ( -3.989 0.000 0.000) 3.989 5.006 ( -3.321 0.000 0.000) 3.321 5.612 ( 0.994 -0.000 -0.000) 0.994 5.974 ( 10.006 -0.000 -0.000) 10.006 6.929 ( -20.892 0.000 0.000) 20.892======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( 0.000 -0.885 -1.897) 2.093 2.133 ( -0.000 2.160 -0.071) 2.162 2.746 ( 0.000 -1.700 -1.047) 1.997 3.870 ( -0.000 2.787 0.361) 2.810 3.970 ( -0.000 -1.126 0.973) 1.488 4.029 ( -0.000 0.126 0.165) 0.208 4.418 ( 0.000 -0.533 -0.796) 0.958 5.065 ( 0.000 2.088 -0.326) 2.113 5.132 ( -0.000 3.566 0.221) 3.573 5.636 ( 0.000 -3.829 -0.977) 3.952 5.659 ( -0.000 0.603 -0.039) 0.604 7.536 ( 0.000 -1.815 -1.180) 2.165======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 1.082 -0.000 -0.000) 1.082 2.228 ( 9.679 -0.000 -0.000) 9.679 2.751 ( 1.830 -0.000 -0.000) 1.830 3.883 ( 0.363 -0.000 -0.000) 0.363 4.022 ( 6.054 -0.000 -0.000) 6.054 4.049 ( 2.193 -0.000 -0.000) 2.193 4.410 ( -0.411 0.000 0.000) 0.411 5.058 ( -1.779 0.000 0.000) 1.779 5.127 ( -2.810 0.000 0.000) 2.810 5.612 ( -0.396 0.000 0.000) 0.396 5.705 ( 5.044 -0.000 -0.000) 5.044 7.451 ( -8.752 0.000 0.000) 8.752======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.204 ( -0.000 0.000 19.182) 19.182 0.204 ( -0.000 0.000 19.182) 19.182 0.351 ( -0.000 0.000 33.261) 33.261 3.502 ( -0.000 0.000 0.023) 0.023 3.502 ( 0.000 -0.000 0.023) 0.023 3.977 ( 0.000 -0.000 -1.785) 1.785 3.977 ( 0.000 -0.000 -1.785) 1.785 5.019 ( 0.000 -0.000 -3.908) 3.908 5.506 ( -0.000 0.000 1.266) 1.266 5.506 ( -0.000 0.000 1.266) 1.266 5.996 ( -0.000 0.000 1.512) 1.512 9.371 ( -0.000 0.000 0.342) 0.342======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.460 ( 14.714 8.495 8.760) 19.116 0.477 ( 13.980 8.071 11.202) 19.648 0.858 ( 26.566 15.338 15.365) 34.308 3.520 ( 1.064 0.614 0.791) 1.461 3.798 ( 9.247 5.339 -13.954) 17.571 3.967 ( -0.079 -0.045 -2.344) 2.346 4.073 ( 9.478 5.472 -3.098) 11.374 4.834 ( -12.242 -7.068 14.042) 19.924 5.042 ( -2.916 -1.684 4.996) 6.025 5.545 ( 1.573 0.908 3.183) 3.665 6.896 ( 24.741 14.284 -40.057) 49.200 8.462 ( -37.636 -21.729 42.833) 61.019======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( 15.417 8.901 3.544) 18.151 0.841 ( 15.715 9.073 6.844) 19.394 1.495 ( 26.754 15.446 5.842) 31.440 3.555 ( 1.784 1.030 1.487) 2.541 3.916 ( 6.282 3.627 -5.957) 9.386 3.960 ( 0.277 0.160 -2.392) 2.413 4.314 ( 11.983 6.918 0.340) 13.841 4.688 ( -5.957 -3.440 6.828) 9.693 5.005 ( -1.969 -1.137 1.247) 2.593 5.587 ( 0.897 0.518 3.293) 3.452 7.079 ( 5.013 2.894 -22.691) 23.418 7.901 ( -26.167 -15.107 19.645) 36.039======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 13.962 8.061 0.097) 16.123 1.209 ( 15.549 8.977 3.970) 18.389 2.063 ( 23.304 13.455 0.080) 26.910 3.610 ( 2.677 1.546 2.069) 3.720 3.963 ( 0.677 0.391 -2.010) 2.156 4.050 ( 6.648 3.838 -0.360) 7.685 4.591 ( 11.444 6.607 5.952) 14.493 4.594 ( -3.907 -2.256 2.774) 5.296 4.957 ( -2.252 -1.300 -1.382) 2.945 5.601 ( -0.520 -0.300 1.785) 1.883 7.014 ( -6.453 -3.726 -7.194) 10.357 7.398 ( -20.989 -12.118 -3.398) 24.473======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 10.963 6.329 -2.418) 12.888 1.546 ( 13.665 7.890 1.763) 15.877 2.518 ( 17.950 10.364 -2.481) 20.875 3.688 ( 3.654 2.110 2.352) 4.830 3.975 ( 0.864 0.499 -1.288) 1.629 4.197 ( 5.746 3.317 4.639) 8.095 4.536 ( -1.796 -1.037 1.905) 2.816 4.809 ( 1.865 1.077 7.733) 8.027 4.943 ( 5.657 3.266 -3.211) 7.278 5.576 ( -1.864 -1.076 -0.242) 2.166 6.680 ( -23.093 -13.333 6.370) 27.416 7.041 ( -6.536 -3.774 -23.720) 24.892======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( 6.900 3.983 -3.580) 8.734 1.818 ( 10.403 6.006 0.392) 12.019 2.840 ( 11.938 6.893 -2.153) 13.952 3.784 ( 4.106 2.371 1.922) 5.116 3.991 ( 0.762 0.440 -0.265) 0.919 4.331 ( 4.072 2.351 8.112) 9.376 4.522 ( -0.028 -0.016 0.018) 0.037 4.782 ( -1.541 -0.890 -0.632) 1.889 5.132 ( 7.636 4.409 4.068) 9.711 5.524 ( -2.376 -1.372 -1.457) 3.106 6.154 ( -23.243 -13.419 -2.064) 26.918 6.869 ( -3.111 -1.796 -17.594) 17.957======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 3.251 1.877 -3.177) 4.917 2.006 ( 6.467 3.734 -0.061) 7.468 3.037 ( 6.563 3.789 -1.746) 7.777 3.874 ( 3.347 1.933 0.567) 3.907 4.005 ( 0.318 0.184 0.876) 0.950 4.398 ( -1.121 -0.647 5.950) 6.089 4.541 ( 2.182 1.260 -0.847) 2.659 4.800 ( 3.886 2.243 -0.261) 4.494 5.249 ( 0.713 0.412 2.172) 2.323 5.471 ( -1.690 -0.976 -1.029) 2.206 5.696 ( -15.138 -8.740 -5.058) 18.197 6.783 ( -0.454 -0.262 -8.270) 8.287======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( 1.327 0.766 -1.921) 2.457 2.103 ( 2.284 1.319 0.065) 2.638 3.122 ( 1.932 1.116 -3.229) 3.925 3.928 ( 1.523 0.879 -0.896) 1.974 4.007 ( -0.566 -0.327 1.373) 1.521 4.353 ( -2.580 -1.490 -1.462) 3.319 4.582 ( 0.911 0.526 0.447) 1.143 4.942 ( 7.215 4.166 2.337) 8.653 5.138 ( -7.751 -4.475 -3.664) 9.671 5.450 ( -0.134 -0.077 0.760) 0.776 5.521 ( -1.497 -0.864 0.462) 1.790 6.795 ( 2.482 1.433 2.065) 3.533======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( 0.426 0.246 -0.486) 0.692 2.107 ( -2.035 -1.175 0.410) 2.385 3.108 ( -1.686 -0.974 -4.405) 4.816 3.924 ( -1.872 -1.081 -1.459) 2.608 3.997 ( -0.336 -0.194 0.600) 0.714 4.292 ( -1.596 -0.922 -6.351) 6.613 4.582 ( -0.764 -0.441 -0.343) 0.947 4.918 ( -6.490 -3.747 0.586) 7.517 5.159 ( 5.893 3.402 -1.032) 6.882 5.470 ( 1.324 0.765 2.581) 3.000 5.555 ( 4.654 2.687 3.047) 6.177 6.902 ( 4.966 2.867 11.330) 12.698======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( -1.947 -1.124 0.729) 2.364 2.014 ( -6.558 -3.786 0.680) 7.603 3.027 ( -4.506 -2.602 -2.603) 5.818 3.844 ( -4.351 -2.512 -2.095) 5.443 3.995 ( -0.036 -0.021 0.007) 0.042 4.236 ( -1.284 -0.742 -8.390) 8.520 4.553 ( -1.556 -0.898 -0.535) 1.874 4.801 ( -4.336 -2.504 0.335) 5.018 5.187 ( -2.265 -1.308 -2.564) 3.663 5.517 ( 1.774 1.024 3.051) 3.675 5.786 ( 14.360 8.290 3.129) 16.874 7.083 ( 6.504 3.755 17.755) 19.278======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( -6.755 -3.900 0.960) 7.859 1.819 ( -11.220 -6.478 0.500) 12.965 2.875 ( -9.656 -5.575 0.942) 11.190 3.733 ( -4.561 -2.633 -2.660) 5.900 3.993 ( -0.163 -0.094 -0.099) 0.212 4.176 ( -1.665 -0.961 -6.341) 6.626 4.517 ( -1.256 -0.725 -0.607) 1.572 4.716 ( -2.948 -1.702 -5.098) 6.130 5.096 ( -4.570 -2.639 0.142) 5.279 5.559 ( 1.083 0.625 1.758) 2.158 6.159 ( 18.086 10.442 -0.758) 20.897 7.300 ( 6.747 3.895 20.337) 21.778======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( -11.794 -6.809 0.408) 13.624 1.525 ( -15.188 -8.769 -0.136) 17.538 2.575 ( -18.340 -10.588 2.693) 21.347 3.633 ( -3.480 -2.009 -2.631) 4.803 3.988 ( -0.175 -0.101 -0.091) 0.222 4.124 ( -1.731 -1.000 -2.102) 2.901 4.494 ( -0.884 -0.510 -2.395) 2.603 4.621 ( -3.355 -1.937 -7.922) 8.819 5.016 ( -2.755 -1.591 2.539) 4.070 5.572 ( -0.138 -0.079 -0.575) 0.596 6.560 ( 18.696 10.794 -4.895) 22.136 7.512 ( 5.892 3.402 19.489) 20.642======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( -17.404 -10.048 -0.569) 20.105 1.160 ( -15.306 -8.837 0.043) 17.674 2.086 ( -26.136 -15.090 2.541) 30.286 3.562 ( -2.169 -1.252 -2.199) 3.333 3.985 ( -0.057 -0.033 -0.077) 0.102 4.078 ( -2.437 -1.407 1.698) 3.287 4.400 ( -5.932 -3.425 -9.018) 11.324 4.572 ( 0.520 0.300 -0.699) 0.922 4.991 ( -0.294 -0.170 1.412) 1.453 5.552 ( -1.049 -0.606 -2.581) 2.851 6.939 ( 17.142 9.897 -7.788) 21.272 7.691 ( 4.405 2.543 17.144) 17.883======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( -17.718 -10.230 0.274) 20.461 0.799 ( -17.159 -9.907 0.741) 19.828 1.460 ( -30.720 -17.736 3.487) 35.643 3.520 ( -1.097 -0.633 -1.557) 2.007 3.985 ( 0.053 0.030 -0.292) 0.299 4.029 ( -2.600 -1.501 2.756) 4.075 4.214 ( -7.352 -4.245 -9.797) 12.964 4.599 ( 1.379 0.796 3.035) 3.427 5.004 ( 0.991 0.572 0.297) 1.183 5.516 ( -1.050 -0.606 -2.979) 3.216 7.238 ( 12.042 6.952 -15.225) 20.618 7.839 ( 3.974 2.294 21.319) 21.807======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.481 ( -0.000 14.203 11.182) 18.077 0.516 ( -0.000 15.100 12.700) 19.731 0.933 ( -0.000 29.327 17.319) 34.059 3.495 ( 0.000 -0.009 -0.496) 0.496 3.790 ( 0.000 15.752 -12.681) 20.223 3.965 ( 0.000 0.128 -2.606) 2.610 4.002 ( 0.000 3.666 -1.977) 4.165 4.869 ( -0.000 -12.858 6.546) 14.428 5.069 ( -0.000 -7.456 10.436) 12.826 5.487 ( 0.000 -0.943 0.060) 0.944 6.789 ( 0.000 28.611 -29.126) 40.828 8.651 ( -0.000 -38.471 33.930) 51.295======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.745 ( 8.774 14.317 7.273) 18.299 0.779 ( 8.584 14.316 9.011) 18.969 1.384 ( 13.173 26.842 9.277) 31.306 3.526 ( 2.899 0.241 0.308) 2.925 3.849 ( 0.346 4.497 -5.243) 6.916 3.996 ( 0.206 6.157 -5.157) 8.034 4.154 ( 12.830 4.793 -1.706) 13.802 4.745 ( -3.934 -7.594 5.344) 10.085 5.029 ( -1.686 -2.425 3.700) 4.735 5.530 ( 4.488 -2.375 1.077) 5.191 6.950 ( 5.105 8.377 -20.047) 22.318 8.237 ( -21.688 -21.591 22.423) 37.938======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 10.038 12.157 3.030) 16.054 1.113 ( 11.586 13.680 5.922) 18.880 1.891 ( 16.693 21.209 2.080) 27.070 3.587 ( 3.004 1.513 1.396) 3.641 3.895 ( 3.861 -0.083 -1.510) 4.147 4.058 ( 1.110 8.464 -3.469) 9.214 4.437 ( 14.671 5.217 0.985) 15.602 4.638 ( -3.457 -4.909 3.654) 7.028 4.984 ( -2.534 -1.594 0.441) 3.026 5.568 ( 2.564 -3.191 1.064) 4.229 6.966 ( 0.892 -2.798 -12.777) 13.110 7.720 ( -26.737 -12.892 8.151) 30.782======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( 9.538 9.177 -0.770) 13.258 1.451 ( 11.194 13.112 3.443) 17.581 2.340 ( 16.060 15.047 -1.786) 22.080 3.664 ( 3.152 2.636 2.058) 4.595 3.950 ( 2.709 0.760 -1.332) 3.113 4.176 ( 4.104 7.181 1.338) 8.379 4.557 ( -1.922 -2.833 1.385) 3.693 4.735 ( 12.643 3.308 6.816) 14.739 4.919 ( -2.576 -0.686 -3.454) 4.363 5.559 ( 0.337 -3.957 0.081) 3.972 6.843 ( -5.722 -10.464 -2.563) 12.199 7.181 ( -25.256 -5.377 -9.513) 27.519======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( 7.428 5.943 -3.143) 10.019 1.748 ( 8.826 11.837 1.529) 14.844 2.694 ( 13.207 9.273 -2.243) 16.292 3.756 ( 3.497 3.292 2.128) 5.253 3.990 ( 1.059 2.113 -1.279) 2.687 4.326 ( 4.514 5.889 5.373) 9.161 4.521 ( -0.438 -1.610 1.212) 2.062 4.806 ( -3.077 -1.656 -0.646) 3.554 5.024 ( 10.901 2.656 1.984) 11.395 5.512 ( -0.852 -4.088 -0.501) 4.206 6.473 ( -25.003 -10.245 2.457) 27.132 6.840 ( -5.742 -2.245 -18.549) 19.547======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( 4.573 3.082 -3.672) 6.625 1.975 ( 5.350 9.955 0.512) 11.313 2.939 ( 8.943 4.695 -1.765) 10.253 3.851 ( 3.069 3.532 1.302) 4.857 4.018 ( 0.068 2.352 -0.246) 2.365 4.448 ( -0.349 3.064 7.030) 7.676 4.513 ( 1.746 0.392 -1.430) 2.290 4.768 ( 1.028 0.872 -1.794) 2.244 5.178 ( 6.175 -3.381 -0.206) 7.043 5.470 ( -0.432 -1.236 1.004) 1.650 5.976 ( -24.559 -2.648 -3.893) 25.006 6.730 ( 0.688 -3.189 -8.876) 9.457======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 2.334 1.335 -2.891) 3.948 2.118 ( 1.385 7.769 0.343) 7.899 3.068 ( 4.198 1.227 -2.999) 5.303 3.927 ( 1.464 3.611 -0.144) 3.899 4.031 ( -1.098 1.367 0.701) 1.888 4.405 ( -4.519 0.184 -1.373) 4.726 4.573 ( 1.462 1.531 1.339) 2.505 4.864 ( 7.131 3.990 1.206) 8.260 5.142 ( -1.521 -8.606 -4.300) 9.740 5.491 ( 0.208 3.512 2.780) 4.484 5.637 ( -13.919 2.357 -2.302) 14.304 6.735 ( 4.611 -2.170 0.902) 5.175======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( 1.293 0.574 -1.687) 2.201 2.171 ( -2.863 5.487 0.652) 6.223 3.088 ( 0.336 -1.348 -4.987) 5.177 3.963 ( -1.650 3.453 -1.062) 3.972 4.009 ( -1.437 -0.811 0.102) 1.653 4.331 ( -4.195 2.404 -4.920) 6.899 4.587 ( -0.494 -0.068 -0.509) 0.713 4.978 ( -4.037 -4.069 0.598) 5.763 5.065 ( 7.420 2.044 -0.614) 7.721 5.508 ( -4.673 2.550 1.183) 5.454 5.564 ( 1.756 5.582 2.584) 6.397 6.841 ( 7.611 -1.158 9.356) 12.116======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( 0.048 -0.426 -0.499) 0.658 2.130 ( -7.403 2.996 1.078) 8.059 3.035 ( -1.744 -3.101 -4.676) 5.875 3.902 ( -5.134 -1.211 -1.409) 5.460 4.004 ( -0.342 1.793 -1.292) 2.236 4.279 ( -4.126 4.888 -6.451) 9.084 4.563 ( -1.193 -0.930 -1.330) 2.014 4.860 ( -5.262 -3.154 1.830) 6.402 5.172 ( 2.224 -0.745 -1.532) 2.801 5.490 ( 0.686 -0.717 3.095) 3.250 5.727 ( 7.134 11.728 2.376) 13.932 7.021 ( 9.643 -0.632 15.149) 17.969======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( -3.634 -2.501 0.072) 4.413 1.986 ( -12.185 -0.017 1.151) 12.239 2.939 ( -4.335 -4.779 -1.678) 6.667 3.790 ( -5.371 -1.875 -1.888) 5.994 4.004 ( -1.261 1.837 -1.722) 2.816 4.240 ( -4.534 6.324 -5.211) 9.365 4.526 ( -1.306 -1.346 -0.938) 2.097 4.749 ( -5.097 -2.617 -1.315) 5.878 5.130 ( -2.848 -2.934 -1.177) 4.255 5.521 ( 2.659 -2.198 2.957) 4.544 6.024 ( 12.392 13.652 -0.097) 18.438 7.241 ( 10.287 -0.688 17.338) 20.171======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( -9.147 -4.549 -0.115) 10.216 1.735 ( -16.509 -2.991 0.750) 16.795 2.756 ( -11.834 -6.994 1.049) 13.786 3.683 ( -4.910 -1.007 -1.734) 5.304 3.982 ( -1.698 0.052 -1.920) 2.564 4.217 ( -4.695 7.220 -1.069) 8.679 4.494 ( -0.774 -1.023 -1.082) 1.678 4.630 ( -4.229 -2.918 -6.336) 8.158 5.052 ( -2.865 -2.433 1.102) 3.917 5.543 ( 1.844 -2.563 0.926) 3.290 6.376 ( 15.114 12.409 -3.202) 19.816 7.458 ( 9.621 -1.307 16.043) 18.752======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( -14.132 -5.189 -0.167) 15.055 1.399 ( -19.383 -4.473 0.497) 19.898 2.400 ( -22.574 -8.352 1.803) 24.137 3.599 ( -3.808 -0.112 -1.330) 4.035 3.944 ( -0.601 -2.265 -1.333) 2.696 4.209 ( -5.331 7.506 2.386) 9.511 4.430 ( -4.858 -2.863 -6.397) 8.528 4.553 ( 0.609 -0.911 -2.176) 2.437 5.004 ( -1.323 -1.117 1.168) 2.089 5.540 ( 0.403 -1.787 -1.039) 2.106 6.731 ( 16.231 9.918 -5.209) 19.722 7.639 ( 8.330 -2.631 12.745) 15.452======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( -20.339 -3.344 1.517) 20.668 1.032 ( -17.649 -3.985 0.662) 18.105 1.881 ( -30.813 -7.175 2.550) 31.740 3.546 ( -2.508 0.638 -0.651) 2.669 3.916 ( 0.713 -2.848 -1.054) 3.119 4.185 ( -6.332 4.636 2.064) 8.114 4.271 ( -7.573 -1.161 -6.721) 10.192 4.581 ( 2.430 0.211 1.908) 3.097 4.994 ( 0.469 -0.286 0.396) 0.677 5.523 ( -0.661 0.122 -1.458) 1.605 7.050 ( 13.939 7.102 -8.286) 17.703 7.778 ( 8.351 -5.081 11.960) 15.446======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( -0.000 17.167 6.849) 18.482 0.891 ( -0.000 15.529 8.988) 17.943 1.597 ( -0.000 29.959 7.693) 30.931 3.498 ( 0.000 0.838 -0.427) 0.940 3.947 ( 0.000 0.193 -3.066) 3.072 3.973 ( 0.000 11.215 -6.314) 12.870 4.080 ( 0.000 5.352 -1.561) 5.575 4.712 ( -0.000 -7.859 2.853) 8.360 5.031 ( -0.000 -2.651 3.652) 4.513 5.477 ( 0.000 0.259 -0.520) 0.581 6.922 ( 0.000 2.905 -11.730) 12.085 8.273 ( -0.000 -21.613 15.690) 26.707======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 4.259 15.481 5.054) 16.833 1.117 ( 6.956 15.280 6.455) 17.987 1.945 ( 5.908 26.327 2.456) 27.094 3.544 ( 3.787 1.532 0.329) 4.098 3.882 ( -2.194 1.874 -1.602) 3.300 4.116 ( 0.696 9.146 -4.762) 10.335 4.233 ( 13.886 3.972 0.121) 14.444 4.636 ( -1.589 -6.010 1.733) 6.454 5.006 ( -1.574 -1.626 1.164) 2.545 5.503 ( 2.192 -0.436 -0.258) 2.250 6.881 ( 0.273 -6.192 -6.829) 9.222 7.989 ( -16.291 -14.349 6.752) 22.735======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( 5.133 11.440 1.662) 12.648 1.434 ( 9.626 15.825 4.486) 19.058 2.291 ( 8.693 19.477 -1.710) 21.397 3.639 ( 4.187 2.902 1.536) 5.321 3.903 ( 2.730 1.520 -1.076) 3.305 4.203 ( 1.738 8.191 -1.395) 8.488 4.512 ( 11.892 1.466 -0.649) 11.999 4.577 ( 2.400 -3.060 4.240) 5.754 4.954 ( -3.124 -0.791 -1.863) 3.723 5.518 ( 0.676 -1.647 0.178) 1.789 6.763 ( -1.066 -12.492 -4.005) 13.162 7.546 ( -24.675 -6.827 -2.654) 25.740======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( 5.210 7.781 -1.640) 9.507 1.750 ( 8.276 15.479 2.903) 17.791 2.591 ( 9.931 12.184 -2.296) 15.885 3.742 ( 3.449 3.824 2.441) 5.699 3.970 ( 3.282 2.091 -2.301) 4.521 4.329 ( 4.103 7.370 2.038) 8.677 4.515 ( -0.437 -2.102 0.975) 2.358 4.788 ( 9.825 -2.175 4.695) 11.104 4.892 ( -0.063 1.244 -5.892) 6.023 5.499 ( -1.015 -1.549 1.182) 2.197 6.588 ( -3.571 -14.401 -0.212) 14.839 7.055 ( -25.609 -0.644 -11.370) 28.027======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 4.216 4.499 -3.201) 6.947 2.014 ( 5.027 14.447 1.572) 15.378 2.834 ( 9.023 6.447 -1.104) 11.145 3.844 ( 3.119 4.088 2.578) 5.752 4.028 ( 1.820 2.784 -2.220) 3.999 4.470 ( 3.757 2.372 0.614) 4.485 4.509 ( 0.057 2.875 3.447) 4.489 4.779 ( -2.302 0.153 -1.720) 2.878 4.996 ( 8.951 -4.933 -4.091) 11.009 5.485 ( -0.619 1.223 2.974) 3.275 6.327 ( -17.268 -6.635 1.425) 18.554 6.694 ( -8.709 -1.744 -12.047) 14.967======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 2.783 2.294 -3.115) 4.766 2.201 ( 1.179 12.734 1.049) 12.832 2.996 ( 5.503 2.329 -1.311) 6.118 3.937 ( 2.240 4.194 1.470) 4.977 4.064 ( -0.240 2.456 -0.654) 2.553 4.461 ( -1.686 -0.439 -3.358) 3.783 4.590 ( -0.133 4.154 3.461) 5.409 4.804 ( 4.242 3.619 -0.162) 5.579 5.014 ( 4.126 -8.694 -6.032) 11.358 5.525 ( 0.800 3.839 2.945) 4.905 5.964 ( -21.203 2.631 -1.804) 21.442 6.621 ( 4.294 -4.698 -0.976) 6.439======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 1.669 1.221 -2.275) 3.074 2.304 ( -2.889 10.732 1.329) 11.193 3.050 ( 1.197 -0.735 -3.245) 3.536 4.001 ( 0.674 2.922 -0.805) 3.105 4.051 ( -3.208 1.337 0.337) 3.492 4.417 ( -3.240 3.681 -4.891) 6.926 4.602 ( -1.554 0.879 -0.143) 1.791 4.950 ( 5.754 1.029 1.935) 6.157 4.966 ( 3.021 -3.738 -3.537) 5.968 5.593 ( 0.999 4.396 1.089) 4.637 5.707 ( -13.260 5.812 0.697) 14.494 6.702 ( 8.874 -4.541 7.047) 12.208======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 0.806 0.455 -1.336) 1.625 2.317 ( -7.421 8.418 1.955) 11.391 3.012 ( -1.359 -2.904 -4.575) 5.587 3.951 ( -3.907 -3.485 -1.724) 5.512 4.053 ( -1.703 5.871 -0.976) 6.191 4.392 ( -3.920 6.856 -4.958) 9.325 4.570 ( -1.610 -0.633 -1.784) 2.485 4.904 ( -2.225 -3.225 1.114) 4.074 5.098 ( 5.459 0.107 0.512) 5.484 5.545 ( -5.977 1.045 1.261) 6.197 5.750 ( 4.003 10.714 1.447) 11.528 6.864 ( 11.586 -4.535 11.720) 17.093======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( -1.302 -0.834 -0.698) 1.697 2.224 ( -12.542 4.993 2.043) 13.653 2.935 ( -1.963 -3.980 -3.342) 5.556 3.843 ( -4.302 -3.021 -1.341) 5.425 4.069 ( -2.639 5.713 -2.229) 6.676 4.378 ( -4.550 8.013 -4.027) 10.056 4.530 ( -1.450 -1.060 -1.378) 2.263 4.820 ( -5.560 -2.340 1.459) 6.206 5.121 ( -0.115 -3.170 -1.407) 3.470 5.494 ( -1.126 -1.151 3.065) 3.462 5.977 ( 8.936 12.602 -0.766) 15.467 7.070 ( 13.080 -4.895 12.875) 18.995======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( -5.650 -2.083 -0.562) 6.048 2.011 ( -17.009 1.022 1.381) 17.095 2.838 ( -4.993 -4.131 -0.998) 6.557 3.747 ( -4.296 -1.426 -0.382) 4.542 4.051 ( -4.412 4.235 -2.714) 6.690 4.369 ( -4.331 7.462 -1.004) 8.686 4.497 ( -1.115 -0.103 -0.684) 1.312 4.682 ( -7.485 -3.017 -2.059) 8.329 5.065 ( -1.658 -2.981 -0.664) 3.476 5.491 ( 1.365 -2.514 2.180) 3.597 6.260 ( 11.684 11.104 -2.799) 16.360 7.280 ( 13.006 -5.530 10.390) 17.541======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( -10.791 -1.962 -0.432) 10.976 1.704 ( -19.756 -1.041 0.999) 19.809 2.650 ( -13.648 -3.571 -0.255) 14.110 3.668 ( -4.358 -0.078 0.448) 4.382 3.987 ( -5.207 1.633 -1.774) 5.738 4.361 ( -3.979 3.735 0.843) 5.522 4.487 ( -3.730 3.480 0.140) 5.103 4.534 ( -2.836 -2.934 -2.778) 4.937 5.016 ( -1.408 -1.608 -0.438) 2.182 5.501 ( 1.796 -1.779 0.408) 2.561 6.552 ( 13.900 7.595 -3.394) 16.199 7.456 ( 11.660 -6.708 5.204) 14.424======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( -14.939 -0.029 0.100) 14.939 1.363 ( -20.576 0.029 1.767) 20.652 2.309 ( -23.938 -1.137 -0.278) 23.967 3.607 ( -3.654 0.857 1.058) 3.899 3.923 ( -2.903 0.936 -0.626) 3.114 4.269 ( -5.913 -3.944 -4.022) 8.167 4.440 ( -6.525 7.240 5.141) 11.019 4.544 ( 2.063 0.713 0.088) 2.184 4.985 ( -0.319 -0.957 -0.901) 1.353 5.521 ( 1.235 0.649 -0.141) 1.402 6.843 ( 15.333 4.038 -2.661) 16.078 7.570 ( 10.214 -9.105 -0.107) 13.684======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.221 ( -0.000 13.202 5.489) 14.297 1.226 ( -0.000 17.935 4.183) 18.416 2.164 ( -0.000 25.508 0.278) 25.509 3.523 ( -0.000 2.005 -0.076) 2.007 3.936 ( 0.000 0.834 -2.514) 2.648 4.132 ( -0.000 5.135 2.617) 5.763 4.184 ( 0.000 8.763 -3.796) 9.550 4.597 ( -0.000 -5.189 0.711) 5.238 5.010 ( -0.000 -1.002 0.155) 1.014 5.493 ( 0.000 1.822 -0.658) 1.937 6.776 ( 0.000 -12.428 -2.540) 12.685 8.009 ( -0.000 -12.324 1.754) 12.448======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 1.510 11.065 2.601) 11.467 1.467 ( 6.511 16.985 3.421) 18.510 2.398 ( 1.722 20.308 -2.652) 20.552 3.590 ( 4.749 3.018 0.434) 5.644 3.908 ( -1.721 1.651 -0.584) 2.455 4.242 ( 3.337 3.900 -0.617) 5.170 4.323 ( 9.288 6.525 1.297) 11.424 4.553 ( -0.407 -3.223 1.093) 3.428 4.986 ( -1.868 -0.061 -1.987) 2.728 5.513 ( 0.102 1.661 -0.253) 1.683 6.623 ( -0.278 -16.868 -1.554) 16.942 7.791 ( -13.491 -7.539 -3.540) 15.855======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( 2.210 7.901 -0.597) 8.226 1.771 ( 8.892 16.221 2.807) 18.710 2.594 ( 3.763 13.488 -2.935) 14.307 3.718 ( 5.318 4.187 1.349) 6.902 3.924 ( 2.122 1.170 -0.842) 2.566 4.343 ( 3.528 5.865 0.523) 6.865 4.484 ( 3.128 -2.233 -0.754) 3.917 4.597 ( 8.709 1.440 3.966) 9.678 4.935 ( -3.455 1.168 -4.259) 5.607 5.521 ( -0.966 1.394 1.243) 2.103 6.449 ( 0.363 -17.124 -1.809) 17.223 7.420 ( -21.975 -2.809 -7.747) 23.469======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 2.596 4.925 -2.566) 6.130 2.071 ( 7.109 15.733 1.959) 17.376 2.769 ( 6.113 7.503 -0.936) 9.723 3.842 ( 3.493 4.509 3.100) 6.492 3.986 ( 4.289 1.318 -2.493) 5.133 4.438 ( 1.340 0.461 0.272) 1.443 4.524 ( 4.449 3.540 1.016) 5.775 4.747 ( 6.665 -2.753 1.400) 7.346 4.877 ( -2.572 1.996 -6.423) 7.201 5.528 ( -0.928 2.468 2.890) 3.912 6.315 ( 1.774 -13.226 -0.006) 13.344 6.982 ( -24.536 0.508 -9.846) 26.443======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 2.489 2.852 -2.886) 4.760 2.309 ( 3.044 14.759 1.262) 15.122 2.924 ( 5.926 3.133 0.353) 6.713 3.944 ( 2.533 4.067 3.545) 5.960 4.063 ( 3.180 2.485 -1.817) 4.426 4.433 ( 0.849 -2.007 -2.533) 3.341 4.652 ( 2.622 5.192 3.026) 6.556 4.793 ( 2.237 0.626 0.337) 2.347 4.839 ( 1.496 -3.348 -8.869) 9.597 5.561 ( 0.228 3.407 2.123) 4.021 6.234 ( -4.412 -4.744 3.427) 7.329 6.605 ( -13.963 -0.659 -7.469) 15.849======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 1.918 1.764 -2.272) 3.457 2.463 ( -1.151 13.166 1.490) 13.300 3.010 ( 2.393 -0.135 -0.656) 2.485 4.016 ( 0.291 2.616 0.571) 2.694 4.107 ( -0.404 2.303 1.414) 2.732 4.432 ( 1.642 0.395 -4.873) 5.157 4.679 ( -4.806 4.141 -0.995) 6.422 4.821 ( 6.476 -6.536 -3.849) 9.973 4.888 ( 4.811 4.125 0.255) 6.342 5.613 ( 1.504 3.703 0.242) 4.004 6.036 ( -17.711 4.873 0.770) 18.386 6.528 ( 6.808 -6.129 3.245) 9.718======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 1.137 1.123 -1.503) 2.194 2.533 ( -5.526 11.226 2.418) 12.744 2.996 ( -1.366 -2.741 -2.641) 4.044 3.977 ( -3.948 -2.167 -1.805) 4.852 4.136 ( -1.038 4.954 1.575) 5.301 4.450 ( 0.808 1.943 -4.943) 5.372 4.624 ( -4.431 3.753 -3.275) 6.666 4.866 ( 3.621 -2.652 0.318) 4.499 5.009 ( 5.799 0.810 0.918) 5.927 5.658 ( -2.367 2.728 -1.103) 3.776 5.857 ( -7.924 7.785 1.889) 11.268 6.646 ( 11.576 -6.877 7.817) 15.569======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( -0.080 0.364 -0.979) 1.047 2.497 ( -11.354 7.558 2.740) 13.912 2.920 ( -1.977 -3.521 -3.068) 5.072 3.877 ( -4.047 -2.430 -0.921) 4.810 4.163 ( -2.155 5.505 -0.803) 5.966 4.455 ( -0.191 1.105 -3.367) 3.549 4.587 ( -4.209 5.093 -2.235) 6.975 4.870 ( -1.450 -1.508 1.428) 2.533 5.071 ( 2.205 -2.505 -0.727) 3.416 5.569 ( -6.929 0.379 1.539) 7.108 5.955 ( 5.923 9.341 -0.486) 11.071 6.819 ( 13.781 -7.336 7.904) 17.499======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -2.610 -0.287 -0.839) 2.757 2.313 ( -16.479 1.880 1.389) 16.644 2.860 ( -1.907 -1.374 -0.981) 2.547 3.799 ( -3.524 -0.804 0.558) 3.657 4.157 ( -3.705 3.996 -2.480) 5.987 4.445 ( -0.942 0.637 -0.998) 1.513 4.561 ( -3.891 4.633 -0.750) 6.097 4.788 ( -7.014 -1.511 0.395) 7.185 5.049 ( -0.308 -2.338 -1.867) 3.008 5.489 ( -2.854 -1.301 2.338) 3.913 6.165 ( 9.528 7.184 -2.040) 12.106 7.008 ( 14.632 -7.472 4.242) 16.968======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( -6.535 0.102 -0.897) 6.597 2.023 ( -18.686 -0.799 0.697) 18.716 2.793 ( -6.245 0.442 -0.397) 6.273 3.741 ( -3.894 0.470 1.661) 4.259 4.095 ( -5.552 1.305 -2.200) 6.113 4.426 ( -2.670 0.385 0.141) 2.701 4.529 ( -2.696 -0.940 -0.751) 2.953 4.659 ( -7.185 3.361 2.588) 8.344 5.021 ( -1.081 -0.106 -2.032) 2.304 5.464 ( 0.664 -1.225 0.863) 1.639 6.381 ( 11.668 2.434 -1.847) 12.061 7.177 ( 13.570 -7.512 -2.431) 15.700======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( -10.665 1.892 -0.955) 10.874 1.704 ( -19.134 0.274 1.128) 19.169 2.634 ( -14.610 2.657 -1.636) 14.939 3.687 ( -4.231 1.058 2.162) 4.867 4.004 ( -5.047 0.567 -0.422) 5.096 4.321 ( -6.572 -3.724 -1.438) 7.689 4.498 ( 0.754 -0.307 0.643) 1.037 4.650 ( -4.038 6.928 7.306) 10.848 4.988 ( -1.913 0.398 -3.052) 3.624 5.493 ( 2.714 0.926 -0.262) 2.879 6.595 ( 14.874 -2.644 0.505) 15.115 7.286 ( 11.044 -8.199 -10.276) 17.170======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( -0.000 9.189 1.179) 9.265 1.581 ( -0.000 16.244 2.115) 16.381 2.558 ( 0.000 16.644 -4.359) 17.205 3.578 ( -0.000 3.617 0.437) 3.643 3.949 ( 0.000 1.810 -1.128) 2.132 4.179 ( -0.000 -2.017 4.579) 5.004 4.375 ( -0.000 10.455 0.495) 10.467 4.537 ( -0.000 -0.766 0.939) 1.212 4.998 ( 0.000 0.931 -3.082) 3.220 5.535 ( 0.000 2.870 -0.794) 2.978 6.443 ( 0.000 -19.617 -1.191) 19.653 7.818 ( 0.000 -6.440 -5.829) 8.687======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 0.365 6.443 -1.158) 6.556 1.793 ( 6.662 14.678 1.496) 16.189 2.676 ( 0.214 11.112 -4.123) 11.854 3.665 ( 5.141 4.484 0.428) 6.835 3.938 ( -1.873 1.248 1.018) 2.471 4.246 ( 8.120 -3.289 2.789) 9.194 4.450 ( 0.111 1.890 -0.087) 1.895 4.586 ( 1.781 8.128 3.260) 8.937 4.982 ( -2.000 2.051 -4.345) 5.205 5.557 ( -0.450 2.796 -0.129) 2.835 6.255 ( 0.941 -18.779 -2.262) 18.938 7.642 ( -11.577 -4.071 -7.804) 14.543======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 1.034 3.912 -2.646) 4.834 2.076 ( 9.782 13.689 1.128) 16.863 2.766 ( 2.257 6.195 -1.599) 6.785 3.814 ( 6.451 5.088 0.219) 8.219 3.938 ( 0.746 0.074 2.269) 2.389 4.377 ( 10.266 -3.409 0.866) 10.852 4.440 ( -0.652 -1.175 -0.883) 1.608 4.716 ( 1.464 8.413 2.476) 8.891 4.944 ( -3.526 3.067 -4.899) 6.771 5.576 ( -0.667 2.759 1.426) 3.177 6.122 ( 3.900 -14.514 -2.164) 15.184 7.323 ( -19.485 -1.411 -8.601) 21.345======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( 1.880 2.395 -2.710) 4.076 2.361 ( 7.871 13.156 0.416) 15.337 2.865 ( 4.668 2.397 1.042) 5.350 3.957 ( 2.966 4.824 4.304) 7.113 3.992 ( 5.760 0.700 -1.042) 5.895 4.408 ( -0.889 -1.692 -1.644) 2.521 4.512 ( 10.457 -5.351 -0.832) 11.777 4.801 ( -0.434 7.242 -0.007) 7.255 4.889 ( -4.567 3.138 -4.517) 7.149 5.596 ( -0.419 2.242 0.974) 2.480 6.107 ( 7.611 -8.547 1.417) 11.532 6.933 ( -22.760 0.761 -7.660) 24.027======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 2.141 1.702 -1.956) 3.363 2.577 ( 3.247 12.170 0.208) 12.597 2.956 ( 3.981 -0.535 1.548) 4.305 4.045 ( 1.248 3.314 4.569) 5.780 4.098 ( 4.155 1.776 -0.591) 4.557 4.381 ( 0.911 -1.060 -2.916) 3.234 4.610 ( 9.326 -6.440 -3.114) 11.753 4.807 ( -5.504 4.951 -2.943) 7.967 4.881 ( 1.110 4.707 -0.308) 4.846 5.618 ( 1.020 1.887 -0.396) 2.181 6.192 ( 6.295 -3.042 4.959) 8.571 6.559 ( -18.817 0.348 -4.919) 19.452======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 1.645 1.266 -1.167) 2.381 2.706 ( -1.172 10.675 1.214) 10.808 2.977 ( 0.058 -3.258 -0.166) 3.263 4.040 ( -4.994 0.371 -0.018) 5.008 4.170 ( 2.468 1.702 2.569) 3.948 4.402 ( 2.798 -0.067 -3.448) 4.441 4.684 ( 4.300 0.584 -7.370) 8.553 4.785 ( 0.146 1.971 3.219) 3.778 4.947 ( 2.738 1.607 0.002) 3.175 5.668 ( 2.436 2.396 -0.996) 3.559 6.147 ( -15.743 5.452 1.527) 16.730 6.421 ( 8.285 -7.310 2.724) 11.379======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 0.683 0.753 -0.734) 1.254 2.738 ( -7.382 6.903 2.173) 10.338 2.910 ( -1.796 -3.785 -1.683) 4.515 3.940 ( -5.648 -0.562 0.396) 5.689 4.217 ( 0.445 1.669 -0.284) 1.751 4.433 ( 1.630 0.597 -1.479) 2.281 4.695 ( -2.998 5.123 -4.429) 7.406 4.848 ( 3.147 -0.695 2.531) 4.098 4.998 ( 3.403 -1.462 -0.939) 3.821 5.691 ( -3.925 1.414 -0.873) 4.262 5.996 ( -4.883 4.449 1.808) 6.849 6.548 ( 12.342 -6.783 2.882) 14.375======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( -0.686 0.368 -0.722) 1.062 2.575 ( -13.723 -2.159 -0.074) 13.892 2.885 ( -1.080 2.224 0.944) 2.646 3.864 ( -4.135 0.868 1.840) 4.608 4.212 ( -1.304 -0.173 -2.298) 2.648 4.459 ( 0.087 2.125 0.361) 2.157 4.660 ( -4.094 1.456 -0.970) 4.452 4.857 ( -2.225 -0.712 0.777) 2.462 5.020 ( 1.491 -0.294 -3.257) 3.594 5.578 ( -7.646 -0.519 1.607) 7.830 6.067 ( 6.606 1.218 0.585) 6.743 6.708 ( 13.582 -5.488 -1.370) 14.713======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.728 ( -2.832 0.714 -1.079) 3.114 2.293 ( -15.719 -3.912 -0.442) 16.205 2.889 ( -3.095 3.698 1.573) 5.072 3.823 ( -3.803 1.859 2.681) 5.011 4.156 ( -3.025 -2.040 -2.217) 4.269 4.475 ( -1.375 2.720 0.958) 3.195 4.574 ( -4.829 -4.065 1.104) 6.408 4.784 ( -5.005 0.771 0.073) 5.065 5.040 ( 0.285 3.520 -3.062) 4.674 5.479 ( -3.656 -1.109 1.533) 4.117 6.190 ( 9.680 -4.880 0.450) 10.850 6.874 ( 13.191 -3.833 -8.125) 15.959======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( -5.852 2.071 -1.717) 6.440 1.995 ( -16.115 -1.894 0.049) 16.226 2.847 ( -7.615 4.811 -0.108) 9.008 3.782 ( -4.465 1.827 2.714) 5.535 4.069 ( -3.788 -2.281 -0.985) 4.530 4.410 ( -7.417 -3.873 2.914) 8.860 4.500 ( -0.564 0.949 -0.347) 1.157 4.750 ( -1.250 1.615 3.556) 4.101 5.055 ( -3.098 5.149 -1.579) 6.213 5.458 ( 1.558 0.483 -0.492) 1.704 6.301 ( 12.893 -10.939 1.235) 16.954 7.000 ( 10.636 -3.183 -15.360) 18.952======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 0.000 4.181 -2.663) 4.957 1.864 ( -0.000 12.039 0.528) 12.051 2.746 ( 0.000 6.537 -4.223) 7.783 3.670 ( -0.000 5.383 1.097) 5.493 3.984 ( -0.000 2.085 -0.012) 2.086 4.132 ( -0.000 -6.214 6.064) 8.683 4.456 ( 0.000 -0.529 -0.603) 0.802 4.691 ( -0.000 12.628 3.930) 13.226 5.007 ( 0.000 2.893 -4.652) 5.478 5.586 ( 0.000 2.948 -1.105) 3.148 6.059 ( 0.000 -17.559 -3.017) 17.816 7.670 ( 0.000 -3.858 -8.435) 9.276======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( 0.213 2.096 -3.271) 3.891 2.038 ( 7.827 10.035 0.106) 12.727 2.781 ( 0.722 2.654 -2.145) 3.488 3.766 ( 4.339 5.401 0.524) 6.948 3.968 ( -2.160 0.277 3.403) 4.040 4.178 ( 8.183 -5.201 2.560) 10.028 4.440 ( -0.532 -1.076 -0.655) 1.368 4.822 ( -0.546 11.610 2.978) 11.998 5.006 ( -1.931 3.560 -4.420) 5.994 5.609 ( -0.033 2.576 -0.423) 2.610 5.917 ( 2.823 -13.496 -3.284) 14.174 7.522 ( -10.098 -2.390 -8.517) 13.424======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 1.318 1.236 -2.533) 3.112 2.299 ( 11.792 9.006 -0.436) 14.844 2.820 ( 2.855 0.250 0.631) 2.934 3.896 ( 5.608 2.742 -1.228) 6.362 3.983 ( 1.253 2.360 6.271) 6.816 4.280 ( 9.447 -5.531 -1.094) 11.001 4.415 ( -1.064 -1.152 -0.154) 1.576 4.902 ( -2.024 8.526 0.588) 8.783 4.979 ( -3.813 3.651 -3.644) 6.415 5.621 ( -0.664 0.858 -0.145) 1.094 5.896 ( 7.825 -7.269 -1.063) 10.733 7.248 ( -17.324 -0.316 -7.463) 18.866======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 2.216 1.165 -1.312) 2.826 2.567 ( 9.950 8.382 -1.389) 13.083 2.882 ( 4.302 -1.589 2.555) 5.250 3.992 ( 5.977 -0.779 1.141) 6.135 4.087 ( 2.664 5.266 3.435) 6.829 4.362 ( 4.027 -2.333 -3.812) 6.016 4.396 ( 4.149 -3.988 1.243) 5.888 4.924 ( -4.395 2.739 -2.529) 5.764 4.938 ( -2.382 6.223 -0.744) 6.705 5.615 ( 0.225 0.027 -0.518) 0.565 6.007 ( 10.553 -3.474 1.452) 11.204 6.908 ( -21.102 1.336 -5.218) 21.779======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 2.185 1.036 -0.377) 2.447 2.765 ( 5.193 7.489 -1.289) 9.205 2.924 ( 2.227 -4.111 1.993) 5.083 4.093 ( 6.478 -1.542 -0.151) 6.661 4.131 ( -3.186 1.787 1.850) 4.094 4.367 ( 1.121 0.786 -0.124) 1.375 4.508 ( 10.675 -1.261 -1.102) 10.806 4.869 ( -4.067 2.721 -0.977) 4.990 4.951 ( -0.975 2.302 -0.454) 2.541 5.639 ( 2.309 0.809 -0.049) 2.447 6.163 ( 10.768 -2.779 1.324) 11.200 6.551 ( -21.449 1.499 -2.300) 21.624======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 1.405 0.619 0.001) 1.535 2.867 ( -3.362 -2.082 0.277) 3.964 2.885 ( 2.026 1.300 -0.291) 2.425 4.048 ( -6.087 0.040 1.072) 6.180 4.168 ( 3.923 -1.805 -2.055) 4.782 4.419 ( 2.324 2.365 2.031) 3.888 4.681 ( 8.085 2.555 -2.806) 8.932 4.835 ( -2.034 0.204 3.128) 3.737 4.951 ( 0.551 -0.348 -1.410) 1.553 5.696 ( 2.841 0.852 0.089) 2.967 6.220 ( -15.849 -2.570 -0.046) 16.056 6.318 ( 8.714 -0.039 0.011) 8.714======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( 0.394 0.264 -0.100) 0.485 2.700 ( -7.976 -8.506 -1.241) 11.727 2.944 ( -0.421 4.919 1.476) 5.153 3.967 ( -5.217 1.875 2.760) 6.192 4.180 ( 1.631 -3.066 -3.052) 4.623 4.486 ( 1.031 3.370 2.592) 4.374 4.713 ( -3.148 -1.624 -2.106) 4.121 4.860 ( 2.063 -0.144 3.431) 4.006 4.970 ( 2.823 0.852 -3.829) 4.833 5.700 ( -4.577 -0.196 -0.055) 4.581 6.007 ( -3.506 -5.988 2.751) 7.464 6.473 ( 10.104 0.792 -3.905) 10.862======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( -0.671 0.425 -0.600) 0.996 2.454 ( -10.920 -8.007 -1.154) 13.590 2.979 ( -1.668 4.732 2.396) 5.560 3.925 ( -4.330 2.870 3.327) 6.169 4.147 ( -0.425 -3.976 -1.978) 4.461 4.528 ( -0.684 3.130 1.785) 3.667 4.602 ( -4.325 -6.381 0.710) 7.741 4.860 ( -3.286 0.950 0.349) 3.438 5.030 ( 3.586 3.457 -4.695) 6.845 5.572 ( -7.762 -1.280 1.686) 8.045 5.976 ( 6.454 -11.216 1.677) 13.048 6.639 ( 10.214 2.441 -8.342) 13.412======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( -2.167 1.258 -1.544) 2.943 2.195 ( -11.906 -4.966 -0.584) 12.914 2.991 ( -3.756 5.057 1.664) 6.515 3.888 ( -4.616 2.270 2.658) 5.790 4.083 ( -1.920 -3.760 -0.573) 4.261 4.472 ( -4.217 -6.724 3.852) 8.822 4.537 ( -1.755 2.490 -0.157) 3.051 4.803 ( -3.858 1.493 -0.167) 4.140 5.115 ( 2.524 5.262 -2.640) 6.405 5.470 ( -3.364 -0.700 1.274) 3.664 5.982 ( 9.422 -15.619 -0.196) 18.242 6.784 ( 8.538 2.201 -12.783) 15.529======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( 0.000 0.537 -3.252) 3.296 2.046 ( -0.000 6.915 -0.256) 6.920 2.776 ( 0.000 -0.513 -1.224) 1.327 3.788 ( -0.000 5.490 1.247) 5.629 4.019 ( -0.000 1.184 0.329) 1.229 4.050 ( -0.000 -5.955 5.556) 8.144 4.432 ( 0.000 -1.112 -0.390) 1.178 4.948 ( -0.000 10.128 1.965) 10.317 5.045 ( 0.000 4.212 -3.141) 5.254 5.627 ( 0.000 2.236 -1.494) 2.689 5.764 ( 0.000 -10.389 -3.174) 10.863 7.555 ( 0.000 -1.855 -8.249) 8.455======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( 0.819 0.307 -1.826) 2.025 2.179 ( 9.013 4.977 -0.538) 10.310 2.776 ( 1.685 -1.593 0.626) 2.402 3.858 ( 2.146 3.149 0.426) 3.834 4.004 ( 0.592 0.887 4.945) 5.059 4.098 ( 6.149 -4.045 -0.044) 7.360 4.419 ( -0.452 -0.785 0.273) 0.946 5.008 ( -1.752 5.455 -1.019) 5.820 5.064 ( -2.573 5.076 -1.025) 5.782 5.633 ( -0.743 -0.423 -0.997) 1.313 5.721 ( 5.376 -4.040 -2.171) 7.067 7.440 ( -9.002 -0.162 -7.192) 11.523======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( 1.905 0.826 -0.145) 2.081 2.413 ( 13.589 3.576 -1.355) 14.116 2.810 ( 3.362 -1.550 2.325) 4.372 3.912 ( 3.023 -0.162 0.764) 3.122 4.090 ( 3.409 3.131 3.187) 5.620 4.170 ( 8.542 -3.985 -0.887) 9.467 4.403 ( -1.123 -0.278 1.285) 1.729 5.000 ( -3.067 2.226 -1.427) 4.049 5.045 ( -4.026 3.920 -0.909) 5.692 5.610 ( -0.264 -0.774 -0.404) 0.912 5.820 ( 8.873 -1.078 -0.947) 8.988 7.215 ( -15.969 1.632 -5.250) 16.889======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 2.271 0.887 0.865) 2.587 2.654 ( 12.177 1.354 -2.017) 12.417 2.857 ( 2.769 -2.077 2.336) 4.176 3.973 ( 4.968 -1.333 -0.718) 5.194 4.147 ( 2.720 -2.155 0.269) 3.481 4.321 ( 8.303 2.446 0.578) 8.675 4.395 ( 0.577 0.581 3.702) 3.791 4.949 ( -3.777 0.944 -1.222) 4.080 5.007 ( -3.384 0.956 0.202) 3.522 5.615 ( 1.139 0.390 0.516) 1.310 5.966 ( 9.995 -1.015 -1.477) 10.155 6.915 ( -20.385 2.370 -2.687) 20.698======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 1.866 0.373 1.116) 2.206 2.783 ( 4.714 -7.508 0.135) 8.866 2.888 ( 2.645 2.462 -1.023) 3.755 4.025 ( 4.377 -3.080 -4.302) 6.866 4.152 ( -0.841 -0.825 2.227) 2.519 4.398 ( 2.769 1.486 2.080) 3.768 4.554 ( 9.577 3.991 3.135) 10.838 4.896 ( -3.444 0.143 1.160) 3.636 4.952 ( -2.117 -2.141 -0.058) 3.012 5.652 ( 2.526 -0.237 1.161) 2.790 6.108 ( 8.561 -1.300 -3.773) 9.446 6.583 ( -20.678 2.383 0.633) 20.824======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 1.111 -0.098 0.877) 1.419 2.690 ( -2.905 -11.387 -0.226) 11.753 2.969 ( 2.744 3.267 -0.841) 4.349 4.032 ( 1.156 -1.961 -2.228) 3.185 4.129 ( -1.351 -0.708 0.559) 1.625 4.484 ( 3.656 1.749 3.111) 5.110 4.708 ( 2.271 0.028 -2.265) 3.208 4.850 ( -0.567 -0.195 6.987) 7.012 4.926 ( 1.507 -0.941 -2.156) 2.794 5.689 ( 2.620 -2.681 0.901) 3.856 6.088 ( -8.814 -5.671 -4.109) 11.258 6.407 ( -1.493 5.943 1.690) 6.357======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.761 ( 0.368 -0.056 0.339) 0.503 2.501 ( -6.137 -10.909 -0.549) 12.529 3.031 ( 1.180 3.183 0.562) 3.441 4.021 ( -1.839 1.038 1.446) 2.559 4.096 ( -0.134 -3.318 -1.380) 3.596 4.551 ( 1.374 0.211 3.662) 3.917 4.617 ( -4.713 -5.316 -2.462) 7.519 4.913 ( 0.324 3.128 3.395) 4.627 4.964 ( 4.170 0.703 -2.897) 5.127 5.675 ( -2.207 -3.127 0.312) 3.840 5.839 ( -6.775 -9.916 -0.128) 12.010 6.529 ( 5.938 6.548 -2.248) 9.120======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.762 ( -0.377 0.450 -0.586) 0.829 2.293 ( -7.421 -7.745 -0.319) 10.731 3.074 ( -0.368 3.634 1.014) 3.790 3.988 ( -4.242 1.186 1.570) 4.676 4.058 ( 0.294 -4.031 -0.446) 4.066 4.472 ( -3.345 -6.788 1.077) 7.644 4.578 ( -0.693 1.112 0.421) 1.376 4.911 ( -5.100 3.679 1.489) 6.463 5.054 ( 6.446 1.730 -3.693) 7.628 5.555 ( -7.158 -1.745 1.954) 7.623 5.720 ( 4.160 -13.546 -1.387) 14.238 6.674 ( 5.446 5.509 -4.772) 9.098======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( 0.000 0.536 -0.182) 0.567 2.131 ( 0.000 2.311 -0.300) 2.330 2.748 ( -0.000 -1.410 1.546) 2.093 3.875 ( -0.000 2.298 0.526) 2.358 3.994 ( -0.000 -3.172 3.614) 4.809 4.031 ( -0.000 -0.040 0.237) 0.241 4.419 ( -0.000 -0.329 1.011) 1.063 5.055 ( 0.000 2.750 -1.576) 3.170 5.133 ( -0.000 3.487 -0.288) 3.498 5.624 ( 0.000 -2.592 -1.295) 2.897 5.649 ( 0.000 1.215 -1.740) 2.122 7.496 ( 0.000 1.315 -6.339) 6.474======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 1.001 1.319 1.550) 2.268 2.225 ( 9.452 0.258 -0.586) 9.474 2.765 ( 1.851 -0.080 2.657) 3.239 3.889 ( 0.604 -0.092 1.099) 1.257 4.012 ( 3.465 -4.334 -1.231) 5.684 4.068 ( 4.478 2.034 2.901) 5.710 4.420 ( -0.358 0.203 1.849) 1.894 5.053 ( -1.867 0.765 -0.947) 2.229 5.122 ( -2.649 0.349 -0.771) 2.781 5.610 ( -0.348 0.560 -0.439) 0.792 5.697 ( 5.094 0.832 -1.495) 5.374 7.425 ( -8.573 3.084 -4.858) 10.325======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 1.524 1.117 2.343) 3.010 2.413 ( 13.736 -2.714 -1.371) 14.069 2.813 ( 2.222 0.201 2.609) 3.433 3.911 ( 1.621 -0.310 0.513) 1.728 4.023 ( 5.399 -5.571 -1.882) 7.983 4.222 ( 8.572 3.742 3.136) 9.865 4.421 ( -0.869 0.508 2.773) 2.950 4.998 ( -3.043 -2.080 -1.590) 4.015 5.068 ( -3.374 -1.188 1.237) 3.785 5.614 ( -0.065 0.980 -0.263) 1.017 5.815 ( 7.721 2.027 -1.237) 8.077 7.240 ( -15.913 3.869 -2.920) 16.635======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 1.642 0.091 2.302) 2.829 2.572 ( 10.773 -8.362 -1.083) 13.681 2.855 ( 2.230 0.491 0.227) 2.295 3.926 ( 2.365 -2.099 -3.728) 4.889 4.087 ( 6.351 -3.115 2.477) 7.494 4.393 ( 2.357 2.759 0.945) 3.750 4.460 ( 6.962 2.818 4.850) 8.941 4.924 ( -1.486 -3.626 -1.248) 4.113 4.992 ( -4.529 -2.449 3.144) 6.033 5.620 ( 0.862 -1.124 -0.438) 1.482 5.972 ( 7.695 4.035 -1.599) 8.835 6.960 ( -20.727 3.342 -0.382) 20.998======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 1.523 -0.721 1.878) 2.523 2.574 ( 2.764 -13.348 -0.055) 13.631 2.918 ( 4.589 1.201 -1.933) 5.122 3.936 ( 3.642 -2.668 -4.787) 6.580 4.146 ( 1.323 -1.680 3.279) 3.915 4.443 ( 2.990 1.368 2.268) 3.994 4.641 ( 6.349 2.028 0.568) 6.690 4.873 ( 0.534 -5.255 -0.111) 5.283 4.915 ( -3.154 0.192 5.511) 6.353 5.614 ( 1.812 -4.207 -1.086) 4.707 6.103 ( 2.169 3.915 -3.119) 5.455 6.653 ( -18.278 3.536 3.779) 18.996======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 1.200 -0.704 1.348) 1.937 2.448 ( -1.530 -13.374 0.135) 13.462 3.000 ( 4.510 1.026 -1.548) 4.877 3.962 ( 4.094 -2.594 -3.666) 6.077 4.124 ( -2.577 -1.632 2.149) 3.732 4.521 ( 3.307 0.025 2.790) 4.327 4.626 ( -3.418 -5.233 -3.495) 7.161 4.865 ( 3.352 -3.174 -0.456) 4.639 4.971 ( 2.000 5.383 6.468) 8.649 5.592 ( 2.247 -6.450 -1.822) 7.069 5.997 ( -14.138 -1.441 -2.267) 14.391 6.562 ( -1.631 7.611 6.024) 9.842======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( -0.000 2.009 3.122) 3.712 2.133 ( 0.000 -2.043 -0.173) 2.050 2.770 ( -0.000 1.808 3.500) 3.939 3.868 ( 0.000 -3.085 -0.049) 3.085 3.975 ( -0.000 -0.808 1.843) 2.012 4.027 ( 0.000 -0.366 -0.167) 0.403 4.434 ( -0.000 0.604 2.308) 2.386 5.059 ( 0.000 -2.823 -1.458) 3.178 5.131 ( 0.000 -1.989 -0.073) 1.990 5.644 ( -0.000 4.956 0.397) 4.972 5.650 ( 0.000 0.113 -1.650) 1.654 7.520 ( 0.000 4.829 -4.092) 6.330======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 0.255 1.143 3.554) 3.742 2.178 ( 8.784 -4.828 -0.602) 10.042 2.810 ( 0.659 1.849 3.689) 4.178 3.867 ( 4.385 -4.149 0.874) 6.100 3.931 ( -2.448 -1.479 -1.177) 3.093 4.117 ( 8.016 1.550 1.462) 8.294 4.446 ( -0.367 0.644 2.594) 2.698 4.984 ( -1.441 -7.535 -2.583) 8.095 5.102 ( -1.779 -1.672 1.956) 3.128 5.628 ( -1.101 0.215 -1.615) 1.966 5.755 ( 4.493 7.256 1.004) 8.593 7.485 ( -8.878 5.653 -3.055) 10.959======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 0.696 -0.807 3.070) 3.250 2.288 ( 11.672 -9.275 -1.400) 14.974 2.838 ( 0.381 -0.186 2.183) 2.224 3.873 ( 0.529 -3.669 -3.678) 5.222 3.951 ( 6.720 -1.264 3.860) 7.852 4.305 ( 10.445 3.312 1.216) 11.024 4.452 ( -0.464 0.375 2.824) 2.886 4.877 ( -0.582 -8.806 -1.697) 8.987 5.049 ( -3.364 -2.111 2.940) 4.941 5.598 ( -0.800 -1.842 -2.397) 3.127 5.929 ( 5.533 9.758 1.947) 11.385 7.314 ( -16.735 5.072 -1.453) 17.547======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( 1.516 -2.217 2.423) 3.617 2.343 ( 8.352 -14.107 -1.265) 16.443 2.851 ( 2.497 -1.376 -0.156) 2.855 3.849 ( 2.017 -2.777 -4.136) 5.375 4.072 ( 6.364 -1.621 4.751) 8.105 4.433 ( 0.997 0.900 0.661) 1.497 4.537 ( 8.489 1.993 1.386) 8.829 4.797 ( 1.325 -7.642 -0.357) 7.764 4.982 ( -3.313 -1.391 4.128) 5.473 5.552 ( -0.246 -3.813 -3.023) 4.872 6.117 ( 3.678 10.205 2.012) 11.033 7.035 ( -20.911 3.937 1.827) 21.356======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 2.247 -2.265 1.974) 3.751 2.292 ( 3.672 -15.460 -0.252) 15.892 2.904 ( 5.632 -1.365 -1.420) 5.967 3.857 ( 3.640 -2.530 -3.851) 5.872 4.127 ( 0.864 -3.002 3.269) 4.521 4.476 ( 3.119 0.716 0.938) 3.334 4.593 ( -0.061 -6.155 -2.364) 6.594 4.786 ( 2.436 -2.773 -0.271) 3.701 4.994 ( 2.839 3.038 5.554) 6.938 5.502 ( 0.592 -4.552 -2.850) 5.403 6.195 ( -7.123 5.977 -0.556) 9.315 6.784 ( -13.573 5.795 8.872) 17.220======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( -0.000 -0.391 3.821) 3.841 2.045 ( 0.000 -7.145 -0.396) 7.156 2.841 ( -0.000 1.504 4.464) 4.710 3.777 ( 0.000 -5.834 0.281) 5.841 3.997 ( -0.000 2.337 0.735) 2.450 4.011 ( 0.000 -1.077 -0.435) 1.161 4.464 ( -0.000 0.521 2.361) 2.417 4.890 ( 0.000 -11.473 -3.100) 11.885 5.108 ( -0.000 -1.984 2.449) 3.152 5.631 ( 0.000 -1.071 -1.153) 1.574 5.817 ( -0.000 12.067 1.644) 12.179 7.610 ( 0.000 6.678 -3.186) 7.399======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( -0.191 -3.198 3.042) 4.418 2.025 ( 7.313 -10.620 -0.996) 12.933 2.848 ( -1.039 -1.870 3.707) 4.280 3.763 ( 4.344 -5.713 0.010) 7.177 3.932 ( -2.251 0.540 0.771) 2.440 4.159 ( 10.118 2.523 0.350) 10.434 4.471 ( -0.454 0.005 1.971) 2.023 4.767 ( 0.458 -11.976 -2.152) 12.176 5.080 ( -1.762 -2.422 2.641) 3.993 5.598 ( -1.717 -1.667 -1.470) 2.809 5.981 ( 3.119 14.147 2.581) 14.715 7.584 ( -9.477 6.403 -2.905) 11.801======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 1.163 -5.225 2.148) 5.768 2.045 ( 9.428 -14.601 -1.719) 17.465 2.806 ( -0.128 -5.281 1.949) 5.631 3.771 ( 2.542 -4.213 -2.511) 5.524 3.972 ( 5.260 -0.484 4.067) 6.666 4.364 ( 9.488 2.137 -0.352) 9.732 4.472 ( 0.917 0.249 1.651) 1.905 4.675 ( 2.354 -9.945 -1.181) 10.288 5.027 ( -2.735 -2.326 2.960) 4.653 5.538 ( -2.357 -2.106 -2.140) 3.817 6.189 ( 3.276 14.470 3.727) 15.297 7.404 ( -17.328 5.082 -1.070) 18.089======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 3.268 -5.456 1.744) 6.595 2.034 ( 7.963 -16.607 -1.348) 18.467 2.788 ( 4.309 -5.698 0.706) 7.178 3.766 ( 2.706 -3.136 -3.071) 5.156 4.064 ( 4.502 -2.986 3.710) 6.554 4.429 ( 2.270 -2.360 -0.424) 3.302 4.521 ( 1.082 -3.502 0.609) 3.715 4.691 ( 7.152 -1.289 -3.386) 8.017 4.989 ( 0.008 -1.058 3.921) 4.061 5.477 ( -1.714 -1.207 -1.724) 2.714 6.356 ( -1.789 12.109 2.783) 12.553 7.139 ( -18.741 4.527 4.964) 19.909======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( -0.000 -6.714 2.313) 7.101 1.847 ( 0.000 -12.959 -1.006) 12.998 2.837 ( -0.000 -6.312 3.654) 7.293 3.669 ( -0.000 -5.434 0.966) 5.519 3.986 ( -0.000 -1.183 0.182) 1.197 4.066 ( -0.000 3.961 -0.182) 3.965 4.478 ( -0.000 -0.749 1.429) 1.614 4.641 ( 0.000 -11.287 -0.783) 11.315 5.078 ( -0.000 -2.704 2.140) 3.448 5.595 ( 0.000 -2.035 -0.249) 2.050 6.114 ( -0.000 17.022 2.134) 17.155 7.716 ( 0.000 6.797 -4.322) 8.054======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( 0.666 -9.348 1.313) 9.463 1.760 ( 6.096 -15.880 -1.515) 17.077 2.747 ( -0.867 -11.672 2.122) 11.894 3.663 ( 3.920 -4.673 0.255) 6.105 3.941 ( -1.101 -0.632 1.428) 1.910 4.214 ( 10.355 2.744 -0.616) 10.730 4.464 ( 0.099 -3.001 1.390) 3.309 4.558 ( 0.575 -6.856 0.654) 6.911 5.046 ( -1.417 -2.606 1.714) 3.426 5.556 ( -2.037 -1.861 -0.279) 2.773 6.311 ( 1.994 17.658 2.949) 18.013 7.679 ( -9.902 6.037 -4.543) 12.456======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 3.562 -9.899 0.780) 10.549 1.719 ( 8.846 -17.556 -1.863) 19.747 2.642 ( 3.282 -13.440 1.402) 13.906 3.679 ( 2.969 -3.788 -1.637) 5.083 3.965 ( 4.188 -2.624 2.323) 5.461 4.357 ( 2.977 -3.437 1.251) 4.716 4.495 ( 6.689 1.185 -0.562) 6.816 4.523 ( 2.262 -3.788 -1.191) 4.570 5.003 ( -1.593 -1.938 2.009) 3.215 5.505 ( -2.211 -0.127 -0.467) 2.264 6.514 ( 0.375 16.145 3.790) 16.588 7.490 ( -16.566 4.638 -1.125) 17.240======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( 0.000 -12.934 0.518) 12.945 1.540 ( 0.000 -17.710 -1.506) 17.774 2.608 ( 0.000 -19.261 0.158) 19.262 3.589 ( -0.000 -3.786 1.450) 4.054 3.974 ( -0.000 -0.539 1.127) 1.249 4.115 ( 0.000 1.167 -1.330) 1.770 4.416 ( -0.000 -7.304 4.078) 8.366 4.534 ( -0.000 0.149 0.941) 0.953 5.037 ( -0.000 -2.430 0.516) 2.484 5.555 ( -0.000 -2.294 0.999) 2.502 6.481 ( -0.000 18.982 2.671) 19.169 7.803 ( 0.000 6.385 -7.535) 9.877======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 2.570 -14.306 -0.158) 14.536 1.410 ( 5.992 -18.909 -1.718) 19.910 2.415 ( 3.018 -23.048 -0.864) 23.261 3.590 ( 2.903 -3.233 0.531) 4.378 3.929 ( -1.868 -1.348 1.384) 2.687 4.233 ( 9.972 -0.139 -1.907) 10.154 4.367 ( 1.285 -7.364 5.306) 9.167 4.541 ( -0.939 1.934 0.358) 2.179 5.009 ( -0.833 -1.657 0.074) 1.856 5.529 ( -1.028 -1.198 1.044) 1.892 6.682 ( 0.764 18.043 4.161) 18.532 7.748 ( -9.847 5.504 -7.773) 13.699======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( 0.000 -17.259 -0.603) 17.270 1.163 ( 0.000 -20.062 -1.443) 20.114 2.118 ( 0.000 -29.716 -3.256) 29.894 3.542 ( -0.000 -2.291 1.664) 2.831 3.978 ( -0.000 -0.017 1.229) 1.229 4.094 ( 0.000 -2.007 -1.376) 2.434 4.311 ( -0.000 -8.039 7.910) 11.278 4.572 ( 0.000 2.589 -0.790) 2.706 5.002 ( 0.000 -0.752 -0.776) 1.080 5.526 ( -0.000 -1.812 2.293) 2.923 6.864 ( -0.000 17.428 6.310) 18.535 7.852 ( 0.000 6.095 -13.213) 14.551======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( -0.000 0.000 17.876) 17.876 0.398 ( -0.000 0.000 17.876) 17.876 0.692 ( -0.000 0.000 31.822) 31.822 3.502 ( 0.000 0.000 -0.035) 0.035 3.502 ( 0.000 -0.000 -0.035) 0.035 3.951 ( 0.000 -0.000 -3.140) 3.140 3.951 ( 0.000 -0.000 -3.140) 3.140 4.961 ( 0.000 -0.000 -7.079) 7.079 5.524 ( -0.000 0.000 2.255) 2.255 5.524 ( -0.000 0.000 2.255) 2.255 6.018 ( -0.000 0.000 2.519) 2.519 9.376 ( -0.000 0.000 0.624) 0.624======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( 10.427 6.020 14.172) 18.596 0.607 ( 10.801 6.236 13.114) 18.098 1.041 ( 19.137 11.049 18.912) 29.085 3.526 ( 1.406 0.812 0.362) 1.663 3.685 ( 10.496 6.060 -7.719) 14.369 3.937 ( 0.017 0.010 -3.216) 3.216 4.041 ( 9.484 5.475 -3.265) 11.427 4.873 ( -5.903 -3.408 -3.366) 7.602 5.148 ( -11.268 -6.505 12.207) 17.841 5.579 ( 1.850 1.068 3.215) 3.860 6.585 ( 24.251 14.001 -21.025) 35.017 8.797 ( -37.064 -21.399 22.665) 48.428======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.881 ( 12.204 7.046 8.158) 16.283 0.921 ( 13.697 7.908 8.209) 17.820 1.562 ( 22.689 13.099 6.618) 27.022 3.567 ( 2.163 1.249 0.809) 2.625 3.864 ( 8.596 4.963 -3.723) 10.602 3.932 ( 0.503 0.290 -2.953) 3.009 4.307 ( 13.995 8.080 -1.687) 16.247 4.734 ( -5.698 -3.290 1.693) 6.794 5.032 ( -4.234 -2.445 3.863) 6.231 5.617 ( 0.493 0.285 2.528) 2.591 6.857 ( 8.413 4.857 -18.985) 21.326 8.098 ( -33.013 -19.060 17.202) 41.822======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.167 ( 11.676 6.741 2.273) 13.673 1.255 ( 14.108 8.145 4.662) 16.944 2.065 ( 21.266 12.278 0.094) 24.557 3.628 ( 3.015 1.741 1.289) 3.713 3.940 ( 1.035 0.598 -2.449) 2.726 4.055 ( 8.784 5.072 1.322) 10.229 4.579 ( 4.727 2.729 -2.662) 6.073 4.676 ( 5.220 3.014 7.241) 9.421 4.946 ( -4.188 -2.418 -0.616) 4.875 5.615 ( -1.278 -0.738 0.849) 1.703 6.884 ( 0.337 0.195 -15.118) 15.123 7.425 ( -31.573 -18.229 6.306) 36.999======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( 9.716 5.609 -1.991) 11.394 1.567 ( 12.694 7.329 2.166) 14.816 2.494 ( 17.499 10.103 -2.168) 20.322 3.709 ( 3.763 2.173 1.485) 4.592 3.960 ( 1.380 0.797 -1.597) 2.256 4.248 ( 7.430 4.290 5.123) 9.992 4.555 ( -1.752 -1.011 1.492) 2.514 4.839 ( -4.289 -2.476 -2.393) 5.500 4.946 ( 11.422 6.595 4.196) 13.841 5.571 ( -2.477 -1.430 -0.640) 2.931 6.744 ( -29.541 -17.056 3.135) 34.255 6.810 ( -2.569 -1.483 -17.188) 17.442======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( 6.704 3.870 -3.926) 8.679 1.824 ( 9.923 5.729 0.764) 11.483 2.816 ( 12.117 6.996 -2.487) 14.211 3.799 ( 3.796 2.191 0.911) 4.476 3.988 ( 1.390 0.802 -0.320) 1.636 4.415 ( 5.375 3.103 7.555) 9.777 4.524 ( -1.961 -1.132 0.643) 2.354 4.754 ( -1.178 -0.680 -4.408) 4.613 5.174 ( 7.253 4.188 3.118) 8.937 5.511 ( -2.439 -1.408 -0.874) 2.949 6.112 ( -25.184 -14.540 -6.069) 29.707 6.735 ( -0.674 -0.389 -7.017) 7.060======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 3.772 2.178 -3.872) 5.828 2.007 ( 6.352 3.667 0.285) 7.340 3.008 ( 6.189 3.573 -3.766) 8.078 3.875 ( 2.798 1.616 -0.265) 3.242 4.014 ( 0.773 0.447 0.903) 1.270 4.431 ( -4.729 -2.730 -0.013) 5.461 4.547 ( 3.095 1.787 2.277) 4.237 4.794 ( 5.670 3.274 -0.729) 6.587 5.252 ( -1.887 -1.090 -2.217) 3.108 5.468 ( -1.168 -0.674 0.428) 1.415 5.650 ( -12.788 -7.383 -3.290) 15.128 6.745 ( 2.559 1.477 1.232) 3.201======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( 2.089 1.206 -2.893) 3.767 2.105 ( 2.353 1.359 0.307) 2.734 3.071 ( 1.409 0.813 -6.334) 6.540 3.917 ( 1.138 0.657 -1.148) 1.745 4.021 ( -0.600 -0.346 1.242) 1.422 4.318 ( -4.270 -2.465 -4.910) 6.958 4.584 ( 0.207 0.120 -0.349) 0.423 4.967 ( 8.290 4.786 2.263) 9.836 5.095 ( -7.459 -4.307 -3.774) 9.404 5.467 ( 0.548 0.317 2.423) 2.505 5.534 ( -0.533 -0.308 1.855) 1.954 6.854 ( 5.468 3.157 8.920) 10.928======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 1.251 0.722 -1.659) 2.199 2.112 ( -1.896 -1.095 0.563) 2.261 3.048 ( -0.946 -0.546 -6.976) 7.061 3.906 ( -2.009 -1.160 -1.743) 2.902 4.005 ( -0.779 -0.450 0.913) 1.282 4.218 ( -2.665 -1.539 -7.608) 8.207 4.569 ( -0.833 -0.481 -2.048) 2.262 4.934 ( -5.972 -3.448 2.381) 7.296 5.146 ( 4.927 2.845 -1.134) 5.801 5.503 ( 1.588 0.917 3.691) 4.121 5.587 ( 5.407 3.122 2.984) 6.920 7.040 ( 7.377 4.259 14.420) 16.748======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( -1.397 -0.806 -0.670) 1.746 2.022 ( -6.518 -3.763 0.830) 7.572 2.991 ( -2.522 -1.456 -4.124) 5.049 3.821 ( -4.608 -2.661 -2.191) 5.755 3.997 ( -0.286 -0.165 0.321) 0.461 4.150 ( -1.006 -0.581 -7.838) 7.924 4.540 ( -1.155 -0.667 -1.760) 2.208 4.809 ( -6.230 -3.597 1.390) 7.327 5.165 ( -1.855 -1.071 -1.773) 2.781 5.551 ( 1.330 0.768 3.316) 3.655 5.813 ( 13.270 7.662 1.940) 15.446 7.267 ( 7.897 4.560 16.899) 19.203======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( -6.641 -3.834 -0.517) 7.686 1.826 ( -11.414 -6.590 0.838) 13.206 2.879 ( -7.961 -4.596 -0.337) 9.199 3.706 ( -4.656 -2.688 -2.416) 5.894 3.991 ( -0.284 -0.164 -0.213) 0.391 4.118 ( -0.002 -0.001 -4.759) 4.759 4.508 ( -1.215 -0.701 -1.167) 1.825 4.669 ( -5.821 -3.361 -3.663) 7.655 5.098 ( -3.273 -1.890 0.063) 3.780 5.576 ( 0.099 0.057 1.457) 1.461 6.148 ( 16.365 9.448 -1.202) 18.935 7.494 ( 7.091 4.094 16.377) 18.310======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( -11.733 -6.774 -0.497) 13.557 1.528 ( -15.464 -8.928 0.765) 17.873 2.599 ( -17.769 -10.259 1.720) 20.590 3.608 ( -3.386 -1.955 -2.181) 4.477 3.984 ( -0.184 -0.106 -0.724) 0.754 4.110 ( -0.123 -0.071 -0.451) 0.473 4.461 ( -3.764 -2.173 -4.030) 5.927 4.557 ( -1.448 -0.836 -3.930) 4.271 5.034 ( -2.455 -1.417 1.020) 3.013 5.565 ( -1.171 -0.676 -0.859) 1.602 6.515 ( 17.197 9.929 -3.805) 20.218 7.689 ( 5.676 3.277 14.082) 15.533======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( -0.000 10.243 12.838) 16.424 0.669 ( -0.000 11.805 15.755) 19.687 1.126 ( -0.000 21.179 19.035) 28.475 3.491 ( 0.000 -0.123 -0.201) 0.236 3.695 ( 0.000 14.164 -6.187) 15.456 3.931 ( 0.000 0.229 -3.713) 3.720 3.978 ( 0.000 4.504 -2.491) 5.147 4.857 ( 0.000 -5.439 -5.545) 7.767 5.209 ( -0.000 -15.502 13.246) 20.390 5.495 ( -0.000 -1.872 1.432) 2.357 6.567 ( 0.000 28.374 -14.816) 32.009 8.907 ( -0.000 -35.324 16.884) 39.152======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( 7.770 11.507 9.989) 17.105 0.889 ( 6.066 12.049 11.891) 17.982 1.482 ( 10.098 22.096 9.060) 25.929 3.528 ( 3.489 0.261 0.167) 3.503 3.801 ( 1.842 7.236 -3.724) 8.344 3.948 ( 0.805 4.634 -4.160) 6.279 4.133 ( 12.739 5.938 -2.176) 14.223 4.759 ( -2.679 -5.721 -2.015) 6.631 5.087 ( -4.163 -5.880 6.829) 9.927 5.544 ( 5.234 -3.655 1.591) 6.580 6.774 ( 4.036 12.948 -13.820) 19.363 8.434 ( -23.034 -26.600 15.268) 38.356======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 7.396 10.008 6.435) 14.009 1.178 ( 10.071 12.667 6.466) 17.427 1.909 ( 14.676 18.856 1.134) 23.921 3.598 ( 3.435 1.790 0.729) 3.941 3.881 ( 3.997 0.414 -1.237) 4.204 4.031 ( 3.124 8.995 -1.690) 9.670 4.431 ( 14.988 5.953 -1.954) 16.245 4.669 ( -1.372 -4.271 2.008) 4.915 4.993 ( -4.208 -3.253 1.348) 5.487 5.578 ( 2.577 -4.048 0.807) 4.866 6.836 ( 0.420 2.296 -11.677) 11.908 7.805 ( -30.185 -19.305 7.776) 36.664======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( 7.362 7.937 0.838) 10.858 1.488 ( 9.926 12.725 3.646) 16.546 2.321 ( 15.524 14.283 -1.944) 21.184 3.681 ( 3.336 3.019 1.122) 4.637 3.933 ( 2.490 0.936 -1.784) 3.203 4.199 ( 6.481 7.170 2.946) 10.104 4.560 ( -0.127 -1.657 -0.742) 1.820 4.794 ( 13.965 3.073 4.118) 14.880 4.886 ( -5.024 -2.459 -2.600) 6.168 5.560 ( -0.062 -3.986 0.114) 3.988 6.778 ( -1.566 -3.107 -8.831) 9.491 7.131 ( -32.786 -13.671 -0.602) 35.527======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 6.392 5.596 -2.744) 8.927 1.766 ( 7.908 11.749 1.819) 14.279 2.671 ( 13.246 9.533 -2.230) 16.472 3.773 ( 3.258 3.644 1.005) 4.990 3.976 ( 1.711 1.919 -1.317) 2.889 4.381 ( 6.141 5.363 4.902) 9.514 4.539 ( -0.627 -1.925 2.291) 3.058 4.772 ( -4.170 -1.094 -5.148) 6.715 5.043 ( 11.623 0.174 0.731) 11.647 5.513 ( -1.224 -2.888 0.720) 3.218 6.472 ( -31.466 -8.652 -4.467) 32.938 6.699 ( -0.232 -3.336 -5.859) 6.747======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 4.508 3.360 -3.853) 6.816 1.983 ( 4.879 10.057 0.945) 11.218 2.915 ( 8.359 5.128 -2.847) 10.211 3.859 ( 2.397 3.787 0.155) 4.485 4.016 ( 0.974 2.130 -0.080) 2.343 4.483 ( -3.222 -2.440 -1.864) 4.450 4.531 ( 2.659 3.493 6.069) 7.491 4.740 ( 2.763 2.337 -3.237) 4.855 5.156 ( 5.735 -6.573 -3.949) 9.576 5.490 ( -0.517 0.709 2.559) 2.705 5.927 ( -24.930 -1.137 -5.210) 25.494 6.691 ( 3.760 -2.526 1.618) 4.810======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 2.751 1.850 -3.472) 4.801 2.124 ( 1.190 8.052 0.775) 8.177 3.025 ( 2.878 1.619 -5.163) 6.129 3.922 ( 0.867 3.718 -0.755) 3.891 4.038 ( -0.732 0.959 0.627) 1.359 4.373 ( -5.496 -0.914 -4.455) 7.134 4.585 ( 0.072 0.890 0.247) 0.927 4.876 ( 8.347 4.671 1.076) 9.626 5.095 ( -0.961 -8.489 -4.179) 9.510 5.521 ( 0.037 3.925 2.937) 4.902 5.621 ( -11.835 2.751 -0.610) 12.166 6.785 ( 7.347 -1.223 8.337) 11.179======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( 1.890 1.100 -2.588) 3.389 2.180 ( -2.968 5.968 0.997) 6.739 3.024 ( -0.290 -0.507 -7.045) 7.069 3.950 ( -1.876 3.752 -1.243) 4.375 4.008 ( -1.641 -2.232 -0.234) 2.780 4.273 ( -5.073 2.756 -6.002) 8.328 4.572 ( -0.940 -0.300 -2.591) 2.773 4.986 ( -3.337 -4.711 1.026) 5.863 5.065 ( 7.816 3.354 0.582) 8.525 5.528 ( -3.458 1.620 2.592) 4.615 5.592 ( 1.901 5.934 2.598) 6.751 6.959 ( 9.912 -0.632 12.863) 16.252======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 0.640 -0.068 -1.673) 1.793 2.143 ( -7.581 3.526 1.313) 8.464 2.979 ( -0.713 -1.851 -5.849) 6.176 3.888 ( -5.675 -0.949 -1.208) 5.879 3.987 ( 0.111 0.342 -2.102) 2.132 4.215 ( -4.761 6.176 -5.476) 9.529 4.542 ( -0.840 -0.677 -2.588) 2.804 4.886 ( -5.568 -3.574 2.924) 7.234 5.155 ( 1.351 -0.770 -1.624) 2.248 5.528 ( 1.122 -0.893 3.894) 4.150 5.748 ( 6.930 10.513 1.557) 12.688 7.180 ( 11.261 -0.885 14.691) 18.531======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( -3.338 -2.402 -1.232) 4.293 2.000 ( -12.494 0.259 1.339) 12.568 2.917 ( -2.585 -3.819 -2.628) 5.308 3.773 ( -5.783 -1.301 -1.228) 6.053 3.981 ( -0.624 0.785 -2.735) 2.913 4.195 ( -4.100 8.252 -3.374) 9.813 4.512 ( -0.898 -1.036 -1.711) 2.192 4.742 ( -7.825 -3.837 -0.022) 8.715 5.118 ( -1.900 -2.576 -1.209) 3.422 5.551 ( 1.692 -2.393 2.818) 4.066 6.018 ( 11.621 12.100 -0.945) 16.803 7.405 ( 11.139 -1.945 13.721) 17.780======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( -8.968 -4.452 -0.960) 10.058 1.745 ( -16.792 -2.923 1.221) 17.088 2.760 ( -10.593 -6.909 -0.406) 12.654 3.669 ( -5.400 -0.085 -0.919) 5.478 3.960 ( -0.933 -0.526 -2.135) 2.388 4.211 ( -3.697 9.350 -0.041) 10.055 4.480 ( -1.610 -1.246 -1.593) 2.585 4.578 ( -5.601 -3.090 -3.397) 7.243 5.057 ( -2.071 -2.400 -0.249) 3.180 5.552 ( 0.588 -2.723 0.616) 2.853 6.342 ( 14.344 11.412 -3.138) 18.596 7.599 ( 10.118 -3.625 10.727) 15.185======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( -0.000 14.754 7.941) 16.756 1.007 ( -0.000 12.140 12.779) 17.626 1.670 ( -0.000 25.351 5.829) 26.013 3.497 ( -0.000 0.831 0.142) 0.843 3.912 ( 0.000 0.560 -3.574) 3.618 3.916 ( 0.000 13.119 -4.280) 13.800 4.071 ( -0.000 5.683 -0.200) 5.686 4.712 ( 0.000 -6.174 -2.398) 6.623 5.083 ( -0.000 -6.460 5.772) 8.663 5.480 ( -0.000 -0.469 0.918) 1.031 6.818 ( 0.000 7.426 -8.532) 11.311 8.404 ( -0.000 -27.111 9.542) 28.741======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( 4.226 13.833 6.923) 16.036 1.194 ( 5.179 12.162 8.175) 15.542 1.960 ( 4.723 23.479 0.201) 23.950 3.548 ( 4.195 1.608 0.468) 4.517 3.868 ( -1.478 2.358 -1.225) 3.041 4.075 ( 2.003 10.098 -2.844) 10.680 4.234 ( 12.834 5.242 0.130) 13.864 4.642 ( -0.751 -5.213 -0.542) 5.295 5.022 ( -2.581 -4.021 1.806) 5.107 5.505 ( 2.383 -1.008 0.763) 2.698 6.817 ( -0.610 -2.064 -5.580) 5.980 8.040 ( -17.249 -20.251 3.007) 26.771======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( 3.115 9.344 3.433) 10.431 1.482 ( 9.124 14.812 4.521) 17.975 2.268 ( 8.399 18.472 -2.689) 20.469 3.651 ( 4.671 3.151 0.729) 5.681 3.893 ( 2.181 1.522 -0.745) 2.761 4.200 ( 3.331 8.582 0.735) 9.235 4.494 ( 9.272 1.870 -2.482) 9.779 4.620 ( 5.909 -2.280 3.573) 7.272 4.934 ( -4.241 -2.403 -1.931) 5.243 5.524 ( 0.856 -1.502 1.075) 2.036 6.725 ( -1.333 -9.338 -3.192) 9.958 7.510 ( -26.710 -11.625 -4.128) 29.421======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 3.791 6.804 -0.921) 7.843 1.781 ( 7.583 15.034 2.923) 17.090 2.567 ( 10.374 12.524 -2.320) 16.427 3.761 ( 3.673 4.425 0.982) 5.834 3.949 ( 2.907 1.714 -1.393) 3.650 4.355 ( 5.207 6.716 2.867) 8.968 4.525 ( 0.675 -1.878 1.025) 2.244 4.820 ( 11.712 -2.424 0.967) 11.999 4.828 ( -3.778 -0.017 -5.974) 7.068 5.518 ( -0.749 -0.586 2.474) 2.651 6.595 ( -0.444 -13.598 1.686) 13.710 6.938 ( -29.513 -1.919 -10.878) 31.512======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 3.690 4.468 -2.952) 6.503 2.032 ( 4.521 14.302 1.852) 15.113 2.820 ( 8.898 7.282 -1.597) 11.608 3.862 ( 2.659 4.913 0.733) 5.634 4.011 ( 2.480 2.475 -0.825) 3.600 4.466 ( 1.395 -0.824 -0.873) 1.841 4.558 ( 2.326 3.749 5.531) 7.075 4.742 ( -2.458 1.992 -5.181) 6.071 4.949 ( 8.454 -7.106 -4.808) 12.045 5.520 ( -0.558 1.551 3.392) 3.771 6.332 ( -23.196 -4.409 -1.557) 23.663 6.607 ( -0.779 -2.775 -3.343) 4.414======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( 2.824 2.755 -3.199) 5.079 2.215 ( 0.990 12.874 1.591) 13.009 2.974 ( 4.271 3.145 -2.679) 5.942 3.943 ( 1.309 4.664 -0.306) 4.854 4.063 ( 0.365 2.595 0.614) 2.692 4.421 ( -2.596 -1.426 -4.088) 5.048 4.614 ( -1.887 2.625 0.540) 3.278 4.799 ( 6.038 4.693 -0.488) 7.663 4.958 ( 4.964 -8.714 -4.266) 10.898 5.553 ( 0.593 2.888 2.240) 3.703 5.941 ( -20.906 4.404 -2.514) 21.512 6.651 ( 7.943 -4.874 6.558) 11.395======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 1.919 1.817 -2.713) 3.787 2.321 ( -2.933 11.193 1.950) 11.734 3.007 ( -0.279 0.242 -4.758) 4.772 3.986 ( -0.079 2.049 -1.839) 2.754 4.058 ( -3.720 2.097 1.017) 4.390 4.361 ( -3.220 3.566 -5.555) 7.344 4.583 ( -2.107 0.274 -3.502) 4.096 4.939 ( 3.548 -3.783 -1.154) 5.313 4.974 ( 6.997 1.950 2.188) 7.586 5.600 ( 0.123 2.791 0.334) 2.814 5.722 ( -10.945 6.857 2.114) 13.088 6.796 ( 11.094 -4.935 10.648) 16.150======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 1.114 0.979 -2.116) 2.583 2.341 ( -7.606 9.017 2.476) 12.053 2.959 ( -1.687 -1.706 -5.387) 5.897 3.935 ( -3.415 -3.796 -1.302) 5.269 4.040 ( -3.197 6.201 -1.558) 7.149 4.341 ( -3.644 7.255 -4.656) 9.359 4.542 ( -1.240 -0.265 -3.489) 3.712 4.922 ( -1.185 -3.256 2.286) 4.151 5.098 ( 4.260 -0.181 -0.441) 4.287 5.564 ( -4.213 0.751 2.324) 4.870 5.766 ( 3.086 9.576 1.489) 10.170 6.988 ( 13.094 -5.751 11.673) 18.460======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( -1.083 -0.507 -1.720) 2.095 2.247 ( -13.007 5.142 2.257) 14.167 2.900 ( -1.089 -2.728 -3.429) 4.515 3.835 ( -4.081 -2.726 0.029) 4.908 4.037 ( -3.269 6.015 -3.718) 7.790 4.342 ( -3.956 8.882 -2.749) 10.104 4.510 ( -0.983 -0.429 -2.375) 2.606 4.838 ( -6.510 -3.160 1.852) 7.470 5.102 ( -0.188 -3.111 -2.122) 3.770 5.530 ( -1.001 -1.618 3.692) 4.153 5.966 ( 8.212 11.344 -1.363) 14.070 7.190 ( 13.875 -7.286 9.979) 18.579======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( -5.464 -1.872 -1.460) 5.957 2.027 ( -17.284 0.821 1.672) 17.384 2.825 ( -4.400 -3.522 -1.551) 5.845 3.751 ( -4.397 -0.777 1.188) 4.620 4.015 ( -4.021 4.624 -4.035) 7.337 4.363 ( -3.270 8.521 -0.228) 9.130 4.487 ( -0.856 0.570 -1.266) 1.631 4.670 ( -9.306 -3.093 -0.230) 9.809 5.052 ( -0.983 -3.086 -1.823) 3.717 5.514 ( 0.425 -3.019 2.282) 3.808 6.227 ( 11.201 10.592 -3.500) 15.808 7.367 ( 13.334 -9.355 6.027) 17.367======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( -0.000 16.362 4.518) 16.975 1.291 ( -0.000 9.669 7.721) 12.373 2.152 ( 0.000 23.152 -2.500) 23.287 3.526 ( -0.000 2.010 0.649) 2.112 3.910 ( 0.000 1.533 -2.367) 2.820 4.148 ( -0.000 12.750 -0.841) 12.777 4.175 ( -0.000 3.701 3.261) 4.933 4.598 ( 0.000 -4.415 -0.425) 4.435 5.011 ( 0.000 -3.330 0.188) 3.335 5.492 ( -0.000 1.235 0.376) 1.290 6.753 ( 0.000 -10.108 -2.084) 10.320 8.001 ( 0.000 -16.720 -2.997) 16.987======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( 0.495 8.226 3.652) 9.014 1.503 ( 6.773 15.614 3.415) 17.359 2.362 ( 1.908 19.351 -4.127) 19.878 3.596 ( 4.798 2.963 0.663) 5.678 3.904 ( -1.070 2.201 -0.233) 2.458 4.241 ( 2.054 6.039 0.597) 6.406 4.345 ( 8.848 6.252 2.621) 11.146 4.566 ( 0.557 -2.588 1.452) 3.019 4.962 ( -2.379 -1.758 -2.497) 3.871 5.515 ( 0.656 1.344 0.523) 1.585 6.611 ( -0.589 -16.368 -0.844) 16.400 7.729 ( -14.034 -9.959 -8.130) 19.032======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 1.243 6.178 -0.242) 6.307 1.800 ( 8.998 15.293 2.555) 17.926 2.562 ( 4.598 13.928 -2.951) 14.962 3.726 ( 5.878 4.170 0.099) 7.207 3.925 ( 1.103 1.753 0.959) 2.283 4.355 ( 4.125 5.867 1.742) 7.381 4.477 ( 3.094 -2.006 -0.570) 3.731 4.636 ( 7.410 1.457 3.520) 8.332 4.887 ( -4.086 0.303 -4.852) 6.350 5.538 ( 0.012 1.469 1.883) 2.388 6.441 ( 0.967 -17.839 0.200) 17.866 7.319 ( -22.701 -3.073 -11.343) 25.563======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( 2.151 4.411 -2.256) 5.401 2.090 ( 7.026 15.047 1.724) 16.696 2.760 ( 6.703 8.552 -0.851) 10.899 3.859 ( 4.419 5.292 -0.047) 6.895 3.979 ( 2.995 1.565 1.335) 3.633 4.440 ( 0.282 -0.881 0.005) 0.925 4.539 ( 6.636 2.618 1.793) 7.356 4.753 ( 5.544 -2.837 -0.255) 6.232 4.810 ( -4.371 2.740 -6.151) 8.028 5.558 ( -0.528 1.944 2.604) 3.292 6.332 ( 4.048 -14.137 3.409) 15.095 6.870 ( -24.689 2.060 -11.557) 27.338======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( 2.433 3.107 -2.584) 4.717 2.323 ( 3.239 14.290 1.410) 14.721 2.924 ( 5.305 4.158 -0.330) 6.748 3.966 ( 1.928 5.377 0.282) 5.719 4.062 ( 3.571 2.535 1.649) 4.680 4.408 ( -0.507 -2.724 -2.330) 3.620 4.684 ( 2.673 4.518 2.976) 6.035 4.743 ( 1.385 -3.563 -9.158) 9.924 4.797 ( 2.561 0.910 0.277) 2.732 5.578 ( 0.004 2.143 1.204) 2.458 6.270 ( -8.200 -2.696 2.619) 9.020 6.545 ( -6.493 -1.448 -3.254) 7.406======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 1.981 2.326 -2.213) 3.772 2.481 ( -0.681 13.033 1.963) 13.197 2.998 ( 0.936 0.756 -1.735) 2.111 4.014 ( -1.324 2.686 -0.697) 3.074 4.130 ( -0.141 3.175 2.600) 4.106 4.382 ( 0.772 0.440 -4.598) 4.683 4.633 ( -4.344 1.366 -7.112) 8.445 4.811 ( 6.891 -3.490 1.333) 7.838 4.894 ( 5.417 3.578 0.904) 6.555 5.613 ( 1.233 2.672 -0.184) 2.948 6.038 ( -17.474 6.193 -0.185) 18.540 6.583 ( 10.435 -7.486 6.991) 14.622======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( 1.187 1.701 -1.823) 2.762 2.561 ( -5.116 11.375 2.978) 12.823 2.965 ( -2.580 -1.892 -3.389) 4.660 3.963 ( -4.158 -1.547 -0.860) 4.519 4.148 ( -2.585 4.923 0.729) 5.608 4.402 ( 0.917 2.840 -4.302) 5.236 4.574 ( -2.843 3.545 -5.827) 7.389 4.881 ( 3.516 -2.103 2.192) 4.646 5.013 ( 5.491 0.249 0.101) 5.498 5.646 ( -1.578 2.478 -1.193) 3.171 5.882 ( -7.765 7.345 2.843) 11.060 6.730 ( 13.065 -8.902 8.043) 17.738======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( -0.075 0.807 -1.659) 1.847 2.527 ( -11.744 7.010 2.855) 13.972 2.889 ( -1.725 -2.019 -2.697) 3.785 3.876 ( -3.856 -1.586 0.745) 4.235 4.146 ( -3.418 5.495 -2.391) 6.899 4.426 ( 0.197 2.498 -2.309) 3.407 4.555 ( -3.089 5.655 -3.771) 7.466 4.888 ( -1.582 -2.010 1.906) 3.190 5.054 ( 1.468 -3.059 -2.390) 4.151 5.589 ( -5.253 0.130 2.178) 5.688 5.953 ( 4.295 8.766 0.142) 9.763 6.892 ( 14.403 -10.601 5.941) 18.845======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( -2.611 -0.028 -1.715) 3.124 2.329 ( -16.579 0.869 1.452) 16.665 2.853 ( -1.929 0.112 -0.415) 1.977 3.814 ( -3.438 -0.142 2.384) 4.186 4.120 ( -4.141 4.462 -4.274) 7.438 4.438 ( -0.445 1.519 -0.460) 1.648 4.551 ( -3.234 6.072 -1.183) 6.980 4.793 ( -7.365 -2.062 0.455) 7.662 5.021 ( 0.137 -2.642 -3.316) 4.243 5.519 ( -3.110 -1.987 3.171) 4.866 6.141 ( 8.510 7.742 -2.457) 11.764 7.038 ( 14.555 -12.324 1.348) 19.120======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( -0.000 6.245 1.428) 6.406 1.602 ( -0.000 15.182 1.916) 15.303 2.507 ( 0.000 16.324 -5.029) 17.081 3.587 ( -0.000 3.674 1.378) 3.924 3.938 ( 0.000 2.462 -0.851) 2.605 4.232 ( -0.000 -0.873 5.428) 5.498 4.391 ( -0.000 9.775 2.387) 10.062 4.553 ( -0.000 0.605 2.418) 2.493 4.961 ( 0.000 -0.371 -3.942) 3.959 5.528 ( 0.000 2.414 -0.478) 2.461 6.432 ( 0.000 -20.525 -0.991) 20.549 7.727 ( 0.000 -7.033 -11.247) 13.265======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 0.139 4.515 -1.242) 4.685 1.807 ( 6.941 13.812 1.119) 15.499 2.635 ( 1.085 11.753 -3.520) 12.317 3.673 ( 4.547 4.426 0.999) 6.424 3.950 ( -0.803 2.195 1.277) 2.663 4.285 ( 5.859 -2.730 4.660) 7.969 4.450 ( -0.100 0.836 0.125) 0.851 4.630 ( 1.819 8.329 5.153) 9.961 4.931 ( -2.176 1.637 -5.386) 6.035 5.555 ( 0.525 2.522 -0.117) 2.578 6.235 ( 1.143 -20.026 -1.665) 20.128 7.533 ( -11.611 -3.350 -12.799) 17.602======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( 1.001 3.284 -2.343) 4.157 2.085 ( 9.980 12.894 0.512) 16.313 2.753 ( 3.315 7.224 -0.700) 7.979 3.810 ( 6.152 4.749 -0.466) 7.786 3.975 ( 0.643 1.607 4.049) 4.404 4.389 ( 8.578 -4.754 1.413) 9.908 4.438 ( -0.500 -0.721 0.505) 1.013 4.743 ( 0.245 7.157 2.712) 7.658 4.889 ( -3.582 3.682 -5.563) 7.572 5.588 ( 0.125 2.200 0.829) 2.354 6.109 ( 5.470 -15.231 -0.279) 16.186 7.212 ( -19.129 0.210 -12.365) 22.778======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 1.958 2.639 -2.049) 3.872 2.363 ( 8.147 12.289 -0.116) 14.744 2.877 ( 4.933 3.409 1.314) 6.138 3.956 ( 6.018 4.888 -1.472) 7.892 4.033 ( 2.207 1.766 5.628) 6.297 4.390 ( -0.760 -2.468 -1.611) 3.044 4.508 ( 8.808 -5.867 0.404) 10.590 4.800 ( -1.755 6.573 -0.247) 6.808 4.843 ( -3.722 4.262 -4.175) 7.032 5.600 ( -0.465 1.221 0.050) 1.307 6.132 ( 9.961 -9.020 3.422) 13.867 6.842 ( -21.660 2.714 -9.630) 23.859======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 2.150 2.289 -1.394) 3.436 2.579 ( 4.143 11.370 0.167) 12.103 2.970 ( 2.950 0.225 1.009) 3.126 4.070 ( 0.283 4.845 0.329) 4.865 4.115 ( 4.640 0.514 3.233) 5.679 4.356 ( -0.173 -0.507 -1.678) 1.761 4.571 ( 6.458 -5.902 -3.939) 9.595 4.787 ( -3.111 4.792 -1.073) 5.813 4.878 ( 1.513 4.752 -0.347) 4.999 5.614 ( 0.929 1.531 -0.407) 1.837 6.243 ( 6.582 -3.592 4.491) 8.740 6.509 ( -15.657 0.844 -4.428) 16.293======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( 1.526 1.871 -1.015) 2.619 2.720 ( 0.030 10.123 1.414) 10.221 2.972 ( -1.406 -2.783 -0.775) 3.213 4.045 ( -5.675 0.907 0.914) 5.819 4.187 ( 2.296 0.110 0.513) 2.356 4.376 ( 1.852 1.925 -1.408) 3.019 4.608 ( 2.366 2.865 -6.921) 7.855 4.818 ( 2.437 1.288 2.914) 4.011 4.945 ( 2.865 1.119 -0.322) 3.092 5.658 ( 1.844 2.505 -0.953) 3.253 6.160 ( -15.500 5.845 0.921) 16.591 6.454 ( 11.130 -9.697 3.504) 15.172======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( 0.473 1.245 -1.035) 1.687 2.761 ( -7.423 5.180 2.017) 9.273 2.894 ( -1.659 -2.034 -1.325) 2.941 3.954 ( -5.630 0.418 2.134) 6.035 4.203 ( 0.023 0.218 -2.112) 2.123 4.423 ( 1.073 2.908 -0.571) 3.152 4.644 ( -1.254 6.378 -5.120) 8.274 4.877 ( 1.861 -0.289 2.611) 3.220 4.981 ( 2.567 -2.594 -2.164) 4.243 5.680 ( -2.760 1.837 -1.228) 3.536 6.025 ( -5.521 4.559 3.486) 7.963 6.572 ( 12.851 -10.445 1.749) 16.653======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( -0.952 0.703 -1.378) 1.817 2.574 ( -13.379 -3.673 -0.051) 13.874 2.899 ( -1.155 3.836 1.626) 4.323 3.893 ( -4.176 1.542 3.500) 5.662 4.181 ( -1.586 -0.044 -3.372) 3.727 4.458 ( -0.236 3.311 -0.636) 3.379 4.649 ( -2.731 3.459 -0.936) 4.506 4.867 ( -3.451 -1.304 0.897) 3.797 4.974 ( 1.606 -1.196 -5.305) 5.670 5.598 ( -6.307 -0.687 1.914) 6.627 6.078 ( 4.736 2.462 1.646) 5.586 6.687 ( 13.090 -10.350 -2.664) 16.899======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 0.000 2.922 -2.653) 3.947 1.868 ( -0.000 11.496 0.150) 11.497 2.709 ( 0.000 7.622 -2.604) 8.054 3.687 ( -0.000 5.280 2.008) 5.649 3.985 ( -0.000 2.402 0.028) 2.402 4.208 ( -0.000 -6.485 8.279) 10.516 4.452 ( 0.000 -0.766 -0.007) 0.766 4.740 ( -0.000 11.706 5.499) 12.933 4.953 ( 0.000 3.252 -5.709) 6.570 5.572 ( 0.000 2.704 -1.576) 3.130 6.027 ( 0.000 -18.384 -3.119) 18.646 7.554 ( 0.000 -2.373 -13.622) 13.827======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 0.456 1.975 -2.618) 3.311 2.036 ( 7.853 9.641 -0.393) 12.441 2.768 ( 1.396 3.739 -0.249) 3.999 3.775 ( 3.437 5.113 1.278) 6.292 4.001 ( -0.224 1.562 2.632) 3.069 4.219 ( 5.665 -7.144 5.321) 10.557 4.440 ( -0.432 -1.084 0.672) 1.347 4.853 ( -1.364 9.730 2.600) 10.164 4.958 ( -1.927 4.931 -4.479) 6.935 5.600 ( 0.858 2.410 -1.218) 2.833 5.884 ( 3.472 -13.643 -2.943) 14.383 7.408 ( -9.765 -0.339 -13.118) 16.357======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 1.523 1.844 -1.399) 2.771 2.290 ( 11.631 8.528 -1.244) 14.476 2.834 ( 3.562 1.042 2.167) 4.298 3.890 ( 4.917 3.130 0.164) 5.832 4.045 ( 1.816 2.419 5.256) 6.064 4.274 ( 7.285 -6.622 0.204) 9.847 4.425 ( -0.496 -1.358 2.181) 2.617 4.902 ( -2.216 7.309 -1.017) 7.705 4.943 ( -4.323 5.048 -2.894) 7.249 5.615 ( -0.477 0.470 -0.956) 1.167 5.888 ( 9.625 -7.254 -0.363) 12.058 7.151 ( -16.445 2.000 -10.943) 19.854======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( 2.186 1.940 -0.281) 2.936 2.549 ( 10.180 7.727 -1.983) 12.934 2.912 ( 4.100 -1.155 3.096) 5.266 3.997 ( 6.143 -0.203 0.226) 6.150 4.129 ( 1.710 3.634 4.033) 5.692 4.328 ( 4.870 -2.531 -2.476) 6.021 4.421 ( 2.140 -2.826 3.725) 5.142 4.894 ( -4.603 3.882 -2.942) 6.702 4.930 ( -1.883 6.016 -0.918) 6.370 5.611 ( 0.388 0.371 -0.302) 0.616 6.020 ( 11.867 -4.933 0.990) 12.890 6.841 ( -19.713 3.442 -7.319) 21.308======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( 1.932 1.701 0.161) 2.579 2.750 ( 6.324 6.740 -1.417) 9.350 2.944 ( 1.005 -3.951 1.784) 4.450 4.079 ( 5.171 -3.103 -1.913) 6.327 4.157 ( -2.738 1.276 2.594) 3.981 4.370 ( 2.057 1.762 0.374) 2.734 4.509 ( 7.825 1.100 1.584) 8.059 4.859 ( -2.639 3.424 -1.114) 4.465 4.946 ( -1.093 2.379 -0.522) 2.670 5.641 ( 2.094 1.457 0.487) 2.597 6.170 ( 11.630 -5.544 0.143) 12.885 6.524 ( -19.800 3.219 -2.902) 20.269======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 1.025 1.133 0.000) 1.528 2.871 ( -4.202 -5.422 0.281) 6.865 2.882 ( 3.116 4.059 -0.290) 5.125 4.060 ( -3.719 -0.954 0.942) 3.954 4.147 ( 1.866 -1.668 -1.471) 2.903 4.439 ( 2.173 3.501 1.308) 4.323 4.655 ( 4.668 4.367 -1.573) 6.583 4.867 ( 0.395 1.596 2.335) 2.855 4.933 ( -0.434 -1.343 -1.566) 2.108 5.697 ( 1.859 1.715 0.055) 2.530 6.220 ( -9.032 -6.260 -0.028) 10.990 6.319 ( 4.121 1.287 0.007) 4.318======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( -0.053 0.662 -0.522) 0.844 2.691 ( -8.232 -8.580 -0.499) 11.901 2.958 ( 0.543 4.673 1.196) 4.855 4.000 ( -4.468 1.688 3.379) 5.850 4.149 ( 1.604 -2.801 -2.772) 4.255 4.501 ( 0.260 4.224 0.008) 4.232 4.697 ( -1.610 -0.221 -0.422) 1.679 4.896 ( -0.238 -0.402 2.903) 2.940 4.919 ( 1.685 1.083 -5.480) 5.835 5.696 ( -4.053 0.441 -0.566) 4.116 6.044 ( -2.434 -7.700 4.133) 9.071 6.434 ( 8.280 -0.072 -3.307) 8.917======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( 0.000 1.266 -1.900) 2.284 2.042 ( -0.000 6.865 -0.534) 6.886 2.776 ( -0.000 0.454 1.171) 1.256 3.803 ( -0.000 4.997 1.688) 5.274 4.022 ( -0.000 1.238 0.294) 1.272 4.120 ( -0.000 -7.640 7.634) 10.800 4.437 ( -0.000 -1.012 1.382) 1.713 4.952 ( 0.000 6.947 -1.876) 7.196 5.024 ( -0.000 6.974 -0.067) 6.975 5.606 ( 0.000 2.304 -2.600) 3.474 5.730 ( 0.000 -9.672 -3.321) 10.227 7.443 ( 0.000 0.629 -12.932) 12.947======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 0.941 1.463 -0.172) 1.748 2.171 ( 8.642 5.000 -0.985) 10.033 2.795 ( 2.043 -1.003 3.004) 3.769 3.867 ( 1.880 3.025 1.159) 3.746 4.046 ( 1.792 1.208 2.168) 3.062 4.115 ( 4.423 -6.369 4.125) 8.783 4.432 ( -0.328 -0.683 2.362) 2.480 4.986 ( -1.470 5.312 -3.014) 6.282 5.059 ( -3.349 5.333 -0.264) 6.303 5.619 ( -0.252 -0.009 -1.635) 1.654 5.696 ( 6.002 -3.511 -2.658) 7.444 7.342 ( -8.506 2.550 -11.411) 14.458======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 1.780 1.825 1.160) 2.800 2.394 ( 12.972 3.627 -2.196) 13.647 2.845 ( 3.521 -1.602 4.232) 5.734 3.924 ( 2.715 0.002 1.520) 3.111 4.102 ( 4.017 -1.822 -0.805) 4.484 4.187 ( 7.161 -0.560 4.179) 8.310 4.428 ( -0.761 -0.270 3.524) 3.615 4.981 ( -3.239 2.837 -2.179) 4.825 5.034 ( -3.868 4.522 -1.301) 6.091 5.606 ( 0.118 -0.267 -0.304) 0.422 5.804 ( 9.473 -1.520 -2.055) 9.812 7.141 ( -14.975 4.181 -8.674) 17.804======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( 1.911 1.566 1.523) 2.903 2.627 ( 12.171 1.798 -2.979) 12.659 2.888 ( 2.135 -3.148 3.499) 5.168 3.965 ( 3.423 -2.671 -0.771) 4.410 4.150 ( 4.389 -2.534 0.317) 5.078 4.334 ( 5.311 3.225 1.969) 6.518 4.445 ( 2.465 0.953 5.666) 6.252 4.931 ( -3.430 1.518 -2.099) 4.298 5.010 ( -3.334 2.248 0.260) 4.029 5.623 ( 1.560 0.569 0.916) 1.896 5.944 ( 9.985 -1.941 -2.615) 10.502 6.874 ( -18.943 4.478 -5.116) 20.126======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( 1.393 0.833 1.179) 2.006 2.778 ( 6.315 -5.662 -1.158) 8.560 2.884 ( 0.975 -0.146 0.338) 1.042 3.984 ( 3.892 -3.997 -3.542) 6.609 4.177 ( -0.547 -0.540 2.605) 2.716 4.415 ( 3.197 2.187 1.130) 4.035 4.593 ( 7.444 3.528 4.374) 9.327 4.898 ( -1.289 1.183 -1.038) 2.034 4.959 ( -3.719 -1.044 1.626) 4.191 5.666 ( 2.707 -0.581 1.363) 3.086 6.065 ( 7.504 -2.296 -4.136) 8.870 6.584 ( -18.473 4.234 -0.513) 18.959======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( -0.000 1.899 1.560) 2.458 2.127 ( 0.000 2.467 -0.482) 2.513 2.778 ( -0.000 -1.051 4.162) 4.292 3.881 ( -0.000 1.747 0.611) 1.851 4.034 ( -0.000 -0.167 0.276) 0.322 4.044 ( -0.000 -4.977 5.672) 7.546 4.439 ( -0.000 -0.241 2.890) 2.900 5.035 ( 0.000 4.103 -2.140) 4.628 5.125 ( 0.000 2.426 -1.221) 2.716 5.610 ( 0.000 -1.463 -1.447) 2.058 5.623 ( 0.000 1.637 -3.165) 3.563 7.406 ( 0.000 4.225 -10.773) 11.572======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( 0.788 2.308 2.700) 3.638 2.216 ( 8.857 0.450 -1.022) 8.927 2.806 ( 1.806 -0.202 5.061) 5.377 3.904 ( 1.459 0.059 1.664) 2.214 4.002 ( 1.008 -4.921 -0.550) 5.053 4.104 ( 5.919 0.482 4.046) 7.186 4.448 ( -0.216 0.154 3.420) 3.430 5.039 ( -2.099 0.875 -1.661) 2.816 5.111 ( -2.206 1.342 -1.410) 2.942 5.602 ( -0.145 0.611 -1.108) 1.273 5.675 ( 5.191 1.854 -2.555) 6.076 7.351 ( -8.061 5.823 -9.146) 13.511======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 1.119 1.625 2.745) 3.381 2.394 ( 13.129 -2.269 -2.292) 13.519 2.851 ( 1.517 -0.782 4.418) 4.736 3.917 ( -0.202 -1.875 0.598) 1.978 4.014 ( 6.799 -4.022 0.125) 7.901 4.257 ( 8.507 2.577 3.502) 9.553 4.457 ( -0.356 0.242 3.941) 3.964 4.976 ( -2.892 -2.154 -2.428) 4.347 5.080 ( -2.900 0.462 1.103) 3.137 5.607 ( 0.620 0.048 -1.205) 1.356 5.800 ( 7.167 3.595 -1.683) 8.193 7.189 ( -14.883 6.203 -6.763) 17.485======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( 1.186 0.347 2.143) 2.474 2.554 ( 11.456 -7.519 -2.288) 13.893 2.865 ( 0.590 -1.048 1.731) 2.108 3.893 ( 1.382 -3.311 -2.428) 4.332 4.117 ( 6.639 -1.593 3.034) 7.471 4.406 ( 2.620 2.317 1.517) 3.812 4.510 ( 6.540 1.547 4.609) 8.149 4.908 ( -1.211 -3.005 -1.785) 3.699 5.025 ( -3.946 -1.321 3.040) 5.154 5.610 ( 1.718 -2.727 -1.542) 3.573 5.958 ( 6.366 5.941 -0.943) 8.759 6.941 ( -18.974 5.466 -3.320) 20.023======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( -0.000 2.612 3.607) 4.454 2.130 ( 0.000 -1.980 -0.396) 2.019 2.818 ( -0.000 1.573 5.704) 5.916 3.869 ( -0.000 -3.137 0.409) 3.164 4.008 ( -0.000 -2.339 4.404) 4.987 4.025 ( 0.000 -0.655 -0.290) 0.717 4.464 ( -0.000 0.388 3.361) 3.384 5.036 ( 0.000 -4.188 -2.863) 5.073 5.131 ( -0.000 0.403 0.116) 0.419 5.625 ( 0.000 0.829 -3.052) 3.162 5.644 ( -0.000 5.814 -0.425) 5.830 7.452 ( 0.000 7.379 -8.885) 11.550======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( -0.043 1.255 3.382) 3.607 2.170 ( 8.224 -4.754 -1.058) 9.558 2.857 ( 0.088 1.206 5.171) 5.310 3.873 ( 4.367 -5.198 0.345) 6.798 3.935 ( -2.839 -0.825 1.829) 3.476 4.136 ( 8.641 0.598 2.289) 8.959 4.477 ( -0.251 0.197 3.204) 3.220 4.954 ( -1.033 -7.529 -3.205) 8.248 5.121 ( -1.578 -0.649 1.704) 2.412 5.604 ( -1.214 0.255 -2.941) 3.192 5.762 ( 4.522 8.886 0.245) 9.974 7.427 ( -8.284 7.810 -7.988) 13.908======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( 0.372 -0.931 2.555) 2.744 2.270 ( 11.353 -9.033 -2.025) 14.649 2.865 ( -0.841 -1.047 3.033) 3.317 3.844 ( 0.052 -4.344 -1.772) 4.692 3.994 ( 6.987 -0.507 4.316) 8.228 4.319 ( 10.108 2.144 1.706) 10.473 4.482 ( 0.012 -0.290 2.913) 2.928 4.858 ( 0.056 -8.204 -1.917) 8.425 5.078 ( -2.960 -1.792 2.541) 4.293 5.568 ( -0.919 -1.882 -3.369) 3.967 5.949 ( 5.357 11.329 1.823) 12.664 7.275 ( -15.302 7.024 -5.997) 17.873======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( -0.000 -0.698 3.126) 3.203 2.039 ( 0.000 -7.290 -0.666) 7.320 2.891 ( -0.000 0.883 5.025) 5.102 3.784 ( -0.000 -5.742 1.125) 5.852 4.006 ( 0.000 -0.922 -0.477) 1.038 4.021 ( -0.000 0.802 3.860) 3.943 4.491 ( -0.000 -0.069 2.649) 2.650 4.858 ( 0.000 -10.751 -2.961) 11.151 5.130 ( -0.000 -1.639 1.867) 2.485 5.613 ( 0.000 -0.170 -2.278) 2.284 5.828 ( -0.000 13.040 0.474) 13.049 7.547 ( 0.000 8.432 -8.820) 12.202======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( -0.344 -3.713 2.297) 4.380 2.013 ( 6.908 -10.719 -1.265) 12.815 2.885 ( -1.698 -2.619 3.367) 4.591 3.765 ( 2.966 -5.671 0.448) 6.415 3.951 ( -0.606 0.120 2.633) 2.704 4.169 ( 10.003 1.646 1.621) 10.266 4.492 ( -0.418 -0.675 2.051) 2.199 4.749 ( 0.644 -10.815 -1.265) 10.908 5.103 ( -1.544 -2.431 1.786) 3.389 5.578 ( -2.397 -0.751 -2.281) 3.393 6.004 ( 3.804 14.965 1.805) 15.546 7.523 ( -8.540 7.876 -8.676) 14.499======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( -0.000 -7.375 1.652) 7.558 1.836 ( 0.000 -13.180 -1.014) 13.219 2.867 ( -0.000 -7.437 2.017) 7.705 3.684 ( -0.000 -5.422 1.826) 5.721 3.989 ( -0.000 -0.699 0.235) 0.737 4.079 ( -0.000 2.079 2.588) 3.319 4.494 ( -0.000 -1.156 1.540) 1.926 4.643 ( -0.000 -9.411 1.272) 9.497 5.094 ( -0.000 -3.002 0.889) 3.131 5.589 ( 0.000 -1.042 -0.923) 1.392 6.134 ( -0.000 17.613 1.640) 17.689 7.637 ( 0.000 7.789 -10.763) 13.286======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( -0.000 0.000 15.780) 15.780 0.575 ( -0.000 0.000 15.780) 15.780 1.013 ( -0.000 0.000 29.299) 29.299 3.501 ( 0.000 -0.000 -0.223) 0.223 3.501 ( 0.000 -0.000 -0.223) 0.223 3.914 ( 0.000 -0.000 -3.768) 3.768 3.914 ( 0.000 -0.000 -3.768) 3.768 4.875 ( 0.000 -0.000 -9.090) 9.090 5.551 ( -0.000 0.000 2.788) 2.788 5.551 ( -0.000 0.000 2.788) 2.788 6.046 ( -0.000 0.000 2.861) 2.861 9.384 ( -0.000 0.000 0.798) 0.798======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( 8.922 5.151 15.228) 18.385 0.742 ( 8.500 4.907 12.372) 15.792 1.241 ( 11.686 6.747 18.797) 23.139 3.526 ( 1.605 0.927 -0.283) 1.875 3.628 ( 9.509 5.490 -3.590) 11.552 3.902 ( 0.192 0.111 -3.380) 3.388 4.005 ( 9.683 5.590 -3.560) 11.733 4.812 ( -2.718 -1.569 -7.394) 8.032 5.260 ( -12.805 -7.393 9.144) 17.385 5.611 ( 1.755 1.013 2.682) 3.362 6.427 ( 19.385 11.192 -10.227) 24.610 8.970 ( -31.593 -18.240 11.753) 38.327======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( 8.595 4.962 12.522) 15.978 1.007 ( 11.787 6.805 7.982) 15.778 1.625 ( 18.456 10.655 5.024) 21.895 3.571 ( 2.489 1.437 -0.155) 2.878 3.839 ( 10.395 6.001 -1.128) 12.056 3.901 ( 0.704 0.406 -2.884) 2.996 4.281 ( 14.745 8.513 -3.103) 17.306 4.727 ( -2.780 -1.605 -2.681) 4.182 5.079 ( -7.111 -4.106 4.949) 9.588 5.638 ( -0.041 -0.023 1.351) 1.351 6.690 ( 8.248 4.762 -12.924) 16.054 8.254 ( -35.607 -20.558 12.602) 43.003======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.207 ( 8.195 4.732 5.524) 10.958 1.304 ( 12.711 7.339 4.497) 15.351 2.062 ( 19.746 11.400 -0.758) 22.813 3.636 ( 3.360 1.940 0.120) 3.882 3.914 ( 1.330 0.768 -2.303) 2.768 4.077 ( 10.409 6.010 2.750) 12.330 4.538 ( 5.904 3.409 -4.909) 8.401 4.737 ( 6.867 3.965 4.125) 8.938 4.944 ( -6.265 -3.617 0.173) 7.237 5.618 ( -1.850 -1.068 -0.227) 2.148 6.734 ( 0.497 0.287 -12.546) 12.559 7.501 ( -35.010 -20.213 7.605) 41.135======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 7.673 4.430 -0.399) 8.869 1.590 ( 11.813 6.820 2.168) 13.811 2.472 ( 17.171 9.914 -2.067) 19.935 3.718 ( 3.882 2.241 0.137) 4.484 3.944 ( 1.873 1.082 -1.399) 2.576 4.301 ( 8.378 4.837 4.856) 10.824 4.564 ( 0.124 0.071 0.063) 0.156 4.799 ( -5.879 -3.394 -3.936) 7.846 4.985 ( 10.956 6.325 1.900) 12.793 5.563 ( -2.666 -1.539 -0.930) 3.215 6.601 ( -14.259 -8.232 -15.501) 22.613 6.840 ( -19.447 -11.228 8.709) 24.085======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( 6.059 3.498 -3.313) 7.742 1.834 ( 9.508 5.489 0.987) 11.023 2.788 ( 11.729 6.772 -2.846) 13.839 3.802 ( 3.588 2.071 -0.395) 4.162 3.985 ( 1.991 1.149 -0.198) 2.307 4.470 ( 4.849 2.800 2.184) 6.010 4.552 ( -3.067 -1.771 5.594) 6.620 4.695 ( 0.320 0.185 -6.524) 6.535 5.180 ( 6.080 3.510 -2.432) 7.430 5.506 ( -2.050 -1.184 -0.120) 2.370 6.038 ( -24.056 -13.889 -7.246) 28.707 6.729 ( -0.090 -0.052 5.406) 5.407======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( 3.977 2.296 -3.930) 6.045 2.012 ( 6.219 3.591 0.572) 7.204 2.961 ( 5.117 2.954 -5.170) 7.851 3.869 ( 2.564 1.480 -0.895) 3.092 4.022 ( 1.119 0.646 0.590) 1.420 4.406 ( -6.152 -3.552 -4.087) 8.196 4.573 ( 0.955 0.551 1.455) 1.825 4.790 ( 7.708 4.450 0.340) 8.907 5.204 ( -3.147 -1.817 -6.251) 7.231 5.480 ( -0.428 -0.247 1.834) 1.899 5.633 ( -9.592 -5.538 -0.071) 11.076 6.805 ( 4.233 2.444 9.904) 11.045======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( 2.628 1.517 -3.487) 4.623 2.110 ( 2.371 1.369 0.495) 2.782 2.995 ( 0.688 0.397 -7.953) 7.992 3.906 ( 0.914 0.528 -1.047) 1.486 4.031 ( -0.535 -0.309 0.727) 0.954 4.257 ( -5.267 -3.041 -6.582) 8.962 4.568 ( -0.696 -0.402 -2.902) 3.011 4.984 ( 8.623 4.979 1.020) 10.009 5.073 ( -5.433 -3.137 -0.172) 6.276 5.499 ( 1.111 0.641 3.664) 3.882 5.556 ( -0.191 -0.110 2.064) 2.076 6.973 ( 6.939 4.006 13.381) 15.597======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 1.915 1.106 -2.671) 3.468 2.119 ( -1.783 -1.030 0.616) 2.149 2.968 ( -0.035 -0.020 -7.925) 7.926 3.889 ( -2.293 -1.324 -1.454) 3.021 4.014 ( -0.898 -0.518 0.774) 1.293 4.138 ( -3.058 -1.765 -7.504) 8.293 4.540 ( -0.588 -0.340 -3.372) 3.440 4.965 ( -5.320 -3.071 3.396) 7.019 5.137 ( 3.758 2.170 -0.625) 4.384 5.545 ( 1.550 0.895 4.167) 4.535 5.615 ( 5.625 3.248 2.296) 6.889 7.194 ( 8.304 4.794 14.668) 17.524======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -0.957 -0.553 -2.009) 2.293 2.031 ( -6.430 -3.713 0.823) 7.471 2.943 ( -0.595 -0.343 -4.923) 4.971 3.800 ( -4.811 -2.778 -1.816) 5.845 4.001 ( -0.574 -0.332 0.458) 0.806 4.075 ( -0.323 -0.187 -6.318) 6.329 4.518 ( -0.621 -0.359 -2.474) 2.576 4.829 ( -8.042 -4.643 2.390) 9.589 5.148 ( -1.482 -0.856 -1.567) 2.320 5.585 ( 0.650 0.375 3.038) 3.130 5.827 ( 12.233 7.063 0.751) 14.145 7.428 ( 8.092 4.672 13.622) 16.519======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( -0.000 7.654 12.067) 14.290 0.832 ( -0.000 11.682 14.933) 18.960 1.322 ( -0.000 12.768 18.050) 22.109 3.490 ( 0.000 -0.013 -0.046) 0.048 3.648 ( 0.000 12.301 -3.258) 12.725 3.890 ( 0.000 0.273 -3.949) 3.959 3.953 ( 0.000 5.635 -2.315) 6.092 4.783 ( 0.000 -2.848 -8.079) 8.566 5.327 ( -0.000 -15.711 9.256) 18.235 5.516 ( -0.000 -2.500 2.478) 3.519 6.454 ( 0.000 24.913 -7.688) 26.072 9.034 ( -0.000 -30.612 8.535) 31.780======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.942 ( 7.837 9.526 9.494) 15.566 1.026 ( 3.393 10.292 14.096) 17.780 1.566 ( 6.975 16.634 6.752) 19.259 3.529 ( 3.512 0.559 -0.080) 3.557 3.772 ( 3.100 8.451 -1.808) 9.181 3.908 ( 1.379 4.060 -3.367) 5.452 4.110 ( 11.963 7.070 -2.147) 14.061 4.717 ( -0.960 -3.210 -5.417) 6.369 5.158 ( -6.155 -8.267 6.353) 12.107 5.562 ( 5.021 -4.315 1.898) 6.887 6.656 ( 2.635 14.224 -9.028) 17.052 8.561 ( -22.453 -28.924 9.440) 37.813======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 5.086 7.416 9.182) 12.852 1.245 ( 7.949 11.425 6.358) 15.301 1.911 ( 13.354 16.794 -0.774) 21.470 3.601 ( 3.539 2.186 -0.198) 4.164 3.868 ( 3.403 0.594 -1.109) 3.628 4.024 ( 5.485 9.752 0.427) 11.197 4.400 ( 13.532 6.162 -3.789) 15.344 4.677 ( 2.050 -2.086 -0.459) 2.960 5.011 ( -6.003 -5.315 1.956) 8.253 5.586 ( 2.039 -4.111 0.729) 4.646 6.729 ( -0.896 4.979 -8.499) 9.891 7.878 ( -30.992 -24.148 6.012) 39.746======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( 4.621 5.912 2.989) 8.077 1.525 ( 8.823 12.439 3.195) 15.582 2.299 ( 15.482 13.762 -2.208) 20.831 3.686 ( 3.432 3.404 -0.272) 4.841 3.916 ( 2.344 1.154 -1.373) 2.952 4.234 ( 7.907 7.155 3.723) 11.295 4.540 ( 2.442 0.642 -3.144) 4.032 4.819 ( 12.020 1.152 0.856) 12.106 4.864 ( -5.559 -3.491 -1.945) 6.847 5.563 ( -0.567 -3.051 0.494) 3.142 6.685 ( -4.290 1.425 -8.044) 9.227 7.150 ( -31.384 -19.940 3.544) 37.351======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( 4.941 4.777 -1.465) 7.027 1.785 ( 7.179 11.777 1.746) 13.903 2.648 ( 13.074 9.593 -2.275) 16.375 3.775 ( 3.087 3.943 -0.649) 5.049 3.965 ( 2.206 1.943 -0.612) 3.003 4.423 ( 5.873 4.211 2.974) 7.815 4.570 ( 1.652 -0.443 3.238) 3.662 4.711 ( -5.472 -1.734 -5.927) 8.251 5.026 ( 10.743 -1.793 -4.107) 11.640 5.526 ( -1.503 -0.982 1.605) 2.408 6.384 ( -29.592 -4.293 -9.881) 31.493 6.723 ( -0.906 -8.108 8.318) 11.651======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.583 ( 4.081 3.359 -3.233) 6.196 1.994 ( 4.471 10.276 1.186) 11.269 2.881 ( 7.254 5.198 -3.643) 9.639 3.854 ( 2.137 3.954 -1.114) 4.630 4.017 ( 1.464 2.195 0.282) 2.653 4.454 ( -3.967 -2.749 -3.334) 5.866 4.583 ( -0.946 0.895 2.375) 2.708 4.712 ( 6.229 4.045 -0.954) 7.488 5.100 ( 5.541 -6.934 -6.410) 10.948 5.517 ( -0.724 1.800 2.569) 3.220 5.877 ( -22.680 -0.228 -4.000) 23.031 6.758 ( 5.566 -3.016 10.596) 12.343======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( 2.835 2.206 -3.483) 5.003 2.134 ( 0.919 8.458 1.092) 8.578 2.964 ( 1.295 1.865 -6.298) 6.695 3.911 ( 0.783 3.638 -1.219) 3.916 4.044 ( -0.750 0.903 0.549) 1.296 4.318 ( -6.327 -1.261 -5.940) 8.769 4.569 ( -1.160 -0.043 -3.323) 3.520 4.890 ( 8.596 4.506 1.775) 9.866 5.063 ( 0.954 -6.464 -1.844) 6.789 5.551 ( 0.319 3.636 2.691) 4.535 5.623 ( -9.793 2.839 1.009) 10.246 6.900 ( 8.735 -1.454 13.240) 15.928======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( 2.215 1.549 -3.153) 4.153 2.192 ( -3.208 6.587 1.207) 7.426 2.946 ( -0.791 0.404 -7.647) 7.698 3.937 ( -1.730 3.549 -1.363) 4.177 4.004 ( -2.254 -3.210 -0.436) 3.947 4.210 ( -5.191 3.668 -5.907) 8.678 4.535 ( -0.781 -0.302 -4.161) 4.244 5.001 ( -0.786 -3.474 1.657) 3.928 5.076 ( 5.765 2.145 1.538) 6.340 5.558 ( -2.028 0.842 2.950) 3.678 5.618 ( 1.450 6.110 2.587) 6.792 7.100 ( 10.815 -1.131 13.716) 17.503======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 1.015 0.281 -2.685) 2.884 2.157 ( -7.869 4.150 1.310) 8.992 2.916 ( 0.281 -0.483 -5.964) 5.990 3.878 ( -6.242 -0.185 -0.665) 6.280 3.961 ( 0.479 -1.368 -2.720) 3.082 4.167 ( -4.625 7.315 -3.749) 9.431 4.511 ( -0.288 -0.366 -3.216) 3.250 4.919 ( -5.882 -4.134 3.349) 7.931 5.138 ( 0.811 -1.139 -1.578) 2.108 5.569 ( 1.048 -0.935 3.775) 4.028 5.760 ( 6.381 9.373 0.648) 11.358 7.321 ( 11.624 -1.857 12.068) 16.858======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( -0.000 12.655 7.660) 14.793 1.151 ( -0.000 9.576 14.465) 17.348 1.714 ( -0.000 20.227 2.321) 20.360 3.501 ( -0.000 0.993 0.483) 1.104 3.876 ( 0.000 0.973 -3.226) 3.369 3.883 ( 0.000 13.998 -2.083) 14.152 4.074 ( -0.000 7.049 0.792) 7.094 4.672 ( 0.000 -3.592 -4.826) 6.016 5.142 ( -0.000 -9.571 5.250) 10.916 5.496 ( -0.000 -1.180 2.132) 2.436 6.739 ( 0.000 9.768 -6.774) 11.887 8.478 ( -0.000 -31.043 4.907) 31.428======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( 5.702 12.990 6.357) 15.546 1.289 ( 1.816 7.895 10.041) 12.902 1.947 ( 4.232 21.077 -2.648) 21.660 3.553 ( 4.040 1.813 0.446) 4.450 3.856 ( -0.662 2.592 -0.962) 2.843 4.057 ( 3.135 11.223 -0.716) 11.675 4.237 ( 10.642 6.642 0.487) 12.554 4.627 ( 0.437 -3.100 -2.038) 3.736 5.042 ( -3.600 -6.666 1.838) 7.796 5.519 ( 2.346 -1.486 1.770) 3.293 6.762 ( -1.181 1.025 -4.987) 5.226 8.056 ( -17.149 -25.938 0.204) 31.095======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 1.086 6.389 4.684) 7.996 1.526 ( 8.606 14.014 3.777) 16.874 2.236 ( 8.808 17.972 -3.327) 20.289 3.654 ( 4.598 3.332 -0.188) 5.681 3.888 ( 1.728 1.958 -0.186) 2.618 4.217 ( 4.608 8.820 2.308) 10.215 4.463 ( 7.729 3.099 -3.257) 8.942 4.649 ( 6.736 -1.195 1.990) 7.125 4.915 ( -5.210 -4.382 -1.730) 7.024 5.541 ( 1.028 -1.190 2.040) 2.575 6.697 ( -1.481 -5.795 -2.219) 6.380 7.463 ( -26.651 -17.773 -4.631) 32.367======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( 2.374 5.260 0.090) 5.772 1.809 ( 7.085 14.741 2.398) 16.530 2.543 ( 10.809 12.886 -2.124) 16.952 3.761 ( 3.735 4.678 -0.884) 6.051 3.943 ( 2.462 2.171 0.239) 3.291 4.385 ( 5.228 5.719 2.734) 8.217 4.534 ( 2.872 -0.169 0.297) 2.892 4.766 ( -2.791 -1.792 -5.014) 6.012 4.817 ( 7.193 -2.230 -1.808) 7.745 5.548 ( -0.491 0.096 2.928) 2.970 6.623 ( 1.888 -8.810 2.988) 9.492 6.835 ( -30.081 -8.258 -7.955) 32.193======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( 3.030 4.094 -2.048) 5.490 2.051 ( 4.274 14.274 1.789) 15.008 2.801 ( 8.340 7.876 -1.958) 11.637 3.858 ( 2.535 5.318 -1.402) 6.056 4.012 ( 2.479 2.920 0.942) 3.944 4.455 ( -0.282 -1.880 -1.163) 2.229 4.620 ( 2.726 2.294 6.083) 7.049 4.674 ( -1.233 3.070 -7.650) 8.335 4.899 ( 7.268 -6.483 -4.616) 10.778 5.552 ( -0.689 1.230 2.701) 3.047 6.286 ( -26.828 -0.344 -6.503) 27.607 6.636 ( 6.606 -7.171 8.065) 12.654======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.623 ( 2.590 3.003 -2.662) 4.776 2.233 ( 0.919 13.122 1.903) 13.291 2.941 ( 2.767 3.822 -3.592) 5.930 3.932 ( 1.000 4.851 -1.569) 5.196 4.075 ( 0.330 3.224 1.394) 3.528 4.377 ( -4.085 -1.838 -4.406) 6.283 4.591 ( -3.122 0.874 -4.959) 5.924 4.804 ( 7.382 4.243 1.813) 8.706 4.929 ( 5.982 -6.381 -1.371) 8.854 5.573 ( 0.460 1.846 1.667) 2.529 5.916 ( -18.762 5.606 -2.193) 19.704 6.749 ( 10.104 -6.302 11.564) 16.599======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 1.860 2.291 -2.706) 4.003 2.344 ( -3.009 11.766 2.360) 12.372 2.953 ( -1.651 1.241 -5.484) 5.860 3.965 ( -0.525 1.831 -2.160) 2.880 4.071 ( -4.499 2.353 1.412) 5.270 4.302 ( -3.197 4.004 -5.796) 7.736 4.533 ( -1.516 -0.205 -5.546) 5.753 4.939 ( 4.504 -2.115 1.126) 5.102 4.996 ( 6.563 0.598 2.150) 6.932 5.602 ( -0.199 1.638 0.107) 1.654 5.749 ( -8.791 7.353 2.812) 11.801 6.916 ( 12.122 -6.425 11.865) 18.139======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( 1.148 1.452 -2.630) 3.216 2.368 ( -7.967 9.670 2.630) 12.802 2.903 ( -1.722 -0.349 -5.351) 5.632 3.924 ( -2.557 -3.099 -0.812) 4.099 4.023 ( -5.079 5.620 -1.411) 7.706 4.296 ( -2.966 7.911 -4.046) 9.368 4.501 ( -0.416 -0.088 -4.224) 4.245 4.949 ( -0.661 -3.405 2.694) 4.392 5.091 ( 3.041 -1.100 -0.873) 3.350 5.589 ( -2.155 0.631 2.146) 3.106 5.782 ( 1.479 8.660 1.648) 8.938 7.102 ( 13.464 -7.638 9.842) 18.344======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( -0.000 14.826 4.128) 15.390 1.376 ( -0.000 5.569 8.170) 9.887 2.113 ( 0.000 21.741 -4.808) 22.266 3.536 ( -0.000 2.207 1.209) 2.516 3.888 ( 0.000 2.173 -1.757) 2.795 4.143 ( -0.000 12.562 0.304) 12.566 4.221 ( -0.000 6.520 4.975) 8.202 4.591 ( 0.000 -2.525 -0.814) 2.653 5.013 ( 0.000 -6.003 0.108) 6.004 5.501 ( -0.000 0.390 1.329) 1.385 6.729 ( 0.000 -7.664 -2.679) 8.118 7.952 ( 0.000 -21.947 -6.112) 22.782======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( -0.362 4.894 3.385) 5.961 1.536 ( 6.929 14.327 2.823) 16.163 2.316 ( 2.522 19.278 -4.455) 19.946 3.605 ( 4.228 3.076 0.992) 5.322 3.902 ( -0.198 2.812 -0.072) 2.820 4.255 ( 1.890 7.376 2.141) 7.909 4.374 ( 6.033 6.448 2.612) 9.209 4.585 ( 1.700 -0.708 2.483) 3.092 4.935 ( -2.873 -3.911 -2.670) 5.539 5.524 ( 1.305 0.714 1.298) 1.974 6.604 ( -0.286 -15.363 -0.645) 15.379 7.626 ( -13.913 -13.587 -11.109) 22.396======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( 0.564 4.253 -0.159) 4.293 1.823 ( 9.101 14.430 1.843) 17.159 2.534 ( 5.449 14.673 -2.289) 15.818 3.724 ( 5.305 4.113 -0.272) 6.718 3.940 ( 1.107 2.831 1.592) 3.432 4.378 ( 4.046 5.653 2.617) 7.428 4.473 ( 2.978 -1.145 -0.179) 3.196 4.672 ( 4.948 2.039 3.346) 6.312 4.835 ( -4.357 -0.992 -5.039) 6.735 5.559 ( 0.901 1.067 2.099) 2.521 6.455 ( 2.679 -18.337 2.630) 18.718 7.187 ( -22.364 -4.331 -13.638) 26.550======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( 1.828 3.800 -1.522) 4.483 2.106 ( 7.193 14.377 1.170) 16.119 2.752 ( 6.843 9.559 -0.611) 11.772 3.849 ( 4.488 5.330 -1.340) 7.096 4.004 ( 2.292 2.916 2.724) 4.602 4.439 ( -0.479 -1.752 -0.064) 1.817 4.559 ( 7.880 1.290 1.999) 8.231 4.733 ( -2.207 1.599 -3.911) 4.767 4.763 ( 0.433 -0.086 -1.962) 2.011 5.580 ( -0.380 0.975 1.702) 1.998 6.387 ( 6.355 -15.672 6.977) 18.294 6.744 ( -22.980 3.052 -12.176) 26.185======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( 2.232 3.246 -1.723) 4.300 2.338 ( 3.757 13.836 1.324) 14.398 2.918 ( 4.268 5.117 -0.920) 6.726 3.958 ( 2.108 6.149 -1.142) 6.600 4.087 ( 2.813 3.211 2.418) 4.906 4.386 ( -1.821 -3.062 -1.656) 3.929 4.648 ( -3.220 -0.950 -8.343) 8.993 4.719 ( 6.196 1.689 3.228) 7.188 4.799 ( 3.537 1.061 0.227) 3.700 5.587 ( -0.031 1.076 0.686) 1.276 6.272 ( -15.840 1.702 -2.414) 16.113 6.552 ( 5.627 -6.346 4.706) 9.700======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.663 ( 1.760 2.758 -1.709) 3.691 2.503 ( -0.029 12.879 2.205) 13.067 2.975 ( -0.583 1.717 -2.587) 3.159 4.006 ( -2.084 3.470 -0.709) 4.109 4.155 ( -0.252 3.357 1.725) 3.782 4.339 ( -0.648 0.945 -3.393) 3.582 4.551 ( -3.077 0.281 -7.994) 8.570 4.834 ( 6.202 -1.817 2.701) 7.005 4.906 ( 5.818 2.582 1.225) 6.482 5.611 ( 0.892 1.839 -0.243) 2.059 6.034 ( -15.458 7.132 -0.491) 17.031 6.666 ( 12.406 -9.823 8.635) 18.026======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 0.944 2.176 -1.849) 3.007 2.594 ( -4.718 11.461 3.198) 12.800 2.927 ( -3.473 -0.831 -3.740) 5.171 3.960 ( -4.187 -0.243 0.129) 4.196 4.152 ( -3.948 4.058 0.019) 5.661 4.362 ( 0.877 4.277 -3.283) 5.463 4.509 ( -1.366 3.321 -6.403) 7.341 4.906 ( 3.230 -1.952 2.529) 4.543 5.013 ( 4.690 -0.757 -0.210) 4.755 5.634 ( -0.762 2.100 -1.140) 2.508 5.914 ( -7.328 7.358 3.124) 10.844 6.810 ( 13.643 -11.502 7.010) 19.172======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( -0.000 3.314 0.435) 3.342 1.620 ( -0.000 14.126 1.408) 14.196 2.458 ( 0.000 16.935 -4.059) 17.415 3.606 ( -0.000 3.858 2.184) 4.433 3.931 ( 0.000 2.941 -0.540) 2.990 4.290 ( -0.000 1.723 5.672) 5.928 4.418 ( -0.000 6.653 2.326) 7.047 4.594 ( -0.000 3.707 5.640) 6.750 4.917 ( 0.000 -2.194 -4.420) 4.934 5.525 ( -0.000 1.534 -0.072) 1.536 6.422 ( 0.000 -21.255 -0.978) 21.278 7.588 ( 0.000 -8.370 -15.068) 17.237======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( 0.131 2.953 -1.601) 3.361 1.816 ( 7.137 12.963 0.543) 14.808 2.606 ( 1.749 12.855 -1.905) 13.112 3.687 ( 3.624 4.470 1.746) 6.014 3.962 ( 0.447 2.947 0.785) 3.082 4.344 ( 3.701 -1.449 6.564) 7.673 4.452 ( -0.171 0.307 0.185) 0.397 4.694 ( 0.862 7.880 6.984) 10.565 4.870 ( -2.256 0.960 -6.196) 6.663 5.555 ( 1.508 1.771 -0.049) 2.327 6.222 ( 2.121 -21.403 -0.696) 21.519 7.380 ( -11.187 -3.075 -16.331) 20.033======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 1.136 2.978 -1.642) 3.585 2.087 ( 10.143 12.070 -0.208) 15.767 2.752 ( 3.876 8.428 0.449) 9.287 3.810 ( 5.088 4.727 0.421) 6.958 4.012 ( 1.526 2.919 2.733) 4.280 4.408 ( 3.805 -5.985 2.072) 7.389 4.454 ( 2.022 0.235 2.985) 3.613 4.771 ( -1.235 5.302 2.254) 5.892 4.830 ( -3.495 4.752 -5.318) 7.942 5.592 ( 0.633 1.250 0.057) 1.402 6.118 ( 7.924 -16.498 2.151) 18.428 7.069 ( -17.927 1.490 -14.814) 23.303======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 1.950 2.959 -0.910) 3.659 2.359 ( 8.690 11.410 -0.626) 14.356 2.892 ( 4.532 4.504 1.421) 6.545 3.946 ( 5.605 5.000 -0.353) 7.519 4.083 ( 1.964 2.903 3.510) 4.960 4.377 ( -0.536 -3.396 -0.866) 3.545 4.524 ( 5.810 -5.318 2.869) 8.383 4.790 ( -4.878 5.288 -2.467) 7.605 4.808 ( -0.087 5.511 -1.671) 5.759 5.598 ( -0.259 0.559 -0.394) 0.731 6.176 ( 11.890 -10.644 4.841) 16.676 6.736 ( -19.284 4.131 -10.458) 22.322======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( 1.904 2.775 -0.506) 3.403 2.581 ( 5.274 10.574 0.063) 11.817 2.977 ( 1.617 1.099 0.350) 1.986 4.070 ( 2.029 4.756 -0.045) 5.171 4.142 ( 1.890 0.763 1.471) 2.514 4.346 ( -0.293 0.090 -0.331) 0.451 4.538 ( 1.569 -3.694 -1.930) 4.453 4.781 ( 0.107 3.608 -0.221) 3.616 4.875 ( 2.080 4.406 -0.152) 4.874 5.611 ( 0.877 1.462 -0.159) 1.712 6.279 ( 3.145 -2.611 2.129) 4.609 6.473 ( -8.194 -1.529 -2.107) 8.597======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 1.125 2.326 -0.660) 2.667 2.735 ( 1.344 9.499 1.463) 9.705 2.960 ( -2.783 -2.037 -1.346) 3.702 4.059 ( -5.736 1.791 1.741) 6.256 4.180 ( 2.314 -1.467 -1.641) 3.194 4.371 ( 0.723 3.400 0.045) 3.476 4.544 ( 0.408 4.941 -5.009) 7.048 4.843 ( 3.597 0.704 1.967) 4.159 4.943 ( 2.774 0.478 0.031) 2.815 5.648 ( 1.033 2.582 -0.818) 2.899 6.168 ( -13.393 6.514 0.563) 14.904 6.491 ( 12.431 -12.630 3.385) 18.042======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.530 ( 0.000 2.372 -2.362) 3.347 1.867 ( -0.000 11.017 -0.250) 11.020 2.693 ( -0.000 8.955 -0.335) 8.961 3.711 ( -0.000 5.085 2.634) 5.727 3.985 ( -0.000 2.629 0.012) 2.629 4.302 ( -0.000 -6.389 9.444) 11.402 4.456 ( -0.000 -0.196 0.797) 0.820 4.805 ( -0.000 8.702 6.412) 10.809 4.890 ( 0.000 4.638 -5.644) 7.305 5.554 ( 0.000 2.000 -1.793) 2.686 5.996 ( 0.000 -19.406 -2.788) 19.605 7.390 ( 0.000 -1.179 -17.315) 17.356======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 0.710 2.410 -1.406) 2.879 2.030 ( 7.709 9.279 -0.822) 12.091 2.776 ( 1.728 4.986 1.764) 5.564 3.792 ( 2.744 4.793 1.948) 5.856 4.020 ( 1.364 2.305 0.995) 2.858 4.286 ( 3.085 -8.445 7.246) 11.547 4.457 ( -0.142 -0.520 2.701) 2.754 4.858 ( -1.666 5.726 -2.993) 6.672 4.932 ( -2.712 7.776 1.094) 8.308 5.585 ( 1.655 1.890 -1.758) 3.066 5.857 ( 4.774 -14.178 -2.050) 15.100 7.253 ( -9.042 1.437 -16.274) 18.673======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( 1.602 2.600 0.080) 3.055 2.274 ( 11.409 8.013 -1.765) 14.053 2.864 ( 3.619 2.079 3.329) 5.339 3.898 ( 4.345 3.327 1.232) 5.609 4.084 ( 2.760 2.546 1.877) 4.198 4.290 ( 4.203 -7.066 2.948) 8.735 4.462 ( 0.344 -1.615 4.907) 5.178 4.875 ( -1.666 6.456 -3.677) 7.614 4.926 ( -5.448 5.730 -0.663) 7.934 5.603 ( -0.052 0.473 -1.302) 1.386 5.888 ( 11.482 -8.451 0.409) 14.263 7.024 ( -14.886 3.949 -13.155) 20.254======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 1.929 2.571 0.816) 3.316 2.527 ( 10.649 7.030 -2.222) 12.952 2.945 ( 3.176 -0.455 3.075) 4.444 4.000 ( 5.226 -0.032 0.416) 5.243 4.159 ( 2.201 2.170 1.216) 3.321 4.317 ( 3.324 -1.481 0.519) 3.676 4.474 ( 1.625 -2.340 6.351) 6.960 4.864 ( -4.395 4.344 -2.915) 6.832 4.919 ( -1.470 6.144 -1.243) 6.438 5.609 ( 0.718 0.985 0.032) 1.220 6.028 ( 13.037 -7.204 0.651) 14.909 6.757 ( -17.483 5.051 -8.577) 20.118======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( -0.000 2.358 -0.081) 2.359 2.035 ( 0.000 6.870 -0.726) 6.908 2.801 ( -0.000 1.539 3.466) 3.792 3.822 ( -0.000 4.342 1.832) 4.713 4.025 ( -0.000 1.333 0.240) 1.354 4.204 ( -0.000 -8.848 8.232) 12.085 4.463 ( -0.000 -0.802 3.634) 3.721 4.913 ( 0.000 6.332 -4.901) 8.007 5.042 ( -0.000 6.404 2.857) 7.012 5.574 ( 0.000 1.988 -3.289) 3.843 5.696 ( 0.000 -9.095 -3.088) 9.605 7.290 ( 0.000 2.807 -16.136) 16.378======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 0.908 2.561 1.513) 3.110 2.159 ( 8.077 5.003 -1.229) 9.580 2.838 ( 2.096 -0.207 5.018) 5.442 3.881 ( 2.033 2.855 1.510) 3.817 4.053 ( 2.212 0.153 -0.187) 2.225 4.177 ( 2.999 -6.710 6.950) 10.116 4.468 ( -0.088 -0.803 4.464) 4.536 4.951 ( -1.181 6.622 -3.546) 7.604 5.056 ( -4.120 3.663 -0.290) 5.520 5.600 ( 0.572 0.878 -1.974) 2.235 5.667 ( 6.560 -4.087 -2.769) 8.210 7.206 ( -7.696 4.840 -14.250) 16.903======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 1.471 2.511 2.176) 3.633 2.369 ( 12.309 3.490 -2.483) 13.033 2.896 ( 3.035 -1.324 5.308) 6.257 3.943 ( 2.228 0.199 2.023) 3.016 4.087 ( 4.518 -3.061 -1.654) 5.703 4.241 ( 5.792 -0.260 5.682) 8.117 4.475 ( -0.156 -0.679 5.261) 5.307 4.958 ( -3.526 3.181 -2.131) 5.205 5.018 ( -3.446 5.160 -1.835) 6.470 5.603 ( 0.739 0.188 -0.157) 0.778 5.779 ( 10.101 -2.466 -2.749) 10.755 7.037 ( -13.448 6.178 -11.042) 18.465======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.624 ( -0.000 2.859 2.880) 4.058 2.122 ( 0.000 2.603 -0.588) 2.668 2.834 ( -0.000 -0.609 6.463) 6.491 3.887 ( -0.000 1.290 0.706) 1.470 4.036 ( -0.000 -0.307 0.152) 0.343 4.110 ( -0.000 -6.184 6.876) 9.248 4.478 ( -0.000 -0.489 4.394) 4.421 5.012 ( 0.000 5.735 -2.040) 6.087 5.108 ( 0.000 0.704 -2.023) 2.142 5.585 ( 0.000 1.808 -4.058) 4.443 5.594 ( 0.000 -0.647 -1.593) 1.720 7.275 ( 0.000 6.571 -13.849) 15.329======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 0.509 2.771 3.233) 4.288 2.205 ( 8.083 0.536 -1.229) 8.193 2.869 ( 1.477 -0.357 6.867) 7.033 3.921 ( 2.851 0.270 1.600) 3.280 4.001 ( -0.920 -4.533 0.162) 4.628 4.152 ( 6.267 -1.365 5.113) 8.203 4.490 ( -0.033 -0.263 4.350) 4.358 5.020 ( -2.397 -0.116 -1.939) 3.085 5.094 ( -1.589 3.290 -1.743) 4.048 5.586 ( 0.484 -0.192 -2.139) 2.202 5.647 ( 5.075 3.204 -2.810) 6.627 7.238 ( -7.292 7.858 -12.291) 16.309======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -0.000 2.650 3.389) 4.302 2.125 ( 0.000 -1.985 -0.556) 2.061 2.887 ( -0.000 0.925 7.348) 7.406 3.876 ( -0.000 -2.965 0.948) 3.113 4.021 ( 0.000 -0.915 -0.516) 1.051 4.065 ( -0.000 -3.275 6.369) 7.162 4.502 ( -0.000 -0.111 3.781) 3.783 5.002 ( 0.000 -5.284 -3.514) 6.346 5.133 ( -0.000 2.570 0.258) 2.583 5.588 ( 0.000 1.426 -3.940) 4.190 5.634 ( 0.000 6.334 -1.375) 6.482 7.338 ( 0.000 9.094 -12.612) 15.549======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.726 ( -0.000 0.000 13.002) 13.002 0.726 ( -0.000 0.000 13.002) 13.002 1.300 ( -0.000 0.000 25.494) 25.494 3.497 ( 0.000 -0.000 -0.507) 0.507 3.497 ( 0.000 -0.000 -0.507) 0.507 3.875 ( 0.000 -0.000 -3.596) 3.596 3.875 ( 0.000 -0.000 -3.596) 3.596 4.775 ( 0.000 -0.000 -9.739) 9.739 5.581 ( -0.000 0.000 2.813) 2.813 5.581 ( -0.000 0.000 2.813) 2.813 6.075 ( -0.000 0.000 2.657) 2.657 9.392 ( -0.000 0.000 0.833) 0.833======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.861 ( 6.919 3.995 10.175) 12.937 0.893 ( 9.790 5.653 13.499) 17.608 1.427 ( 4.683 2.704 16.594) 17.452 3.520 ( 1.633 0.943 -0.904) 2.091 3.603 ( 8.996 5.194 -1.370) 10.477 3.869 ( 0.397 0.229 -2.970) 3.005 3.968 ( 9.798 5.657 -3.295) 11.783 4.728 ( -1.128 -0.651 -8.360) 8.461 5.342 ( -12.456 -7.192 6.536) 15.798 5.634 ( 1.322 0.763 1.729) 2.306 6.353 ( 15.302 8.835 -4.531) 18.241 9.061 ( -27.318 -15.772 6.372) 32.181======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 10.250 5.918 6.507) 13.507 1.136 ( 6.130 3.539 14.954) 16.545 1.663 ( 14.364 8.293 2.084) 16.716 3.564 ( 2.676 1.545 -1.055) 3.265 3.838 ( 11.793 6.809 0.795) 13.641 3.873 ( 0.885 0.511 -2.384) 2.594 4.244 ( 14.435 8.334 -3.850) 17.107 4.686 ( 0.033 0.019 -4.857) 4.857 5.130 ( -9.006 -5.199 4.570) 11.359 5.645 ( -0.623 -0.359 -0.010) 0.719 6.586 ( 7.166 4.137 -7.018) 10.850 8.363 ( -36.109 -20.847 8.535) 42.559======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( 4.157 2.400 8.265) 9.558 1.347 ( 11.589 6.691 3.557) 13.847 2.048 ( 19.093 11.024 -1.858) 22.125 3.630 ( 3.586 2.070 -1.104) 4.286 3.893 ( 1.587 0.916 -1.729) 2.519 4.110 ( 11.487 6.632 3.399) 13.692 4.481 ( 6.513 3.760 -5.896) 9.556 4.755 ( 8.404 4.852 -0.968) 9.753 4.952 ( -8.223 -4.747 1.520) 9.615 5.610 ( -2.152 -1.242 -1.245) 2.779 6.633 ( -0.465 -0.268 -6.576) 6.598 7.578 ( -35.874 -20.712 7.144) 42.035======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( 5.082 2.934 1.642) 6.093 1.611 ( 11.176 6.453 1.778) 13.027 2.450 ( 16.977 9.802 -2.039) 19.709 3.711 ( 3.960 2.286 -1.370) 4.774 3.932 ( 2.284 1.318 -0.825) 2.763 4.348 ( 8.363 4.828 3.870) 10.403 4.550 ( 3.113 1.797 -2.887) 4.610 4.772 ( -7.999 -4.618 -0.979) 9.288 4.974 ( 9.831 5.676 -4.252) 12.122 5.552 ( -2.395 -1.383 -1.054) 2.959 6.476 ( -15.067 -8.699 -8.427) 19.331 6.945 ( -18.702 -10.797 11.392) 24.415======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( 4.931 2.847 -1.878) 5.996 1.844 ( 9.232 5.330 1.028) 10.710 2.757 ( 10.963 6.330 -3.089) 13.030 3.791 ( 3.616 2.087 -1.657) 4.492 3.984 ( 2.359 1.362 -0.021) 2.724 4.472 ( 0.674 0.389 -1.005) 1.271 4.607 ( -4.622 -2.668 -3.510) 6.387 4.642 ( 5.314 3.068 3.820) 7.228 5.121 ( 5.132 2.963 -8.559) 10.410 5.509 ( -1.272 -0.735 0.658) 1.610 5.979 ( -21.441 -12.379 -3.637) 25.024 6.833 ( -0.175 -0.101 13.780) 13.781======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 3.730 2.153 -3.214) 5.374 2.019 ( 6.096 3.519 0.753) 7.079 2.903 ( 3.752 2.166 -5.671) 7.137 3.857 ( 2.715 1.568 -1.370) 3.421 4.027 ( 1.263 0.729 0.193) 1.471 4.354 ( -7.097 -4.097 -5.762) 10.018 4.562 ( -0.685 -0.396 -3.580) 3.666 4.810 ( 8.018 4.629 3.588) 9.930 5.136 ( -0.991 -0.572 -6.221) 6.326 5.505 ( 0.396 0.229 2.898) 2.934 5.643 ( -7.973 -4.603 1.742) 9.370 6.940 ( 4.544 2.624 15.321) 16.195======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 2.799 1.616 -3.527) 4.784 2.115 ( 2.336 1.349 0.594) 2.762 2.911 ( 0.001 0.000 -7.906) 7.906 3.896 ( 0.904 0.522 -0.860) 1.353 4.036 ( -0.407 -0.235 0.199) 0.511 4.184 ( -5.671 -3.274 -7.164) 9.706 4.527 ( -0.806 -0.466 -4.655) 4.747 4.994 ( 6.695 3.865 1.253) 7.832 5.085 ( -1.801 -1.040 2.046) 2.917 5.541 ( 1.463 0.845 4.242) 4.567 5.576 ( -0.207 -0.120 1.831) 1.846 7.123 ( 6.906 3.987 14.920) 16.917======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.857 ( -0.000 6.126 10.001) 11.728 0.974 ( -0.000 13.349 11.963) 17.925 1.497 ( -0.000 4.796 15.191) 15.930 3.489 ( 0.000 0.278 -0.079) 0.288 3.622 ( 0.000 11.396 -1.848) 11.545 3.852 ( 0.000 0.289 -3.278) 3.291 3.931 ( 0.000 6.904 -1.768) 7.126 4.696 ( 0.000 -1.403 -8.266) 8.384 5.405 ( -0.000 -14.677 5.781) 15.775 5.545 ( -0.000 -2.732 3.043) 4.089 6.394 ( 0.000 21.328 -4.270) 21.751 9.100 ( -0.000 -27.618 4.447) 27.974======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( 7.266 8.464 7.428) 13.402 1.176 ( 3.069 10.159 14.171) 17.704 1.619 ( 3.787 10.414 3.341) 11.574 3.526 ( 3.052 1.029 -0.353) 3.240 3.761 ( 4.151 8.812 -0.444) 9.751 3.878 ( 2.119 4.235 -2.342) 5.283 4.090 ( 10.567 8.198 -1.686) 13.480 4.655 ( 0.204 -1.324 -6.075) 6.221 5.217 ( -7.082 -9.505 4.714) 12.756 5.582 ( 4.033 -4.163 1.801) 6.069 6.580 ( 2.076 13.636 -5.688) 14.920 8.638 ( -21.321 -30.168 5.425) 37.338======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( 6.937 8.498 6.452) 12.727 1.321 ( 2.154 6.394 9.206) 11.414 1.892 ( 13.104 15.547 -2.837) 20.530 3.595 ( 3.261 2.587 -0.942) 4.268 3.857 ( 2.775 0.867 -0.973) 3.066 4.037 ( 7.489 10.379 1.863) 12.934 4.356 ( 11.411 6.237 -4.366) 13.718 4.661 ( 4.293 0.236 -2.571) 5.009 5.032 ( -7.154 -7.159 2.088) 10.334 5.592 ( 1.080 -3.242 0.486) 3.452 6.660 ( -1.252 5.610 -4.736) 7.448 7.932 ( -30.360 -27.578 4.368) 41.248======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( 1.973 3.425 4.472) 5.968 1.553 ( 8.033 12.283 2.231) 14.845 2.276 ( 15.809 13.587 -2.180) 20.959 3.676 ( 3.300 3.642 -1.514) 5.142 3.905 ( 2.307 1.580 -0.627) 2.866 4.273 ( 8.469 7.092 3.506) 11.589 4.498 ( 4.105 2.522 -4.629) 6.681 4.806 ( 11.018 1.777 -3.821) 11.796 4.851 ( -7.324 -6.194 0.157) 9.593 5.568 ( -1.155 -1.370 0.397) 1.835 6.620 ( -7.073 1.982 -4.310) 8.516 7.200 ( -27.183 -22.942 6.051) 36.081======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( 3.372 3.585 0.145) 4.923 1.801 ( 6.760 11.900 1.381) 13.755 2.624 ( 12.665 9.520 -2.158) 15.990 3.760 ( 3.021 4.082 -2.046) 5.475 3.963 ( 2.367 2.298 0.112) 3.301 4.444 ( 4.091 2.616 1.186) 4.999 4.576 ( 4.028 3.245 -4.031) 6.558 4.681 ( -5.919 -4.454 2.119) 7.705 4.961 ( 9.271 -1.738 -7.940) 12.330 5.542 ( -1.695 0.737 1.265) 2.239 6.295 ( -26.535 -4.353 -6.787) 27.733 6.845 ( -0.717 -9.683 14.255) 17.248======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 3.315 3.026 -1.915) 4.880 2.007 ( 4.200 10.583 1.240) 11.453 2.841 ( 5.920 5.012 -3.870) 8.668 3.837 ( 2.321 4.060 -1.985) 5.081 4.021 ( 1.450 2.525 0.407) 2.940 4.414 ( -5.932 -3.270 -4.376) 8.064 4.561 ( -1.339 0.482 -5.443) 5.626 4.740 ( 6.825 3.335 5.444) 9.346 5.031 ( 6.214 -4.501 -6.496) 10.053 5.542 ( -0.644 2.346 2.231) 3.300 5.848 ( -19.402 -0.664 -1.539) 19.474 6.899 ( 6.344 -4.127 15.762) 17.485======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 2.498 2.298 -2.815) 4.410 2.146 ( 0.610 8.957 1.255) 9.065 2.897 ( -0.154 1.910 -6.222) 6.510 3.897 ( 1.076 3.412 -1.499) 3.879 4.049 ( -1.001 1.289 0.490) 1.704 4.250 ( -6.992 -1.214 -6.830) 9.849 4.521 ( -1.156 -0.402 -5.349) 5.487 4.915 ( 7.629 3.461 3.059) 8.918 5.054 ( 3.333 -3.872 -0.135) 5.111 5.577 ( 0.659 2.458 2.332) 3.452 5.641 ( -8.201 3.242 2.196) 9.088 7.051 ( 8.877 -2.589 15.075) 17.685======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( -0.000 11.096 6.313) 12.766 1.302 ( -0.000 8.502 14.083) 16.450 1.715 ( 0.000 14.876 -2.062) 15.018 3.506 ( -0.000 1.332 0.601) 1.461 3.847 ( 0.000 1.312 -2.166) 2.533 3.871 ( -0.000 14.758 -0.392) 14.763 4.087 ( -0.000 8.771 1.574) 8.911 4.620 ( 0.000 -1.419 -4.795) 5.001 5.189 ( -0.000 -11.285 3.491) 11.812 5.523 ( -0.000 -1.741 2.944) 3.420 6.673 ( 0.000 10.495 -5.913) 12.046 8.512 ( 0.000 -34.116 1.813) 34.164======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.277 ( 6.402 12.280 4.636) 14.604 1.397 ( -0.523 3.408 9.998) 10.576 1.906 ( 4.597 20.047 -4.984) 21.163 3.558 ( 3.462 2.168 0.454) 4.110 3.848 ( -0.015 2.748 -0.667) 2.828 4.058 ( 4.060 12.300 0.808) 12.978 4.245 ( 7.739 7.938 0.930) 11.125 4.605 ( 1.347 -0.657 -1.944) 2.455 5.058 ( -4.275 -8.768 1.258) 9.835 5.541 ( 2.134 -1.716 2.363) 3.617 6.711 ( -0.975 2.888 -4.643) 5.554 8.048 ( -16.392 -31.047 -1.459) 35.139======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( -0.338 3.115 4.297) 5.318 1.559 ( 8.140 13.488 2.482) 15.948 2.201 ( 9.671 18.105 -3.001) 20.744 3.649 ( 3.929 3.533 -0.548) 5.312 3.888 ( 1.664 2.610 0.143) 3.099 4.245 ( 5.345 9.022 2.806) 10.855 4.429 ( 5.971 4.314 -3.160) 8.016 4.662 ( 6.036 0.750 0.651) 6.117 4.899 ( -5.810 -6.554 -1.167) 8.835 5.564 ( 1.010 -0.712 2.127) 2.460 6.679 ( -1.049 -2.565 -1.319) 3.069 7.418 ( -24.726 -24.305 -3.685) 34.867======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( 1.422 3.515 0.798) 3.874 1.830 ( 6.856 14.615 1.488) 16.212 2.524 ( 11.022 13.215 -1.524) 17.275 3.746 ( 3.333 4.763 -1.608) 6.032 3.950 ( 2.288 3.007 0.859) 3.875 4.409 ( 4.336 4.536 1.770) 6.520 4.526 ( 4.437 2.895 -1.967) 5.652 4.732 ( -4.337 -4.596 -1.075) 6.409 4.787 ( 5.530 -0.814 -3.532) 6.612 5.574 ( -0.528 0.542 1.942) 2.084 6.625 ( -8.484 1.277 -3.996) 9.464 6.808 ( -15.697 -20.897 4.187) 26.469======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( 2.403 3.467 -0.760) 4.286 2.069 ( 4.343 14.367 1.449) 15.079 2.780 ( 7.449 8.195 -1.966) 11.248 3.839 ( 2.467 5.559 -2.018) 6.408 4.024 ( 2.177 3.582 1.061) 4.324 4.442 ( -1.948 -2.513 -1.321) 3.443 4.586 ( -2.418 2.735 -8.395) 9.154 4.687 ( 4.589 1.450 6.392) 8.001 4.854 ( 6.588 -3.912 -3.991) 8.639 5.575 ( -0.646 0.935 1.721) 2.062 6.214 ( -24.617 0.851 -6.641) 25.511 6.754 ( 8.958 -10.304 13.687) 19.333======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( 2.095 2.974 -1.549) 3.954 2.254 ( 1.001 13.466 1.972) 13.647 2.902 ( 1.264 4.216 -3.836) 5.839 3.914 ( 0.922 5.084 -1.778) 5.465 4.088 ( 0.321 3.788 0.766) 3.878 4.330 ( -6.065 -1.547 -4.367) 7.632 4.525 ( -2.488 0.027 -6.826) 7.265 4.835 ( 6.968 2.861 3.718) 8.400 4.923 ( 7.002 -3.710 -0.035) 7.925 5.589 ( 0.402 0.911 1.429) 1.742 5.897 ( -15.819 6.034 -1.309) 16.982 6.883 ( 10.972 -8.475 13.571) 19.401======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( -0.000 13.544 3.095) 13.893 1.452 ( -0.000 1.172 5.817) 5.933 2.058 ( 0.000 21.967 -5.246) 22.584 3.551 ( -0.000 2.629 1.639) 3.099 3.874 ( 0.000 2.566 -0.931) 2.729 4.153 ( -0.000 13.057 1.392) 13.131 4.274 ( -0.000 8.240 4.900) 9.587 4.587 ( -0.000 0.039 0.557) 0.558 5.013 ( 0.000 -8.300 -0.250) 8.304 5.519 ( -0.000 -0.552 2.060) 2.133 6.695 ( 0.000 -5.214 -3.753) 6.425 7.879 ( 0.000 -27.693 -7.487) 28.687======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( -0.664 1.787 1.304) 2.310 1.561 ( 6.975 13.357 1.774) 15.172 2.274 ( 3.191 19.998 -3.171) 20.497 3.617 ( 3.360 3.409 1.469) 5.007 3.902 ( 0.494 3.220 -0.044) 3.258 4.283 ( 1.948 8.653 2.869) 9.322 4.396 ( 3.035 6.177 1.696) 7.088 4.621 ( 2.042 2.278 4.547) 5.480 4.908 ( -3.271 -6.224 -2.551) 7.480 5.540 ( 1.867 -0.056 1.707) 2.531 6.597 ( 0.793 -13.491 -0.695) 13.532 7.503 ( -13.197 -18.550 -12.076) 25.770======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 0.539 2.727 -0.478) 2.820 1.837 ( 9.178 13.747 0.812) 16.549 2.516 ( 5.984 15.504 -1.035) 16.651 3.723 ( 4.208 4.332 0.316) 6.048 3.954 ( 1.578 3.585 0.882) 4.015 4.406 ( 2.878 5.490 2.381) 6.640 4.476 ( 3.052 0.801 0.950) 3.296 4.708 ( 2.027 2.813 3.613) 5.008 4.784 ( -4.220 -2.825 -4.584) 6.841 5.578 ( 1.311 0.445 1.404) 1.971 6.496 ( 5.495 -18.032 5.159) 19.544 7.040 ( -21.115 -7.017 -14.112) 26.348======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( 1.766 3.317 -0.534) 3.796 2.114 ( 7.597 13.832 0.413) 15.786 2.748 ( 6.482 10.372 -0.224) 12.233 3.838 ( 3.816 5.641 -0.592) 6.836 4.026 ( 2.241 3.771 1.207) 4.550 4.439 ( -0.996 -2.072 -0.027) 2.299 4.577 ( 5.507 1.755 1.093) 5.883 4.696 ( -3.090 2.169 -2.199) 4.369 4.753 ( 1.323 -0.273 -0.440) 1.421 5.592 ( -0.215 0.160 0.572) 0.631 6.471 ( 5.069 -17.580 7.932) 19.942 6.624 ( -16.698 3.163 -9.692) 19.564======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 1.925 3.257 -0.459) 3.811 2.350 ( 4.552 13.462 1.047) 14.249 2.906 ( 2.975 5.848 -1.299) 6.688 3.948 ( 1.976 6.827 -0.682) 7.140 4.101 ( 2.184 3.471 0.010) 4.101 4.375 ( -2.739 -2.772 -0.490) 3.928 4.571 ( -4.997 0.318 -6.040) 7.845 4.755 ( 6.357 0.090 3.537) 7.275 4.802 ( 4.418 1.859 0.269) 4.800 5.593 ( 0.174 0.363 0.523) 0.661 6.229 ( -17.280 4.469 -5.055) 18.550 6.630 ( 11.571 -11.103 9.423) 18.600======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 0.000 1.372 -1.465) 2.007 1.630 ( -0.000 13.249 0.661) 13.265 2.427 ( 0.000 18.025 -1.874) 18.122 3.632 ( -0.000 4.125 2.743) 4.953 3.927 ( -0.000 3.179 -0.277) 3.191 4.348 ( -0.000 5.099 5.176) 7.266 4.436 ( -0.000 3.687 1.348) 3.926 4.672 ( -0.000 6.698 9.122) 11.317 4.870 ( 0.000 -4.561 -4.286) 6.259 5.527 ( -0.000 0.376 0.357) 0.519 6.412 ( 0.000 -21.386 -0.839) 21.403 7.419 ( 0.000 -10.714 -16.886) 19.998======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 0.442 2.384 -1.832) 3.039 1.818 ( 7.204 12.274 -0.137) 14.233 2.596 ( 2.046 14.054 0.025) 14.202 3.709 ( 2.790 4.566 2.382) 5.857 3.966 ( 1.133 3.305 0.127) 3.496 4.419 ( 2.263 1.217 7.541) 7.967 4.454 ( -0.052 -0.249 0.390) 0.466 4.775 ( -1.195 6.888 8.495) 11.002 4.803 ( -2.171 0.030 -6.619) 6.966 5.554 ( 2.230 0.733 -0.114) 2.350 6.222 ( 4.001 -22.704 0.872) 23.070 7.198 ( -10.386 -3.416 -17.960) 21.026======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 1.445 3.167 -0.564) 3.526 2.081 ( 10.245 11.377 -0.898) 15.336 2.762 ( 3.853 9.597 1.445) 10.442 3.820 ( 4.162 4.855 1.467) 6.561 4.029 ( 2.169 3.554 0.432) 4.185 4.427 ( -0.171 -4.790 1.585) 5.048 4.505 ( 3.796 -0.191 6.650) 7.660 4.752 ( -1.880 3.752 -5.739) 7.110 4.817 ( -4.310 5.384 2.798) 7.442 5.589 ( 0.907 0.350 -0.805) 1.263 6.154 ( 10.757 -18.398 4.682) 21.821 6.909 ( -15.998 2.306 -15.469) 22.373======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 0.000 2.833 -1.464) 3.189 1.862 ( -0.000 10.685 -0.616) 10.703 2.701 ( -0.000 10.290 1.677) 10.426 3.740 ( -0.000 4.792 2.839) 5.570 3.985 ( -0.000 2.783 -0.037) 2.784 4.398 ( -0.000 -6.655 8.280) 10.623 4.472 ( -0.000 1.808 2.732) 3.276 4.801 ( 0.000 2.076 -6.817) 7.126 4.909 ( -0.000 8.917 8.915) 12.609 5.535 ( 0.000 0.942 -1.703) 1.947 5.971 ( 0.000 -20.632 -1.843) 20.714 7.199 ( 0.000 -0.439 -18.981) 18.986======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( 0.903 3.323 0.223) 3.450 2.019 ( 7.429 9.025 -1.114) 11.742 2.803 ( 1.699 6.297 3.256) 7.290 3.815 ( 2.404 4.418 2.242) 5.507 4.024 ( 1.753 2.500 -0.039) 3.053 4.359 ( 1.244 -8.452 6.273) 10.599 4.499 ( 0.465 -0.013 5.438) 5.458 4.804 ( -1.151 5.833 -6.189) 8.582 4.969 ( -4.698 6.061 5.033) 9.173 5.565 ( 2.217 1.207 -2.037) 3.243 5.843 ( 6.734 -15.269 -0.575) 16.698 7.075 ( -8.002 2.746 -17.391) 19.340======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( -0.000 3.492 1.778) 3.918 2.027 ( 0.000 6.930 -0.805) 6.977 2.846 ( -0.000 2.818 5.087) 5.815 3.841 ( -0.000 3.658 1.702) 4.035 4.027 ( -0.000 1.437 0.097) 1.441 4.286 ( -0.000 -9.031 7.248) 11.580 4.511 ( -0.000 -0.838 5.317) 5.383 4.858 ( 0.000 7.714 -5.240) 9.326 5.080 ( -0.000 3.008 4.471) 5.389 5.539 ( 0.000 1.336 -3.408) 3.661 5.666 ( 0.000 -8.814 -2.580) 9.184 7.113 ( 0.000 4.436 -17.184) 17.748======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( -0.000 0.000 9.680) 9.680 0.845 ( -0.000 0.000 9.680) 9.680 1.540 ( -0.000 0.000 20.156) 20.156 3.490 ( 0.000 -0.000 -0.728) 0.728 3.490 ( 0.000 -0.000 -0.728) 0.728 3.841 ( 0.000 -0.000 -2.796) 2.796 3.841 ( 0.000 -0.000 -2.796) 2.796 4.677 ( 0.000 -0.000 -8.849) 8.849 5.608 ( -0.000 0.000 2.375) 2.375 5.608 ( -0.000 0.000 2.375) 2.375 6.101 ( -0.000 0.000 2.093) 2.093 9.401 ( -0.000 0.000 0.724) 0.724======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( 5.827 3.364 7.121) 9.797 1.018 ( 11.612 6.704 10.250) 16.878 1.582 ( -1.184 -0.684 12.741) 12.814 3.509 ( 1.520 0.878 -1.187) 2.119 3.595 ( 9.200 5.311 -0.241) 10.625 3.841 ( 0.558 0.322 -2.267) 2.357 3.938 ( 9.680 5.589 -2.483) 11.450 4.643 ( -0.203 -0.117 -7.475) 7.478 5.400 ( -11.969 -6.910 4.707) 14.600 5.646 ( 0.634 0.366 0.540) 0.910 6.323 ( 12.883 7.438 -1.537) 14.955 9.112 ( -24.663 -14.239 3.506) 28.693======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 9.172 5.296 4.179) 11.386 1.296 ( 5.551 3.205 15.200) 16.496 1.666 ( 10.519 6.073 -1.514) 12.240 3.550 ( 2.657 1.534 -1.504) 3.417 3.851 ( 1.241 0.716 -1.707) 2.229 3.851 ( 12.673 7.317 1.533) 14.714 4.203 ( 13.412 7.743 -3.873) 15.963 4.632 ( 1.714 0.989 -5.145) 5.512 5.173 ( -9.989 -5.767 3.622) 12.089 5.638 ( -1.165 -0.673 -1.324) 1.887 6.540 ( 6.573 3.795 -2.114) 7.879 8.436 ( -35.662 -20.590 5.522) 41.548======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 0.364 0.210 8.886) 8.896 1.376 ( 10.890 6.287 2.047) 12.740 2.025 ( 19.398 11.199 -2.340) 22.520 3.614 ( 3.560 2.056 -1.927) 4.540 3.878 ( 1.861 1.074 -1.070) 2.400 4.144 ( 12.125 7.000 2.929) 14.304 4.419 ( 6.702 3.869 -5.650) 9.582 4.721 ( 8.006 4.623 -5.072) 10.545 4.973 ( -9.008 -5.201 2.172) 10.626 5.593 ( -2.142 -1.236 -2.028) 3.198 6.596 ( -1.147 -0.662 -0.681) 1.489 7.651 ( -35.038 -20.229 6.841) 41.033======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 2.606 1.504 3.059) 4.290 1.626 ( 10.891 6.288 1.081) 12.622 2.430 ( 16.788 9.693 -1.633) 19.454 3.691 ( 3.939 2.274 -2.476) 5.178 3.926 ( 2.586 1.493 -0.283) 2.999 4.380 ( 7.671 4.429 2.176) 9.121 4.507 ( 3.890 2.246 -4.995) 6.717 4.778 ( -6.905 -3.987 1.706) 8.154 4.903 ( 7.455 4.304 -8.679) 12.224 5.542 ( -1.716 -0.990 -0.984) 2.212 6.419 ( -16.606 -9.587 -2.797) 19.377 7.080 ( -15.726 -9.079 14.354) 23.147======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 3.569 2.061 -0.084) 4.122 1.854 ( 9.143 5.279 0.892) 10.595 2.725 ( 9.992 5.769 -2.824) 11.878 3.769 ( 3.850 2.223 -2.521) 5.111 3.984 ( 2.465 1.423 0.060) 2.847 4.454 ( -3.066 -1.770 -2.677) 4.439 4.529 ( 0.649 0.375 -7.792) 7.828 4.721 ( 2.216 1.280 8.091) 8.486 5.016 ( 5.630 3.250 -10.782) 12.590 5.519 ( -0.251 -0.145 1.305) 1.337 5.960 ( -19.299 -11.142 -0.110) 22.285 7.003 ( -0.163 -0.094 18.028) 18.029======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( -0.000 5.356 7.149) 8.932 1.078 ( -0.000 15.274 7.855) 17.176 1.634 ( -0.000 -1.825 10.718) 10.873 3.488 ( 0.000 0.645 -0.152) 0.663 3.608 ( -0.000 11.301 -0.932) 11.339 3.824 ( 0.000 0.341 -1.994) 2.023 3.916 ( 0.000 8.127 -1.112) 8.202 4.616 ( 0.000 -0.443 -6.670) 6.684 5.450 ( -0.000 -13.808 2.974) 14.125 5.578 ( -0.000 -2.552 3.087) 4.005 6.359 ( 0.000 18.235 -2.613) 18.421 9.133 ( 0.000 -26.133 2.207) 26.226======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 6.288 8.013 4.719) 11.226 1.314 ( 5.213 12.645 11.607) 17.938 1.636 ( 0.344 3.102 -0.093) 3.123 3.522 ( 2.362 1.560 -0.438) 2.864 3.760 ( 4.702 8.549 0.126) 9.757 3.860 ( 2.913 5.073 -1.159) 5.964 4.075 ( 8.843 9.255 -1.033) 12.843 4.597 ( 0.755 0.034 -4.752) 4.811 5.256 ( -7.216 -10.337 2.896) 12.934 5.599 ( 2.450 -3.272 1.278) 4.283 6.534 ( 2.705 12.114 -3.198) 12.818 8.679 ( -20.157 -31.036 2.749) 37.109======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.317 ( 7.608 10.456 2.472) 13.165 1.427 ( -1.776 0.520 9.742) 9.917 1.856 ( 14.262 15.698 -3.722) 21.533 3.583 ( 2.654 2.954 -1.182) 4.143 3.849 ( 2.490 1.254 -0.690) 2.872 4.058 ( 8.706 10.848 1.867) 14.034 4.313 ( 9.240 6.408 -3.863) 11.890 4.629 ( 4.391 1.908 -3.161) 5.736 5.052 ( -7.461 -8.426 1.627) 11.372 5.594 ( -0.120 -1.787 -0.286) 1.814 6.630 ( -0.229 4.821 -1.066) 4.943 7.971 ( -28.753 -29.758 3.289) 41.510======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( 0.253 1.128 4.182) 4.339 1.570 ( 7.636 12.282 0.943) 14.493 2.257 ( 16.180 13.625 -1.277) 21.191 3.657 ( 2.841 3.824 -2.054) 5.188 3.902 ( 2.372 2.068 -0.136) 3.150 4.303 ( 8.408 7.041 1.930) 11.135 4.449 ( 4.451 3.335 -4.326) 7.046 4.749 ( 7.592 2.680 -6.514) 10.357 4.862 ( -6.442 -7.348 1.628) 9.907 5.568 ( -1.627 0.277 -0.507) 1.727 6.593 ( -8.973 -0.029 -1.107) 9.041 7.277 ( -21.595 -23.563 8.684) 33.120======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 2.184 2.359 1.390) 3.502 1.813 ( 6.710 12.107 0.812) 13.866 2.604 ( 12.008 9.292 -1.483) 15.256 3.735 ( 2.891 4.272 -2.589) 5.771 3.965 ( 2.331 2.671 0.259) 3.554 4.451 ( 2.818 1.650 0.182) 3.271 4.506 ( 0.146 2.073 -7.842) 8.113 4.733 ( -1.302 -3.077 6.376) 7.198 4.869 ( 7.827 0.141 -9.209) 12.086 5.551 ( -1.411 1.851 0.525) 2.385 6.243 ( -24.008 -6.149 -3.318) 25.004 7.012 ( 0.856 -10.243 17.324) 20.144======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( -0.000 10.127 4.178) 10.955 1.440 ( -0.000 9.500 12.023) 15.323 1.670 ( 0.000 9.235 -6.524) 11.307 3.513 ( -0.000 1.817 0.714) 1.953 3.831 ( 0.000 1.493 -0.839) 1.712 3.872 ( -0.000 15.448 0.339) 15.451 4.107 ( -0.000 10.567 2.182) 10.790 4.578 ( 0.000 0.329 -2.869) 2.888 5.214 ( -0.000 -12.047 1.448) 12.134 5.556 ( -0.000 -2.056 3.265) 3.858 6.615 ( 0.000 10.054 -5.168) 11.304 8.519 ( 0.000 -36.607 -0.227) 36.607======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( 6.281 11.775 2.512) 13.580 1.485 ( -1.674 -1.576 5.957) 6.385 1.852 ( 5.786 21.340 -4.625) 22.589 3.563 ( 2.706 2.672 0.649) 3.858 3.843 ( 0.256 2.863 -0.211) 2.882 4.069 ( 4.701 13.141 0.885) 13.985 4.257 ( 4.791 8.918 1.514) 10.237 4.592 ( 1.549 1.742 -0.294) 2.350 5.067 ( -4.481 -10.117 0.323) 11.069 5.565 ( 1.547 -1.634 2.238) 3.173 6.666 ( 0.191 3.461 -3.821) 5.159 8.028 ( -15.173 -35.205 -2.262) 38.402======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( -0.550 0.505 1.789) 1.938 1.576 ( 7.786 13.269 0.863) 15.409 2.178 ( 10.467 18.486 -1.260) 21.281 3.645 ( 2.937 3.914 -0.267) 4.901 3.890 ( 1.779 3.057 0.099) 3.538 4.269 ( 5.565 9.390 1.495) 11.018 4.402 ( 4.107 5.188 -1.561) 6.798 4.666 ( 3.880 3.091 0.070) 4.961 4.891 ( -5.579 -8.332 -0.397) 10.035 5.581 ( 0.510 -0.116 0.916) 1.055 6.669 ( -0.369 -0.620 -0.445) 0.848 7.391 ( -20.935 -29.836 -1.410) 36.475======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( 1.313 2.182 0.865) 2.689 1.839 ( 6.936 14.650 0.360) 16.213 2.513 ( 10.874 13.311 -0.402) 17.192 3.731 ( 2.555 5.124 -1.176) 5.845 3.957 ( 2.333 3.439 0.252) 4.163 4.420 ( 3.547 3.988 -0.021) 5.337 4.497 ( 2.393 4.277 -2.957) 5.724 4.743 ( -3.012 -5.711 2.629) 6.972 4.748 ( 3.859 1.185 -3.712) 5.485 5.585 ( -0.592 0.991 0.162) 1.166 6.560 ( -17.651 -0.526 -6.871) 18.948 6.901 ( -1.343 -22.320 12.022) 25.387======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -0.000 12.678 1.567) 12.774 1.486 ( 0.000 -2.389 0.192) 2.396 2.014 ( 0.000 23.264 -2.687) 23.419 3.570 ( -0.000 3.206 1.988) 3.772 3.868 ( -0.000 2.639 -0.151) 2.643 4.167 ( -0.000 13.816 0.898) 13.845 4.321 ( -0.000 8.486 4.186) 9.462 4.609 ( -0.000 3.364 3.633) 4.951 5.007 ( 0.000 -9.806 -0.890) 9.846 5.543 ( -0.000 -1.430 2.457) 2.843 6.652 ( 0.000 -3.197 -4.299) 5.358 7.800 ( 0.000 -33.223 -7.546) 34.069======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( -0.196 0.113 -1.848) 1.862 1.573 ( 6.940 12.839 0.457) 14.602 2.253 ( 3.578 20.738 -0.782) 21.059 3.635 ( 2.518 3.891 1.927) 5.020 3.901 ( 0.757 3.293 -0.028) 3.379 4.307 ( 2.014 10.082 1.260) 10.358 4.414 ( 1.292 5.619 2.235) 6.184 4.680 ( 0.744 5.377 6.395) 8.388 4.883 ( -3.434 -8.186 -2.211) 9.148 5.557 ( 1.914 -0.753 1.433) 2.507 6.591 ( 2.564 -10.776 -0.407) 11.084 7.381 ( -11.829 -24.533 -11.045) 29.390======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 0.000 1.262 -2.996) 3.251 1.633 ( -0.000 12.699 -0.217) 12.701 2.419 ( -0.000 18.922 0.333) 18.925 3.662 ( -0.000 4.385 2.903) 5.259 3.925 ( -0.000 3.181 -0.046) 3.181 4.387 ( -0.000 8.035 1.443) 8.164 4.458 ( -0.000 2.971 3.558) 4.635 4.769 ( -0.000 5.871 7.273) 9.347 4.837 ( 0.000 -4.557 -0.324) 4.569 5.532 ( -0.000 -0.868 0.734) 1.137 6.407 ( 0.000 -20.661 0.038) 20.661 7.243 ( 0.000 -14.129 -16.531) 21.747======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( -0.000 0.000 5.965) 5.965 0.927 ( -0.000 0.000 5.965) 5.965 1.716 ( -0.000 0.000 13.112) 13.112 3.483 ( 0.000 -0.000 -0.674) 0.674 3.483 ( 0.000 -0.000 -0.674) 0.674 3.818 ( 0.000 -0.000 -1.697) 1.697 3.818 ( 0.000 -0.000 -1.697) 1.697 4.596 ( 0.000 -0.000 -6.296) 6.296 5.629 ( -0.000 0.000 1.576) 1.576 5.629 ( -0.000 0.000 1.576) 1.576 6.119 ( -0.000 0.000 1.322) 1.322 9.407 ( -0.000 0.000 0.491) 0.491======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 5.081 2.933 3.585) 6.875 1.104 ( 13.324 7.693 6.143) 16.566 1.689 ( -5.158 -2.978 7.509) 9.584 3.497 ( 1.331 0.769 -0.985) 1.825 3.596 ( 9.722 5.613 0.188) 11.227 3.822 ( 0.607 0.350 -1.472) 1.631 3.917 ( 9.310 5.375 -1.421) 10.843 4.578 ( 0.242 0.140 -4.809) 4.817 5.441 ( -11.613 -6.705 3.097) 13.763 5.645 ( -0.193 -0.111 -0.697) 0.732 6.316 ( 12.000 6.928 0.065) 13.857 9.139 ( -23.152 -13.367 1.753) 26.791======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 8.565 4.945 1.382) 9.986 1.447 ( 7.562 4.366 13.486) 16.066 1.631 ( 6.386 3.687 -5.212) 9.030 3.535 ( 2.427 1.401 -1.404) 3.134 3.836 ( 1.213 0.700 -1.114) 1.789 3.867 ( 13.527 7.810 1.172) 15.663 4.165 ( 12.064 6.965 -3.401) 14.339 4.585 ( 2.089 1.206 -3.469) 4.226 5.204 ( -10.448 -6.032 2.262) 12.274 5.618 ( -1.583 -0.914 -2.393) 3.011 6.538 ( 6.870 3.966 1.505) 8.074 8.482 ( -34.731 -20.052 3.398) 40.247======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.388 ( 10.684 6.168 0.239) 12.339 1.454 ( -2.250 -1.299 6.019) 6.556 2.006 ( 20.229 11.679 -0.922) 23.377 3.592 ( 3.258 1.881 -2.164) 4.340 3.870 ( 2.127 1.228 -0.481) 2.503 4.166 ( 12.344 7.127 1.164) 14.301 4.366 ( 6.885 3.975 -4.615) 9.193 4.660 ( 5.934 3.426 -5.884) 9.032 4.994 ( -9.053 -5.227 1.674) 10.587 5.569 ( -1.822 -1.052 -2.451) 3.230 6.611 ( -1.712 -0.988 3.091) 3.669 7.723 ( -32.620 -18.833 7.081) 38.326======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( -0.000 5.137 3.789) 6.383 1.136 ( -0.000 16.474 3.213) 16.784 1.717 ( -0.000 -6.202 4.984) 7.957 3.487 ( -0.000 0.991 0.005) 0.991 3.601 ( -0.000 11.559 -0.381) 11.565 3.811 ( 0.000 0.466 -0.598) 0.758 3.908 ( -0.000 9.194 -0.412) 9.203 4.562 ( 0.000 0.137 -3.435) 3.438 5.468 ( 0.000 -13.331 0.629) 13.346 5.608 ( -0.000 -2.004 2.647) 3.321 6.337 ( 0.000 15.820 -1.711) 15.912 9.148 ( 0.000 -25.645 0.745) 25.656======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 5.258 8.083 1.618) 9.777 1.406 ( 9.430 17.725 5.233) 20.748 1.625 ( -3.381 -5.051 -1.233) 6.202 3.518 ( 1.653 2.044 -0.199) 2.636 3.762 ( 4.680 8.084 0.090) 9.342 3.853 ( 3.495 6.016 -0.276) 6.963 4.068 ( 7.068 10.242 -0.344) 12.449 4.562 ( 0.768 0.860 -1.813) 2.149 5.277 ( -6.811 -10.984 0.983) 12.962 5.608 ( 0.399 -1.966 0.461) 2.058 6.512 ( 4.415 10.375 -1.043) 11.324 8.698 ( -19.057 -31.749 0.835) 37.039======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 7.168 10.899 -0.118) 13.045 1.501 ( -3.177 -3.125 3.297) 5.544 1.828 ( 16.144 16.943 -0.597) 23.411 3.572 ( 1.843 3.305 -0.982) 3.909 3.843 ( 2.396 1.575 -0.284) 2.881 4.072 ( 9.169 11.048 0.508) 14.367 4.278 ( 7.268 7.063 -2.638) 10.472 4.601 ( 2.864 2.613 -1.921) 4.327 5.065 ( -7.193 -9.033 0.725) 11.570 5.585 ( -1.316 -0.390 -1.399) 1.960 6.635 ( 1.533 3.384 1.936) 4.189 8.002 ( -26.273 -30.788 2.705) 40.565======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( -0.000 9.732 1.516) 9.850 1.543 ( -0.000 20.912 4.766) 21.448 1.587 ( 0.000 -4.685 -6.365) 7.903 3.522 ( -0.000 2.350 1.021) 2.562 3.829 ( -0.000 1.508 0.300) 1.537 3.874 ( -0.000 15.818 -0.143) 15.818 4.133 ( -0.000 12.283 2.769) 12.592 4.564 ( -0.000 1.689 0.328) 1.720 5.219 ( 0.000 -12.237 -0.531) 12.249 5.589 ( -0.000 -2.082 3.070) 3.709 6.567 ( 0.000 8.976 -3.854) 9.769 8.509 ( 0.000 -38.588 -1.788) 38.629======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( -0.000 0.000 2.014) 2.014 0.969 ( -0.000 0.000 2.014) 2.014 1.809 ( -0.000 0.000 4.577) 4.577 3.477 ( 0.000 -0.000 -0.277) 0.277 3.477 ( 0.000 -0.000 -0.277) 0.277 3.806 ( 0.000 -0.000 -0.558) 0.558 3.806 ( 0.000 -0.000 -0.558) 0.558 4.550 ( 0.000 -0.000 -2.298) 2.298 5.640 ( -0.000 0.000 0.551) 0.551 5.640 ( -0.000 0.000 0.551) 0.551 6.128 ( -0.000 0.000 0.451) 0.451 9.411 ( -0.000 0.000 0.173) 0.173======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 5.20e-05 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( 4.619 2.667 -0.137) 5.335 1.145 ( 14.303 8.258 1.557) 16.589 1.736 ( -6.635 -3.831 1.362) 7.782 3.489 ( 1.110 0.641 -0.469) 1.365 3.598 ( 10.066 5.812 0.239) 11.626 3.811 ( 0.535 0.309 -0.563) 0.836 3.908 ( 8.725 5.037 -0.413) 10.083 4.548 ( 0.326 0.188 -0.801) 0.885 5.464 ( -11.451 -6.611 1.368) 13.293 5.632 ( -1.026 -0.592 -1.810) 2.163 6.322 ( 12.363 7.138 0.998) 14.311 9.150 ( -22.394 -12.929 0.462) 25.862=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 531.878 531.878 1072.701 0.000 -0.000 -0.000 3/40500 20.0 241.834 241.834 258.393 0.000 -0.000 -0.000 3/40500 30.0 119.848 119.848 101.197 0.000 -0.000 -0.000 3/40500 40.0 60.453 60.453 43.638 0.000 -0.000 -0.000 3/40500 50.0 35.567 35.567 22.751 0.000 -0.000 -0.000 3/40500 60.0 23.957 23.957 14.072 0.000 -0.000 -0.000 3/40500 70.0 17.745 17.745 9.827 0.000 -0.000 -0.000 3/40500 80.0 14.023 14.023 7.454 0.000 -0.000 -0.000 3/40500 90.0 11.592 11.592 5.985 0.000 -0.000 -0.000 3/40500 100.0 9.894 9.894 5.002 0.000 -0.000 -0.000 3/40500 110.0 8.647 8.647 4.303 0.000 -0.000 -0.000 3/40500 120.0 7.692 7.692 3.783 0.000 -0.000 -0.000 3/40500 130.0 6.937 6.937 3.381 0.000 -0.000 -0.000 3/40500 140.0 6.325 6.325 3.061 0.000 -0.000 -0.000 3/40500 150.0 5.819 5.819 2.799 0.000 -0.000 -0.000 3/40500 160.0 5.391 5.391 2.582 0.000 -0.000 -0.000 3/40500 170.0 5.026 5.026 2.398 0.000 -0.000 -0.000 3/40500 180.0 4.709 4.709 2.240 0.000 -0.000 -0.000 3/40500 190.0 4.432 4.432 2.103 0.000 -0.000 -0.000 3/40500 200.0 4.187 4.187 1.982 0.000 -0.000 -0.000 3/40500 210.0 3.969 3.969 1.875 0.000 -0.000 -0.000 3/40500 220.0 3.774 3.774 1.780 0.000 -0.000 -0.000 3/40500 230.0 3.598 3.598 1.695 0.000 -0.000 -0.000 3/40500 240.0 3.438 3.438 1.617 0.000 -0.000 -0.000 3/40500 250.0 3.292 3.292 1.547 0.000 -0.000 -0.000 3/40500 260.0 3.158 3.158 1.483 0.000 -0.000 -0.000 3/40500 270.0 3.035 3.035 1.424 0.000 -0.000 -0.000 3/40500 280.0 2.922 2.922 1.370 0.000 -0.000 -0.000 3/40500 290.0 2.817 2.817 1.320 0.000 -0.000 -0.000 3/40500 300.0 2.720 2.720 1.273 0.000 -0.000 -0.000 3/40500 310.0 2.629 2.629 1.230 0.000 -0.000 -0.000 3/40500 320.0 2.544 2.544 1.190 0.000 -0.000 -0.000 3/40500 330.0 2.465 2.465 1.152 0.000 -0.000 -0.000 3/40500 340.0 2.390 2.390 1.117 0.000 -0.000 -0.000 3/40500 350.0 2.320 2.320 1.084 0.000 -0.000 -0.000 3/40500 360.0 2.254 2.254 1.053 0.000 -0.000 -0.000 3/40500 370.0 2.192 2.192 1.023 0.000 -0.000 -0.000 3/40500 380.0 2.133 2.133 0.996 0.000 -0.000 -0.000 3/40500 390.0 2.077 2.077 0.969 0.000 -0.000 -0.000 3/40500 400.0 2.025 2.025 0.945 0.000 -0.000 -0.000 3/40500 410.0 1.974 1.974 0.921 0.000 -0.000 -0.000 3/40500 420.0 1.927 1.927 0.899 0.000 -0.000 -0.000 3/40500 430.0 1.881 1.881 0.877 0.000 -0.000 -0.000 3/40500 440.0 1.838 1.838 0.857 0.000 -0.000 -0.000 3/40500 450.0 1.797 1.797 0.837 0.000 -0.000 -0.000 3/40500 460.0 1.757 1.757 0.819 0.000 -0.000 -0.000 3/40500 470.0 1.719 1.719 0.801 0.000 -0.000 -0.000 3/40500 480.0 1.683 1.683 0.784 0.000 -0.000 -0.000 3/40500 490.0 1.649 1.649 0.768 0.000 -0.000 -0.000 3/40500 500.0 1.615 1.615 0.752 0.000 -0.000 -0.000 3/40500 510.0 1.584 1.584 0.738 0.000 -0.000 -0.000 3/40500 520.0 1.553 1.553 0.723 0.000 -0.000 -0.000 3/40500 530.0 1.523 1.523 0.709 0.000 -0.000 -0.000 3/40500 540.0 1.495 1.495 0.696 0.000 -0.000 -0.000 3/40500 550.0 1.468 1.468 0.683 0.000 -0.000 -0.000 3/40500 560.0 1.441 1.441 0.671 0.000 -0.000 -0.000 3/40500 570.0 1.416 1.416 0.659 0.000 -0.000 -0.000 3/40500 580.0 1.391 1.391 0.648 0.000 -0.000 -0.000 3/40500 590.0 1.368 1.368 0.637 0.000 -0.000 -0.000 3/40500 600.0 1.345 1.345 0.626 0.000 -0.000 -0.000 3/40500 610.0 1.323 1.323 0.616 0.000 -0.000 -0.000 3/40500 620.0 1.301 1.301 0.606 0.000 -0.000 -0.000 3/40500 630.0 1.281 1.281 0.596 0.000 -0.000 -0.000 3/40500 640.0 1.260 1.260 0.587 0.000 -0.000 -0.000 3/40500 650.0 1.241 1.241 0.577 0.000 -0.000 -0.000 3/40500 660.0 1.222 1.222 0.569 0.000 -0.000 -0.000 3/40500 670.0 1.204 1.204 0.560 0.000 -0.000 -0.000 3/40500 680.0 1.186 1.186 0.552 0.000 -0.000 -0.000 3/40500 690.0 1.169 1.169 0.544 0.000 -0.000 -0.000 3/40500 700.0 1.152 1.152 0.536 0.000 -0.000 -0.000 3/40500 710.0 1.136 1.136 0.528 0.000 -0.000 -0.000 3/40500 720.0 1.120 1.120 0.521 0.000 -0.000 -0.000 3/40500 730.0 1.105 1.105 0.514 0.000 -0.000 -0.000 3/40500 740.0 1.090 1.090 0.507 0.000 -0.000 -0.000 3/40500 750.0 1.075 1.075 0.500 0.000 -0.000 -0.000 3/40500 760.0 1.061 1.061 0.494 0.000 -0.000 -0.000 3/40500 770.0 1.047 1.047 0.487 0.000 -0.000 -0.000 3/40500 780.0 1.034 1.034 0.481 0.000 -0.000 -0.000 3/40500 790.0 1.021 1.021 0.475 0.000 -0.000 -0.000 3/40500 800.0 1.008 1.008 0.469 0.000 -0.000 -0.000 3/40500 810.0 0.996 0.996 0.463 0.000 -0.000 -0.000 3/40500 820.0 0.984 0.984 0.457 0.000 -0.000 -0.000 3/40500 830.0 0.972 0.972 0.452 0.000 -0.000 -0.000 3/40500 840.0 0.960 0.960 0.447 0.000 -0.000 -0.000 3/40500 850.0 0.949 0.949 0.441 0.000 -0.000 -0.000 3/40500 860.0 0.938 0.938 0.436 0.000 -0.000 -0.000 3/40500 870.0 0.927 0.927 0.431 0.000 -0.000 -0.000 3/40500 880.0 0.917 0.917 0.426 0.000 -0.000 -0.000 3/40500 890.0 0.906 0.906 0.421 0.000 -0.000 -0.000 3/40500 900.0 0.896 0.896 0.417 0.000 -0.000 -0.000 3/40500 910.0 0.886 0.886 0.412 0.000 -0.000 -0.000 3/40500 920.0 0.877 0.877 0.408 0.000 -0.000 -0.000 3/40500 930.0 0.867 0.867 0.403 0.000 -0.000 -0.000 3/40500 940.0 0.858 0.858 0.399 0.000 -0.000 -0.000 3/40500 950.0 0.849 0.849 0.395 0.000 -0.000 -0.000 3/40500 960.0 0.840 0.840 0.391 0.000 -0.000 -0.000 3/40500 970.0 0.832 0.832 0.387 0.000 -0.000 -0.000 3/40500 980.0 0.823 0.823 0.383 0.000 -0.000 -0.000 3/40500 990.0 0.815 0.815 0.379 0.000 -0.000 -0.000 3/40500 1000.0 0.807 0.807 0.375 0.000 -0.000 -0.000 3/40500Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 01:44:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|