# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/06c6fb0d-bf18-4e37-808e-508cd7b08aba/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 DyTlSe2 / R-3m (166) / materials id 568062](https://mdr.nims.go.jp/datasets/cdcd50a7-be76-4fc8-ac1a-2efd818ddb9a) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 17:54:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.048243286516623 1.182553812836213 7.603137923333324 b -2.048243286516618 1.182553812836213 7.603137923333324 c 0.000000000000002 -2.365107625672430 7.603137923333324Atomic positions (fractional): *1 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 *2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 *3 Se 0.26387670735617 0.26387670735617 0.26387670735617 78.960 4 Se 0.73612329264383 0.73612329264383 0.73612329264383 78.960-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.096486573033241 0.000000000000000 0.000000000000000 b -2.048243286516620 3.547661438508643 0.000000000000000 c 0.000000000000000 0.000000000000000 22.809413769999995Atomic positions (fractional): *1 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 1 2 Dy 0.66666666666667 0.33333333333333 0.33333333333333 162.500 > 1 3 Dy 0.33333333333333 0.66666666666667 0.66666666666667 162.500 > 1 *4 Tl 0.66666666666667 0.33333333333333 0.83333333333333 204.383 > 2 5 Tl 0.33333333333333 0.66666666666667 0.16666666666667 204.383 > 2 6 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 2 *7 Se 0.33333333333333 0.66666666666667 0.93054337402284 78.960 > 3 8 Se 0.00000000000000 0.00000000000000 0.73612329264383 78.960 > 4 9 Se 0.00000000000000 0.00000000000000 0.26387670735617 78.960 > 3 10 Se 0.66666666666667 0.33333333333333 0.06945662597716 78.960 > 4 11 Se 0.66666666666667 0.33333333333333 0.59721004068950 78.960 > 3 12 Se 0.33333333333333 0.66666666666667 0.40278995931050 78.960 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.289459719099723 0.000000000000000 0.000000000000000 b -6.144729859549861 10.642984315525929 0.000000000000000 c 0.000000000000000 0.000000000000000 22.809413769999995Atomic positions (fractional): *1 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 1 2 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 1 3 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 1 4 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 1 5 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 1 6 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 1 7 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 1 8 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 1 9 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 1 10 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 1 11 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 1 12 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 1 13 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 1 14 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 1 15 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 1 16 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 1 17 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 1 18 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 1 19 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 1 20 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 1 21 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 1 22 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 1 23 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 1 24 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 1 25 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 1 26 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 1 27 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 1 *28 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 2 29 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 2 30 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 2 31 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 2 32 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 2 33 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 2 34 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 2 35 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 2 36 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 2 37 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 2 38 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 2 39 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 2 40 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 2 41 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 2 42 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 2 43 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 2 44 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 2 45 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 2 46 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 2 47 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 2 48 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 2 49 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 2 50 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 2 51 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 2 52 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 2 53 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 2 54 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 2 *55 Se 0.11111111111111 0.22222222222222 0.93054337402284 78.960 > 3 56 Se 0.44444444444444 0.22222222222222 0.93054337402284 78.960 > 3 57 Se 0.77777777777778 0.22222222222222 0.93054337402284 78.960 > 3 58 Se 0.11111111111111 0.55555555555556 0.93054337402284 78.960 > 3 59 Se 0.44444444444444 0.55555555555556 0.93054337402284 78.960 > 3 60 Se 0.77777777777778 0.55555555555556 0.93054337402284 78.960 > 3 61 Se 0.11111111111111 0.88888888888889 0.93054337402284 78.960 > 3 62 Se 0.44444444444444 0.88888888888889 0.93054337402284 78.960 > 3 63 Se 0.77777777777778 0.88888888888889 0.93054337402284 78.960 > 3 64 Se 0.00000000000000 0.00000000000000 0.73612329264383 78.960 > 4 65 Se 0.33333333333333 0.00000000000000 0.73612329264383 78.960 > 4 66 Se 0.66666666666667 0.00000000000000 0.73612329264383 78.960 > 4 67 Se 0.00000000000000 0.33333333333333 0.73612329264383 78.960 > 4 68 Se 0.33333333333333 0.33333333333333 0.73612329264383 78.960 > 4 69 Se 0.66666666666667 0.33333333333333 0.73612329264383 78.960 > 4 70 Se 0.00000000000000 0.66666666666667 0.73612329264383 78.960 > 4 71 Se 0.33333333333333 0.66666666666667 0.73612329264383 78.960 > 4 72 Se 0.66666666666667 0.66666666666667 0.73612329264383 78.960 > 4 73 Se 0.00000000000000 0.00000000000000 0.26387670735617 78.960 > 3 74 Se 0.33333333333333 0.00000000000000 0.26387670735617 78.960 > 3 75 Se 0.66666666666667 0.00000000000000 0.26387670735617 78.960 > 3 76 Se 0.00000000000000 0.33333333333333 0.26387670735617 78.960 > 3 77 Se 0.33333333333333 0.33333333333333 0.26387670735617 78.960 > 3 78 Se 0.66666666666667 0.33333333333333 0.26387670735617 78.960 > 3 79 Se 0.00000000000000 0.66666666666667 0.26387670735617 78.960 > 3 80 Se 0.33333333333333 0.66666666666667 0.26387670735617 78.960 > 3 81 Se 0.66666666666667 0.66666666666667 0.26387670735617 78.960 > 3 82 Se 0.22222222222222 0.11111111111111 0.06945662597716 78.960 > 4 83 Se 0.55555555555556 0.11111111111111 0.06945662597716 78.960 > 4 84 Se 0.88888888888889 0.11111111111111 0.06945662597716 78.960 > 4 85 Se 0.22222222222222 0.44444444444444 0.06945662597716 78.960 > 4 86 Se 0.55555555555556 0.44444444444444 0.06945662597716 78.960 > 4 87 Se 0.88888888888889 0.44444444444444 0.06945662597716 78.960 > 4 88 Se 0.22222222222222 0.77777777777778 0.06945662597716 78.960 > 4 89 Se 0.55555555555556 0.77777777777778 0.06945662597716 78.960 > 4 90 Se 0.88888888888889 0.77777777777778 0.06945662597716 78.960 > 4 91 Se 0.22222222222222 0.11111111111111 0.59721004068950 78.960 > 3 92 Se 0.55555555555556 0.11111111111111 0.59721004068950 78.960 > 3 93 Se 0.88888888888889 0.11111111111111 0.59721004068950 78.960 > 3 94 Se 0.22222222222222 0.44444444444444 0.59721004068950 78.960 > 3 95 Se 0.55555555555556 0.44444444444444 0.59721004068950 78.960 > 3 96 Se 0.88888888888889 0.44444444444444 0.59721004068950 78.960 > 3 97 Se 0.22222222222222 0.77777777777778 0.59721004068950 78.960 > 3 98 Se 0.55555555555556 0.77777777777778 0.59721004068950 78.960 > 3 99 Se 0.88888888888889 0.77777777777778 0.59721004068950 78.960 > 3 100 Se 0.11111111111111 0.22222222222222 0.40278995931050 78.960 > 4 101 Se 0.44444444444444 0.22222222222222 0.40278995931050 78.960 > 4 102 Se 0.77777777777778 0.22222222222222 0.40278995931050 78.960 > 4 103 Se 0.11111111111111 0.55555555555556 0.40278995931050 78.960 > 4 104 Se 0.44444444444444 0.55555555555556 0.40278995931050 78.960 > 4 105 Se 0.77777777777778 0.55555555555556 0.40278995931050 78.960 > 4 106 Se 0.11111111111111 0.88888888888889 0.40278995931050 78.960 > 4 107 Se 0.44444444444444 0.88888888888889 0.40278995931050 78.960 > 4 108 Se 0.77777777777778 0.88888888888889 0.40278995931050 78.960 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.8868803 -0.0000000 0.0000000 0.0000000 8.8868803 0.0000000 0.0000000 0.0000000 9.3305735-------------------------- Born effective charges -------------------------- 1 Dy 4.4353928 -0.0000000 0.0000000 0.0000000 4.4353928 0.0000000 0.0000000 0.0000000 2.6698142 2 Tl 1.7387368 -0.0000000 0.0000000 0.0000000 1.7387368 0.0000000 0.0000000 0.0000000 3.2756487 3 Se -3.0870648 0.0000000 0.0000000 0.0000000 -3.0870648 0.0000000 0.0000000 0.0000000 -2.9727315 4 Se -3.0870648 0.0000000 0.0000000 0.0000000 -3.0870648 0.0000000 0.0000000 0.0000000 -2.9727315----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 214Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.126Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.133--------------------------------- 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: 214Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 17:54:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 17:54:53]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.048243286516623 1.182553812836213 7.603137923333324 b -2.048243286516618 1.182553812836213 7.603137923333324 c 0.000000000000002 -2.365107625672430 7.603137923333324Atomic positions (fractional): 1 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 3 Se 0.26387670735617 0.26387670735617 0.26387670735617 78.960 4 Se 0.73612329264383 0.73612329264383 0.73612329264383 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 12.289459719099723 0.000000000000000 0.000000000000000 b -6.144729859549861 10.642984315525929 0.000000000000000 c 0.000000000000000 0.000000000000000 22.809413769999995Atomic positions (fractional): 1 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 1 2 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 1 3 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 1 4 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 1 5 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 1 6 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 1 7 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 1 8 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 1 9 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 1 10 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 1 11 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 1 12 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 1 13 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 1 14 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 1 15 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 1 16 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 1 17 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 1 18 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 1 19 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 1 20 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 1 21 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 1 22 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 1 23 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 1 24 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 1 25 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 1 26 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 1 27 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 1 28 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 28 29 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 28 30 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 28 31 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 28 32 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 28 33 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 28 34 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 28 35 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 28 36 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 28 37 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 28 38 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 28 39 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 28 40 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 28 41 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 28 42 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 28 43 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 28 44 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 28 45 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 28 46 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 28 47 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 28 48 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 28 49 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 28 50 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 28 51 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 28 52 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 28 53 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 28 54 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 28 55 Se 0.11111111111111 0.22222222222222 0.93054337402284 78.960 > 55 56 Se 0.44444444444444 0.22222222222222 0.93054337402284 78.960 > 55 57 Se 0.77777777777778 0.22222222222222 0.93054337402284 78.960 > 55 58 Se 0.11111111111111 0.55555555555556 0.93054337402284 78.960 > 55 59 Se 0.44444444444444 0.55555555555556 0.93054337402284 78.960 > 55 60 Se 0.77777777777778 0.55555555555556 0.93054337402284 78.960 > 55 61 Se 0.11111111111111 0.88888888888889 0.93054337402284 78.960 > 55 62 Se 0.44444444444444 0.88888888888889 0.93054337402284 78.960 > 55 63 Se 0.77777777777778 0.88888888888889 0.93054337402284 78.960 > 55 64 Se 0.00000000000000 0.00000000000000 0.73612329264383 78.960 > 64 65 Se 0.33333333333333 0.00000000000000 0.73612329264383 78.960 > 64 66 Se 0.66666666666667 0.00000000000000 0.73612329264383 78.960 > 64 67 Se 0.00000000000000 0.33333333333333 0.73612329264383 78.960 > 64 68 Se 0.33333333333333 0.33333333333333 0.73612329264383 78.960 > 64 69 Se 0.66666666666667 0.33333333333333 0.73612329264383 78.960 > 64 70 Se 0.00000000000000 0.66666666666667 0.73612329264383 78.960 > 64 71 Se 0.33333333333333 0.66666666666667 0.73612329264383 78.960 > 64 72 Se 0.66666666666667 0.66666666666667 0.73612329264383 78.960 > 64 73 Se 0.00000000000000 0.00000000000000 0.26387670735617 78.960 > 55 74 Se 0.33333333333333 0.00000000000000 0.26387670735617 78.960 > 55 75 Se 0.66666666666667 0.00000000000000 0.26387670735617 78.960 > 55 76 Se 0.00000000000000 0.33333333333333 0.26387670735617 78.960 > 55 77 Se 0.33333333333333 0.33333333333333 0.26387670735617 78.960 > 55 78 Se 0.66666666666667 0.33333333333333 0.26387670735617 78.960 > 55 79 Se 0.00000000000000 0.66666666666667 0.26387670735617 78.960 > 55 80 Se 0.33333333333333 0.66666666666667 0.26387670735617 78.960 > 55 81 Se 0.66666666666667 0.66666666666667 0.26387670735617 78.960 > 55 82 Se 0.22222222222222 0.11111111111111 0.06945662597716 78.960 > 64 83 Se 0.55555555555556 0.11111111111111 0.06945662597716 78.960 > 64 84 Se 0.88888888888889 0.11111111111111 0.06945662597716 78.960 > 64 85 Se 0.22222222222222 0.44444444444444 0.06945662597716 78.960 > 64 86 Se 0.55555555555556 0.44444444444444 0.06945662597716 78.960 > 64 87 Se 0.88888888888889 0.44444444444444 0.06945662597716 78.960 > 64 88 Se 0.22222222222222 0.77777777777778 0.06945662597716 78.960 > 64 89 Se 0.55555555555556 0.77777777777778 0.06945662597716 78.960 > 64 90 Se 0.88888888888889 0.77777777777778 0.06945662597716 78.960 > 64 91 Se 0.22222222222222 0.11111111111111 0.59721004068950 78.960 > 55 92 Se 0.55555555555556 0.11111111111111 0.59721004068950 78.960 > 55 93 Se 0.88888888888889 0.11111111111111 0.59721004068950 78.960 > 55 94 Se 0.22222222222222 0.44444444444444 0.59721004068950 78.960 > 55 95 Se 0.55555555555556 0.44444444444444 0.59721004068950 78.960 > 55 96 Se 0.88888888888889 0.44444444444444 0.59721004068950 78.960 > 55 97 Se 0.22222222222222 0.77777777777778 0.59721004068950 78.960 > 55 98 Se 0.55555555555556 0.77777777777778 0.59721004068950 78.960 > 55 99 Se 0.88888888888889 0.77777777777778 0.59721004068950 78.960 > 55 100 Se 0.11111111111111 0.22222222222222 0.40278995931050 78.960 > 64 101 Se 0.44444444444444 0.22222222222222 0.40278995931050 78.960 > 64 102 Se 0.77777777777778 0.22222222222222 0.40278995931050 78.960 > 64 103 Se 0.11111111111111 0.55555555555556 0.40278995931050 78.960 > 64 104 Se 0.44444444444444 0.55555555555556 0.40278995931050 78.960 > 64 105 Se 0.77777777777778 0.55555555555556 0.40278995931050 78.960 > 64 106 Se 0.11111111111111 0.88888888888889 0.40278995931050 78.960 > 64 107 Se 0.44444444444444 0.88888888888889 0.40278995931050 78.960 > 64 108 Se 0.77777777777778 0.88888888888889 0.40278995931050 78.960 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.8868803 -0.0000000 0.0000000 0.0000000 8.8868803 0.0000000 0.0000000 0.0000000 9.3305735-------------------------- Born effective charges -------------------------- 1 Dy 4.4353928 -0.0000000 0.0000000 0.0000000 4.4353928 0.0000000 0.0000000 0.0000000 2.6698142 2 Tl 1.7387368 -0.0000000 0.0000000 0.0000000 1.7387368 0.0000000 0.0000000 0.0000000 3.2756487 3 Se -3.0870648 0.0000000 0.0000000 0.0000000 -3.0870648 0.0000000 0.0000000 0.0000000 -2.9727315 4 Se -3.0870648 0.0000000 0.0000000 0.0000000 -3.0870648 0.0000000 0.0000000 0.0000000 -2.9727315----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (xxz) 0.00000000 (xxz) 0.00000000 (xzx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 17:54:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 17:54:58]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.048243286516623 1.182553812836213 7.603137923333324 b -2.048243286516618 1.182553812836213 7.603137923333324 c 0.000000000000002 -2.365107625672430 7.603137923333324Atomic positions (fractional): 1 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 3 Se 0.26387670735617 0.26387670735617 0.26387670735617 78.960 4 Se 0.73612329264383 0.73612329264383 0.73612329264383 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 12.289459719099723 0.000000000000000 0.000000000000000 b -6.144729859549861 10.642984315525929 0.000000000000000 c 0.000000000000000 0.000000000000000 22.809413769999995Atomic positions (fractional): 1 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 1 2 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 1 3 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 1 4 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 1 5 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 1 6 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 1 7 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 1 8 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 1 9 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 1 10 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 1 11 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 1 12 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 1 13 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 1 14 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 1 15 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 1 16 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 1 17 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 1 18 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 1 19 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 1 20 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 1 21 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 1 22 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 1 23 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 1 24 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 1 25 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 1 26 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 1 27 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 1 28 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 28 29 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 28 30 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 28 31 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 28 32 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 28 33 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 28 34 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 28 35 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 28 36 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 28 37 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 28 38 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 28 39 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 28 40 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 28 41 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 28 42 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 28 43 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 28 44 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 28 45 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 28 46 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 28 47 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 28 48 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 28 49 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 28 50 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 28 51 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 28 52 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 28 53 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 28 54 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 28 55 Se 0.11111111111111 0.22222222222222 0.93054337402284 78.960 > 55 56 Se 0.44444444444444 0.22222222222222 0.93054337402284 78.960 > 55 57 Se 0.77777777777778 0.22222222222222 0.93054337402284 78.960 > 55 58 Se 0.11111111111111 0.55555555555556 0.93054337402284 78.960 > 55 59 Se 0.44444444444444 0.55555555555556 0.93054337402284 78.960 > 55 60 Se 0.77777777777778 0.55555555555556 0.93054337402284 78.960 > 55 61 Se 0.11111111111111 0.88888888888889 0.93054337402284 78.960 > 55 62 Se 0.44444444444444 0.88888888888889 0.93054337402284 78.960 > 55 63 Se 0.77777777777778 0.88888888888889 0.93054337402284 78.960 > 55 64 Se 0.00000000000000 0.00000000000000 0.73612329264383 78.960 > 64 65 Se 0.33333333333333 0.00000000000000 0.73612329264383 78.960 > 64 66 Se 0.66666666666667 0.00000000000000 0.73612329264383 78.960 > 64 67 Se 0.00000000000000 0.33333333333333 0.73612329264383 78.960 > 64 68 Se 0.33333333333333 0.33333333333333 0.73612329264383 78.960 > 64 69 Se 0.66666666666667 0.33333333333333 0.73612329264383 78.960 > 64 70 Se 0.00000000000000 0.66666666666667 0.73612329264383 78.960 > 64 71 Se 0.33333333333333 0.66666666666667 0.73612329264383 78.960 > 64 72 Se 0.66666666666667 0.66666666666667 0.73612329264383 78.960 > 64 73 Se 0.00000000000000 0.00000000000000 0.26387670735617 78.960 > 55 74 Se 0.33333333333333 0.00000000000000 0.26387670735617 78.960 > 55 75 Se 0.66666666666667 0.00000000000000 0.26387670735617 78.960 > 55 76 Se 0.00000000000000 0.33333333333333 0.26387670735617 78.960 > 55 77 Se 0.33333333333333 0.33333333333333 0.26387670735617 78.960 > 55 78 Se 0.66666666666667 0.33333333333333 0.26387670735617 78.960 > 55 79 Se 0.00000000000000 0.66666666666667 0.26387670735617 78.960 > 55 80 Se 0.33333333333333 0.66666666666667 0.26387670735617 78.960 > 55 81 Se 0.66666666666667 0.66666666666667 0.26387670735617 78.960 > 55 82 Se 0.22222222222222 0.11111111111111 0.06945662597716 78.960 > 64 83 Se 0.55555555555556 0.11111111111111 0.06945662597716 78.960 > 64 84 Se 0.88888888888889 0.11111111111111 0.06945662597716 78.960 > 64 85 Se 0.22222222222222 0.44444444444444 0.06945662597716 78.960 > 64 86 Se 0.55555555555556 0.44444444444444 0.06945662597716 78.960 > 64 87 Se 0.88888888888889 0.44444444444444 0.06945662597716 78.960 > 64 88 Se 0.22222222222222 0.77777777777778 0.06945662597716 78.960 > 64 89 Se 0.55555555555556 0.77777777777778 0.06945662597716 78.960 > 64 90 Se 0.88888888888889 0.77777777777778 0.06945662597716 78.960 > 64 91 Se 0.22222222222222 0.11111111111111 0.59721004068950 78.960 > 55 92 Se 0.55555555555556 0.11111111111111 0.59721004068950 78.960 > 55 93 Se 0.88888888888889 0.11111111111111 0.59721004068950 78.960 > 55 94 Se 0.22222222222222 0.44444444444444 0.59721004068950 78.960 > 55 95 Se 0.55555555555556 0.44444444444444 0.59721004068950 78.960 > 55 96 Se 0.88888888888889 0.44444444444444 0.59721004068950 78.960 > 55 97 Se 0.22222222222222 0.77777777777778 0.59721004068950 78.960 > 55 98 Se 0.55555555555556 0.77777777777778 0.59721004068950 78.960 > 55 99 Se 0.88888888888889 0.77777777777778 0.59721004068950 78.960 > 55 100 Se 0.11111111111111 0.22222222222222 0.40278995931050 78.960 > 64 101 Se 0.44444444444444 0.22222222222222 0.40278995931050 78.960 > 64 102 Se 0.77777777777778 0.22222222222222 0.40278995931050 78.960 > 64 103 Se 0.11111111111111 0.55555555555556 0.40278995931050 78.960 > 64 104 Se 0.44444444444444 0.55555555555556 0.40278995931050 78.960 > 64 105 Se 0.77777777777778 0.55555555555556 0.40278995931050 78.960 > 64 106 Se 0.11111111111111 0.88888888888889 0.40278995931050 78.960 > 64 107 Se 0.44444444444444 0.88888888888889 0.40278995931050 78.960 > 64 108 Se 0.77777777777778 0.88888888888889 0.40278995931050 78.960 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.8868803 -0.0000000 0.0000000 0.0000000 8.8868803 0.0000000 0.0000000 0.0000000 9.3305735-------------------------- Born effective charges -------------------------- 1 Dy 4.4353928 -0.0000000 0.0000000 0.0000000 4.4353928 0.0000000 0.0000000 0.0000000 2.6698142 2 Tl 1.7387368 -0.0000000 0.0000000 0.0000000 1.7387368 0.0000000 0.0000000 0.0000000 3.2756487 3 Se -3.0870648 0.0000000 0.0000000 0.0000000 -3.0870648 0.0000000 0.0000000 0.0000000 -2.9727315 4 Se -3.0870648 0.0000000 0.0000000 0.0000000 -3.0870648 0.0000000 0.0000000 0.0000000 -2.9727315----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xxz) 0.00000000 (xxz) 0.00000000 (xzx)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.87, Number of G-points: 313, Lambda: 0.27Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.275 ( 13.421 7.749 -9.599) 18.229 0.313 ( 14.998 8.659 -14.151) 22.365 0.673 ( 24.783 14.309 17.290) 33.435 1.357 ( 1.247 0.720 0.011) 1.440 1.455 ( 4.540 2.621 -1.625) 5.489 2.081 ( -0.476 -0.275 7.272) 7.292 3.692 ( 0.738 0.426 -0.136) 0.863 3.911 ( -0.753 -0.435 0.509) 1.007 3.934 ( 1.307 0.754 -0.660) 1.647 4.767 ( -1.162 -0.671 -16.595) 16.649 4.832 ( -2.876 -1.660 6.060) 6.910 5.495 ( -2.590 -1.495 1.590) 3.387======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.563 ( 13.446 7.763 -7.629) 17.299 0.601 ( 13.312 7.686 -13.296) 20.324 1.175 ( 12.333 7.121 9.858) 17.320 1.405 ( 2.971 1.715 -0.004) 3.430 1.663 ( 15.071 8.701 1.596) 17.476 2.091 ( 0.203 0.117 0.732) 0.768 3.715 ( 1.283 0.741 -0.416) 1.538 3.891 ( -1.117 -0.645 0.904) 1.576 3.979 ( 2.691 1.554 0.018) 3.107 4.686 ( -2.620 -1.512 -7.233) 7.840 4.727 ( -8.093 -4.672 9.396) 13.252 5.420 ( -3.144 -1.815 -6.156) 7.147======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( 11.002 6.352 -5.345) 13.782 0.843 ( 10.908 6.298 -12.272) 17.585 1.333 ( 1.974 1.140 1.363) 2.656 1.506 ( 6.074 3.507 -0.195) 7.016 2.075 ( 6.420 3.706 -2.578) 7.848 2.133 ( 14.205 8.202 4.399) 16.983 3.746 ( 1.411 0.814 -0.756) 1.796 3.870 ( -0.855 -0.494 1.083) 1.465 4.057 ( 3.672 2.120 1.622) 4.540 4.497 ( -12.608 -7.279 6.750) 16.047 4.629 ( -1.865 -1.076 -1.861) 2.846 5.315 ( -3.791 -2.189 -8.313) 9.395======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( 6.249 3.608 -3.178) 7.885 1.034 ( 8.808 5.085 -10.606) 14.695 1.332 ( -1.145 -0.661 -2.496) 2.824 1.690 ( 9.489 5.478 -0.668) 10.977 2.094 ( 0.070 0.040 0.468) 0.474 2.566 ( 17.012 9.822 0.395) 19.647 3.772 ( 1.001 0.578 -0.635) 1.319 3.862 ( -0.053 -0.030 0.735) 0.737 4.127 ( -1.881 -1.086 -1.553) 2.670 4.211 ( -9.422 -5.440 6.480) 12.663 4.603 ( -0.081 -0.047 0.439) 0.449 5.195 ( -4.300 -2.483 -7.445) 8.949======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( 2.887 1.667 -1.626) 3.709 1.177 ( 4.190 2.419 -5.816) 7.565 1.314 ( 2.884 1.665 -4.690) 5.752 1.914 ( 9.264 5.348 -0.902) 10.735 2.080 ( -2.218 -1.281 3.359) 4.224 2.898 ( 11.600 6.697 -1.755) 13.508 3.789 ( 0.514 0.297 0.046) 0.595 3.852 ( -12.646 -7.301 -3.417) 14.997 3.870 ( 0.532 0.307 -0.047) 0.616 4.218 ( 0.826 0.477 2.690) 2.854 4.636 ( 2.668 1.540 1.854) 3.595 5.074 ( -4.410 -2.546 -4.890) 7.060======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 1.162 0.671 -0.669) 1.500 1.176 ( -1.103 -0.637 -1.812) 2.215 1.474 ( 9.620 5.554 -3.826) 11.749 1.997 ( -5.881 -3.395 3.875) 7.818 2.087 ( 5.472 3.160 -0.637) 6.351 3.093 ( 5.675 3.276 -1.384) 6.697 3.597 ( -7.572 -4.372 -3.949) 9.594 3.798 ( 0.259 0.149 0.318) 0.436 3.881 ( 0.433 0.250 -0.315) 0.590 4.227 ( -0.267 -0.154 0.764) 0.824 4.727 ( 4.337 2.504 1.420) 5.206 4.961 ( -4.325 -2.497 -2.071) 5.406======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 0.000 0.000 0.000) 0.000 1.170 ( 0.000 0.000 0.000) 0.000 1.627 ( -0.000 -0.000 0.000) 0.000 1.891 ( 0.000 0.000 -0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 -0.000) 0.000 3.499 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 -0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.812 ( -0.000 -0.000 -0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.399 ( 0.000 14.526 15.276) 21.080 0.426 ( -0.000 20.328 -0.046) 20.329 0.588 ( 0.000 25.666 7.966) 26.874 1.353 ( -0.000 1.345 -0.864) 1.599 1.450 ( -0.000 5.768 -2.326) 6.220 2.115 ( 0.000 -3.999 13.151) 13.745 3.695 ( 0.000 0.977 0.531) 1.112 3.904 ( -0.000 -1.165 -1.035) 1.558 3.937 ( 0.000 1.614 0.095) 1.617 4.672 ( -0.000 1.817 -27.176) 27.237 4.842 ( 0.000 -1.509 2.609) 3.014 5.533 ( 0.000 -4.263 7.316) 8.467======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.417 ( -4.355 13.443 11.159) 18.006 0.694 ( 2.825 21.857 -10.027) 24.212 1.058 ( 15.059 12.575 12.143) 23.073 1.388 ( 1.941 2.717 -0.417) 3.365 1.572 ( 6.848 10.727 -0.630) 12.742 2.103 ( -0.967 -0.863 3.556) 3.785 3.707 ( 0.145 0.991 0.368) 1.067 3.890 ( 0.185 -1.458 -0.621) 1.596 3.966 ( 1.130 2.406 0.078) 2.659 4.630 ( 2.092 -3.456 -12.878) 13.497 4.804 ( -2.945 -4.906 5.794) 8.144 5.456 ( -4.848 -2.383 -1.352) 5.569======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( 7.588 7.783 2.150) 11.080 0.911 ( 2.685 17.236 -8.737) 19.510 1.301 ( 3.932 1.873 2.567) 5.055 1.477 ( 3.381 5.677 0.389) 6.619 1.934 ( 15.620 15.674 1.305) 22.166 2.095 ( 0.594 0.584 0.270) 0.876 3.725 ( 0.924 0.449 0.279) 1.064 3.878 ( -0.055 -0.768 0.111) 0.778 4.029 ( 2.768 2.889 0.987) 4.121 4.587 ( 0.391 -4.276 -5.112) 6.676 4.666 ( -8.183 -6.342 6.744) 12.356 5.330 ( -4.754 -2.798 -6.919) 8.849======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.805 ( 9.976 4.047 -2.825) 11.130 1.071 ( 1.828 11.234 -6.179) 12.951 1.331 ( -0.171 -0.705 -1.947) 2.077 1.628 ( 5.888 8.579 -0.298) 10.409 2.077 ( 1.117 -0.130 -1.476) 1.855 2.406 ( 15.477 14.343 1.606) 21.162 3.746 ( 1.194 -0.255 -0.039) 1.222 3.877 ( -0.246 0.898 0.377) 1.004 4.113 ( 2.692 1.989 1.218) 3.562 4.406 ( -13.471 -5.029 4.915) 15.196 4.575 ( 1.284 -3.286 -1.275) 3.751 5.198 ( -3.611 -4.285 -7.871) 9.661======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.990 ( 8.728 2.055 -3.896) 9.776 1.167 ( 1.069 5.888 -3.666) 7.018 1.302 ( -0.618 0.276 -3.598) 3.661 1.838 ( 7.258 8.772 -0.574) 11.400 2.092 ( 0.690 -0.369 1.500) 1.692 2.774 ( 11.791 10.600 -0.963) 15.884 3.753 ( 0.517 -1.970 -1.113) 2.321 3.886 ( -0.914 2.045 0.491) 2.293 4.055 ( -11.819 -1.348 -1.862) 12.040 4.233 ( -1.957 0.849 4.078) 4.602 4.590 ( 3.387 -1.309 0.578) 3.677 5.073 ( -2.536 -5.318 -5.817) 8.279======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( 4.499 0.966 -2.490) 5.232 1.183 ( -1.035 -0.132 -1.560) 1.876 1.364 ( 6.233 5.049 -3.275) 8.664 1.986 ( 1.986 -1.265 1.870) 3.007 2.124 ( 0.573 7.403 0.399) 7.436 3.019 ( 7.190 5.824 -1.092) 9.317 3.668 ( -5.976 -4.810 -3.910) 8.610 3.851 ( -4.430 2.251 2.089) 5.391 3.928 ( -3.111 5.168 -1.413) 6.195 4.232 ( -0.440 -0.335 0.923) 1.076 4.665 ( 5.024 0.441 0.944) 5.131 4.967 ( -1.973 -5.412 -2.724) 6.372======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( 0.512 -0.264 -1.628) 1.727 1.170 ( 0.156 0.621 -0.040) 0.641 1.535 ( 7.883 1.667 -2.253) 8.367 1.921 ( -3.741 -4.166 2.140) 5.994 2.219 ( -1.551 9.137 -0.745) 9.298 3.139 ( 2.646 1.493 0.121) 3.040 3.531 ( -3.570 -0.322 -0.877) 3.690 3.833 ( -1.943 2.517 1.171) 3.388 3.934 ( -2.377 5.013 -0.540) 5.574 4.221 ( -0.095 -0.714 -0.152) 0.736 4.766 ( 5.357 0.757 0.284) 5.418 4.873 ( -2.253 -5.155 -0.874) 5.693======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 1.318 0.276 0.308) 1.381 1.170 ( -0.826 -0.084 0.386) 0.916 1.548 ( -3.808 -6.143 0.320) 7.235 1.900 ( 3.962 0.740 -2.219) 4.601 2.221 ( -6.831 6.053 -0.178) 9.128 3.144 ( -2.257 -1.475 1.191) 2.948 3.556 ( 3.407 3.979 4.431) 6.861 3.828 ( -1.740 2.394 0.146) 2.963 3.938 ( -2.853 4.885 0.250) 5.663 4.219 ( 0.503 -0.321 -0.640) 0.875 4.761 ( -3.805 -4.089 -0.842) 5.649 4.879 ( 6.394 -0.657 0.543) 6.450======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( -2.467 -2.675 1.697) 4.016 1.199 ( 1.559 0.402 1.790) 2.408 1.396 ( -5.970 -3.633 3.327) 7.740 1.962 ( 2.211 -2.099 -3.064) 4.322 2.119 ( -8.468 3.212 -0.726) 9.086 3.034 ( -8.431 -3.426 2.091) 9.338 3.716 ( 6.124 2.869 6.176) 9.159 3.833 ( 0.061 4.294 -1.613) 4.587 3.941 ( -2.450 5.977 1.434) 6.617 4.219 ( -0.170 -0.048 -1.778) 1.786 4.650 ( -3.122 -3.982 -2.207) 5.521 4.995 ( 7.002 -0.751 2.989) 7.650======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( -4.977 -7.160 4.389) 9.762 1.199 ( -3.553 0.706 3.063) 4.744 1.339 ( -0.587 0.643 4.102) 4.194 1.843 ( -10.787 -2.097 0.561) 11.004 2.073 ( 0.855 -0.094 -2.495) 2.639 2.785 ( -15.848 -5.196 1.306) 16.729 3.767 ( 0.063 -1.416 1.923) 2.389 3.878 ( -0.935 2.023 -1.300) 2.581 4.079 ( 7.043 9.478 3.005) 12.185 4.193 ( -1.632 1.368 -4.302) 4.800 4.579 ( 0.129 -3.023 -1.722) 3.482 5.126 ( 7.190 -0.456 5.212) 8.891======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( -7.851 -10.003 5.710) 13.939 1.125 ( -8.335 2.796 5.122) 10.175 1.348 ( -0.983 -0.279 1.542) 1.850 1.632 ( -10.654 -1.034 0.549) 10.718 2.086 ( 1.043 -0.496 0.184) 1.170 2.393 ( -21.934 -6.334 -1.184) 22.861 3.749 ( -0.523 -1.689 0.611) 1.871 3.870 ( -0.666 1.005 -1.120) 1.646 4.100 ( -3.599 -1.253 -1.387) 4.056 4.366 ( 9.716 9.700 -3.471) 14.162 4.582 ( 3.144 -2.099 0.369) 3.799 5.263 ( 6.470 0.128 5.748) 8.656======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( -10.352 -9.499 4.855) 14.865 0.989 ( -13.844 4.340 7.077) 16.143 1.273 ( -7.035 -2.510 -2.918) 8.020 1.474 ( -6.607 -0.380 -0.135) 6.619 1.920 ( -22.918 -5.003 -1.632) 23.515 2.096 ( -0.111 -0.141 0.266) 0.321 3.725 ( -0.709 -1.097 0.220) 1.325 3.874 ( 0.703 0.362 -0.709) 1.062 4.022 ( -3.570 -0.612 -0.463) 3.651 4.592 ( 8.660 5.441 -5.885) 11.800 4.641 ( 4.869 -1.554 3.356) 6.114 5.383 ( 4.962 0.523 3.948) 6.362======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.359 ( -11.129 0.000 0.000) 11.129 0.756 ( -18.440 0.000 0.000) 18.440 0.986 ( -22.089 0.000 0.000) 22.089 1.390 ( -3.091 0.000 0.000) 3.091 1.575 ( -11.981 0.000 0.000) 11.981 2.085 ( -1.024 0.000 0.000) 1.024 3.706 ( -0.918 0.000 0.000) 0.918 3.893 ( 1.221 -0.000 -0.000) 1.221 3.965 ( -2.526 0.000 0.000) 2.526 4.734 ( 5.154 -0.000 -0.000) 5.154 4.735 ( 6.293 -0.000 -0.000) 6.293 5.463 ( 3.039 -0.000 -0.000) 3.039======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( 0.000 12.385 11.609) 16.975 0.802 ( -0.000 16.693 0.131) 16.693 1.085 ( 0.000 17.004 7.388) 18.539 1.394 ( -0.000 3.737 -1.174) 3.917 1.637 ( -0.000 15.367 -1.140) 15.409 2.112 ( 0.000 -1.313 2.405) 2.741 3.727 ( 0.000 1.680 0.681) 1.812 3.866 ( -0.000 -1.600 -1.532) 2.215 3.978 ( -0.000 2.241 -0.280) 2.259 4.522 ( -0.000 -4.297 -11.091) 11.895 4.787 ( 0.000 -5.968 3.827) 7.090 5.477 ( -0.000 -3.344 -0.613) 3.400======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( -8.488 13.034 11.280) 19.214 1.012 ( 2.227 13.786 -4.503) 14.673 1.275 ( 2.772 4.963 3.065) 6.458 1.481 ( 3.731 6.608 0.810) 7.632 1.901 ( 8.771 20.810 -0.092) 22.584 2.097 ( -0.380 -0.412 -0.320) 0.645 3.738 ( -0.715 1.658 1.140) 2.135 3.853 ( 0.910 -1.443 -1.471) 2.252 4.020 ( 2.067 2.675 0.166) 3.385 4.477 ( 2.950 -5.677 -5.655) 8.538 4.707 ( -2.820 -7.376 3.393) 8.594 5.385 ( -5.495 -3.082 -3.482) 7.199======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.831 ( -2.445 10.943 7.210) 13.331 1.139 ( 0.817 9.156 -3.850) 9.966 1.320 ( 0.048 0.687 -2.234) 2.337 1.634 ( 4.420 9.402 0.364) 10.396 2.056 ( 0.290 -0.111 -2.295) 2.316 2.332 ( 12.235 18.647 1.129) 22.331 3.746 ( -0.596 1.129 1.432) 1.919 3.867 ( 2.068 0.137 -1.108) 2.350 4.094 ( 2.561 2.651 1.125) 3.854 4.460 ( 2.870 -5.715 -2.240) 6.776 4.563 ( -6.305 -6.462 2.509) 9.371 5.223 ( -6.825 -3.899 -5.671) 9.692======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.938 ( 1.805 7.790 2.746) 8.455 1.204 ( -0.138 3.906 -1.605) 4.225 1.305 ( -0.532 1.133 -4.445) 4.618 1.822 ( 5.364 9.569 -0.075) 10.970 2.071 ( 1.916 0.657 0.713) 2.148 2.702 ( 10.351 14.366 -0.974) 17.733 3.744 ( -0.849 0.122 -0.133) 0.868 3.911 ( 1.342 2.416 -1.145) 2.991 4.137 ( -0.802 -0.079 0.133) 0.816 4.363 ( -8.504 -1.589 2.144) 8.913 4.494 ( 4.472 -3.675 -0.012) 5.789 5.052 ( -4.707 -5.793 -5.497) 9.270======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( 3.339 5.185 0.536) 6.190 1.196 ( -1.243 -0.765 -0.845) 1.687 1.337 ( 2.204 4.453 -2.295) 5.473 1.952 ( 2.100 0.196 1.862) 2.814 2.172 ( 3.792 9.643 0.451) 10.372 2.964 ( 6.792 8.523 -1.112) 10.955 3.702 ( -3.376 -1.021 -3.291) 4.824 3.938 ( -1.543 2.658 -0.559) 3.124 4.061 ( -5.343 1.523 -0.744) 5.606 4.263 ( -3.863 0.795 1.267) 4.142 4.569 ( 5.831 -0.962 0.824) 5.967 4.920 ( -1.504 -6.770 -3.056) 7.579======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( 0.850 1.592 -1.484) 2.337 1.176 ( 0.009 0.678 0.406) 0.791 1.439 ( 4.846 2.808 -0.091) 5.601 1.935 ( -1.701 -3.604 2.434) 4.670 2.342 ( 0.870 13.101 -0.869) 13.159 3.107 ( 3.391 2.975 0.267) 4.519 3.599 ( -4.925 0.199 -3.376) 5.974 3.914 ( -3.162 2.582 1.669) 4.410 4.044 ( -2.114 6.232 -1.083) 6.670 4.216 ( -1.710 -1.234 0.011) 2.108 4.663 ( 5.670 -0.872 -0.677) 5.776 4.839 ( -0.359 -5.791 -0.282) 5.809======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 0.818 0.145 -0.801) 1.154 1.190 ( -0.726 1.286 0.498) 1.559 1.505 ( 1.527 -3.167 -0.835) 3.614 1.879 ( -1.140 -0.996 0.375) 1.560 2.421 ( -5.891 10.767 -1.007) 12.314 3.153 ( 0.375 -0.444 1.330) 1.452 3.574 ( 0.612 4.066 1.779) 4.480 3.898 ( -2.527 2.825 1.193) 3.973 4.068 ( -3.893 8.236 0.050) 9.110 4.188 ( 1.271 -2.672 -0.596) 3.019 4.732 ( 3.971 -5.103 -1.728) 6.693 4.783 ( 0.215 -1.965 0.691) 2.094======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( -1.655 -0.234 -0.257) 1.691 1.172 ( 0.936 -0.286 1.752) 2.007 1.437 ( -2.815 -4.174 -0.430) 5.053 1.888 ( 2.307 -0.306 -2.164) 3.177 2.344 ( -11.442 5.456 -0.519) 12.687 3.122 ( -3.688 -1.432 1.709) 4.310 3.694 ( 4.293 5.727 5.750) 9.180 3.890 ( -1.833 3.681 -0.487) 4.141 4.069 ( -4.266 6.413 1.533) 7.853 4.202 ( 1.781 -0.030 -1.265) 2.185 4.651 ( -2.983 -5.861 -1.987) 6.870 4.852 ( 7.158 -2.282 1.005) 7.580======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( -5.312 -3.532 2.284) 6.776 1.212 ( 1.676 0.175 0.792) 1.862 1.376 ( -1.407 -0.382 1.628) 2.186 1.909 ( 1.065 -1.345 -2.261) 2.839 2.163 ( -11.633 1.485 -0.458) 11.736 2.990 ( -10.541 -1.934 1.469) 10.817 3.780 ( -0.814 0.650 4.305) 4.429 3.927 ( -0.660 5.262 -1.486) 5.507 4.093 ( 1.359 4.192 2.469) 5.051 4.228 ( -0.367 4.476 -2.004) 4.918 4.539 ( -1.555 -5.655 -2.312) 6.304 4.977 ( 9.087 -2.274 2.547) 9.707======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( -7.894 -3.668 2.314) 9.007 1.222 ( -1.275 0.378 0.621) 1.467 1.372 ( -0.613 0.466 1.924) 2.072 1.824 ( -9.971 -0.363 0.092) 9.978 2.056 ( -0.047 -0.312 -0.880) 0.935 2.716 ( -18.794 -1.936 0.448) 18.899 3.758 ( -1.779 -0.571 1.176) 2.208 3.912 ( -3.150 1.528 -0.870) 3.607 4.134 ( -1.040 -0.619 -0.098) 1.215 4.331 ( 4.660 9.248 -0.975) 10.402 4.490 ( 2.779 -5.179 -0.574) 5.906 5.131 ( 9.205 -0.968 2.412) 9.565======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( -10.485 0.000 0.000) 10.485 1.174 ( -5.238 0.000 0.000) 5.238 1.349 ( -3.040 0.000 0.000) 3.040 1.629 ( -10.837 0.000 0.000) 10.837 2.081 ( 1.769 -0.000 -0.000) 1.769 2.320 ( -24.441 0.000 0.000) 24.441 3.731 ( -0.911 0.000 0.000) 0.911 3.878 ( -1.145 0.000 0.000) 1.145 4.083 ( -3.623 0.000 0.000) 3.623 4.492 ( 6.623 -0.000 -0.000) 6.623 4.530 ( 5.669 -0.000 -0.000) 5.669 5.280 ( 7.568 -0.000 -0.000) 7.568======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( 0.000 6.542 5.207) 8.361 1.088 ( -0.000 11.460 0.012) 11.460 1.335 ( 0.000 5.487 4.393) 7.029 1.512 ( 0.000 8.611 0.106) 8.612 2.045 ( -0.000 16.219 -1.884) 16.328 2.100 ( -0.000 7.024 -0.065) 7.024 3.764 ( 0.000 1.377 0.295) 1.408 3.833 ( -0.000 -0.432 -1.087) 1.170 4.014 ( -0.000 1.558 -0.948) 1.824 4.380 ( -0.000 -5.490 -1.407) 5.667 4.658 ( 0.000 -7.809 0.708) 7.841 5.394 ( -0.000 -3.743 -3.110) 4.866======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( -4.208 6.555 4.711) 9.103 1.195 ( 0.563 6.792 -0.660) 6.847 1.354 ( -2.509 2.643 -0.779) 3.727 1.656 ( 4.173 9.943 0.741) 10.808 2.044 ( -0.240 -1.759 -2.360) 2.953 2.380 ( 6.167 23.179 0.356) 23.988 3.790 ( -0.182 2.431 1.892) 3.086 3.817 ( 0.745 -0.872 -2.128) 2.418 4.067 ( 3.721 1.828 -0.231) 4.152 4.345 ( 2.015 -5.724 1.112) 6.169 4.564 ( -1.933 -7.090 -1.108) 7.432 5.290 ( -5.773 -4.082 -3.781) 8.018======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( -2.299 6.489 3.905) 7.915 1.236 ( -1.040 1.701 0.488) 2.053 1.328 ( -1.555 2.744 -4.452) 5.456 1.832 ( 4.149 8.430 0.338) 9.402 2.046 ( 2.453 0.990 0.608) 2.714 2.707 ( 6.866 17.830 -1.028) 19.134 3.779 ( -1.976 1.543 -0.100) 2.509 3.871 ( 3.897 0.823 -1.535) 4.269 4.141 ( 1.433 1.286 0.689) 2.045 4.346 ( 4.541 -5.112 1.550) 7.011 4.456 ( -2.962 -3.860 -1.345) 5.048 5.104 ( -8.340 -4.841 -3.998) 10.439======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 0.036 6.352 3.602) 7.302 1.205 ( -1.733 -1.380 -0.349) 2.242 1.346 ( 0.813 3.693 -2.060) 4.306 1.926 ( 1.632 -0.071 2.007) 2.588 2.191 ( 6.292 10.562 1.115) 12.344 2.953 ( 4.932 11.003 -1.358) 12.134 3.752 ( -3.001 1.636 -2.528) 4.252 3.931 ( 3.222 0.268 -3.587) 4.829 4.117 ( -3.293 -1.716 0.436) 3.739 4.363 ( -2.650 1.008 -0.197) 2.842 4.452 ( 6.362 -1.169 2.597) 6.970 4.905 ( -6.157 -5.851 -3.237) 9.089======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -1.793 0.391 0.066) 1.837 1.189 ( 0.782 3.838 2.107) 4.448 1.408 ( 2.506 2.373 1.029) 3.601 1.929 ( -0.266 -2.295 2.600) 3.478 2.429 ( 5.266 14.106 0.414) 15.063 3.090 ( 2.389 4.317 -0.403) 4.950 3.683 ( -5.045 1.674 -4.825) 7.179 3.967 ( 1.382 0.630 -3.490) 3.806 4.050 ( -0.673 -2.564 0.987) 2.828 4.320 ( -5.715 4.321 1.538) 7.328 4.562 ( 5.402 -0.477 0.775) 5.478 4.779 ( -0.605 -5.487 -1.405) 5.697======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( -0.427 -0.103 -0.289) 0.526 1.231 ( -1.086 3.513 1.352) 3.918 1.458 ( 1.311 -1.379 0.994) 2.147 1.897 ( -1.625 -1.156 1.249) 2.352 2.615 ( -1.670 13.874 -0.417) 13.980 3.135 ( 1.222 -0.738 0.930) 1.704 3.625 ( -1.958 3.769 -1.791) 4.610 3.964 ( -1.754 1.782 -0.778) 2.619 4.063 ( 5.173 -4.508 -0.759) 6.903 4.266 ( -6.607 6.205 2.252) 9.339 4.618 ( 2.992 -2.559 -1.954) 4.396 4.749 ( 1.486 -3.180 0.453) 3.539======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 1.081 0.199 -0.133) 1.107 1.225 ( -3.206 1.514 1.126) 3.720 1.426 ( -1.185 -3.455 -0.935) 3.771 1.873 ( -0.673 0.084 -0.205) 0.709 2.606 ( -11.099 7.423 -0.846) 13.379 3.144 ( 0.334 -1.078 1.415) 1.810 3.701 ( 3.606 6.592 2.786) 8.014 3.950 ( -1.615 2.231 -1.208) 3.007 4.097 ( 4.085 -6.066 0.225) 7.317 4.252 ( -3.974 8.941 2.112) 10.010 4.599 ( 0.502 -6.261 -2.965) 6.946 4.756 ( 2.071 -1.300 0.624) 2.523======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -5.275 -0.744 0.652) 5.367 1.177 ( 2.242 0.070 0.282) 2.261 1.383 ( -0.427 -1.007 -0.458) 1.186 1.871 ( 0.748 -0.239 -0.870) 1.172 2.417 ( -14.516 1.874 -0.281) 14.639 3.111 ( -4.287 -0.470 0.801) 4.387 3.817 ( 0.364 2.561 3.306) 4.198 3.974 ( 1.345 5.815 -1.968) 6.284 4.083 ( 1.022 -4.846 1.193) 5.095 4.309 ( -1.400 8.967 1.687) 9.231 4.499 ( -1.983 -7.741 -2.951) 8.519 4.816 ( 6.487 -1.363 0.684) 6.664======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( -6.494 0.000 0.000) 6.494 1.217 ( 1.712 -0.000 -0.000) 1.712 1.380 ( 0.186 -0.000 -0.000) 0.186 1.887 ( 0.885 -0.000 -0.000) 0.885 2.176 ( -12.850 0.000 0.000) 12.850 2.975 ( -11.382 0.000 0.000) 11.382 3.800 ( -2.658 0.000 0.000) 2.658 3.990 ( -3.936 0.000 0.000) 3.936 4.107 ( 3.673 -0.000 -0.000) 3.673 4.368 ( -0.717 0.000 0.000) 0.717 4.405 ( 0.639 -0.000 -0.000) 0.639 4.958 ( 9.817 -0.000 -0.000) 9.817======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( -0.000 1.640 -0.020) 1.640 1.260 ( 0.000 5.514 0.276) 5.521 1.404 ( -0.000 0.751 -1.243) 1.453 1.722 ( 0.000 11.004 0.452) 11.013 2.008 ( -0.000 -3.580 -2.122) 4.161 2.574 ( 0.000 23.836 0.601) 23.843 3.776 ( -0.000 0.058 -0.187) 0.196 3.848 ( -0.000 1.957 -0.085) 1.959 4.031 ( -0.000 0.647 -0.085) 0.652 4.290 ( 0.000 -4.477 4.288) 6.199 4.503 ( -0.000 -5.887 -3.949) 7.089 5.287 ( -0.000 -4.847 -3.276) 5.850======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 0.042 1.191 -0.721) 1.393 1.287 ( -1.650 1.384 1.261) 2.496 1.371 ( -2.017 1.025 -4.602) 5.128 1.855 ( 2.242 7.820 0.233) 8.138 1.995 ( 3.494 -0.900 0.114) 3.610 2.819 ( 2.037 19.404 -0.066) 19.511 3.793 ( 1.530 -0.044 -1.670) 2.265 3.854 ( -0.999 2.523 1.197) 2.966 4.091 ( 4.999 0.641 0.238) 5.045 4.263 ( 0.245 -4.402 4.516) 6.311 4.437 ( -0.473 -2.791 -4.691) 5.478 5.174 ( -5.677 -5.393 -2.928) 8.360======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( 1.756 1.118 -0.087) 2.083 1.247 ( -2.509 -0.248 0.834) 2.655 1.364 ( 0.084 2.266 -2.120) 3.104 1.908 ( 0.778 -0.469 2.174) 2.356 2.156 ( 8.803 8.060 0.161) 11.937 3.014 ( 1.556 12.786 -0.515) 12.890 3.807 ( -0.621 2.006 -2.436) 3.216 3.865 ( 0.737 -0.531 -1.409) 1.677 4.153 ( -0.902 -0.307 0.269) 0.990 4.272 ( 6.531 -3.470 1.594) 7.565 4.423 ( 0.732 1.688 -1.016) 2.102 4.982 ( -8.510 -5.302 -2.191) 10.263======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 0.380 -1.305 -0.140) 1.366 1.245 ( 0.142 3.964 2.401) 4.637 1.395 ( 1.475 1.337 0.880) 2.176 1.917 ( 0.498 -1.279 2.586) 2.928 2.421 ( 10.367 10.402 0.420) 14.691 3.122 ( -0.201 6.341 -0.317) 6.352 3.774 ( -4.477 2.508 -5.144) 7.266 3.872 ( 3.100 -3.415 -2.433) 5.214 4.092 ( -3.713 -0.907 0.573) 3.865 4.384 ( 5.563 0.661 -0.639) 5.639 4.474 ( 2.562 1.480 2.820) 4.087 4.789 ( -6.591 -3.838 -1.613) 7.796======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -0.496 -0.738 -0.055) 0.891 1.299 ( -0.583 4.480 1.723) 4.835 1.430 ( 1.083 -1.216 1.974) 2.559 1.914 ( -0.629 -0.592 1.536) 1.762 2.709 ( 8.089 12.325 1.066) 14.780 3.129 ( -2.373 -0.251 -0.264) 2.401 3.700 ( -3.704 2.721 -4.686) 6.564 3.885 ( 4.355 -5.386 -2.139) 7.249 4.034 ( -2.565 -0.128 1.105) 2.796 4.429 ( -3.334 4.577 2.179) 6.067 4.549 ( 3.874 -1.307 0.428) 4.111 4.691 ( -0.225 -2.348 -1.498) 2.794======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 0.093 -0.091 0.013) 0.130 1.314 ( -3.220 3.479 1.299) 4.915 1.409 ( -0.705 -3.163 -0.087) 3.242 1.895 ( -1.397 0.044 0.350) 1.441 2.862 ( -7.816 9.387 -0.051) 12.215 3.087 ( 3.762 -3.978 0.511) 5.499 3.716 ( 2.078 5.230 -0.226) 5.632 3.908 ( 5.820 -5.770 -2.467) 8.559 4.004 ( -1.177 -0.316 1.374) 1.836 4.417 ( -4.308 6.088 3.442) 8.214 4.539 ( -1.009 -3.848 -3.272) 5.151 4.709 ( 2.907 -1.070 0.208) 3.105======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 1.208 -0.000 -0.000) 1.208 1.250 ( -5.614 0.000 0.000) 5.614 1.381 ( -0.369 0.000 0.000) 0.369 1.873 ( -0.961 0.000 0.000) 0.961 2.683 ( -14.291 0.000 0.000) 14.291 3.136 ( 1.243 -0.000 -0.000) 1.243 3.813 ( 3.218 -0.000 -0.000) 3.218 3.977 ( 5.741 -0.000 -0.000) 5.741 3.992 ( 0.282 -0.000 -0.000) 0.282 4.436 ( -1.891 0.000 0.000) 1.891 4.443 ( -2.413 0.000 0.000) 2.413 4.744 ( 2.053 -0.000 -0.000) 2.053======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( -0.000 0.005 -1.849) 1.849 1.297 ( -0.000 -3.193 -0.787) 3.289 1.372 ( -0.000 0.329 -5.925) 5.934 1.926 ( -0.000 8.886 -0.588) 8.906 1.929 ( 0.000 -3.495 1.415) 3.771 2.991 ( -0.000 16.452 0.168) 16.453 3.777 ( -0.000 0.291 -0.271) 0.398 3.893 ( 0.000 2.183 0.532) 2.246 4.049 ( 0.000 0.763 1.397) 1.592 4.241 ( 0.000 -3.601 4.675) 5.901 4.408 ( -0.000 0.460 -5.891) 5.909 5.156 ( -0.000 -6.461 -2.347) 6.874======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( 1.076 -0.230 -1.442) 1.814 1.243 ( 0.389 -4.245 -2.595) 4.991 1.367 ( 0.368 0.747 -2.603) 2.733 1.900 ( -0.060 -1.491 2.287) 2.731 2.073 ( 7.216 6.108 -0.965) 9.503 3.130 ( -0.196 10.969 0.036) 10.971 3.795 ( 1.413 0.710 -0.116) 1.586 3.898 ( -1.915 1.664 -0.472) 2.581 4.100 ( 4.332 0.163 0.324) 4.347 4.210 ( -0.947 -3.211 2.547) 4.206 4.425 ( 1.052 4.155 -3.099) 5.290 5.037 ( -4.822 -6.644 -1.562) 8.356======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 1.770 -0.727 0.020) 1.913 1.241 ( 2.936 -0.440 -0.211) 2.976 1.384 ( 1.266 0.614 -0.423) 1.469 1.903 ( 0.730 -0.883 2.086) 2.380 2.293 ( 11.832 5.077 -0.972) 12.912 3.205 ( -1.127 6.096 0.229) 6.204 3.823 ( 0.409 0.041 1.494) 1.550 3.853 ( -3.891 1.197 -4.186) 5.839 4.141 ( -2.290 -0.748 -0.016) 2.409 4.223 ( 8.219 -1.827 0.060) 8.420 4.488 ( 0.977 4.118 -0.260) 4.241 4.870 ( -6.593 -4.594 -0.524) 8.053======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 0.286 -0.646 -0.003) 0.706 1.314 ( 3.363 1.691 0.603) 3.812 1.411 ( 0.879 -0.200 1.097) 1.419 1.915 ( 0.491 -0.266 1.090) 1.225 2.576 ( 15.018 4.218 -0.054) 15.599 3.208 ( -3.799 2.154 0.201) 4.371 3.766 ( -3.951 -0.294 -3.668) 5.400 3.820 ( -0.991 -0.640 0.450) 1.263 4.084 ( -3.021 -0.223 0.114) 3.032 4.380 ( 9.892 -0.390 -0.115) 9.900 4.520 ( -0.492 1.183 0.888) 1.559 4.734 ( -5.423 -1.091 -0.439) 5.549======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -0.130 0.000 0.000) 0.130 1.372 ( 1.641 -0.000 -0.000) 1.641 1.399 ( -2.057 0.000 0.000) 2.057 1.915 ( -0.613 0.000 0.000) 0.613 2.867 ( 14.055 -0.000 -0.000) 14.055 3.104 ( -8.861 0.000 0.000) 8.861 3.721 ( -0.058 0.000 0.000) 0.058 3.805 ( 0.956 -0.000 -0.000) 0.956 4.037 ( -2.262 0.000 0.000) 2.262 4.509 ( -1.309 0.000 0.000) 1.309 4.514 ( 3.275 -0.000 -0.000) 3.275 4.662 ( -0.765 0.000 0.000) 0.765======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( -0.000 -0.264 -1.527) 1.550 1.160 ( -0.000 -6.016 -4.736) 7.657 1.359 ( -0.000 -0.107 -1.531) 1.535 1.891 ( 0.000 -1.586 1.990) 2.545 2.061 ( -0.000 4.794 -0.779) 4.857 3.221 ( -0.000 6.553 -0.116) 6.554 3.782 ( -0.000 0.275 -0.361) 0.454 3.935 ( 0.000 1.444 0.691) 1.601 4.075 ( 0.000 1.327 0.204) 1.342 4.197 ( 0.000 -2.817 2.233) 3.594 4.462 ( -0.000 6.728 -2.598) 7.212 5.002 ( -0.000 -7.377 -1.106) 7.460======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( 1.555 -0.431 -0.067) 1.615 1.147 ( 4.590 -2.416 -2.281) 5.666 1.363 ( 1.039 -0.066 -0.631) 1.217 1.889 ( 0.536 -0.628 1.132) 1.401 2.156 ( 6.880 2.319 -0.621) 7.287 3.264 ( -0.361 2.896 -0.020) 2.918 3.812 ( 2.494 0.533 0.423) 2.585 3.918 ( -3.260 0.631 -0.557) 3.367 4.107 ( 2.686 0.556 -0.261) 2.756 4.169 ( -1.042 -1.605 0.799) 2.073 4.524 ( 0.023 4.894 -0.892) 4.974 4.904 ( -3.056 -4.891 -0.336) 5.777======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 1.398 -0.000 -0.000) 1.398 1.235 ( 5.998 -0.000 -0.000) 5.998 1.388 ( 1.764 -0.000 -0.000) 1.764 1.901 ( 0.922 -0.000 -0.000) 0.922 2.341 ( 12.857 -0.000 -0.000) 12.857 3.265 ( -1.379 0.000 0.000) 1.379 3.841 ( -5.151 0.000 0.000) 5.151 3.843 ( -0.290 0.000 0.000) 0.290 4.132 ( -2.441 0.000 0.000) 2.441 4.204 ( 8.502 -0.000 -0.000) 8.502 4.539 ( -0.627 0.000 0.000) 0.627 4.814 ( -4.458 0.000 0.000) 4.458======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 0.000 0.000 0.000) 0.000 1.081 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 2.107 ( -0.000 0.000 -0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.188 ( 0.000 -0.000 19.833) 19.833 0.188 ( 0.000 -0.000 19.833) 19.833 0.298 ( 0.000 -0.000 31.642) 31.642 1.339 ( -0.000 0.000 -0.921) 0.921 1.339 ( -0.000 0.000 -0.921) 0.921 2.880 ( -0.000 0.000 -4.677) 4.677 3.686 ( 0.000 -0.000 0.493) 0.493 3.686 ( 0.000 -0.000 0.493) 0.493 3.917 ( -0.000 0.000 -0.587) 0.587 3.917 ( -0.000 0.000 -0.587) 0.587 4.838 ( 0.000 -0.000 0.999) 0.999 5.757 ( -0.000 0.000 -0.171) 0.171======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.249 ( 8.994 5.193 4.827) 11.452 0.265 ( 7.882 4.551 6.262) 11.048 0.850 ( 22.081 12.749 19.381) 32.027 1.354 ( 1.398 0.807 -0.792) 1.798 1.429 ( 6.091 3.516 -3.091) 7.682 2.205 ( -11.029 -6.368 15.221) 19.846 3.693 ( 0.581 0.336 0.363) 0.763 3.913 ( -0.487 -0.281 -0.175) 0.589 3.926 ( 1.431 0.826 -0.884) 1.874 4.528 ( 14.142 8.165 -29.454) 33.678 4.859 ( 0.528 0.305 1.629) 1.740 5.540 ( -9.822 -5.671 5.401) 12.562======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.507 ( 11.482 6.629 -5.500) 14.354 0.518 ( 12.662 7.310 -1.487) 14.696 1.260 ( 7.665 4.425 7.546) 11.631 1.402 ( 3.097 1.788 -0.507) 3.612 1.681 ( 16.949 9.785 2.442) 19.723 2.103 ( -2.014 -1.163 1.629) 2.840 3.713 ( 1.058 0.611 0.003) 1.222 3.896 ( -0.889 -0.513 0.174) 1.041 3.981 ( 3.301 1.906 0.495) 3.844 4.602 ( 1.324 0.764 -10.427) 10.538 4.807 ( -6.938 -4.006 7.532) 10.996 5.359 ( -5.781 -3.338 -6.297) 9.177======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.739 ( 10.346 5.973 -9.240) 15.102 0.795 ( 11.041 6.374 -2.658) 13.023 1.340 ( 0.144 0.083 0.112) 0.200 1.505 ( 6.037 3.485 -0.198) 6.973 2.044 ( 5.290 3.054 -3.809) 7.199 2.178 ( 14.507 8.376 4.924) 17.460 3.740 ( 1.249 0.721 -0.446) 1.509 3.877 ( -0.730 -0.422 0.449) 0.955 4.073 ( 3.882 2.241 1.769) 4.820 4.552 ( -8.962 -5.174 2.929) 10.755 4.619 ( -4.986 -2.879 1.465) 5.941 5.227 ( -3.539 -2.043 -10.142) 10.934======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( 9.469 5.467 -9.854) 14.719 0.994 ( 6.663 3.847 -2.607) 8.123 1.310 ( -1.825 -1.054 -2.242) 3.077 1.685 ( 9.261 5.347 -0.331) 10.699 2.092 ( 1.561 0.901 -0.766) 1.958 2.571 ( 15.677 9.051 0.729) 18.117 3.767 ( 1.137 0.656 -0.544) 1.421 3.868 ( -0.188 -0.109 0.496) 0.541 4.114 ( -4.695 -2.711 -1.017) 5.516 4.276 ( -8.946 -5.165 6.865) 12.403 4.600 ( 0.951 0.549 -1.065) 1.530 5.122 ( -3.160 -1.824 -7.859) 8.664======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 3.321 1.917 -2.017) 4.333 1.116 ( 7.030 4.059 -6.875) 10.638 1.279 ( 1.608 0.928 -2.686) 3.265 1.905 ( 9.169 5.294 -0.812) 10.619 2.103 ( -1.271 -0.734 1.597) 2.169 2.886 ( 11.275 6.510 -0.761) 13.042 3.788 ( 0.781 0.451 -0.132) 0.911 3.830 ( -13.483 -7.785 -1.201) 15.615 3.871 ( 0.301 0.174 0.288) 0.451 4.240 ( -0.284 -0.164 1.729) 1.760 4.647 ( 3.077 1.776 0.445) 3.581 5.030 ( -3.177 -1.834 -4.233) 5.601======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( 1.534 0.886 -1.420) 2.270 1.157 ( -0.169 -0.098 -2.242) 2.250 1.435 ( 10.146 5.858 -4.217) 12.451 2.025 ( -5.913 -3.414 2.074) 7.136 2.080 ( 5.645 3.259 -0.965) 6.590 3.086 ( 5.989 3.458 -0.018) 6.916 3.579 ( -7.024 -4.056 0.203) 8.114 3.801 ( 0.282 0.163 0.217) 0.391 3.881 ( 0.402 0.232 0.231) 0.518 4.230 ( -0.582 -0.336 -0.128) 0.684 4.736 ( 4.256 2.457 0.427) 4.933 4.943 ( -3.641 -2.102 -1.786) 4.568======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 0.761 0.440 -0.300) 0.929 1.166 ( 0.363 0.209 -0.871) 0.967 1.607 ( 2.698 1.558 -3.905) 4.996 1.894 ( -2.661 -1.536 0.485) 3.111 2.149 ( 0.352 0.203 -0.562) 0.693 3.162 ( 0.381 0.220 1.096) 1.181 3.524 ( 1.364 0.788 5.094) 5.332 3.803 ( -0.171 -0.099 0.108) 0.226 3.888 ( 0.090 0.052 0.464) 0.476 4.220 ( -0.118 -0.068 -0.683) 0.696 4.816 ( -1.583 -0.914 0.670) 1.947 4.870 ( 1.810 1.045 -1.577) 2.618======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -0.718 -0.415 -0.182) 0.849 1.191 ( 1.893 1.093 1.512) 2.659 1.502 ( -7.751 -4.475 2.013) 9.174 1.955 ( 5.308 3.064 -4.747) 7.752 2.091 ( -5.152 -2.975 0.157) 5.951 3.112 ( -5.340 -3.083 2.533) 6.666 3.652 ( 7.413 4.280 7.508) 11.386 3.796 ( -0.343 -0.198 -0.182) 0.436 3.886 ( -0.453 -0.261 0.637) 0.824 4.216 ( -0.117 -0.068 -1.415) 1.421 4.709 ( -4.787 -2.763 -2.474) 6.055 4.981 ( 5.386 3.110 1.931) 6.512======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( -2.241 -1.294 0.944) 2.754 1.223 ( -1.374 -0.793 4.005) 4.307 1.364 ( -3.727 -2.152 5.576) 7.044 1.922 ( -9.149 -5.282 0.797) 10.595 2.041 ( 3.226 1.862 -4.745) 6.032 2.918 ( -12.152 -7.016 2.461) 14.246 3.788 ( -0.306 -0.177 -0.176) 0.395 3.872 ( -0.841 -0.486 0.338) 1.028 3.893 ( 11.109 6.414 5.102) 13.805 4.192 ( -1.656 -0.956 -2.724) 3.328 4.613 ( -2.281 -1.317 -3.151) 4.107 5.118 ( 5.494 3.172 4.322) 7.676======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -5.245 -3.028 3.044) 6.779 1.129 ( -7.330 -4.232 9.154) 12.468 1.357 ( -0.123 -0.071 2.713) 2.717 1.697 ( -9.684 -5.591 0.926) 11.221 2.083 ( 1.450 0.837 -1.833) 2.482 2.564 ( -18.386 -10.615 -0.003) 21.231 3.778 ( -0.707 -0.408 0.415) 0.916 3.855 ( -0.345 -0.199 -0.656) 0.768 4.123 ( -2.925 -1.689 -3.965) 5.208 4.177 ( 11.955 6.902 0.909) 13.834 4.592 ( 1.088 0.628 -1.721) 2.131 5.257 ( 5.007 2.891 5.481) 7.967======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( -9.841 -5.682 6.645) 13.164 0.959 ( -10.105 -5.834 11.890) 16.659 1.318 ( -4.182 -2.415 -1.587) 5.083 1.508 ( -6.337 -3.659 0.202) 7.320 2.087 ( -19.362 -11.178 -1.154) 22.387 2.101 ( -1.633 -0.943 -1.167) 2.217 3.753 ( -1.469 -0.848 0.803) 1.876 3.858 ( 0.845 0.488 -1.417) 1.721 4.042 ( -2.979 -1.720 -1.637) 3.810 4.439 ( 10.732 6.196 -5.271) 13.466 4.644 ( 3.281 1.894 1.193) 3.972 5.378 ( 3.903 2.253 4.901) 6.658======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( -12.494 -7.213 10.905) 18.084 0.732 ( -12.784 -7.381 13.055) 19.706 1.090 ( -15.967 -9.219 -6.910) 19.689 1.402 ( -3.009 -1.737 -0.544) 3.517 1.649 ( -13.641 -7.876 -1.383) 15.812 2.094 ( -0.722 -0.417 1.282) 1.529 3.721 ( -1.425 -0.823 0.650) 1.769 3.880 ( 1.296 0.749 -1.384) 2.039 3.979 ( -2.221 -1.282 0.046) 2.565 4.627 ( 7.299 4.214 -11.066) 13.910 4.746 ( 4.353 2.513 5.092) 7.155 5.465 ( 2.474 1.429 3.192) 4.284======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.367 ( -0.000 21.810 -4.785) 22.329 0.547 ( 0.000 12.641 15.952) 20.354 0.768 ( 0.000 17.495 23.545) 29.333 1.341 ( -0.000 1.309 -1.839) 2.257 1.424 ( -0.000 7.034 -2.659) 7.520 2.258 ( 0.000 -15.259 13.999) 20.708 3.702 ( 0.000 0.996 0.801) 1.278 3.893 ( -0.000 -1.374 -1.349) 1.925 3.934 ( -0.000 1.874 -0.733) 2.012 4.398 ( -0.000 17.103 -27.527) 32.407 4.859 ( 0.000 0.167 1.622) 1.631 5.589 ( 0.000 -8.832 4.010) 9.699======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.542 ( -7.254 13.365 12.985) 19.996 0.612 ( 0.605 21.664 -4.572) 22.150 1.176 ( 11.150 7.884 11.693) 17.978 1.382 ( 2.683 3.241 -0.597) 4.249 1.567 ( 8.565 11.956 0.024) 14.708 2.140 ( -3.383 -4.374 3.541) 6.567 3.712 ( -0.055 1.150 0.742) 1.370 3.882 ( 0.796 -1.714 -1.060) 2.167 3.967 ( 1.429 2.690 0.068) 3.047 4.500 ( 5.506 1.587 -14.329) 15.433 4.848 ( -1.188 -3.892 3.860) 5.609 5.440 ( -7.760 -4.593 -1.829) 9.201======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 0.973 9.904 7.702) 12.584 0.835 ( 2.942 17.751 -6.864) 19.258 1.317 ( 2.206 -0.136 0.777) 2.343 1.480 ( 3.006 5.954 0.161) 6.672 1.939 ( 12.778 12.336 -0.567) 17.770 2.105 ( 2.940 2.303 2.013) 4.243 3.730 ( 0.495 0.932 0.722) 1.278 3.876 ( 0.488 -1.071 -0.590) 1.316 4.041 ( 3.225 3.001 1.513) 4.658 4.531 ( 2.834 -2.269 -6.654) 7.580 4.731 ( -7.685 -7.978 7.069) 13.141 5.258 ( -6.683 -2.204 -8.313) 10.891======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.794 ( 5.638 6.531 0.303) 8.633 1.014 ( 2.358 12.202 -5.698) 13.672 1.313 ( -0.730 -1.683 -2.015) 2.725 1.626 ( 5.687 8.467 -0.129) 10.201 2.059 ( 2.345 1.146 -2.243) 3.441 2.422 ( 14.356 12.683 1.736) 19.234 3.748 ( 0.656 0.123 0.470) 0.816 3.876 ( 0.099 0.537 -0.425) 0.692 4.123 ( 1.850 1.477 1.103) 2.612 4.455 ( -12.095 -6.225 5.297) 14.598 4.559 ( 1.100 -2.906 -2.051) 3.723 5.119 ( -3.342 -2.982 -8.498) 9.606======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( 7.305 4.152 -2.198) 8.685 1.131 ( 1.368 7.734 -4.006) 8.817 1.273 ( -0.605 -0.498 -2.374) 2.500 1.833 ( 7.157 8.912 -0.417) 11.438 2.101 ( 1.450 0.398 0.432) 1.565 2.767 ( 11.476 10.049 -0.462) 15.261 3.747 ( -0.153 -2.724 -0.128) 2.731 3.887 ( -0.328 1.923 -0.347) 1.982 4.044 ( -11.687 -1.372 -0.533) 11.779 4.266 ( -3.580 -0.563 2.784) 4.570 4.590 ( 4.039 -0.752 -0.555) 4.146 5.021 ( -1.476 -4.192 -5.017) 6.702======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 4.384 1.493 -2.307) 5.174 1.169 ( -0.790 1.132 -1.628) 2.135 1.337 ( 5.970 5.973 -2.434) 8.789 1.998 ( 2.964 0.763 0.718) 3.144 2.125 ( -0.333 5.757 -0.272) 5.773 3.014 ( 7.480 6.023 0.085) 9.604 3.644 ( -5.595 -5.742 -1.013) 8.081 3.872 ( -4.725 2.645 2.506) 5.967 3.915 ( -2.510 5.005 -1.451) 5.784 4.236 ( -0.886 -0.748 -0.259) 1.188 4.668 ( 5.055 0.255 -0.391) 5.077 4.946 ( -1.234 -4.526 -1.739) 5.003======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( 1.349 0.115 -2.019) 2.431 1.168 ( 0.050 1.098 -0.387) 1.165 1.508 ( 7.151 2.867 -3.352) 8.402 1.938 ( -4.287 -4.501 1.328) 6.356 2.208 ( -1.245 9.106 -1.490) 9.311 3.146 ( 2.822 1.800 1.336) 3.604 3.541 ( -1.312 -0.412 3.010) 3.309 3.849 ( -2.776 2.981 2.227) 4.642 3.928 ( -1.819 4.775 -0.740) 5.163 4.216 ( -0.122 -0.811 -0.886) 1.208 4.766 ( 6.046 0.334 -0.532) 6.079 4.864 ( -2.736 -4.588 -0.893) 5.416======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 1.328 0.272 -1.153) 1.779 1.177 ( 0.241 0.704 0.819) 1.106 1.539 ( -1.818 -4.997 -2.187) 5.749 1.882 ( 1.814 0.136 -1.507) 2.362 2.216 ( -6.393 6.062 -0.966) 8.863 3.161 ( -1.940 -1.360 2.318) 3.315 3.611 ( 4.754 3.680 6.847) 9.112 3.837 ( -2.589 2.400 1.790) 3.959 3.939 ( -2.417 5.014 -0.023) 5.567 4.210 ( 0.325 -0.414 -1.216) 1.325 4.749 ( -4.491 -4.426 -2.005) 6.617 4.884 ( 7.370 -0.209 0.482) 7.389======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -1.653 -1.475 0.475) 2.266 1.217 ( 2.133 0.116 1.988) 2.918 1.423 ( -3.909 -3.948 2.307) 6.016 1.930 ( 3.193 -1.411 -3.528) 4.963 2.111 ( -9.476 3.125 -0.863) 10.015 3.057 ( -8.370 -3.793 2.695) 9.576 3.779 ( 5.568 2.373 6.561) 8.926 3.822 ( -1.413 3.043 -0.524) 3.396 3.956 ( -1.515 6.992 1.910) 7.405 4.201 ( -0.727 -0.318 -2.094) 2.240 4.623 ( -3.335 -3.810 -3.503) 6.157 5.021 ( 8.163 -0.530 2.530) 8.563======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( -3.786 -6.020 3.669) 8.002 1.226 ( -1.944 -0.738 2.690) 3.400 1.375 ( -0.806 -0.159 3.445) 3.541 1.848 ( -9.923 -2.269 0.408) 10.187 2.047 ( 1.177 0.929 -2.973) 3.330 2.797 ( -16.612 -5.751 1.362) 17.632 3.788 ( -1.349 -0.982 2.324) 2.860 3.862 ( -0.539 1.582 -1.915) 2.541 4.110 ( 6.667 10.203 3.169) 12.593 4.157 ( -2.887 -0.346 -2.838) 4.063 4.558 ( 0.752 -2.276 -2.865) 3.735 5.168 ( 8.079 -0.703 3.549) 8.852======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( -6.641 -10.989 7.144) 14.693 1.166 ( -6.096 0.882 3.475) 7.071 1.359 ( -2.390 -0.819 0.677) 2.616 1.639 ( -10.854 -1.232 0.852) 10.957 2.081 ( 1.999 0.029 -1.153) 2.307 2.384 ( -23.128 -6.366 -0.697) 23.998 3.758 ( -0.895 -1.943 1.226) 2.466 3.856 ( -0.484 1.232 -1.746) 2.191 4.087 ( -3.697 -0.268 -1.483) 3.992 4.343 ( 7.860 8.816 -1.480) 11.903 4.582 ( 4.248 -1.025 -0.467) 4.395 5.303 ( 6.963 -0.920 2.670) 7.513======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.672 ( -8.844 -13.397 9.768) 18.791 1.031 ( -11.924 -0.230 1.207) 11.987 1.257 ( -8.604 -1.064 0.136) 8.670 1.475 ( -6.954 -0.345 0.357) 6.972 1.907 ( -23.044 -3.820 -1.026) 23.381 2.098 ( 0.193 -0.273 0.076) 0.343 3.729 ( -0.767 -1.403 0.722) 1.754 3.865 ( 0.718 1.019 -1.164) 1.705 4.020 ( -3.356 -0.162 -0.080) 3.361 4.533 ( 6.304 6.119 -6.282) 10.800 4.675 ( 6.478 -0.350 3.548) 7.394 5.402 ( 5.214 -1.567 0.094) 5.445======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( -0.000 19.721 -6.050) 20.629 0.865 ( 0.000 9.920 10.600) 14.518 1.199 ( 0.000 11.171 14.200) 18.068 1.380 ( -0.000 4.274 -1.895) 4.675 1.631 ( 0.000 16.158 0.239) 16.160 2.131 ( 0.000 -4.374 1.084) 4.506 3.733 ( 0.000 1.580 0.606) 1.693 3.852 ( -0.000 -1.577 -1.394) 2.105 3.974 ( -0.000 2.224 -0.591) 2.301 4.423 ( -0.000 0.868 -9.815) 9.854 4.820 ( 0.000 -6.005 3.347) 6.875 5.458 ( -0.000 -4.799 -3.187) 5.761======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.869 ( -6.619 11.593 7.486) 15.305 0.967 ( 0.035 14.941 -3.240) 15.288 1.303 ( -0.138 2.548 2.468) 3.550 1.489 ( 4.019 6.758 0.729) 7.897 1.904 ( 7.968 18.761 0.673) 20.394 2.093 ( 0.561 -0.125 -0.425) 0.715 3.750 ( -0.325 1.959 1.347) 2.399 3.838 ( 1.001 -1.686 -1.624) 2.546 4.023 ( 2.773 2.559 0.507) 3.807 4.426 ( 3.027 -2.335 -5.046) 6.331 4.740 ( -2.046 -8.957 3.629) 9.879 5.340 ( -6.554 -2.969 -5.975) 9.353======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( -4.146 9.864 6.912) 12.738 1.096 ( 0.494 11.414 -4.975) 12.461 1.302 ( -0.872 -0.685 -1.615) 1.959 1.636 ( 4.093 9.400 0.110) 10.253 2.033 ( 1.123 1.474 -2.439) 3.063 2.344 ( 11.633 16.615 1.356) 20.328 3.760 ( -0.974 1.083 1.590) 2.157 3.854 ( 2.417 -0.106 -1.658) 2.933 4.107 ( 2.780 2.373 1.477) 3.942 4.440 ( 3.449 -3.778 -2.097) 5.529 4.588 ( -5.953 -8.808 2.915) 11.024 5.161 ( -7.560 -2.588 -7.304) 10.826======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( -0.206 8.323 4.107) 9.283 1.182 ( 0.128 6.835 -3.046) 7.484 1.268 ( -0.518 -0.336 -3.010) 3.072 1.822 ( 5.293 9.873 -0.059) 11.203 2.077 ( 2.442 1.841 0.642) 3.125 2.693 ( 10.193 13.612 -0.964) 17.032 3.746 ( -1.535 -0.807 0.602) 1.836 3.895 ( 1.620 1.782 -2.149) 3.228 4.138 ( -1.755 -0.316 0.029) 1.783 4.383 ( -7.799 -3.125 2.121) 8.666 4.494 ( 4.657 -2.292 -0.122) 5.191 4.999 ( -4.225 -4.523 -5.624) 8.363======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 1.360 5.987 2.323) 6.564 1.189 ( -1.249 -0.277 -0.762) 1.490 1.316 ( 3.112 5.943 -2.110) 7.033 1.966 ( 2.624 1.635 1.143) 3.296 2.176 ( 2.937 9.110 0.311) 9.577 2.956 ( 7.306 8.585 -0.574) 11.288 3.678 ( -4.143 -2.570 -1.622) 5.138 3.926 ( 0.177 2.162 -1.837) 2.842 4.060 ( -5.370 1.610 0.416) 5.621 4.270 ( -4.563 0.681 0.273) 4.622 4.573 ( 5.198 -0.636 0.019) 5.237 4.895 ( -0.383 -5.901 -2.246) 6.326======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( -0.222 1.851 -0.635) 1.970 1.180 ( 0.014 1.474 0.433) 1.536 1.437 ( 4.305 3.893 -0.379) 5.816 1.955 ( -2.037 -3.648 1.703) 4.512 2.330 ( 0.391 13.346 -1.481) 13.434 3.114 ( 3.981 3.183 1.278) 5.255 3.580 ( -3.218 -0.271 -0.670) 3.298 3.927 ( -1.918 1.846 0.967) 2.832 4.038 ( -2.268 6.189 0.009) 6.591 4.212 ( -2.318 -0.526 -0.713) 2.481 4.651 ( 5.243 -1.253 -1.710) 5.656 4.838 ( 0.087 -5.190 0.112) 5.192======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( 0.851 0.684 -1.038) 1.506 1.196 ( -0.701 1.669 0.717) 1.947 1.494 ( 0.778 -2.436 -1.660) 3.049 1.883 ( -2.045 -1.514 0.588) 2.611 2.408 ( -5.726 11.042 -1.733) 12.558 3.171 ( 0.509 -0.488 2.336) 2.440 3.598 ( 2.800 3.860 3.379) 5.844 3.913 ( -2.334 1.737 1.729) 3.385 4.071 ( -3.646 9.021 0.610) 9.749 4.180 ( 0.886 -2.361 -1.072) 2.740 4.710 ( 3.908 -5.111 -3.031) 7.112 4.790 ( 0.324 -2.052 0.901) 2.265======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 0.338 0.537 -0.976) 1.164 1.192 ( -0.194 -0.469 2.108) 2.168 1.431 ( -1.839 -4.040 -0.846) 4.519 1.872 ( 1.158 -0.152 -1.181) 1.661 2.337 ( -11.135 5.724 -0.963) 12.557 3.141 ( -3.654 -1.896 2.244) 4.689 3.743 ( 5.265 5.505 4.495) 8.845 3.891 ( -2.463 1.960 0.720) 3.229 4.086 ( -4.086 7.297 2.147) 8.634 4.189 ( 1.409 0.181 -1.455) 2.033 4.626 ( -3.171 -5.913 -3.331) 7.491 4.862 ( 7.813 -2.255 0.986) 8.191======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( -4.358 -3.565 2.469) 6.148 1.220 ( 1.781 -0.435 0.744) 1.979 1.387 ( -0.288 -0.905 0.773) 1.224 1.891 ( 1.306 -0.634 -1.424) 2.034 2.159 ( -11.947 1.761 -0.354) 12.082 3.003 ( -10.665 -2.586 1.226) 11.042 3.815 ( -1.695 -0.874 3.056) 3.602 3.910 ( -0.747 5.617 -2.006) 6.011 4.119 ( 1.664 2.339 2.908) 4.086 4.213 ( -1.211 6.387 -1.053) 6.585 4.514 ( -1.216 -4.982 -3.075) 5.980 4.996 ( 9.775 -2.802 1.427) 10.268======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.964 ( -7.052 -5.753 4.240) 10.040 1.227 ( -0.924 -0.225 0.469) 1.061 1.379 ( -0.661 -0.633 -0.506) 1.046 1.825 ( -9.483 -0.475 0.240) 9.498 2.048 ( -0.244 0.516 -0.682) 0.889 2.718 ( -19.073 -2.268 -0.074) 19.208 3.769 ( -2.010 -1.646 1.126) 2.832 3.901 ( -3.106 2.484 -1.456) 4.235 4.134 ( -1.557 -0.510 0.089) 1.640 4.327 ( 4.037 9.192 0.062) 10.039 4.482 ( 3.515 -4.084 -1.093) 5.498 5.143 ( 9.424 -2.369 0.122) 9.718======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( -9.848 -4.540 4.473) 11.731 1.165 ( -6.128 -1.916 -1.799) 6.668 1.340 ( -2.373 -0.289 -1.712) 2.940 1.630 ( -10.671 -0.459 0.358) 10.687 2.074 ( 1.276 0.218 -1.390) 1.900 2.323 ( -23.843 0.644 0.626) 23.859 3.735 ( -0.849 -0.569 0.867) 1.340 3.875 ( -1.152 0.948 -0.532) 1.584 4.086 ( -3.614 0.445 0.604) 3.691 4.481 ( 5.325 4.711 -1.968) 7.377 4.541 ( 6.968 -3.022 1.990) 7.851 5.265 ( 7.355 -2.127 -3.107) 8.262======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 0.000 3.958 3.144) 5.055 1.065 ( -0.000 13.328 -4.096) 13.944 1.379 ( 0.000 2.479 4.085) 4.778 1.512 ( -0.000 9.395 -0.085) 9.395 2.024 ( -0.000 8.183 -2.668) 8.607 2.107 ( 0.000 14.001 1.841) 14.121 3.767 ( 0.000 1.159 0.295) 1.195 3.824 ( -0.000 -0.103 -0.897) 0.902 4.011 ( 0.000 1.513 0.264) 1.536 4.370 ( -0.000 -2.289 -0.860) 2.445 4.668 ( 0.000 -9.996 1.359) 10.088 5.350 ( -0.000 -3.209 -6.051) 6.849======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( -2.480 4.138 1.595) 5.081 1.176 ( 0.368 8.932 -3.330) 9.539 1.348 ( -4.111 0.795 -0.470) 4.214 1.660 ( 4.101 9.874 0.196) 10.694 2.023 ( 0.485 -0.549 -2.041) 2.169 2.386 ( 5.601 22.094 1.024) 22.816 3.798 ( 1.813 -0.840 -1.476) 2.484 3.807 ( -1.179 2.354 1.304) 2.938 4.071 ( 4.086 1.619 1.063) 4.522 4.355 ( 1.223 -3.426 0.943) 3.758 4.556 ( -1.411 -9.467 -0.430) 9.581 5.243 ( -6.035 -2.993 -6.071) 9.068======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.077 ( -0.836 4.782 1.750) 5.161 1.237 ( -0.909 4.261 -0.810) 4.432 1.287 ( -2.164 1.675 -3.524) 4.462 1.834 ( 4.220 8.721 0.153) 9.690 2.055 ( 3.159 1.937 1.240) 3.908 2.696 ( 6.401 17.539 -1.175) 18.708 3.777 ( -1.633 0.270 -0.428) 1.710 3.857 ( 2.473 0.903 -1.445) 3.003 4.149 ( 1.285 0.970 0.799) 1.798 4.358 ( 3.789 -4.422 0.897) 5.892 4.448 ( -1.460 -4.560 -0.010) 4.788 5.061 ( -8.447 -3.515 -5.161) 10.504======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 0.920 5.326 3.317) 6.342 1.205 ( -2.469 -0.882 0.333) 2.643 1.325 ( 1.738 5.511 -2.334) 6.232 1.943 ( 2.014 1.066 1.666) 2.822 2.203 ( 5.973 10.088 1.409) 11.808 2.940 ( 5.106 11.293 -1.416) 12.475 3.730 ( -3.788 0.009 -2.090) 4.326 3.896 ( 2.799 -0.216 -3.823) 4.743 4.120 ( -3.124 -1.284 0.257) 3.388 4.362 ( -1.320 0.392 0.040) 1.378 4.475 ( 5.448 -0.370 2.380) 5.957 4.873 ( -5.752 -4.889 -3.346) 8.257======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -1.728 -0.611 -0.007) 1.833 1.212 ( -0.141 4.723 2.690) 5.437 1.417 ( 2.884 3.541 0.850) 4.645 1.952 ( -0.514 -2.332 2.185) 3.237 2.432 ( 4.629 14.449 0.267) 15.175 3.088 ( 3.101 4.428 0.001) 5.405 3.644 ( -4.463 0.776 -3.456) 5.698 3.931 ( 2.761 -0.393 -4.058) 4.924 4.064 ( -1.259 -1.600 1.754) 2.688 4.334 ( -5.478 4.945 1.494) 7.529 4.563 ( 3.837 -0.360 -0.422) 3.877 4.768 ( 0.537 -5.369 -0.939) 5.477======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -0.572 0.078 -0.114) 0.588 1.246 ( -1.518 3.675 1.791) 4.361 1.465 ( 0.382 -1.308 0.455) 1.437 1.909 ( -2.112 -1.559 1.150) 2.866 2.609 ( -2.422 14.363 -0.851) 14.591 3.147 ( 1.914 -1.035 1.637) 2.723 3.615 ( 0.221 3.805 -0.371) 3.829 3.947 ( 0.401 -0.006 -2.738) 2.768 4.066 ( 3.479 -3.154 1.294) 4.871 4.288 ( -6.841 7.142 2.299) 10.154 4.596 ( 2.431 -2.787 -2.655) 4.553 4.753 ( 1.863 -3.299 0.273) 3.799======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 0.956 0.443 -0.238) 1.081 1.240 ( -3.247 1.493 1.842) 4.021 1.418 ( -1.521 -3.408 -0.741) 3.805 1.874 ( -1.151 -0.076 0.400) 1.221 2.598 ( -11.026 7.868 -0.914) 13.577 3.159 ( 0.329 -1.711 1.745) 2.466 3.726 ( 4.958 6.527 2.398) 8.540 3.934 ( -0.908 0.357 -2.304) 2.502 4.099 ( 3.584 -4.799 0.127) 5.991 4.278 ( -4.411 9.464 3.267) 10.940 4.569 ( 0.538 -6.453 -3.200) 7.223 4.760 ( 2.159 -1.450 0.130) 2.604======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( -3.327 -0.380 0.755) 3.433 1.182 ( 0.540 -1.080 0.938) 1.529 1.381 ( -0.165 -0.732 -0.006) 0.751 1.869 ( 0.432 0.190 0.307) 0.563 2.415 ( -14.403 2.145 -0.064) 14.562 3.117 ( -4.374 -1.206 0.621) 4.580 3.839 ( -0.132 0.276 1.261) 1.298 3.952 ( 2.118 6.122 -2.715) 7.024 4.089 ( 1.253 -4.419 0.216) 4.598 4.332 ( -2.361 9.502 3.069) 10.260 4.473 ( -1.647 -7.369 -2.552) 7.970 4.819 ( 6.737 -1.785 -0.094) 6.970======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( -6.337 -1.824 1.717) 6.814 1.215 ( 1.781 -0.182 -0.384) 1.831 1.376 ( -0.328 -0.487 -0.907) 1.081 1.893 ( 0.711 0.822 1.121) 1.561 2.177 ( -12.810 0.101 0.333) 12.815 2.973 ( -11.461 -0.555 -0.562) 11.488 3.794 ( -2.338 -1.671 -1.387) 3.191 3.983 ( -3.566 1.340 -1.544) 4.111 4.109 ( 3.606 -0.887 0.301) 3.726 4.367 ( -0.260 -3.466 -0.144) 3.479 4.411 ( -0.111 4.811 1.296) 4.984 4.951 ( 9.611 -1.002 -1.381) 9.761======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( -8.070 0.656 0.314) 8.103 1.215 ( -1.907 -1.078 -0.926) 2.379 1.345 ( -0.818 -1.114 -3.802) 4.045 1.823 ( -10.530 0.137 -0.048) 10.531 2.064 ( -0.512 1.006 0.830) 1.401 2.710 ( -18.292 1.752 -0.812) 18.394 3.748 ( -0.882 -0.293 -0.789) 1.219 3.916 ( -3.043 -0.711 -0.054) 3.126 4.136 ( -0.325 0.150 0.182) 0.402 4.344 ( 5.096 -8.202 1.726) 9.809 4.494 ( 1.952 5.737 0.197) 6.063 5.099 ( 8.487 -0.299 -4.327) 9.531======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( -0.000 0.712 -1.220) 1.412 1.249 ( -0.000 7.215 -2.894) 7.774 1.380 ( -0.000 -2.203 -3.615) 4.234 1.724 ( -0.000 10.749 -0.066) 10.749 1.994 ( -0.000 -2.155 -0.751) 2.282 2.580 ( 0.000 23.207 0.681) 23.217 3.775 ( 0.000 -0.081 0.082) 0.116 3.847 ( -0.000 2.310 -0.218) 2.321 4.041 ( 0.000 0.776 2.257) 2.386 4.323 ( 0.000 -3.206 2.199) 3.888 4.471 ( -0.000 -7.876 -2.543) 8.276 5.246 ( -0.000 -3.687 -5.340) 6.489======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 0.590 0.700 -1.642) 1.880 1.294 ( -1.043 2.703 -0.107) 2.899 1.317 ( -1.235 -0.491 -6.531) 6.665 1.856 ( 2.681 8.291 -0.060) 8.714 2.003 ( 3.652 -0.619 1.370) 3.949 2.816 ( 1.644 19.364 -0.625) 19.444 3.781 ( 0.556 0.214 -0.860) 1.047 3.861 ( -0.871 2.040 0.343) 2.245 4.101 ( 4.543 0.259 1.828) 4.904 4.285 ( -0.438 -4.233 -0.812) 4.333 4.409 ( 0.651 -3.166 -0.218) 3.239 5.139 ( -5.632 -4.175 -4.279) 8.214======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( 2.660 0.866 0.022) 2.798 1.251 ( -1.403 -0.724 -0.203) 1.592 1.342 ( 1.051 3.771 -2.366) 4.574 1.929 ( 1.040 0.334 2.278) 2.526 2.159 ( 9.161 7.010 0.328) 11.540 3.007 ( 1.362 13.367 -1.064) 13.478 3.784 ( -1.581 1.574 -2.310) 3.212 3.851 ( -0.404 -0.499 -1.572) 1.698 4.156 ( -1.119 -0.454 0.229) 1.229 4.267 ( 6.253 -3.333 -2.261) 7.438 4.433 ( 2.138 1.251 2.982) 3.877 4.958 ( -8.405 -4.123 -2.752) 9.758======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 0.217 -1.348 -0.003) 1.366 1.264 ( 0.909 3.251 1.560) 3.719 1.404 ( 2.374 2.349 1.004) 3.487 1.941 ( 0.354 -1.591 2.424) 2.921 2.425 ( 10.908 10.059 0.408) 14.844 3.118 ( -0.228 6.852 -0.590) 6.881 3.723 ( -4.745 1.438 -5.434) 7.356 3.852 ( 1.889 -1.598 -1.590) 2.941 4.099 ( -3.093 -1.028 0.698) 3.334 4.377 ( 6.338 0.616 -0.868) 6.427 4.500 ( 2.591 1.019 2.427) 3.694 4.775 ( -6.809 -3.110 -1.372) 7.610======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -0.469 -0.693 -0.024) 0.837 1.313 ( -0.312 3.731 1.326) 3.972 1.447 ( 0.607 -1.402 1.649) 2.248 1.927 ( -0.947 -1.178 1.229) 1.948 2.718 ( 8.040 12.532 0.900) 14.916 3.127 ( -2.145 -0.509 -0.211) 2.214 3.661 ( -2.027 3.019 -3.596) 5.114 3.863 ( 2.889 -3.436 -2.364) 5.074 4.049 ( -1.845 -0.949 1.932) 2.835 4.449 ( -1.679 4.430 1.927) 5.115 4.545 ( 1.572 -1.160 -1.087) 2.236 4.681 ( 0.416 -2.421 -0.582) 2.524======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 0.084 -0.085 0.013) 0.121 1.328 ( -3.024 2.876 1.627) 4.479 1.407 ( -1.233 -3.594 -0.171) 3.804 1.899 ( -1.500 -0.324 0.502) 1.615 2.861 ( -8.458 9.576 0.036) 12.776 3.092 ( 4.381 -4.572 0.568) 6.357 3.718 ( 3.570 5.804 0.534) 6.835 3.872 ( 3.963 -3.844 -4.552) 7.155 4.026 ( -0.154 -1.837 2.708) 3.276 4.450 ( -4.127 6.268 3.535) 8.295 4.509 ( -1.274 -4.156 -2.927) 5.241 4.708 ( 2.997 -1.112 -0.530) 3.240======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 1.172 0.009 -0.056) 1.174 1.254 ( -5.430 -1.315 0.879) 5.656 1.385 ( -0.309 0.685 0.769) 1.076 1.877 ( -0.830 -0.067 0.675) 1.072 2.685 ( -14.323 0.358 0.427) 14.333 3.136 ( 1.249 -0.795 -0.119) 1.486 3.807 ( 2.633 -3.196 -1.304) 4.341 3.946 ( 4.956 6.815 -3.769) 9.231 4.016 ( 1.040 -3.704 2.293) 4.479 4.412 ( -1.804 -7.526 -2.069) 8.011 4.475 ( -2.269 7.468 3.867) 8.711 4.739 ( 2.084 -0.105 -0.979) 2.305======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( -5.201 -0.452 0.257) 5.227 1.175 ( 1.898 -0.065 -0.181) 1.907 1.389 ( -1.092 1.135 0.822) 1.776 1.884 ( 1.238 0.628 1.870) 2.329 2.420 ( -14.649 -1.812 0.429) 14.767 3.103 ( -4.355 -0.060 -0.833) 4.434 3.779 ( 0.560 -4.295 -4.714) 6.402 3.989 ( 0.563 -5.231 1.014) 5.358 4.067 ( 1.207 5.038 -2.061) 5.575 4.301 ( -0.631 -8.098 -0.034) 8.123 4.526 ( -2.388 7.309 2.738) 8.162 4.807 ( 6.131 1.237 -1.295) 6.387======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( -5.954 2.287 -1.168) 6.484 1.205 ( 1.521 -0.494 -0.878) 1.824 1.358 ( -3.070 -0.068 -2.123) 3.733 1.931 ( 0.181 1.726 2.346) 2.919 2.167 ( -11.054 -1.388 0.493) 11.152 2.976 ( -10.585 1.587 -1.428) 10.798 3.738 ( 0.740 -1.844 -4.312) 4.748 3.937 ( -0.965 -4.249 0.629) 4.402 4.073 ( 1.267 -4.953 -1.717) 5.393 4.248 ( 0.493 -3.763 1.941) 4.262 4.558 ( -1.891 5.837 1.568) 6.333 4.950 ( 7.972 1.988 -3.154) 8.800======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( -0.000 0.005 -1.979) 1.979 1.262 ( -0.000 -5.433 -7.099) 8.940 1.331 ( -0.000 2.858 -2.278) 3.654 1.920 ( -0.000 8.691 -0.793) 8.727 1.951 ( 0.000 -2.938 3.025) 4.217 2.987 ( -0.000 16.461 -1.026) 16.493 3.775 ( -0.000 0.172 -0.187) 0.254 3.897 ( 0.000 2.433 0.315) 2.453 4.060 ( 0.000 -0.392 1.054) 1.125 4.252 ( -0.000 -2.616 -3.459) 4.337 4.386 ( 0.000 -0.003 2.407) 2.407 5.129 ( -0.000 -5.365 -3.381) 6.341======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 1.720 0.193 -0.813) 1.912 1.208 ( 2.176 -4.134 -4.651) 6.592 1.350 ( 0.553 1.705 -1.295) 2.211 1.925 ( -0.093 -1.501 2.919) 3.283 2.066 ( 7.156 5.669 -0.626) 9.151 3.124 ( -0.075 11.287 -1.203) 11.351 3.793 ( 1.299 1.129 -0.376) 1.761 3.892 ( -2.965 1.357 -0.941) 3.394 4.094 ( 4.550 -0.682 -1.531) 4.849 4.206 ( -1.539 -1.644 -2.843) 3.627 4.430 ( 1.605 3.190 3.822) 5.230 5.020 ( -4.615 -5.664 -2.146) 7.615======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 1.716 -0.763 0.256) 1.896 1.234 ( 4.357 -0.191 -1.329) 4.559 1.386 ( 2.015 1.053 0.712) 2.382 1.923 ( 0.632 -1.690 2.156) 2.812 2.286 ( 12.082 5.082 -0.537) 13.118 3.202 ( -0.936 6.401 -0.792) 6.517 3.798 ( -3.501 1.813 -5.905) 7.100 3.848 ( -1.422 0.641 2.167) 2.670 4.142 ( -2.399 -0.786 0.222) 2.534 4.208 ( 8.817 -1.028 -2.942) 9.352 4.501 ( 1.029 2.984 2.791) 4.213 4.865 ( -6.390 -3.893 -0.681) 7.514======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 0.269 -0.635 -0.031) 0.691 1.313 ( 3.553 1.310 -0.788) 3.868 1.425 ( 1.144 -0.999 1.870) 2.409 1.923 ( 0.361 -1.153 0.634) 1.365 2.578 ( 15.404 4.170 0.312) 15.962 3.206 ( -3.806 2.219 -0.572) 4.442 3.722 ( -3.662 2.323 -5.034) 6.645 3.834 ( -1.668 -0.570 2.136) 2.769 4.088 ( -2.779 -0.477 0.703) 2.906 4.372 ( 10.170 0.029 -1.584) 10.293 4.529 ( -0.466 0.354 0.977) 1.139 4.734 ( -5.562 -0.815 0.389) 5.635======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -0.128 -0.001 0.000) 0.128 1.368 ( 1.918 -0.067 -0.789) 2.075 1.400 ( -2.196 -1.737 0.215) 2.808 1.913 ( -0.507 -0.630 -0.306) 0.865 2.866 ( 13.924 -1.110 -0.148) 13.969 3.104 ( -8.628 0.622 -0.159) 8.651 3.726 ( 0.795 4.062 0.909) 4.238 3.801 ( -0.285 -0.796 -0.645) 1.064 4.043 ( -2.046 -0.721 1.076) 2.422 4.497 ( -1.941 -2.705 -1.643) 3.713 4.515 ( 4.454 1.642 -0.439) 4.767 4.669 ( -1.261 0.712 1.359) 1.986======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 0.091 0.109 -0.007) 0.142 1.305 ( -3.055 -4.066 -0.720) 5.137 1.409 ( 0.114 2.566 0.030) 2.569 1.892 ( -1.028 -0.447 -0.174) 1.134 2.862 ( -6.867 -9.548 0.059) 11.761 3.083 ( 3.019 3.767 -0.304) 4.837 3.720 ( 0.011 -4.835 0.501) 4.861 3.914 ( 6.312 8.806 -0.629) 10.853 4.005 ( -1.438 -1.734 1.149) 2.529 4.389 ( -4.124 -6.073 -2.271) 7.684 4.566 ( -0.144 3.339 2.239) 4.023 4.705 ( 2.308 1.253 -0.485) 2.670======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 0.930 -0.023 -0.144) 0.941 1.219 ( -3.018 -1.801 -0.191) 3.520 1.436 ( -0.643 3.132 1.134) 3.393 1.877 ( 0.072 -0.315 0.746) 0.813 2.613 ( -11.149 -7.348 0.570) 13.365 3.134 ( 0.272 0.788 -0.788) 1.147 3.674 ( 1.625 -6.154 -2.976) 7.026 3.958 ( -1.450 -3.165 0.688) 3.549 4.092 ( 3.132 6.907 -1.055) 7.657 4.241 ( -2.884 -8.597 -0.210) 9.071 4.622 ( 0.327 5.592 1.775) 5.876 4.750 ( 2.138 1.550 -0.630) 2.715======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -1.926 0.703 -2.011) 2.872 1.172 ( 0.260 -0.255 0.471) 0.596 1.439 ( -3.890 3.666 0.142) 5.348 1.911 ( 3.329 0.396 2.619) 4.255 2.346 ( -11.672 -5.477 -0.129) 12.894 3.110 ( -3.898 1.278 -0.811) 4.182 3.641 ( 3.119 -5.399 -5.252) 8.153 3.899 ( -1.082 -4.359 1.375) 4.697 4.056 ( -4.325 -5.516 -1.361) 7.141 4.212 ( 1.974 -0.235 0.737) 2.120 4.663 ( -2.617 5.589 0.584) 6.199 4.844 ( 6.207 2.437 -0.716) 6.707======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( -0.000 0.172 -0.786) 0.805 1.115 ( -0.000 -4.268 -4.307) 6.063 1.352 ( -0.000 0.414 -0.221) 0.470 1.913 ( 0.000 -2.582 2.788) 3.800 2.055 ( -0.000 4.990 -0.547) 5.020 3.213 ( -0.000 6.962 -1.514) 7.124 3.779 ( -0.000 0.309 -0.089) 0.321 3.939 ( 0.000 1.401 0.049) 1.402 4.048 ( -0.000 1.455 -6.037) 6.210 4.200 ( -0.000 -1.484 -1.094) 1.844 4.476 ( 0.000 5.539 5.082) 7.517 4.989 ( -0.000 -6.616 -1.586) 6.803======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( 1.787 -0.541 -0.051) 1.868 1.130 ( 5.017 -0.446 -1.046) 5.144 1.365 ( 1.194 0.177 1.068) 1.611 1.901 ( 0.449 -1.804 1.471) 2.371 2.153 ( 6.828 2.703 -0.080) 7.344 3.258 ( -0.241 3.304 -1.331) 3.570 3.808 ( 1.963 0.630 -1.247) 2.409 3.912 ( -3.405 1.156 -0.698) 3.663 4.078 ( 3.740 1.418 -5.465) 6.772 4.173 ( -1.339 -1.052 0.028) 1.703 4.544 ( -0.371 3.826 4.728) 6.093 4.899 ( -2.839 -4.403 -0.820) 5.303======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( 1.456 -0.058 -0.155) 1.465 1.231 ( 5.487 0.491 -0.813) 5.568 1.398 ( 1.651 -0.540 1.935) 2.600 1.900 ( 0.806 -1.043 -0.167) 1.329 2.345 ( 12.852 0.450 0.767) 12.883 3.260 ( -1.323 0.181 -1.135) 1.752 3.792 ( -3.023 1.572 -5.611) 6.565 3.883 ( -2.064 0.217 3.816) 4.344 4.135 ( -2.384 -0.135 0.627) 2.469 4.188 ( 9.143 1.015 -3.116) 9.713 4.554 ( -1.413 -0.590 3.016) 3.382 4.813 ( -4.264 0.010 -0.177) 4.268======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 0.315 0.691 0.017) 0.760 1.302 ( 3.395 -1.787 -1.883) 4.274 1.406 ( 0.019 -1.006 -0.109) 1.012 1.903 ( 0.548 -0.495 -1.330) 1.521 2.578 ( 14.383 -4.426 0.364) 15.053 3.202 ( -3.522 -1.913 -0.907) 4.109 3.777 ( -0.180 5.090 -0.803) 5.156 3.837 ( -3.630 -1.370 3.644) 5.323 4.087 ( -3.112 -0.155 0.631) 3.179 4.372 ( 10.223 1.146 -1.891) 10.460 4.515 ( -2.023 -2.137 0.009) 2.943 4.741 ( -4.663 1.204 0.998) 4.918======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -0.520 0.825 0.084) 0.979 1.282 ( -0.326 -5.099 -1.815) 5.422 1.411 ( 1.275 0.901 -1.878) 2.442 1.899 ( -0.246 0.011 -1.534) 1.553 2.699 ( 7.989 -12.193 -1.015) 14.613 3.132 ( -2.276 0.211 0.265) 2.301 3.746 ( -5.039 -2.387 4.799) 7.357 3.901 ( 5.061 7.815 1.474) 9.427 4.029 ( -2.871 -1.027 0.004) 3.049 4.410 ( -4.633 -4.655 -1.585) 6.756 4.536 ( 5.881 1.548 -2.181) 6.460 4.708 ( -0.902 2.054 2.011) 3.013======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -0.360 0.456 0.339) 0.673 1.222 ( -0.567 -3.464 -0.698) 3.579 1.447 ( 2.228 1.261 -1.202) 2.828 1.886 ( -0.979 0.548 -1.114) 1.581 2.617 ( -1.073 -13.514 -0.111) 13.557 3.130 ( 0.716 0.594 -0.048) 0.932 3.647 ( -4.191 -2.996 2.687) 5.810 3.964 ( -2.437 -2.565 -0.497) 3.573 4.077 ( 5.353 5.272 1.874) 7.744 4.248 ( -6.334 -5.982 -1.538) 8.847 4.629 ( 3.842 2.612 0.217) 4.651 4.746 ( 0.837 2.977 0.016) 3.092======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 0.232 0.402 -0.000) 0.465 1.188 ( -0.696 -1.206 -0.000) 1.392 1.509 ( 1.944 3.368 -0.000) 3.889 1.877 ( 0.137 0.237 -0.000) 0.274 2.426 ( -6.104 -10.572 -0.000) 12.208 3.147 ( 0.267 0.462 -0.000) 0.533 3.565 ( -1.841 -3.188 -0.000) 3.681 3.892 ( -2.011 -3.482 -0.000) 4.021 4.068 ( -4.466 -7.735 -0.000) 8.932 4.190 ( 1.572 2.724 -0.000) 3.145 4.741 ( 3.170 5.490 -0.000) 6.339 4.779 ( 0.905 1.568 0.000) 1.810======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 0.000 2.133 1.687) 2.719 1.086 ( 0.000 0.486 0.956) 1.073 1.360 ( 0.000 0.141 1.889) 1.894 1.884 ( 0.000 -1.221 0.411) 1.289 2.109 ( 0.000 0.330 0.366) 0.493 3.274 ( -0.000 0.532 -1.394) 1.492 3.785 ( 0.000 0.103 0.353) 0.368 3.949 ( -0.000 -0.152 -0.795) 0.810 4.047 ( -0.000 2.840 -9.086) 9.520 4.174 ( 0.000 -0.852 0.653) 1.073 4.587 ( 0.000 -1.176 6.218) 6.328 4.896 ( -0.000 0.707 -0.703) 0.997======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 0.943 0.916 0.849) 1.565 1.168 ( 3.499 3.246 1.914) 5.142 1.378 ( 0.918 0.010 2.784) 2.931 1.880 ( 0.439 -0.360 -0.789) 0.972 2.164 ( 7.078 -2.027 1.072) 7.441 3.258 ( -0.399 -2.491 -1.313) 2.844 3.802 ( 0.890 -0.121 -1.672) 1.898 3.922 ( -1.623 -0.258 0.379) 1.686 4.077 ( 3.906 2.038 -6.452) 7.813 4.165 ( -0.842 0.216 0.244) 0.903 4.557 ( -0.646 -5.770 5.678) 8.121 4.905 ( -3.200 5.514 -0.139) 6.377======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( 1.508 0.920 0.458) 1.825 1.238 ( 1.609 0.530 -0.852) 1.896 1.393 ( 0.202 -0.877 1.316) 1.594 1.885 ( 0.610 0.256 -1.727) 1.849 2.304 ( 11.498 -5.309 1.197) 12.721 3.198 ( -1.074 -5.648 -1.209) 5.875 3.808 ( 0.711 2.375 -1.564) 2.931 3.887 ( -2.360 -1.824 2.759) 4.063 4.142 ( -2.456 0.484 0.247) 2.515 4.206 ( 9.380 2.480 -3.240) 10.230 4.506 ( -0.493 -5.043 3.493) 6.154 4.874 ( -6.574 5.211 0.212) 8.392======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 0.510 1.184 0.244) 1.312 1.221 ( -0.459 -4.243 -2.678) 5.038 1.388 ( 0.583 -0.703 -0.687) 1.143 1.894 ( 0.492 0.916 -2.233) 2.463 2.418 ( 9.838 -10.770 -0.339) 14.591 3.124 ( 0.080 -5.684 -0.004) 5.684 3.816 ( -3.360 -2.908 3.685) 5.773 3.897 ( 3.866 5.081 2.876) 7.003 4.089 ( -4.073 0.339 -0.152) 4.090 4.384 ( 7.269 0.558 -1.043) 7.365 4.453 ( -0.507 -2.905 -1.326) 3.233 4.804 ( -6.106 4.382 1.417) 7.648======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( -0.223 -3.556 -0.646) 3.621 1.176 ( 0.319 -0.305 -0.562) 0.714 1.398 ( 2.021 -1.256 -1.017) 2.587 1.905 ( -0.111 1.952 -2.490) 3.166 2.424 ( 5.647 -13.801 -0.475) 14.919 3.096 ( 2.055 -4.096 0.697) 4.636 3.732 ( -4.899 -1.974 5.264) 7.457 3.990 ( -2.257 -2.129 1.052) 3.277 4.050 ( 2.097 3.790 1.119) 4.474 4.307 ( -6.162 -4.118 -1.093) 7.491 4.549 ( 6.726 0.933 -1.959) 7.067 4.793 ( -1.519 5.660 1.567) 6.066======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( 0.000 0.465 1.940) 1.995 1.197 ( 0.000 6.297 2.926) 6.943 1.385 ( 0.000 0.436 4.100) 4.123 1.876 ( -0.000 0.975 -1.037) 1.423 2.069 ( 0.000 -4.733 0.903) 4.818 3.215 ( -0.000 -6.146 -1.322) 6.287 3.786 ( 0.000 -0.314 0.476) 0.570 3.927 ( -0.000 -1.341 -1.141) 1.761 4.038 ( -0.000 1.616 -7.622) 7.791 4.176 ( -0.000 1.006 -1.166) 1.540 4.512 ( 0.000 -6.986 6.905) 9.823 5.010 ( 0.000 8.018 0.539) 8.037======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 0.627 0.248 1.608) 1.744 1.256 ( -0.667 3.504 0.136) 3.570 1.397 ( -0.600 -0.246 3.469) 3.529 1.884 ( -0.334 1.471 -1.018) 1.820 2.083 ( 7.299 -6.453 1.070) 9.801 3.123 ( -0.142 -10.507 -1.274) 10.585 3.796 ( 1.389 0.210 0.226) 1.423 3.899 ( -0.987 -2.062 -0.413) 2.323 4.083 ( 5.671 1.840 -3.820) 7.081 4.178 ( -0.720 1.704 -2.712) 3.283 4.474 ( -0.170 -4.432 6.287) 7.694 5.048 ( -4.934 7.379 0.698) 8.904======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 0.710 -2.195 -0.550) 2.372 1.237 ( -2.696 0.297 -1.157) 2.948 1.381 ( -0.814 -1.182 1.405) 2.008 1.891 ( 0.316 0.891 -1.355) 1.652 2.155 ( 8.353 -8.840 0.013) 12.163 3.016 ( 1.967 -12.004 -0.123) 12.164 3.828 ( -0.648 -2.175 1.728) 2.852 3.877 ( 2.869 0.756 1.236) 3.214 4.151 ( -1.674 0.192 -0.333) 1.717 4.244 ( 8.464 3.738 -3.799) 10.002 4.447 ( -1.370 -2.168 3.577) 4.401 4.998 ( -8.362 6.275 1.201) 10.524======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( 0.350 -6.668 -3.017) 7.327 1.210 ( -1.319 1.471 0.559) 2.053 1.364 ( 0.094 -1.923 1.607) 2.508 1.907 ( 1.082 0.817 -1.852) 2.295 2.182 ( 6.465 -10.875 -0.710) 12.672 2.965 ( 4.980 -10.613 1.045) 11.770 3.776 ( -1.802 -2.649 2.305) 3.947 3.962 ( 3.332 -1.217 2.801) 4.520 4.112 ( -3.081 2.180 -0.467) 3.803 4.365 ( -3.606 -1.712 0.253) 4.000 4.428 ( 6.289 2.051 -2.239) 6.983 4.932 ( -6.116 6.888 2.529) 9.552======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 0.000 -0.350 1.394) 1.437 1.293 ( -0.000 1.617 -1.189) 2.008 1.420 ( 0.000 -0.026 3.597) 3.597 1.927 ( 0.000 4.197 1.130) 4.347 1.931 ( 0.000 -9.255 0.259) 9.258 2.984 ( -0.000 -16.121 -1.373) 16.179 3.780 ( 0.000 -0.361 0.302) 0.470 3.888 ( -0.000 -1.865 -0.646) 1.974 4.031 ( -0.000 1.094 -2.528) 2.755 4.193 ( -0.000 2.641 -4.507) 5.224 4.470 ( 0.000 -1.015 6.738) 6.814 5.171 ( 0.000 7.214 0.832) 7.262======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( -0.808 -2.416 -0.587) 2.615 1.271 ( -1.720 -1.492 -2.026) 3.047 1.400 ( -1.897 -1.308 1.473) 2.735 1.853 ( 2.096 -7.935 -0.240) 8.210 2.001 ( 2.704 1.284 1.360) 3.288 2.817 ( 2.528 -18.966 -0.555) 19.142 3.810 ( 3.230 0.217 1.541) 3.585 3.841 ( -1.985 -2.693 -1.257) 3.574 4.096 ( 5.274 -0.304 1.278) 5.435 4.214 ( 0.700 5.261 -5.430) 7.593 4.483 ( -1.302 1.598 4.896) 5.312 5.192 ( -5.531 6.295 0.972) 8.436======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( -2.575 -8.157 -4.842) 9.830 1.231 ( -0.402 -1.080 -0.454) 1.238 1.363 ( -1.045 -1.844 2.878) 3.574 1.828 ( 4.173 -8.293 -0.370) 9.291 2.044 ( 1.552 -0.259 0.142) 1.580 2.715 ( 7.267 -17.866 0.621) 19.297 3.777 ( -1.452 -2.486 -0.607) 2.942 3.886 ( 4.253 -0.968 1.641) 4.660 4.136 ( 0.964 -1.560 -0.365) 1.870 4.332 ( 5.427 6.748 -1.108) 8.731 4.470 ( -4.300 2.393 1.520) 5.151 5.134 ( -7.764 6.051 2.139) 10.073======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( -0.000 -2.972 -1.219) 3.212 1.245 ( -0.000 -5.056 -3.044) 5.902 1.403 ( -0.000 -2.324 -1.410) 2.718 1.715 ( -0.000 -11.212 -0.849) 11.244 2.033 ( 0.000 3.914 2.952) 4.902 2.569 ( -0.000 -23.590 -0.483) 23.594 3.778 ( 0.000 -0.164 0.273) 0.319 3.849 ( 0.000 -1.567 0.074) 1.568 4.043 ( 0.000 -0.533 2.566) 2.620 4.247 ( -0.000 6.314 -4.673) 7.855 4.540 ( 0.000 4.004 3.700) 5.452 5.306 ( 0.000 5.673 0.490) 5.694======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( -5.825 -9.287 -6.741) 12.870 1.190 ( 1.604 -5.038 -1.668) 5.544 1.360 ( -0.484 -3.275 0.376) 3.332 1.648 ( 4.277 -10.055 -0.983) 10.971 2.065 ( -0.738 2.161 2.074) 3.085 2.379 ( 6.302 -23.569 0.216) 24.398 3.772 ( -0.896 -2.162 -1.751) 2.923 3.837 ( 1.207 0.562 2.144) 2.524 4.074 ( 2.805 -2.486 1.151) 3.921 4.337 ( 2.999 8.479 -0.266) 8.997 4.574 ( -2.496 4.950 1.049) 5.642 5.312 ( -5.186 5.001 0.715) 7.240======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( -0.000 -9.157 -6.505) 11.232 1.053 ( -0.000 -10.570 -7.425) 12.917 1.311 ( -0.000 -6.613 -0.573) 6.638 1.510 ( -0.000 -7.872 -0.190) 7.874 2.064 ( 0.000 -21.497 2.437) 21.635 2.102 ( 0.000 -2.510 -0.013) 2.510 3.760 ( -0.000 -1.604 -0.586) 1.708 3.844 ( 0.000 0.779 1.376) 1.582 4.027 ( 0.000 -2.334 1.568) 2.812 4.400 ( 0.000 9.068 3.054) 9.569 4.652 ( -0.000 5.718 -0.667) 5.757 5.405 ( -0.000 4.272 -0.765) 4.340======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.371 ( 0.000 -0.000 18.978) 18.978 0.371 ( 0.000 -0.000 18.978) 18.978 0.594 ( 0.000 -0.000 31.247) 31.247 1.326 ( -0.000 0.000 -1.912) 1.912 1.326 ( -0.000 0.000 -1.912) 1.912 2.815 ( -0.000 0.000 -9.120) 9.120 3.693 ( 0.000 -0.000 0.949) 0.949 3.693 ( 0.000 -0.000 0.949) 0.949 3.909 ( -0.000 0.000 -1.120) 1.120 3.909 ( -0.000 0.000 -1.120) 1.120 4.852 ( 0.000 -0.000 1.770) 1.770 5.754 ( -0.000 0.000 -0.314) 0.314======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.347 ( 2.440 1.408 14.338) 14.612 0.399 ( -0.947 -0.546 19.204) 19.235 1.029 ( 18.028 10.408 18.553) 27.885 1.343 ( 1.642 0.948 -1.602) 2.483 1.402 ( 7.142 4.124 -2.731) 8.688 2.319 ( -16.312 -9.418 7.848) 20.405 3.699 ( 0.416 0.240 0.891) 1.012 3.908 ( -0.267 -0.154 -0.913) 0.963 3.918 ( 1.864 1.076 -0.801) 2.297 4.277 ( 21.068 12.163 -22.780) 33.328 4.874 ( 1.087 0.628 1.710) 2.121 5.579 ( -11.809 -6.818 2.893) 13.940======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.511 ( 6.019 3.475 6.314) 9.390 0.538 ( 9.844 5.683 5.475) 12.616 1.310 ( 3.790 2.188 2.973) 5.291 1.395 ( 3.383 1.953 -0.990) 4.030 1.708 ( 17.382 10.036 3.116) 20.311 2.118 ( -3.610 -2.084 1.455) 4.416 3.716 ( 0.796 0.459 0.517) 1.054 3.894 ( -0.651 -0.376 -0.664) 1.003 3.988 ( 3.981 2.298 1.132) 4.734 4.494 ( 5.481 3.164 -12.339) 13.867 4.868 ( -4.047 -2.337 5.413) 7.151 5.308 ( -10.137 -5.853 -4.399) 12.504======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.679 ( 7.732 4.464 -3.189) 9.480 0.786 ( 9.810 5.664 0.812) 11.356 1.334 ( -0.870 -0.502 -1.416) 1.736 1.503 ( 6.210 3.586 -0.208) 7.174 2.006 ( 5.327 3.076 -4.223) 7.462 2.223 ( 13.480 7.783 4.605) 16.232 3.738 ( 1.027 0.593 0.045) 1.187 3.878 ( -0.511 -0.295 -0.340) 0.681 4.090 ( 3.697 2.135 1.916) 4.680 4.535 ( 0.799 0.461 -4.713) 4.803 4.671 ( -13.603 -7.854 7.624) 17.460 5.131 ( -3.232 -1.866 -10.053) 10.723======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.857 ( 9.179 5.300 -6.592) 12.482 0.974 ( 6.339 3.660 -1.413) 7.455 1.291 ( -1.915 -1.106 -1.788) 2.844 1.683 ( 9.069 5.236 0.019) 10.472 2.081 ( 2.784 1.607 -1.536) 3.563 2.579 ( 14.602 8.430 0.866) 16.883 3.763 ( 1.105 0.638 -0.228) 1.296 3.870 ( -0.060 -0.034 0.059) 0.091 4.110 ( -5.473 -3.160 0.057) 6.320 4.335 ( -10.551 -6.092 5.406) 13.329 4.582 ( 2.155 1.244 -2.674) 3.653 5.054 ( -1.743 -1.006 -6.271) 6.586======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 8.296 4.790 -5.726) 11.160 1.079 ( 3.426 1.978 -2.001) 4.433 1.263 ( 1.133 0.654 -0.968) 1.627 1.899 ( 8.911 5.145 -0.556) 10.304 2.110 ( -0.625 -0.361 -0.084) 0.726 2.884 ( 11.254 6.498 0.305) 12.999 3.786 ( 0.912 0.527 -0.300) 1.095 3.830 ( -13.627 -7.867 1.262) 15.785 3.875 ( 0.324 0.187 0.573) 0.684 4.249 ( -1.241 -0.716 0.103) 1.437 4.644 ( 3.476 2.007 -1.136) 4.171 4.998 ( -2.110 -1.218 -2.386) 3.410======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( 1.762 1.017 -1.923) 2.799 1.133 ( 0.925 0.534 -2.757) 2.957 1.398 ( 9.221 5.324 -3.395) 11.176 2.035 ( -5.678 -3.278 0.058) 6.557 2.070 ( 5.637 3.254 -1.044) 6.592 3.093 ( 6.220 3.591 1.311) 7.301 3.601 ( -5.814 -3.356 4.411) 8.033 3.801 ( 0.404 0.234 -0.217) 0.515 3.886 ( 0.369 0.213 0.985) 1.073 4.225 ( -0.714 -0.412 -0.930) 1.243 4.734 ( 4.573 2.640 -1.050) 5.383 4.930 ( -3.568 -2.060 -0.907) 4.218======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( 1.568 0.905 -0.751) 1.960 1.154 ( 0.670 0.387 -1.597) 1.775 1.558 ( 3.782 2.183 -6.309) 7.673 1.898 ( -3.887 -2.244 0.326) 4.500 2.141 ( 0.614 0.354 -0.949) 1.185 3.177 ( 0.737 0.426 2.139) 2.302 3.592 ( 2.458 1.419 9.294) 9.718 3.803 ( -0.190 -0.109 -0.072) 0.230 3.895 ( 0.055 0.032 1.062) 1.064 4.211 ( -0.216 -0.125 -1.113) 1.140 4.819 ( -5.203 -3.004 -0.838) 6.066 4.853 ( 5.541 3.199 -1.297) 6.529======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -0.271 -0.157 -0.990) 1.038 1.204 ( 2.668 1.540 1.184) 3.301 1.508 ( -4.824 -2.785 -1.065) 5.671 1.912 ( 3.932 2.270 -4.053) 6.086 2.090 ( -4.769 -2.753 -0.331) 5.517 3.139 ( -5.082 -2.934 3.189) 6.678 3.735 ( 6.658 3.844 10.106) 12.698 3.794 ( -0.431 -0.249 -0.114) 0.511 3.893 ( -0.535 -0.309 0.918) 1.106 4.202 ( -0.454 -0.262 -1.654) 1.735 4.680 ( -5.346 -3.086 -3.830) 7.265 4.997 ( 6.407 3.699 1.472) 7.543======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( -1.517 -0.876 0.120) 1.755 1.255 ( 0.149 0.086 2.841) 2.846 1.411 ( -3.075 -1.775 4.076) 5.406 1.928 ( -8.845 -5.106 0.519) 10.226 1.994 ( 3.961 2.287 -5.077) 6.834 2.943 ( -12.813 -7.398 2.672) 15.035 3.785 ( -0.255 -0.147 -0.250) 0.386 3.876 ( -1.111 -0.641 0.541) 1.392 3.945 ( 8.733 5.042 5.829) 11.647 4.171 ( -1.707 -0.985 -1.630) 2.558 4.577 ( -1.876 -1.083 -4.439) 4.939 5.152 ( 6.217 3.589 2.875) 7.733======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.077 ( -3.924 -2.266 2.317) 5.089 1.201 ( -5.487 -3.168 6.214) 8.875 1.383 ( -1.561 -0.901 2.660) 3.213 1.706 ( -9.772 -5.642 1.010) 11.328 2.060 ( 2.722 1.571 -2.812) 4.217 2.565 ( -19.598 -11.315 0.300) 22.632 3.780 ( -0.361 -0.208 -0.009) 0.417 3.850 ( -0.888 -0.513 -0.326) 1.076 4.078 ( -0.672 -0.388 -4.624) 4.688 4.205 ( 7.579 4.375 4.070) 9.651 4.571 ( 2.176 1.256 -2.835) 3.788 5.296 ( 5.209 3.008 2.618) 6.560======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( 0.000 10.130 7.813) 12.793 0.693 ( 0.000 10.768 14.878) 18.366 0.994 ( 0.000 13.877 23.941) 27.672 1.318 ( -0.000 1.314 -2.998) 3.273 1.401 ( -0.000 7.595 -2.322) 7.942 2.348 ( 0.000 -18.273 4.742) 18.878 3.710 ( 0.000 0.886 0.983) 1.324 3.879 ( -0.000 -1.431 -1.463) 2.047 3.923 ( -0.000 2.420 -1.636) 2.921 4.184 ( -0.000 21.160 -17.795) 27.648 4.876 ( 0.000 0.496 1.832) 1.898 5.613 ( 0.000 -10.205 1.324) 10.291======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( 2.578 15.758 0.422) 15.973 0.708 ( -9.762 12.127 15.825) 22.199 1.260 ( 4.635 3.360 5.574) 7.990 1.379 ( 3.495 4.369 -0.064) 5.595 1.579 ( 10.853 13.429 2.898) 17.508 2.161 ( -4.625 -6.769 0.830) 8.240 3.721 ( -0.100 1.231 1.087) 1.645 3.870 ( 1.103 -1.863 -1.426) 2.592 3.968 ( 2.201 3.026 0.188) 3.746 4.369 ( 7.170 6.372 -13.170) 16.293 4.880 ( -0.004 -2.559 2.923) 3.885 5.423 ( -9.476 -7.738 -1.737) 12.357======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.710 ( -2.370 10.556 5.751) 12.253 0.802 ( 1.669 14.570 1.699) 14.763 1.315 ( 1.141 -0.819 -1.069) 1.765 1.478 ( 2.824 6.235 -0.477) 6.861 1.924 ( 8.761 8.900 -2.294) 12.697 2.132 ( 6.026 4.130 3.299) 8.015 3.738 ( 0.104 1.336 1.061) 1.710 3.867 ( 0.891 -1.314 -1.311) 2.059 4.057 ( 3.623 3.044 1.921) 5.107 4.465 ( 4.442 0.244 -7.437) 8.666 4.797 ( -6.273 -8.818 6.939) 12.856 5.179 ( -8.685 -2.683 -8.311) 12.317======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( 1.529 8.685 1.735) 8.988 0.972 ( 2.694 10.796 -2.588) 11.424 1.295 ( -0.904 -1.862 -1.727) 2.695 1.626 ( 5.708 8.426 0.040) 10.178 2.038 ( 3.329 2.413 -2.311) 4.716 2.437 ( 13.347 11.186 1.439) 17.474 3.755 ( 0.200 0.602 0.901) 1.102 3.869 ( 0.522 0.079 -1.189) 1.301 4.133 ( 0.935 0.935 0.975) 1.642 4.497 ( -3.903 -3.947 2.391) 6.044 4.542 ( -6.540 -5.538 -0.533) 8.586 5.044 ( -2.309 -1.922 -7.272) 7.869======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( 5.215 6.520 0.298) 8.354 1.095 ( 1.707 8.051 -3.421) 8.912 1.257 ( -0.395 -0.869 -1.015) 1.393 1.830 ( 6.977 8.816 -0.128) 11.244 2.101 ( 1.776 1.221 -0.462) 2.204 2.765 ( 11.537 9.609 0.076) 15.015 3.750 ( -0.630 -2.864 0.767) 3.031 3.880 ( 0.289 1.431 -0.999) 1.768 4.046 ( -11.074 -1.487 0.872) 11.208 4.283 ( -5.183 -1.752 0.535) 5.497 4.580 ( 4.343 0.030 -1.526) 4.604 4.983 ( -0.193 -3.413 -2.903) 4.485======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 3.143 2.271 -1.150) 4.045 1.152 ( -0.491 2.554 -1.945) 3.248 1.320 ( 5.476 5.847 -1.135) 8.091 2.001 ( 3.391 2.154 -0.034) 4.017 2.118 ( -1.069 4.723 -1.161) 4.980 3.020 ( 7.969 6.161 1.225) 10.147 3.649 ( -4.406 -6.347 1.891) 7.955 3.898 ( -3.303 2.175 2.622) 4.745 3.901 ( -3.560 5.574 -1.090) 6.703 4.228 ( -1.026 -0.972 -1.363) 1.964 4.657 ( 4.999 0.254 -1.887) 5.349 4.936 ( -0.795 -4.055 -0.325) 4.145======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( 1.519 0.496 -1.990) 2.552 1.163 ( 0.006 1.821 -0.748) 1.969 1.474 ( 5.478 3.518 -3.765) 7.520 1.945 ( -4.397 -4.174 0.195) 6.066 2.192 ( -0.939 8.862 -1.795) 9.090 3.163 ( 2.971 2.045 2.287) 4.271 3.586 ( 1.055 -1.134 6.320) 6.507 3.874 ( -3.720 4.462 2.991) 6.534 3.921 ( -0.987 3.774 -0.688) 3.961 4.205 ( -0.032 -0.887 -1.306) 1.579 4.752 ( 6.573 -0.115 -2.506) 7.036 4.859 ( -3.278 -4.092 0.030) 5.243======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 1.484 0.367 -1.732) 2.310 1.184 ( 0.957 1.540 0.473) 1.874 1.508 ( -0.383 -3.015 -4.342) 5.300 1.873 ( -0.032 -0.428 -0.560) 0.706 2.204 ( -5.926 5.953 -1.431) 8.520 3.186 ( -1.713 -1.280 2.971) 3.661 3.679 ( 5.465 1.884 7.270) 9.289 3.863 ( -3.188 3.042 4.065) 5.995 3.938 ( -1.891 5.125 -0.118) 5.464 4.197 ( 0.172 -0.539 -1.449) 1.555 4.722 ( -4.833 -4.774 -3.808) 7.788 4.889 ( 7.819 0.227 0.660) 7.850======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -0.862 -0.490 -0.582) 1.149 1.235 ( 2.536 0.188 1.821) 3.128 1.436 ( -1.722 -3.426 0.194) 3.839 1.900 ( 2.908 -0.596 -2.685) 4.003 2.103 ( -9.723 3.042 -0.963) 10.233 3.083 ( -8.463 -4.331 2.756) 9.898 3.804 ( 2.441 3.027 -0.362) 3.905 3.850 ( -1.156 -0.524 5.363) 5.511 3.982 ( 0.027 8.381 3.848) 9.222 4.182 ( -0.932 -0.546 -1.802) 2.101 4.584 ( -3.470 -3.545 -4.838) 6.930 5.041 ( 8.912 -0.408 1.564) 9.057======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( -2.647 -3.901 2.182) 5.195 1.250 ( -0.942 -1.831 2.456) 3.205 1.399 ( -0.604 -1.389 1.504) 2.135 1.851 ( -8.785 -2.300 0.247) 9.085 2.020 ( 0.710 2.064 -2.564) 3.367 2.809 ( -17.256 -6.499 1.085) 18.471 3.808 ( -2.381 0.691 1.812) 3.071 3.844 ( -0.218 -0.360 -1.768) 1.817 4.113 ( -0.994 6.365 -2.019) 6.751 4.166 ( 3.414 2.420 4.351) 6.037 4.525 ( 1.372 -1.386 -3.990) 4.442 5.191 ( 8.427 -1.119 1.323) 8.604======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.717 ( -0.000 18.294 -2.862) 18.517 0.955 ( 0.000 7.128 8.405) 11.020 1.319 ( 0.000 5.957 10.070) 11.700 1.359 ( -0.000 5.198 -2.571) 5.799 1.649 ( 0.000 17.567 4.094) 18.038 2.128 ( -0.000 -6.341 -1.789) 6.588 3.739 ( 0.000 1.407 0.619) 1.537 3.840 ( -0.000 -1.463 -1.156) 1.865 3.969 ( -0.000 2.608 -0.396) 2.638 4.339 ( -0.000 5.360 -8.089) 9.704 4.851 ( 0.000 -5.478 3.198) 6.343 5.422 ( -0.000 -7.193 -4.249) 8.355======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( -0.994 14.859 -3.705) 15.346 0.992 ( -4.003 7.929 6.253) 10.863 1.320 ( -2.429 2.206 1.049) 3.445 1.491 ( 3.789 6.662 -0.267) 7.669 1.911 ( 5.122 14.849 0.478) 15.714 2.092 ( 2.985 2.087 0.504) 3.677 3.762 ( 0.171 2.104 1.244) 2.451 3.823 ( 0.738 -1.747 -1.532) 2.438 4.031 ( 3.444 2.678 1.134) 4.508 4.381 ( 2.679 0.983 -4.575) 5.392 4.776 ( -1.327 -10.038 4.086) 10.919 5.277 ( -7.235 -3.664 -7.260) 10.884======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.942 ( -3.160 9.467 0.718) 10.006 1.061 ( -0.454 10.192 -1.130) 10.264 1.291 ( -1.644 -0.842 -0.509) 1.916 1.636 ( 4.108 9.553 -0.120) 10.399 2.013 ( 1.879 3.144 -1.914) 4.133 2.356 ( 10.784 14.752 1.233) 18.314 3.775 ( -1.004 0.847 1.418) 1.933 3.837 ( 2.304 -0.114 -1.953) 3.023 4.121 ( 2.627 2.042 1.551) 3.672 4.422 ( 3.797 -1.445 -1.750) 4.423 4.618 ( -5.752 -11.237 3.308) 13.050 5.089 ( -7.587 -1.537 -7.806) 10.993======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( -0.319 8.829 3.702) 9.579 1.150 ( 0.558 8.433 -3.390) 9.106 1.251 ( -0.912 -1.448 -0.752) 1.869 1.822 ( 5.232 9.922 0.060) 11.217 2.083 ( 2.603 3.182 0.587) 4.153 2.684 ( 10.222 12.885 -0.825) 16.468 3.755 ( -1.807 -1.622 1.249) 2.731 3.871 ( 1.740 1.169 -2.815) 3.510 4.138 ( -2.182 -0.556 0.034) 2.252 4.400 ( -8.256 -4.527 1.388) 9.517 4.492 ( 4.732 -0.611 -0.131) 4.773 4.950 ( -2.984 -3.720 -4.542) 6.585======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( -0.495 6.135 3.698) 7.180 1.181 ( -1.233 0.666 -0.884) 1.657 1.299 ( 4.040 6.664 -1.415) 7.920 1.973 ( 2.890 2.786 0.468) 4.041 2.177 ( 1.867 8.869 0.056) 9.063 2.954 ( 8.123 8.563 0.098) 11.804 3.672 ( -4.175 -4.017 0.272) 5.800 3.905 ( 1.461 1.538 -2.680) 3.417 4.069 ( -4.723 1.615 1.450) 5.198 4.268 ( -5.458 1.201 -0.714) 5.634 4.569 ( 4.245 -0.333 -0.866) 4.345 4.879 ( 0.832 -5.526 -0.958) 5.670======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( -1.364 1.763 0.225) 2.240 1.185 ( -0.269 2.486 0.561) 2.562 1.432 ( 3.538 4.576 -0.766) 5.835 1.966 ( -2.334 -3.289 0.649) 4.085 2.315 ( -0.202 13.516 -1.722) 13.626 3.130 ( 4.649 3.322 1.998) 6.053 3.587 ( -1.274 -1.204 2.273) 2.870 3.929 ( 0.119 1.138 -0.712) 1.348 4.047 ( -2.906 6.102 2.022) 7.055 4.203 ( -2.911 0.392 -1.239) 3.188 4.631 ( 4.743 -1.401 -2.567) 5.573 4.841 ( 0.328 -5.014 0.396) 5.040======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 0.423 1.108 -0.790) 1.425 1.204 ( -0.767 2.311 0.833) 2.573 1.474 ( -0.105 -1.421 -2.409) 2.799 1.889 ( -2.442 -1.587 0.602) 2.974 2.390 ( -5.617 11.312 -2.025) 12.791 3.195 ( 0.652 -0.574 2.808) 2.939 3.636 ( 4.156 2.655 4.651) 6.779 3.926 ( -1.251 0.417 0.974) 1.639 4.083 ( -3.819 9.925 2.091) 10.838 4.168 ( 0.570 -2.006 -1.345) 2.482 4.676 ( 3.254 -4.903 -4.059) 7.148 4.799 ( 0.806 -2.285 0.853) 2.569======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( 0.614 1.007 -1.096) 1.610 1.211 ( -0.020 0.049 1.870) 1.870 1.421 ( -1.160 -3.155 -1.305) 3.606 1.866 ( 0.249 0.027 0.003) 0.251 2.327 ( -10.809 6.198 -1.197) 12.517 3.162 ( -3.780 -2.551 2.326) 5.119 3.776 ( 4.876 4.766 2.505) 7.264 3.901 ( -2.096 -0.268 0.962) 2.322 4.111 ( -3.291 6.971 3.209) 8.351 4.177 ( 0.730 1.495 -1.059) 1.972 4.590 ( -3.347 -5.514 -4.366) 7.789 4.870 ( 8.114 -2.414 0.677) 8.493======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( -3.241 -2.311 1.697) 4.327 1.227 ( 1.765 -1.394 0.938) 2.436 1.389 ( 0.011 -1.274 -0.344) 1.319 1.884 ( 1.070 0.153 -0.027) 1.082 2.156 ( -12.013 2.200 -0.194) 12.214 3.012 ( -10.957 -3.424 0.743) 11.503 3.834 ( -1.735 -1.992 0.690) 2.730 3.891 ( -1.026 5.056 -1.865) 5.486 4.142 ( 1.709 -0.922 1.753) 2.616 4.215 ( -1.626 9.430 1.748) 9.728 4.482 ( -1.030 -3.853 -3.702) 5.442 5.003 ( 9.950 -3.443 0.082) 10.530======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( -0.000 13.772 -5.019) 14.659 1.067 ( 0.000 1.831 0.671) 1.950 1.402 ( 0.000 -0.066 0.614) 0.617 1.510 ( -0.000 10.027 -0.320) 10.032 1.994 ( -0.000 3.719 -3.612) 5.184 2.136 ( 0.000 17.349 4.284) 17.870 3.771 ( 0.000 1.080 0.725) 1.301 3.815 ( -0.000 0.052 -0.994) 0.996 4.020 ( 0.000 2.054 1.680) 2.654 4.362 ( -0.000 0.284 -1.032) 1.071 4.685 ( 0.000 -12.061 2.360) 12.289 5.284 ( -0.000 -2.908 -7.845) 8.366======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( -1.891 4.052 -2.845) 5.300 1.140 ( 0.782 8.300 -3.807) 9.165 1.343 ( -3.826 -0.863 -0.779) 3.999 1.659 ( 4.131 9.943 -0.388) 10.774 2.007 ( 1.266 1.158 -1.382) 2.203 2.399 ( 4.674 20.516 1.610) 21.103 3.786 ( 0.488 -0.937 -0.808) 1.330 3.817 ( -0.007 2.427 0.649) 2.513 4.087 ( 3.848 1.787 2.229) 4.792 4.361 ( 0.900 -2.027 0.387) 2.251 4.557 ( -1.063 -11.585 0.702) 11.655 5.179 ( -5.994 -1.884 -7.346) 9.667======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 1.212 4.564 -0.703) 4.774 1.212 ( 0.278 7.248 -3.814) 8.195 1.273 ( -2.798 -1.128 0.029) 3.017 1.834 ( 4.396 8.973 -0.075) 9.992 2.068 ( 3.666 2.869 1.437) 4.872 2.686 ( 5.906 17.057 -1.036) 18.080 3.774 ( -0.998 -0.620 -0.070) 1.177 3.843 ( 0.779 0.806 -1.541) 1.906 4.155 ( 0.465 0.632 0.397) 0.880 4.363 ( 3.845 -5.856 0.351) 7.014 4.456 ( -0.555 -3.377 1.457) 3.720 5.010 ( -8.072 -2.272 -5.435) 9.993======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.168 ( 2.202 3.105 2.238) 4.415 1.213 ( -3.030 0.597 1.334) 3.364 1.303 ( 2.836 7.123 -2.437) 8.045 1.956 ( 2.238 2.260 1.089) 3.362 2.216 ( 5.601 9.560 1.361) 11.164 2.928 ( 5.465 11.427 -1.177) 12.721 3.714 ( -4.141 -1.931 -1.241) 4.735 3.862 ( 2.237 -0.174 -3.401) 4.075 4.122 ( -2.531 -0.963 0.073) 2.709 4.364 ( -0.341 -0.001 0.273) 0.437 4.495 ( 4.046 0.255 1.745) 4.413 4.844 ( -4.906 -4.199 -2.774) 7.028======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -1.546 -0.887 0.043) 1.783 1.237 ( -0.710 4.491 2.545) 5.211 1.423 ( 3.026 4.530 0.465) 5.468 1.969 ( -0.822 -2.095 1.346) 2.622 2.433 ( 3.856 14.747 0.078) 15.243 3.090 ( 4.058 4.404 0.418) 6.003 3.621 ( -3.247 -0.525 -1.405) 3.577 3.894 ( 2.960 -0.677 -3.616) 4.722 4.081 ( -0.901 -1.159 1.775) 2.304 4.347 ( -5.405 5.728 1.173) 7.963 4.556 ( 2.467 -0.440 -1.130) 2.749 4.761 ( 1.462 -5.359 -0.469) 5.575======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -0.674 0.090 0.033) 0.681 1.264 ( -1.758 3.833 2.029) 4.680 1.465 ( -0.472 -1.025 -0.343) 1.180 1.918 ( -2.331 -1.635 0.860) 2.974 2.600 ( -3.147 14.885 -1.050) 15.250 3.164 ( 2.617 -1.406 1.959) 3.559 3.619 ( 2.054 3.073 1.361) 3.939 3.917 ( 1.906 -1.458 -3.421) 4.179 4.082 ( 2.142 -2.270 1.671) 3.540 4.309 ( -6.827 8.232 2.246) 10.928 4.571 ( 1.970 -2.857 -2.446) 4.246 4.753 ( 2.036 -3.551 -0.250) 4.101======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 0.727 0.605 -0.183) 0.963 1.259 ( -3.255 1.704 2.280) 4.324 1.412 ( -1.581 -2.887 -0.595) 3.345 1.880 ( -1.310 -0.120 0.936) 1.615 2.590 ( -10.965 8.578 -0.816) 13.946 3.176 ( 0.271 -2.534 1.751) 3.092 3.747 ( 5.442 6.019 2.036) 8.366 3.907 ( 0.224 -1.890 -3.271) 3.784 4.099 ( 2.334 -3.669 -0.242) 4.355 4.312 ( -4.281 9.913 3.776) 11.440 4.541 ( 0.253 -5.994 -2.623) 6.548 4.758 ( 2.443 -1.905 -0.501) 3.139======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.164 ( -0.101 0.809 -0.059) 0.817 1.197 ( -2.585 -2.526 2.260) 4.263 1.383 ( -0.322 -0.328 0.400) 0.609 1.877 ( 0.373 0.580 1.419) 1.577 2.415 ( -14.315 2.577 0.164) 14.546 3.122 ( -4.608 -2.018 0.335) 5.041 3.840 ( -0.844 -2.308 -1.249) 2.757 3.925 ( 2.765 6.330 -3.049) 7.550 4.089 ( 1.726 -3.914 -0.128) 4.280 4.363 ( -3.007 9.171 3.172) 10.159 4.454 ( -1.698 -5.842 -1.338) 6.229 4.815 ( 6.867 -2.395 -0.856) 7.323======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.077 ( -0.000 0.309 -2.229) 2.251 1.201 ( -0.000 7.836 -7.298) 10.708 1.344 ( -0.000 -3.724 -3.691) 5.243 1.721 ( -0.000 10.533 -0.541) 10.547 1.993 ( 0.000 -0.218 0.467) 0.515 2.587 ( 0.000 21.804 0.671) 21.814 3.777 ( 0.000 -0.346 0.236) 0.419 3.844 ( -0.000 2.669 -0.218) 2.678 4.071 ( 0.000 1.058 4.016) 4.153 4.325 ( -0.000 -4.876 -1.546) 5.115 4.462 ( 0.000 -7.646 0.830) 7.691 5.190 ( -0.000 -2.367 -6.479) 6.898======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( 1.050 1.096 -2.147) 2.629 1.243 ( 1.328 2.753 -8.071) 8.631 1.294 ( -1.279 -0.407 -0.671) 1.501 1.854 ( 3.162 8.817 -0.482) 9.380 2.019 ( 3.366 -0.136 2.112) 3.976 2.808 ( 1.420 18.811 -1.023) 18.893 3.777 ( 0.132 0.214 -0.039) 0.254 3.861 ( -1.182 1.703 -0.386) 2.108 4.124 ( 3.709 -0.388 3.172) 4.896 4.249 ( 0.120 -6.282 -5.628) 8.435 4.431 ( 0.777 -1.645 3.977) 4.373 5.096 ( -5.417 -2.834 -4.909) 7.840======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 3.395 1.023 0.595) 3.595 1.242 ( 0.653 -1.224 -1.800) 2.272 1.321 ( 1.490 5.374 -2.082) 5.953 1.949 ( 1.229 1.487 1.848) 2.671 2.162 ( 9.245 5.893 0.489) 10.975 2.995 ( 1.426 13.595 -1.427) 13.744 3.762 ( -2.903 -0.101 -2.511) 3.839 3.839 ( -0.767 0.338 -0.784) 1.148 4.154 ( -2.029 -0.391 -0.866) 2.241 4.244 ( 8.278 -3.872 -2.080) 9.373 4.468 ( 1.705 1.226 4.064) 4.575 4.931 ( -8.049 -2.920 -2.833) 9.019======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 0.033 -1.448 0.054) 1.449 1.274 ( 1.818 2.370 0.363) 3.009 1.414 ( 3.026 3.546 0.962) 4.760 1.961 ( 0.061 -1.785 1.804) 2.538 2.429 ( 11.339 9.850 0.339) 15.023 3.111 ( 0.024 7.094 -0.786) 7.137 3.675 ( -4.150 0.117 -4.691) 6.264 3.843 ( 0.522 -0.041 -0.320) 0.614 4.104 ( -2.295 -0.843 0.339) 2.468 4.369 ( 7.523 0.004 -0.743) 7.560 4.519 ( 1.408 0.830 1.675) 2.341 4.764 ( -6.664 -2.266 -0.832) 7.088======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -0.437 -0.684 -0.006) 0.812 1.323 ( 0.381 2.979 0.717) 3.088 1.459 ( -0.030 -1.402 0.939) 1.687 1.936 ( -1.111 -1.641 0.679) 2.095 2.725 ( 7.836 12.778 0.520) 14.998 3.125 ( -1.598 -0.938 -0.116) 1.856 3.634 ( -0.225 3.045 -1.937) 3.615 3.844 ( 1.132 -2.199 -1.497) 2.891 4.066 ( -1.165 -1.161 1.467) 2.204 4.463 ( 0.141 4.019 1.142) 4.181 4.533 ( 0.005 -1.216 -1.215) 1.719 4.679 ( 0.167 -2.063 -0.083) 2.072======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 0.073 -0.093 0.008) 0.119 1.344 ( -2.481 2.357 1.643) 3.796 1.405 ( -1.402 -3.729 -0.251) 3.992 1.904 ( -1.312 -0.610 0.576) 1.557 2.862 ( -8.699 10.064 0.149) 13.303 3.098 ( 4.802 -5.424 0.489) 7.261 3.726 ( 4.615 6.657 1.016) 8.164 3.830 ( 2.082 -4.009 -4.057) 6.072 4.047 ( 0.074 -2.003 1.464) 2.482 4.481 ( -3.566 6.236 2.853) 7.730 4.488 ( -1.182 -4.190 -1.265) 4.533 4.699 ( 2.743 -1.165 -1.304) 3.253======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( 1.081 -0.007 -0.088) 1.085 1.266 ( -4.928 -2.330 1.530) 5.662 1.396 ( -0.136 1.243 1.435) 1.904 1.886 ( -0.451 -0.139 1.223) 1.311 2.690 ( -14.415 0.650 0.785) 14.451 3.134 ( 1.272 -1.457 -0.213) 1.946 3.786 ( 1.411 -5.497 -3.411) 6.622 3.917 ( 5.349 8.620 -2.249) 10.391 4.029 ( 0.337 -3.303 0.484) 3.356 4.402 ( -1.548 -7.136 -0.029) 7.302 4.510 ( -2.070 6.973 3.382) 8.021 4.726 ( 2.164 -0.081 -1.746) 2.782======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( -0.000 0.382 -1.730) 1.771 1.183 ( -0.000 -3.263 -8.964) 9.539 1.316 ( -0.000 2.435 -1.403) 2.810 1.912 ( -0.000 8.679 -0.846) 8.720 1.983 ( 0.000 -2.414 3.766) 4.474 2.973 ( -0.000 16.133 -1.945) 16.250 3.774 ( -0.000 0.097 -0.051) 0.109 3.899 ( -0.000 2.509 0.030) 2.509 4.063 ( -0.000 -4.573 -1.052) 4.693 4.201 ( -0.000 -0.495 -5.267) 5.290 4.433 ( 0.000 0.545 6.321) 6.345 5.094 ( -0.000 -4.129 -3.903) 5.682======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 2.476 0.851 0.125) 2.621 1.162 ( 3.590 -3.003 -4.969) 6.826 1.340 ( 0.630 2.721 -0.997) 2.966 1.953 ( -0.286 -0.900 2.852) 3.004 2.063 ( 7.043 4.838 0.098) 8.545 3.108 ( 0.168 11.402 -2.177) 11.609 3.785 ( 0.156 0.770 -1.489) 1.684 3.882 ( -3.027 1.126 -0.923) 3.359 4.065 ( 5.909 -2.586 -4.734) 8.001 4.181 ( -1.439 0.150 -1.607) 2.162 4.481 ( 0.769 2.859 6.318) 6.977 4.998 ( -4.320 -4.624 -2.442) 6.783======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( 1.524 -1.098 0.078) 1.880 1.218 ( 5.221 0.252 -1.794) 5.526 1.396 ( 2.580 2.116 1.396) 3.617 1.943 ( 0.271 -2.492 1.930) 3.164 2.284 ( 12.229 5.305 0.110) 13.330 3.190 ( -0.572 6.539 -1.651) 6.769 3.737 ( -4.218 1.143 -6.770) 8.058 3.870 ( -1.166 1.754 2.548) 3.305 4.139 ( -1.772 -0.014 -1.474) 2.305 4.180 ( 9.585 -1.545 -1.955) 9.904 4.534 ( -0.202 2.471 3.872) 4.597 4.858 ( -5.951 -3.206 -0.716) 6.798======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 0.300 -0.630 -0.074) 0.701 1.301 ( 3.937 0.814 -1.638) 4.341 1.443 ( 0.775 -1.317 1.832) 2.386 1.926 ( 0.156 -1.998 0.089) 2.006 2.582 ( 15.443 4.255 0.689) 16.033 3.197 ( -3.568 2.125 -1.297) 4.350 3.677 ( -2.087 3.393 -4.468) 5.986 3.857 ( -2.698 0.331 2.769) 3.880 4.094 ( -2.514 -0.336 0.426) 2.572 4.353 ( 10.730 -0.243 -2.287) 10.973 4.538 ( -1.586 -0.025 1.130) 1.948 4.740 ( -5.126 -0.465 0.858) 5.218======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -0.123 0.005 -0.003) 0.123 1.358 ( 2.548 -0.507 -1.351) 2.928 1.403 ( -2.421 -2.743 0.282) 3.670 1.909 ( -0.230 -1.143 -0.515) 1.275 2.864 ( 13.566 -1.997 -0.204) 13.713 3.101 ( -7.988 1.131 -0.332) 8.075 3.732 ( 2.978 7.528 -0.062) 8.096 3.802 ( -3.249 -1.817 1.504) 4.015 4.051 ( -1.784 -0.962 0.417) 2.069 4.485 ( -2.881 -2.973 -0.651) 4.191 4.504 ( 6.319 0.827 -1.861) 6.639 4.684 ( -1.998 1.337 1.734) 2.964======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 0.073 0.127 -0.000) 0.147 1.301 ( -2.601 -4.505 -0.000) 5.202 1.409 ( 1.118 1.936 -0.000) 2.236 1.892 ( -0.478 -0.829 -0.000) 0.957 2.862 ( -5.791 -10.030 -0.000) 11.582 3.082 ( 2.288 3.964 -0.000) 4.577 3.723 ( -2.312 -4.005 -0.000) 4.624 3.909 ( 5.685 9.848 0.000) 11.371 4.013 ( -1.139 -1.972 -0.000) 2.277 4.378 ( -3.641 -6.307 -0.000) 7.282 4.577 ( 1.424 2.466 -0.000) 2.848 4.702 ( 1.080 1.871 0.000) 2.160======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( 0.000 0.755 0.143) 0.769 1.083 ( -0.000 -1.857 -2.351) 2.996 1.352 ( 0.000 1.519 0.149) 1.526 1.942 ( 0.000 -3.682 3.346) 4.975 2.051 ( -0.000 5.284 -0.230) 5.289 3.193 ( -0.000 7.274 -2.591) 7.721 3.780 ( 0.000 0.398 0.258) 0.474 3.936 ( -0.000 1.232 -0.650) 1.393 3.967 ( -0.000 0.399 -10.672) 10.680 4.191 ( -0.000 -0.280 -0.489) 0.564 4.540 ( 0.000 5.007 7.762) 9.237 4.973 ( -0.000 -5.891 -1.924) 6.198======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 1.837 -0.539 -0.425) 1.961 1.130 ( 4.324 1.321 0.887) 4.608 1.381 ( 1.471 1.100 2.275) 2.924 1.916 ( 0.156 -3.072 1.655) 3.493 2.155 ( 6.952 3.103 0.522) 7.631 3.240 ( -0.053 3.620 -2.353) 4.318 3.784 ( -1.326 0.968 -4.146) 4.459 3.906 ( -0.774 1.608 -0.432) 1.836 4.016 ( 5.609 0.881 -7.016) 9.026 4.174 ( -1.290 -0.443 0.472) 1.443 4.601 ( -1.496 3.593 6.817) 7.849 4.889 ( -2.527 -4.114 -1.217) 4.980======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( 1.484 0.108 -0.066) 1.490 1.222 ( 4.377 0.718 -1.041) 4.555 1.421 ( 1.130 -0.859 2.879) 3.210 1.898 ( 0.506 -1.980 -0.332) 2.070 2.355 ( 12.823 0.770 1.433) 12.926 3.244 ( -1.177 0.298 -2.092) 2.419 3.738 ( -2.601 3.021 -5.819) 7.053 3.912 ( -1.377 0.285 2.436) 2.813 4.143 ( -2.281 0.272 0.763) 2.420 4.152 ( 10.409 0.909 -4.070) 11.213 4.591 ( -3.104 -0.601 4.501) 5.500 4.811 ( -3.742 -0.039 -0.400) 3.763======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 0.294 0.791 0.084) 0.848 1.281 ( 3.322 -1.848 -2.377) 4.484 1.407 ( -0.943 -2.113 0.400) 2.348 1.891 ( 0.561 -1.006 -1.276) 1.719 2.583 ( 13.635 -4.778 0.619) 14.462 3.191 ( -3.001 -1.516 -1.452) 3.662 3.764 ( 1.654 6.928 -1.721) 7.327 3.874 ( -3.590 -1.044 3.868) 5.379 4.094 ( -3.387 -0.225 0.755) 3.478 4.346 ( 10.639 1.474 -3.416) 11.271 4.522 ( -3.954 -2.660 1.442) 4.979 4.751 ( -3.697 1.199 0.971) 4.006======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 0.000 0.858 1.703) 1.906 1.101 ( 0.000 3.425 2.481) 4.229 1.387 ( 0.000 0.874 3.946) 4.041 1.889 ( 0.000 -2.449 0.641) 2.532 2.114 ( 0.000 0.614 0.705) 0.935 3.255 ( -0.000 0.952 -2.474) 2.651 3.790 ( 0.000 0.145 0.596) 0.613 3.939 ( -0.000 -0.245 -1.424) 1.445 3.941 ( -0.000 3.760 -12.844) 13.383 4.180 ( 0.000 -0.665 0.809) 1.047 4.657 ( 0.000 -1.840 7.982) 8.192 4.886 ( -0.000 1.511 -1.305) 1.997======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 0.260 1.383 1.582) 2.117 1.181 ( 2.297 3.121 0.916) 3.982 1.414 ( 0.343 -0.078 4.630) 4.643 1.874 ( 0.223 -1.026 -0.480) 1.155 2.176 ( 7.381 -1.887 1.402) 7.746 3.240 ( -0.369 -2.187 -2.393) 3.263 3.779 ( -1.299 1.156 -3.178) 3.623 3.925 ( -0.044 -0.295 0.095) 0.313 4.002 ( 6.380 2.801 -8.549) 11.029 4.172 ( -0.723 -0.304 1.047) 1.308 4.618 ( -1.385 -6.208 6.700) 9.239 4.902 ( -3.327 6.188 -0.523) 7.045======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 1.035 1.102 0.906) 1.763 1.227 ( 0.664 0.381 -1.495) 1.680 1.407 ( -1.081 -1.609 1.559) 2.488 1.872 ( 0.332 -0.006 -1.033) 1.084 2.315 ( 11.122 -5.735 1.265) 12.577 3.183 ( -0.780 -5.102 -1.955) 5.519 3.794 ( 1.279 4.629 -1.556) 5.048 3.903 ( -1.029 -1.995 0.645) 2.335 4.139 ( 0.941 0.387 -1.724) 2.002 4.177 ( 7.290 2.259 -1.809) 7.844 4.546 ( -2.082 -5.453 4.684) 7.484 4.874 ( -6.403 5.649 -0.224) 8.541======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( 0.000 0.408 1.965) 2.007 1.213 ( 0.000 5.269 0.640) 5.308 1.433 ( 0.000 0.152 5.657) 5.659 1.872 ( 0.000 1.150 0.254) 1.178 2.078 ( 0.000 -4.836 0.887) 4.916 3.197 ( -0.000 -5.852 -2.505) 6.366 3.790 ( 0.000 -0.411 0.408) 0.579 3.915 ( -0.000 -1.112 -1.306) 1.715 3.946 ( -0.000 4.434 -11.221) 12.065 4.175 ( 0.000 -0.465 0.779) 0.907 4.578 ( 0.000 -6.919 6.831) 9.723 5.012 ( -0.000 8.339 -0.112) 8.339======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( 0.314 -0.170 1.299) 1.347 1.250 ( -1.013 2.807 -1.214) 3.222 1.426 ( -1.752 -1.173 2.235) 3.073 1.883 ( -0.991 1.787 0.838) 2.208 2.093 ( 7.404 -6.755 1.046) 10.077 3.107 ( 0.100 -9.983 -2.249) 10.234 3.800 ( 1.502 1.502 0.457) 2.172 3.887 ( -0.617 -2.241 -2.369) 3.319 4.031 ( 6.815 4.715 -6.224) 10.364 4.170 ( -0.349 -0.607 0.585) 0.913 4.533 ( -0.905 -4.631 6.020) 7.649 5.050 ( -4.937 7.703 -0.397) 9.158======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 0.000 -0.966 0.701) 1.193 1.278 ( -0.000 0.996 -2.061) 2.289 1.434 ( -0.000 -1.755 -0.601) 1.855 1.931 ( -0.000 -9.734 -0.137) 9.735 1.951 ( 0.000 4.732 3.765) 6.047 2.967 ( -0.000 -15.535 -2.285) 15.702 3.783 ( 0.000 -0.341 0.290) 0.448 3.881 ( -0.000 -1.562 -0.647) 1.691 3.997 ( -0.000 5.857 -4.853) 7.606 4.166 ( -0.000 -0.248 -1.040) 1.070 4.529 ( 0.000 -1.627 5.727) 5.954 5.171 ( -0.000 7.475 -1.012) 7.544======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.543 ( 0.000 -0.000 17.620) 17.620 0.543 ( 0.000 -0.000 17.620) 17.620 0.884 ( 0.000 -0.000 30.559) 30.559 1.303 ( -0.000 0.000 -3.032) 3.032 1.303 ( -0.000 0.000 -3.032) 3.032 2.710 ( -0.000 0.000 -13.152) 13.152 3.704 ( 0.000 -0.000 1.329) 1.329 3.704 ( 0.000 -0.000 1.329) 1.329 3.896 ( -0.000 0.000 -1.543) 1.543 3.896 ( -0.000 0.000 -1.543) 1.543 4.870 ( 0.000 -0.000 2.159) 2.159 5.751 ( -0.000 0.000 -0.404) 0.404======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( -0.633 -0.366 16.594) 16.610 0.590 ( -3.178 -1.835 20.619) 20.944 1.188 ( 10.525 6.077 14.070) 18.592 1.323 ( 2.009 1.160 -2.461) 3.382 1.384 ( 9.977 5.760 0.246) 11.523 2.350 ( -15.470 -8.931 -0.983) 17.890 3.710 ( 0.270 0.156 1.341) 1.377 3.896 ( -0.127 -0.073 -1.572) 1.579 3.912 ( 2.610 1.507 -0.536) 3.061 4.102 ( 19.809 11.437 -14.745) 27.214 4.891 ( 1.046 0.604 1.836) 2.197 5.597 ( -11.750 -6.784 1.287) 13.628======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.612 ( 0.241 0.139 14.141) 14.144 0.614 ( 6.374 3.680 10.272) 12.637 1.316 ( 1.843 1.064 -1.582) 2.652 1.384 ( 3.840 2.217 -1.457) 4.667 1.736 ( 14.955 8.634 2.766) 17.488 2.130 ( -2.989 -1.726 0.875) 3.561 3.723 ( 0.545 0.315 1.004) 1.185 3.884 ( -0.443 -0.256 -1.447) 1.535 4.002 ( 4.635 2.676 1.647) 5.599 4.377 ( 8.502 4.909 -12.247) 15.696 4.910 ( -1.098 -0.634 3.559) 3.778 5.277 ( -14.412 -8.321 -2.250) 16.793======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( 3.575 2.064 3.660) 5.517 0.810 ( 7.610 4.393 4.044) 9.673 1.315 ( -0.879 -0.508 -2.465) 2.666 1.501 ( 6.573 3.795 -0.200) 7.593 1.968 ( 5.656 3.265 -3.695) 7.504 2.261 ( 12.264 7.081 3.406) 14.566 3.741 ( 0.792 0.458 0.604) 1.096 3.871 ( -0.238 -0.137 -1.132) 1.165 4.108 ( 3.265 1.885 1.744) 4.154 4.481 ( 4.017 2.319 -6.420) 7.920 4.744 ( -16.095 -9.292 7.465) 20.028 5.044 ( -2.322 -1.341 -8.153) 8.583======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.819 ( 7.989 4.612 -1.163) 9.298 0.968 ( 5.332 3.078 0.117) 6.158 1.277 ( -1.572 -0.908 -1.009) 2.077 1.685 ( 8.945 5.164 0.347) 10.334 2.065 ( 3.561 2.056 -1.828) 4.500 2.587 ( 13.985 8.074 0.779) 16.167 3.763 ( 0.914 0.528 0.174) 1.070 3.869 ( 0.301 0.174 -0.422) 0.546 4.115 ( -5.188 -2.996 1.073) 6.086 4.371 ( -12.964 -7.485 2.002) 15.103 4.553 ( 3.487 2.013 -3.298) 5.205 5.010 ( -0.380 -0.219 -2.970) 3.002======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( 7.817 4.513 -2.657) 9.410 1.062 ( 3.152 1.820 -1.545) 3.954 1.260 ( 1.225 0.707 0.387) 1.466 1.895 ( 8.564 4.945 -0.200) 9.891 2.102 ( -0.393 -0.227 -1.496) 1.563 2.892 ( 11.545 6.665 1.280) 13.392 3.783 ( 0.818 0.473 -0.388) 1.022 3.854 ( -13.115 -7.572 3.731) 15.597 3.881 ( 0.649 0.375 0.721) 1.040 4.241 ( -1.597 -0.922 -1.628) 2.460 4.626 ( 3.669 2.118 -2.739) 5.045 4.987 ( -1.488 -0.859 -0.007) 1.718======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( 1.759 1.016 -2.861) 3.509 1.113 ( 1.785 1.030 -2.051) 2.908 1.373 ( 7.205 4.160 -2.022) 8.561 2.027 ( -5.295 -3.057 -1.690) 6.343 2.061 ( 5.468 3.157 -0.878) 6.374 3.110 ( 6.370 3.678 2.400) 7.737 3.661 ( -4.182 -2.414 8.098) 9.428 3.797 ( 0.500 0.289 -0.621) 0.848 3.898 ( 0.432 0.250 1.529) 1.608 4.214 ( -0.618 -0.357 -1.338) 1.516 4.714 ( 4.897 2.827 -3.237) 6.515 4.927 ( -3.867 -2.233 0.435) 4.487======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( 0.865 0.499 -2.037) 2.269 1.141 ( 2.403 1.387 -1.436) 3.124 1.495 ( 3.311 1.911 -6.882) 7.873 1.899 ( -3.842 -2.218 -0.171) 4.440 2.132 ( 0.731 0.422 -1.078) 1.369 3.201 ( 0.976 0.564 2.860) 3.074 3.694 ( 3.154 1.821 12.153) 12.687 3.801 ( -0.062 -0.036 -0.420) 0.426 3.908 ( -0.085 -0.049 1.585) 1.588 4.200 ( -0.302 -0.174 -1.207) 1.256 4.788 ( -3.711 -2.143 -5.199) 6.737 4.856 ( 3.980 2.298 1.437) 4.815======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 0.109 0.063 -1.622) 1.627 1.213 ( 3.537 2.042 0.604) 4.128 1.482 ( -1.719 -0.993 -4.305) 4.741 1.883 ( 2.146 1.239 -2.127) 3.266 2.085 ( -4.422 -2.553 -0.698) 5.154 3.170 ( -4.980 -2.875 3.179) 6.571 3.793 ( -0.433 -0.250 -0.231) 0.550 3.838 ( 5.457 3.150 11.492) 13.106 3.903 ( -0.721 -0.416 1.188) 1.451 4.187 ( -0.625 -0.361 -1.470) 1.637 4.636 ( -5.777 -3.336 -5.416) 8.593 5.008 ( 7.061 4.077 0.816) 8.194======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( 0.000 0.058 15.278) 15.278 0.824 ( 0.000 8.824 12.997) 15.710 1.206 ( 0.000 8.933 19.846) 21.764 1.284 ( -0.000 1.380 -4.342) 4.556 1.386 ( 0.000 9.479 0.383) 9.487 2.349 ( -0.000 -16.255 -4.100) 16.764 3.720 ( 0.000 0.677 1.140) 1.326 3.866 ( -0.000 -1.326 -1.438) 1.956 3.905 ( -0.000 3.679 -2.171) 4.272 4.057 ( -0.000 18.774 -9.877) 21.214 4.893 ( 0.000 0.488 1.885) 1.947 5.619 ( 0.000 -10.807 0.202) 10.808======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.602 ( 2.217 8.006 7.898) 11.463 0.851 ( -8.245 9.057 14.096) 18.673 1.278 ( 1.227 1.557 -1.265) 2.352 1.377 ( 2.435 4.990 -0.977) 5.638 1.626 ( 10.555 12.928 6.978) 18.090 2.154 ( -3.809 -7.061 -2.330) 8.354 3.733 ( -0.031 1.200 1.312) 1.778 3.855 ( 1.078 -1.861 -1.722) 2.755 3.971 ( 3.246 3.436 0.613) 4.766 4.256 ( 7.046 9.443 -10.704) 15.919 4.904 ( 0.612 -1.406 2.309) 2.772 5.408 ( -10.197 -10.668 -1.454) 14.829======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.734 ( 0.409 8.335 1.679) 8.512 0.871 ( -3.646 9.883 10.117) 14.606 1.299 ( 0.623 -0.251 -2.161) 2.263 1.471 ( 3.184 6.613 -1.051) 7.414 1.901 ( 6.040 6.946 -2.330) 9.495 2.161 ( 7.702 4.926 2.780) 9.556 3.749 ( -0.142 1.550 1.252) 1.998 3.852 ( 1.106 -1.457 -1.864) 2.611 4.076 ( 3.756 3.010 2.039) 5.227 4.395 ( 5.443 2.898 -7.250) 9.518 4.862 ( -4.348 -8.745 6.719) 11.854 5.104 ( -10.751 -4.277 -7.531) 13.806======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.820 ( 0.817 9.157 1.314) 9.287 0.972 ( 1.111 8.172 2.370) 8.581 1.282 ( -0.803 -1.392 -0.903) 1.843 1.627 ( 5.908 8.476 0.271) 10.336 2.018 ( 3.885 3.443 -1.858) 5.514 2.448 ( 12.674 10.125 0.765) 16.240 3.765 ( -0.132 1.042 1.193) 1.589 3.855 ( 0.993 -0.370 -1.756) 2.051 4.141 ( 0.353 0.514 0.735) 0.964 4.484 ( 4.597 1.169 -3.731) 6.035 4.562 ( -15.773 -10.441 3.299) 19.201 4.989 ( -0.417 -1.410 -4.148) 4.401======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 3.626 8.363 2.883) 9.561 1.070 ( 1.412 6.858 -1.786) 7.226 1.254 ( -0.093 -0.874 0.183) 0.898 1.831 ( 6.766 8.596 0.223) 10.942 2.093 ( 1.622 1.905 -1.151) 2.754 2.768 ( 11.986 9.383 0.572) 15.233 3.760 ( -0.884 -2.351 1.284) 2.821 3.869 ( 0.989 0.643 -1.263) 1.728 4.061 ( -10.008 -1.733 2.333) 10.421 4.275 ( -6.328 -2.199 -2.049) 7.005 4.562 ( 4.014 0.715 -2.206) 4.636 4.969 ( 0.960 -3.213 -0.196) 3.359======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 1.086 2.914 0.620) 3.172 1.132 ( -0.228 3.739 -2.143) 4.316 1.315 ( 4.761 4.943 0.122) 6.864 1.998 ( 3.229 2.483 -0.499) 4.104 2.104 ( -1.516 4.631 -1.899) 5.229 3.036 ( 8.546 6.219 2.140) 10.784 3.678 ( -2.574 -6.332 4.107) 7.974 3.889 ( -0.825 3.325 -1.190) 3.627 3.928 ( -5.668 4.183 3.533) 7.880 4.212 ( -0.766 -0.962 -1.978) 2.329 4.632 ( 4.655 0.472 -3.471) 5.826 4.939 ( -0.666 -4.103 1.035) 4.284======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 0.933 0.932 -1.411) 1.931 1.154 ( -0.063 2.729 -1.130) 2.955 1.439 ( 3.436 3.457 -3.656) 6.093 1.942 ( -4.144 -3.410 -0.840) 5.432 2.176 ( -0.712 8.462 -1.620) 8.645 3.188 ( 3.113 2.128 2.846) 4.724 3.655 ( 2.899 -2.195 8.081) 8.862 3.901 ( -4.166 8.083 1.882) 9.286 3.920 ( -0.286 0.680 1.525) 1.694 4.193 ( 0.138 -0.971 -1.327) 1.650 4.718 ( 5.924 -0.386 -4.830) 7.653 4.865 ( -2.953 -3.812 1.051) 4.936======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( 1.467 0.595 -1.903) 2.475 1.186 ( 1.423 2.455 -0.075) 2.839 1.461 ( 0.007 -1.058 -5.249) 5.354 1.871 ( -0.936 -0.593 0.098) 1.113 2.190 ( -5.544 5.740 -1.551) 8.130 3.214 ( -1.626 -1.296 2.993) 3.644 3.740 ( 4.280 -0.278 5.400) 6.896 3.911 ( -1.958 1.139 4.859) 5.361 3.941 ( -1.624 7.490 2.106) 7.948 4.183 ( 0.074 -0.679 -1.372) 1.532 4.677 ( -4.777 -4.755 -5.639) 8.788 4.896 ( 7.592 0.348 0.719) 7.634======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.717 ( 0.000 13.146 3.040) 13.493 1.020 ( 0.000 3.979 4.992) 6.383 1.333 ( -0.000 6.640 -2.661) 7.153 1.375 ( 0.000 3.273 1.895) 3.782 1.711 ( 0.000 16.397 8.600) 18.515 2.099 ( -0.000 -6.139 -4.046) 7.352 3.745 ( 0.000 1.259 0.810) 1.497 3.830 ( -0.000 -1.345 -0.960) 1.652 3.968 ( 0.000 3.361 0.437) 3.390 4.271 ( -0.000 8.442 -6.528) 10.671 4.880 ( 0.000 -4.475 3.034) 5.407 5.381 ( -0.000 -10.203 -4.349) 11.091======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( -1.140 12.183 -2.398) 12.469 1.040 ( -2.016 3.881 3.282) 5.468 1.325 ( -3.266 2.876 0.160) 4.355 1.482 ( 3.741 6.947 -1.598) 8.051 1.910 ( 2.036 9.818 -0.654) 10.048 2.105 ( 5.121 5.844 2.251) 8.089 3.772 ( 0.552 1.984 0.893) 2.245 3.810 ( 0.252 -1.543 -1.130) 1.929 4.045 ( 3.843 2.953 1.938) 5.220 4.341 ( 2.256 3.904 -4.066) 6.071 4.817 ( -0.662 -10.478 4.577) 11.454 5.206 ( -7.649 -5.155 -7.635) 11.974======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.916 ( -0.597 10.031 -4.725) 11.104 1.074 ( -1.078 6.086 2.409) 6.633 1.292 ( -2.083 -0.330 0.592) 2.191 1.635 ( 4.463 9.786 -0.167) 10.757 1.998 ( 2.468 4.508 -1.115) 5.259 2.366 ( 9.762 13.452 0.855) 16.642 3.786 ( -0.561 0.404 1.034) 1.244 3.819 ( 1.640 0.203 -1.757) 2.412 4.135 ( 2.050 1.623 1.275) 2.909 4.407 ( 3.977 1.049 -1.244) 4.297 4.650 ( -6.049 -13.606 3.410) 15.275 5.019 ( -6.650 -0.762 -7.021) 9.700======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.034 ( 2.383 10.519 1.307) 10.865 1.129 ( -0.228 6.605 -0.642) 6.640 1.251 ( -1.367 -1.576 0.643) 2.183 1.823 ( 5.221 9.744 0.237) 11.057 2.088 ( 2.435 4.369 0.425) 5.020 2.677 ( 10.437 12.378 -0.576) 16.201 3.768 ( -1.736 -2.144 1.661) 3.220 3.844 ( 1.688 0.666 -2.941) 3.456 4.139 ( -1.970 -0.810 0.249) 2.144 4.407 ( -9.566 -4.771 -0.105) 10.690 4.492 ( 4.431 0.464 -0.038) 4.455 4.917 ( -1.151 -3.658 -2.345) 4.495======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( -1.979 5.397 4.270) 7.161 1.172 ( -1.008 2.262 -1.187) 2.746 1.291 ( 4.707 6.271 -0.269) 7.845 1.975 ( 2.833 3.323 -0.079) 4.367 2.176 ( 0.807 9.020 -0.260) 9.060 2.958 ( 9.096 8.481 0.770) 12.460 3.683 ( -3.495 -5.025 1.951) 6.424 3.878 ( 2.244 0.976 -2.831) 3.742 4.086 ( -3.550 1.305 2.276) 4.414 4.258 ( -6.382 2.259 -1.368) 6.907 4.557 ( 3.155 0.035 -1.804) 3.634 4.877 ( 1.778 -5.737 0.432) 6.022======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( -2.077 1.235 0.658) 2.505 1.191 ( -0.882 3.733 0.896) 3.939 1.423 ( 2.577 4.696 -1.192) 5.488 1.967 ( -2.540 -2.648 -0.455) 3.697 2.300 ( -0.763 13.554 -1.480) 13.656 3.151 ( 5.242 3.315 2.310) 6.619 3.621 ( 0.626 -2.247 4.805) 5.341 3.916 ( 1.620 0.688 -1.974) 2.645 4.074 ( -2.835 5.486 3.551) 7.124 4.190 ( -3.483 1.453 -1.412) 4.030 4.604 ( 4.008 -1.084 -3.285) 5.294 4.846 ( 0.428 -5.313 0.575) 5.362======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -0.188 1.338 -0.317) 1.388 1.212 ( -1.035 3.163 0.955) 3.462 1.449 ( -0.871 -0.359 -2.913) 3.061 1.894 ( -2.379 -1.212 0.489) 2.714 2.371 ( -5.608 11.479 -1.891) 12.915 3.222 ( 0.779 -0.701 2.699) 2.895 3.684 ( 4.474 0.911 5.489) 7.139 3.928 ( 0.087 -0.513 -0.756) 0.918 4.111 ( -3.841 10.098 3.837) 11.465 4.155 ( 0.371 -1.746 -1.360) 2.244 4.635 ( 2.214 -4.201 -4.665) 6.657 4.806 ( 1.362 -2.733 0.653) 3.123======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( -0.000 11.844 -4.617) 12.712 1.062 ( -0.000 0.541 -1.925) 1.999 1.389 ( -0.000 -1.399 -3.193) 3.486 1.506 ( -0.000 10.317 -0.451) 10.326 1.960 ( -0.000 3.347 -3.360) 4.743 2.183 ( 0.000 16.846 5.354) 17.677 3.781 ( 0.000 1.179 1.355) 1.796 3.804 ( -0.000 -0.032 -1.246) 1.246 4.042 ( 0.000 2.769 2.890) 4.003 4.351 ( -0.000 2.327 -1.162) 2.601 4.712 ( 0.000 -13.901 3.315) 14.291 5.206 ( -0.000 -2.840 -8.609) 9.065======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( -2.191 6.363 -6.876) 9.621 1.110 ( 2.110 4.621 -2.653) 5.731 1.331 ( -2.260 -1.694 -1.751) 3.323 1.654 ( 4.240 10.061 -0.784) 10.946 1.997 ( 1.852 2.888 -0.693) 3.500 2.416 ( 3.623 18.758 1.867) 19.196 3.783 ( -0.035 -0.720 0.102) 0.728 3.819 ( 0.257 2.205 -0.113) 2.223 4.110 ( 3.009 2.018 2.619) 4.470 4.365 ( 1.125 -1.420 0.590) 1.905 4.568 ( -0.965 -13.234 1.483) 13.352 5.109 ( -5.654 -0.828 -7.522) 9.446======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( 3.494 6.800 -2.159) 7.944 1.179 ( 1.054 5.630 -3.056) 6.492 1.274 ( -2.125 -1.691 -0.036) 2.716 1.833 ( 4.697 9.114 -0.264) 10.257 2.080 ( 3.950 3.619 1.130) 5.475 2.678 ( 5.460 16.478 -0.675) 17.372 3.777 ( -0.610 -0.970 0.738) 1.363 3.828 ( -0.475 0.484 -1.680) 1.812 4.155 ( -0.399 0.081 -0.321) 0.518 4.369 ( 4.297 -7.996 1.051) 9.138 4.472 ( -0.560 -1.339 1.654) 2.201 4.962 ( -7.200 -1.354 -4.716) 8.713======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 1.590 0.577 1.073) 2.003 1.228 ( -1.748 2.002 1.763) 3.189 1.281 ( 4.269 8.481 -2.178) 9.742 1.964 ( 2.279 3.168 0.511) 3.936 2.227 ( 5.314 9.155 0.847) 10.619 2.919 ( 5.941 11.379 -0.669) 12.853 3.707 ( -3.961 -3.849 -0.430) 5.540 3.835 ( 1.580 0.380 -2.121) 2.672 4.122 ( -1.637 -0.902 -0.009) 1.870 4.366 ( 0.034 -0.129 0.267) 0.298 4.508 ( 2.453 0.833 0.897) 2.741 4.823 ( -3.730 -3.972 -1.578) 5.673======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( -1.411 -0.953 0.035) 1.703 1.258 ( -0.641 3.899 1.888) 4.379 1.425 ( 2.837 5.102 -0.082) 5.838 1.977 ( -1.144 -1.694 0.263) 2.061 2.433 ( 3.172 14.917 -0.101) 15.251 3.096 ( 5.033 4.234 0.729) 6.617 3.618 ( -1.566 -1.907 0.932) 2.637 3.865 ( 2.462 -0.506 -2.574) 3.598 4.096 ( -0.329 -1.160 1.268) 1.750 4.356 ( -5.267 6.417 0.811) 8.341 4.544 ( 1.468 -0.295 -1.252) 1.952 4.758 ( 1.882 -5.610 -0.110) 5.919======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( -0.705 0.017 0.090) 0.711 1.284 ( -1.686 3.883 2.008) 4.685 1.458 ( -1.150 -0.555 -1.204) 1.755 1.925 ( -2.223 -1.370 0.431) 2.647 2.590 ( -3.709 15.304 -0.975) 15.777 3.182 ( 3.208 -1.758 1.817) 4.084 3.641 ( 3.342 1.686 3.100) 4.861 3.885 ( 2.249 -2.134 -3.250) 4.492 4.093 ( 1.379 -2.111 0.689) 2.614 4.331 ( -6.347 8.998 2.350) 11.260 4.552 ( 1.394 -2.411 -1.746) 3.287 4.748 ( 2.124 -4.024 -0.738) 4.610======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( -0.000 0.519 -2.900) 2.946 1.115 ( -0.000 6.408 -10.777) 12.538 1.314 ( -0.000 -2.571 -2.729) 3.749 1.714 ( -0.000 10.389 -0.846) 10.423 2.002 ( 0.000 1.633 1.209) 2.032 2.593 ( 0.000 19.983 0.512) 19.989 3.778 ( 0.000 -0.558 0.033) 0.559 3.844 ( 0.000 2.843 0.116) 2.846 4.113 ( 0.000 1.791 4.425) 4.773 4.304 ( -0.000 -9.524 -2.332) 9.805 4.479 ( 0.000 -5.284 2.283) 5.756 5.128 ( -0.000 -1.067 -6.635) 6.720======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( 1.702 2.648 -2.264) 3.878 1.166 ( 3.569 2.380 -8.035) 9.109 1.285 ( -0.980 0.030 -1.259) 1.596 1.848 ( 3.531 9.209 -0.743) 9.891 2.041 ( 2.850 0.614 2.306) 3.717 2.797 ( 1.381 17.868 -1.217) 17.963 3.779 ( 0.158 -0.136 0.269) 0.340 3.856 ( -1.711 1.562 -0.562) 2.384 4.157 ( 1.482 0.623 2.884) 3.302 4.195 ( 2.488 -10.466 -4.887) 11.815 4.471 ( 0.397 0.053 4.266) 4.284 5.049 ( -5.045 -1.596 -4.792) 7.139======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 3.741 1.057 1.212) 4.072 1.217 ( 3.104 -0.905 -3.353) 4.658 1.304 ( 1.588 6.401 -1.504) 6.765 1.963 ( 1.427 2.730 1.202) 3.307 2.167 ( 8.915 5.062 0.582) 10.268 2.981 ( 1.733 13.411 -1.517) 13.607 3.736 ( -3.668 -2.616 -3.081) 5.458 3.839 ( -0.833 1.691 0.859) 2.071 4.137 ( -0.957 -0.702 -2.577) 2.837 4.235 ( 8.457 -4.363 0.274) 9.520 4.505 ( 0.623 1.550 3.618) 3.985 4.906 ( -7.455 -1.906 -2.442) 8.073======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( -0.100 -1.580 0.022) 1.584 1.271 ( 2.807 1.663 -0.868) 3.376 1.422 ( 3.239 4.535 0.631) 5.609 1.974 ( -0.372 -1.855 0.852) 2.075 2.432 ( 11.511 9.887 0.239) 15.176 3.103 ( 0.517 6.972 -0.852) 7.043 3.638 ( -2.774 -1.205 -3.097) 4.328 3.847 ( -0.741 1.134 1.168) 1.789 4.104 ( -1.477 -0.692 -0.433) 1.687 4.363 ( 8.212 -0.741 -0.653) 8.271 4.532 ( 0.027 0.810 1.265) 1.502 4.759 ( -6.258 -1.525 -0.286) 6.447======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -0.402 -0.697 -0.000) 0.805 1.327 ( 1.336 2.313 -0.000) 2.671 1.464 ( -0.675 -1.170 -0.000) 1.350 1.939 ( -1.077 -1.865 -0.000) 2.154 2.728 ( 7.512 13.011 -0.000) 15.024 3.125 ( -0.826 -1.430 -0.000) 1.652 3.625 ( 1.444 2.502 0.000) 2.889 3.837 ( -0.675 -1.168 -0.000) 1.349 4.073 ( -0.728 -1.261 -0.000) 1.456 4.469 ( 1.890 3.274 -0.000) 3.780 4.527 ( -0.690 -1.194 0.000) 1.379 4.678 ( -0.829 -1.435 -0.000) 1.657======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( -0.000 1.096 -1.111) 1.561 1.102 ( -0.000 -0.199 -7.865) 7.868 1.301 ( -0.000 2.211 -1.752) 2.821 1.904 ( -0.000 8.828 -0.746) 8.860 2.019 ( 0.000 -1.807 3.850) 4.253 2.952 ( -0.000 15.520 -2.434) 15.709 3.774 ( 0.000 0.148 0.113) 0.186 3.898 ( -0.000 2.338 -0.274) 2.354 4.029 ( -0.000 -9.928 -6.141) 11.674 4.177 ( 0.000 1.428 0.198) 1.442 4.493 ( 0.000 1.836 6.245) 6.509 5.057 ( -0.000 -2.970 -3.906) 4.907======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 3.024 1.265 0.900) 3.400 1.119 ( 4.172 -1.076 -3.873) 5.793 1.330 ( 0.901 3.931 -1.072) 4.172 1.977 ( -0.233 0.818 2.030) 2.201 2.069 ( 6.549 3.246 1.213) 7.410 3.085 ( 0.477 11.292 -2.693) 11.619 3.762 ( -2.433 -0.748 -3.539) 4.359 3.877 ( -1.046 1.035 -0.166) 1.481 4.014 ( 6.938 -3.217 -5.646) 9.506 4.179 ( -0.941 0.158 0.901) 1.312 4.540 ( -0.289 3.283 6.061) 6.899 4.975 ( -3.948 -3.688 -2.413) 5.917======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( 1.644 -1.433 -0.413) 2.219 1.202 ( 4.958 0.820 -1.472) 5.236 1.410 ( 2.891 3.422 1.484) 4.719 1.958 ( -0.320 -3.132 1.360) 3.430 2.288 ( 12.254 5.673 0.859) 13.531 3.172 ( -0.143 6.482 -2.186) 6.843 3.675 ( -3.673 0.378 -6.388) 7.379 3.894 ( -0.863 2.097 2.484) 3.363 4.111 ( 3.889 0.435 -3.931) 5.547 4.178 ( 5.007 -2.199 0.923) 5.546 4.570 ( -1.730 2.550 3.803) 4.895 4.851 ( -5.365 -2.639 -0.675) 6.017======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 0.000 0.449 0.029) 0.450 1.081 ( 0.000 1.352 1.059) 1.717 1.354 ( 0.000 3.293 0.352) 3.312 1.974 ( 0.000 -4.691 3.440) 5.817 2.051 ( 0.000 5.636 0.150) 5.638 3.166 ( -0.000 7.434 -3.138) 8.069 3.784 ( 0.000 0.505 0.571) 0.762 3.858 ( -0.000 -1.046 -11.908) 11.954 3.927 ( -0.000 0.979 -1.252) 1.590 4.192 ( 0.000 -0.147 0.635) 0.652 4.612 ( 0.000 5.252 7.243) 8.947 4.954 ( -0.000 -5.298 -1.978) 5.655======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 1.236 0.435 0.409) 1.373 1.142 ( 3.341 1.591 1.356) 3.941 1.407 ( 1.614 2.727 3.134) 4.457 1.931 ( -0.314 -4.296 1.484) 4.556 2.163 ( 7.253 3.433 1.129) 8.104 3.215 ( 0.150 3.779 -2.885) 4.757 3.729 ( -3.911 1.542 -7.294) 8.418 3.905 ( 3.608 1.700 0.049) 3.989 3.957 ( 5.252 -0.241 -5.407) 7.542 4.182 ( -1.103 -0.301 1.012) 1.527 4.664 ( -2.571 4.086 6.435) 8.044 4.876 ( -2.147 -4.110 -1.379) 4.838======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 0.000 1.036 2.084) 2.327 1.124 ( 0.000 3.509 2.202) 4.143 1.434 ( 0.000 2.324 5.875) 6.318 1.895 ( 0.000 -3.602 0.561) 3.645 2.122 ( 0.000 0.802 0.970) 1.258 3.229 ( -0.000 1.168 -2.999) 3.218 3.795 ( 0.000 0.085 0.633) 0.638 3.816 ( -0.000 3.954 -13.466) 14.035 3.924 ( -0.000 -0.230 -1.726) 1.741 4.189 ( 0.000 -0.472 1.051) 1.152 4.729 ( 0.000 -2.565 7.194) 7.638 4.872 ( -0.000 2.597 -1.669) 3.087======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( 0.000 -0.000 15.845) 15.845 0.701 ( 0.000 -0.000 15.845) 15.845 1.167 ( 0.000 -0.000 29.516) 29.516 1.268 ( -0.000 0.000 -4.317) 4.317 1.268 ( -0.000 0.000 -4.317) 4.317 2.569 ( -0.000 0.000 -16.656) 16.656 3.717 ( 0.000 -0.000 1.574) 1.574 3.717 ( 0.000 -0.000 1.574) 1.574 3.880 ( -0.000 0.000 -1.790) 1.790 3.880 ( -0.000 0.000 -1.790) 1.790 4.891 ( 0.000 -0.000 2.113) 2.113 5.747 ( -0.000 0.000 -0.418) 0.418======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.651 ( -1.746 -1.008 16.216) 16.341 0.775 ( -2.491 -1.438 18.339) 18.563 1.249 ( 1.999 1.154 -1.380) 2.689 1.296 ( 2.537 1.465 -3.385) 4.476 1.450 ( 12.445 7.185 13.809) 19.930 2.307 ( -11.940 -6.894 -7.679) 15.782 3.724 ( 0.160 0.092 1.588) 1.599 3.879 ( -0.083 -0.048 -1.999) 2.001 3.908 ( 3.589 2.072 -0.193) 4.148 3.992 ( 16.176 9.339 -9.014) 20.740 4.908 ( 0.860 0.496 1.656) 1.931 5.605 ( -11.384 -6.572 0.538) 13.156======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.722 ( 3.527 2.036 12.201) 12.863 0.756 ( -3.456 -1.995 15.543) 16.047 1.285 ( 1.610 0.930 -4.612) 4.972 1.368 ( 4.491 2.593 -1.884) 5.517 1.760 ( 10.656 6.152 2.355) 12.528 2.133 ( -0.486 -0.281 -0.330) 0.652 3.734 ( 0.363 0.209 1.333) 1.398 3.867 ( -0.309 -0.178 -2.007) 2.038 4.018 ( 5.108 2.949 1.746) 6.152 4.270 ( 9.991 5.768 -10.256) 15.436 4.936 ( 0.823 0.475 1.901) 2.126 5.264 ( -17.122 -9.886 -0.478) 19.777======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.739 ( -0.034 -0.020 7.952) 7.952 0.859 ( 5.069 2.927 6.162) 8.499 1.292 ( -0.051 -0.030 -2.102) 2.103 1.499 ( 7.094 4.096 -0.140) 8.193 1.939 ( 5.860 3.383 -2.475) 7.205 2.285 ( 11.410 6.588 1.491) 13.259 3.749 ( 0.588 0.340 1.112) 1.303 3.857 ( 0.043 0.025 -1.786) 1.786 4.121 ( 2.767 1.597 0.883) 3.315 4.420 ( 5.778 3.336 -6.244) 9.137 4.803 ( -19.050 -10.998 4.515) 22.455 4.986 ( 0.299 0.173 -3.612) 3.628======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.837 ( 6.366 3.675 4.888) 8.827 0.976 ( 3.901 2.252 1.584) 4.775 1.273 ( -1.090 -0.629 0.021) 1.258 1.690 ( 8.890 5.133 0.632) 10.285 2.047 ( 3.802 2.195 -1.833) 4.757 2.593 ( 13.963 8.061 0.521) 16.131 3.766 ( 0.576 0.332 0.510) 0.838 3.863 ( 0.852 0.492 -0.793) 1.264 4.129 ( -3.802 -2.195 1.757) 4.729 4.367 ( -13.902 -8.026 -2.934) 16.319 4.527 ( 2.955 1.706 -1.856) 3.884 5.000 ( 0.470 0.271 0.793) 0.961======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 5.833 3.368 1.359) 6.871 1.051 ( 2.544 1.469 -0.738) 3.029 1.269 ( 1.498 0.865 1.362) 2.202 1.895 ( 8.204 4.737 0.179) 9.475 2.083 ( -0.559 -0.323 -2.614) 2.693 2.907 ( 12.087 6.978 2.034) 14.104 3.779 ( 0.572 0.330 -0.372) 0.758 3.888 ( 1.155 0.667 0.702) 1.507 3.899 ( -12.069 -6.968 5.917) 15.141 4.220 ( -1.092 -0.630 -2.751) 3.027 4.593 ( 3.413 1.971 -4.161) 5.731 4.997 ( -1.404 -0.810 2.031) 2.599======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 1.648 0.951 -1.958) 2.730 1.095 ( 1.578 0.911 -1.747) 2.524 1.360 ( 4.889 2.823 -0.905) 5.717 2.005 ( -4.767 -2.752 -2.897) 6.220 2.054 ( 5.195 2.999 -0.545) 6.024 3.136 ( 6.450 3.724 3.060) 8.052 3.750 ( -2.458 -1.419 10.765) 11.133 3.790 ( 0.504 0.291 -0.730) 0.933 3.913 ( 0.613 0.354 1.598) 1.747 4.201 ( -0.363 -0.210 -1.236) 1.305 4.673 ( 4.853 2.802 -5.519) 7.865 4.937 ( -4.202 -2.426 1.527) 5.087======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.650 ( 0.000 -4.003 17.038) 17.502 0.935 ( 0.000 6.585 10.454) 12.355 1.237 ( -0.000 1.678 -5.598) 5.844 1.294 ( -0.000 4.229 -0.897) 4.323 1.477 ( 0.000 10.587 18.498) 21.313 2.279 ( -0.000 -12.557 -10.344) 16.269 3.732 ( 0.000 0.445 1.265) 1.341 3.853 ( -0.000 -1.106 -1.302) 1.708 3.886 ( -0.000 5.479 -1.734) 5.747 3.988 ( -0.000 14.691 -5.356) 15.637 4.910 ( 0.000 0.418 1.624) 1.677 5.619 ( -0.000 -11.256 -0.216) 11.258======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( 1.182 1.293 12.147) 12.273 0.965 ( -5.488 5.388 9.586) 12.290 1.252 ( 0.846 2.770 -3.426) 4.487 1.356 ( 1.846 5.374 -3.231) 6.537 1.701 ( 6.267 9.770 8.343) 14.295 2.121 ( -1.301 -5.242 -4.489) 7.023 3.745 ( 0.084 1.048 1.297) 1.670 3.839 ( 0.752 -1.648 -1.694) 2.480 3.980 ( 4.212 3.950 1.250) 5.908 4.169 ( 6.081 10.889 -7.963) 14.797 4.923 ( 0.817 -0.481 1.667) 1.918 5.396 ( -10.260 -12.996 -1.067) 16.593======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.761 ( 0.513 2.465 3.959) 4.691 0.959 ( -4.186 6.929 7.901) 11.312 1.281 ( 0.474 1.286 -1.174) 1.805 1.460 ( 4.057 7.128 -1.175) 8.285 1.884 ( 4.494 5.915 -1.186) 7.523 2.180 ( 8.191 5.401 1.022) 9.864 3.761 ( -0.158 1.541 1.253) 1.993 3.833 ( 1.048 -1.427 -2.024) 2.689 4.093 ( 3.362 2.986 1.495) 4.738 4.333 ( 6.017 5.107 -5.713) 9.743 4.923 ( -1.244 -6.765 6.092) 9.188 5.039 ( -13.530 -7.618 -6.094) 16.681======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.837 ( 2.963 6.888 2.774) 7.995 1.008 ( -1.035 6.420 4.633) 7.985 1.279 ( -0.765 -0.773 0.463) 1.182 1.631 ( 6.179 8.602 0.551) 10.606 2.003 ( 3.935 4.095 -1.189) 5.803 2.451 ( 12.478 9.685 -0.124) 15.796 3.777 ( -0.358 1.291 1.218) 1.811 3.837 ( 1.436 -0.646 -1.893) 2.462 4.146 ( 0.282 0.508 0.243) 0.629 4.443 ( 2.667 1.967 -4.513) 5.599 4.586 ( -15.363 -10.496 1.587) 18.673 4.970 ( 1.608 -1.767 0.176) 2.395======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( 3.566 8.642 4.248) 10.269 1.065 ( -0.160 5.106 1.098) 5.226 1.260 ( 0.211 -0.766 1.055) 1.321 1.834 ( 6.554 8.329 0.549) 10.613 2.080 ( 1.032 2.373 -1.697) 3.095 2.776 ( 12.771 9.417 0.963) 15.897 3.772 ( -0.967 -1.328 1.133) 1.995 3.858 ( 1.776 -0.268 -0.964) 2.038 4.090 ( -8.448 -2.072 3.847) 9.511 4.246 ( -6.788 -1.657 -3.903) 8.003 4.539 ( 2.957 0.944 -2.836) 4.205 4.979 ( 1.623 -3.559 2.226) 4.500======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( -1.196 2.989 2.419) 4.027 1.113 ( -0.155 4.256 -1.773) 4.613 1.320 ( 3.889 3.803 0.880) 5.510 1.991 ( 2.386 1.680 -1.064) 3.106 2.085 ( -1.400 5.606 -2.015) 6.119 3.059 ( 9.102 6.186 2.669) 11.324 3.721 ( -0.597 -5.212 4.815) 7.121 3.879 ( 0.117 1.830 -0.695) 1.961 3.966 ( -6.115 4.600 4.528) 8.891 4.193 ( -0.157 -0.805 -1.885) 2.056 4.592 ( 3.945 0.862 -4.941) 6.381 4.954 ( -0.814 -4.565 1.973) 5.039======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( 0.000 6.443 7.905) 10.198 1.044 ( -0.000 0.950 -0.120) 0.958 1.314 ( -0.000 8.226 -1.240) 8.319 1.363 ( -0.000 3.061 -3.886) 4.947 1.791 ( 0.000 11.211 7.153) 13.298 2.062 ( -0.000 -2.703 -3.017) 4.050 3.754 ( 0.000 1.173 0.924) 1.493 3.822 ( -0.000 -1.258 -0.656) 1.418 3.978 ( 0.000 4.303 1.662) 4.612 4.216 ( -0.000 10.250 -5.128) 11.462 4.907 ( 0.000 -3.037 2.661) 4.038 5.342 ( -0.000 -13.441 -3.938) 14.006======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.831 ( -2.351 6.614 -0.514) 7.038 1.052 ( 0.398 1.952 -0.536) 2.063 1.322 ( -2.473 2.693 -0.798) 3.742 1.464 ( 4.229 7.941 -1.984) 9.213 1.900 ( 1.229 6.422 -1.411) 6.689 2.132 ( 4.781 8.644 3.229) 10.393 3.779 ( 0.601 1.696 0.428) 1.849 3.803 ( -0.139 -1.174 -0.450) 1.265 4.067 ( 3.736 3.204 2.504) 5.522 4.306 ( 2.017 6.290 -3.105) 7.298 4.862 ( 0.019 -10.098 5.001) 11.268 5.135 ( -7.887 -7.348 -7.467) 13.113======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 1.363 8.535 -3.425) 9.297 1.091 ( 0.178 3.863 1.224) 4.056 1.300 ( -1.729 -0.318 0.817) 1.938 1.634 ( 5.031 9.905 -0.089) 11.110 1.991 ( 2.902 5.309 -0.444) 6.067 2.372 ( 8.641 12.915 0.409) 15.544 3.794 ( 0.350 -0.237 0.506) 0.659 3.806 ( 0.435 0.869 -1.006) 1.399 4.144 ( 1.290 1.240 0.710) 1.925 4.398 ( 3.716 3.294 -0.639) 5.007 4.679 ( -7.244 -15.579 2.545) 17.368 4.963 ( -4.315 -0.369 -4.543) 6.277======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( 5.031 11.410 0.372) 12.475 1.136 ( -0.275 4.164 1.643) 4.485 1.260 ( -1.562 -1.697 1.173) 2.588 1.826 ( 5.285 9.410 0.365) 10.799 2.090 ( 2.062 5.165 0.048) 5.561 2.674 ( 10.787 12.220 -0.223) 16.302 3.784 ( -1.621 -2.255 1.433) 3.125 3.819 ( 1.639 0.305 -2.133) 2.707 4.143 ( -1.252 -0.992 0.581) 1.700 4.399 ( -10.416 -3.326 -1.466) 11.032 4.491 ( 3.097 0.260 -0.295) 3.122 4.908 ( 0.733 -4.367 0.434) 4.450======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( -1.402 3.199 -1.301) 3.727 1.181 ( -2.089 4.407 4.049) 6.339 1.293 ( 4.945 5.307 0.791) 7.297 1.972 ( 2.417 3.202 -0.596) 4.056 2.173 ( 0.063 9.531 -0.508) 9.545 2.968 ( 10.037 8.359 1.285) 13.125 3.707 ( -2.202 -5.284 2.986) 6.457 3.854 ( 2.452 0.557 -2.220) 3.355 4.111 ( -1.979 0.398 2.836) 3.481 4.244 ( -7.256 3.661 -1.385) 8.244 4.535 ( 2.056 0.582 -2.753) 3.485 4.887 ( 2.207 -6.437 1.618) 6.995======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( -0.000 7.470 -4.464) 8.702 1.032 ( -0.000 0.342 -4.320) 4.333 1.348 ( -0.000 -1.196 -5.176) 5.313 1.502 ( -0.000 10.164 -0.391) 10.171 1.934 ( -0.000 4.511 -2.160) 5.001 2.232 ( 0.000 15.171 4.806) 15.914 3.790 ( -0.000 1.332 -1.166) 1.770 3.798 ( 0.000 -0.240 1.599) 1.617 4.072 ( 0.000 3.218 3.484) 4.743 4.342 ( -0.000 4.167 -0.572) 4.206 4.746 ( 0.000 -15.758 3.971) 16.250 5.124 ( -0.000 -2.698 -8.555) 8.970======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.938 ( -1.452 6.940 -7.352) 10.214 1.084 ( 3.578 2.389 -3.095) 5.300 1.311 ( -0.723 -1.673 -2.350) 2.974 1.646 ( 4.331 10.079 -0.912) 11.008 1.993 ( 2.083 4.288 -0.082) 4.768 2.433 ( 2.746 17.165 1.652) 17.461 3.786 ( 0.167 -0.470 0.406) 0.643 3.817 ( -0.156 1.942 -0.118) 1.952 4.132 ( 1.779 1.820 1.924) 3.190 4.376 ( 1.563 -0.565 2.002) 2.602 4.582 ( -1.055 -14.916 1.423) 15.021 5.042 ( -4.964 0.140 -6.512) 8.190======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( 5.701 9.434 -1.640) 11.144 1.154 ( 2.139 3.175 -2.246) 4.438 1.270 ( -1.233 -2.099 -0.823) 2.570 1.830 ( 5.095 9.195 -0.374) 10.519 2.088 ( 3.909 4.127 0.534) 5.709 2.673 ( 5.185 15.906 -0.216) 16.731 3.786 ( -0.598 -1.516 1.018) 1.922 3.814 ( -1.023 0.658 -1.113) 1.649 4.150 ( -0.607 -0.750 -0.712) 1.200 4.382 ( 3.856 -9.655 1.764) 10.545 4.485 ( -0.937 0.770 1.027) 1.589 4.925 ( -5.838 -1.038 -2.985) 6.638======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( 0.005 0.009 -0.000) 0.010 1.240 ( 0.237 0.410 -0.000) 0.473 1.268 ( 5.810 10.063 0.000) 11.619 1.966 ( 2.085 3.611 -0.000) 4.169 2.231 ( 5.201 9.009 -0.000) 10.403 2.916 ( 6.446 11.165 -0.000) 12.893 3.705 ( -2.997 -5.191 -0.000) 5.994 3.825 ( 0.649 1.125 -0.000) 1.299 4.122 ( -0.701 -1.214 -0.000) 1.402 4.368 ( -0.038 -0.065 -0.000) 0.075 4.512 ( 0.901 1.561 -0.000) 1.803 4.816 ( -2.502 -4.333 -0.000) 5.003======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( -0.000 5.479 -11.542) 12.777 1.024 ( -0.000 1.372 -3.074) 3.366 1.292 ( -0.000 -1.348 -1.949) 2.370 1.705 ( -0.000 10.306 -0.938) 10.348 2.015 ( 0.000 3.093 1.565) 3.466 2.596 ( -0.000 18.197 0.209) 18.199 3.777 ( -0.000 -0.372 -0.397) 0.544 3.847 ( 0.000 2.506 0.634) 2.584 4.145 ( 0.000 1.992 1.825) 2.702 4.295 ( 0.000 -13.861 1.213) 13.913 4.500 ( 0.000 -2.843 1.917) 3.429 5.068 ( -0.000 0.021 -5.783) 5.783======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.035 ( 3.205 5.634 -2.710) 7.025 1.098 ( 4.944 1.667 -5.896) 7.873 1.272 ( -0.836 0.015 -1.436) 1.662 1.841 ( 3.773 9.529 -0.751) 10.276 2.062 ( 2.222 1.434 2.111) 3.384 2.786 ( 1.507 16.769 -1.191) 16.879 3.779 ( 0.094 -0.811 -0.302) 0.871 3.853 ( -1.892 1.534 0.081) 2.437 4.132 ( 0.922 -5.979 -5.045) 7.877 4.206 ( 3.225 -6.817 4.309) 8.686 4.509 ( -0.076 1.653 3.603) 3.965 5.008 ( -4.526 -0.700 -3.911) 6.022======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( -0.000 3.360 -5.164) 6.161 1.049 ( -0.000 2.016 -0.225) 2.028 1.284 ( -0.000 2.018 -1.826) 2.721 1.898 ( -0.000 9.105 -0.512) 9.120 2.054 ( 0.000 -1.161 3.425) 3.616 2.929 ( -0.000 14.741 -2.450) 14.943 3.776 ( 0.000 0.353 0.268) 0.443 3.894 ( -0.000 1.919 -0.537) 1.992 3.962 ( -0.000 -12.306 -7.271) 14.294 4.193 ( 0.000 0.164 2.676) 2.681 4.548 ( 0.000 3.079 5.356) 6.178 5.023 ( -0.000 -2.081 -3.325) 3.922======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( 0.000 -0.000 13.712) 13.712 0.840 ( 0.000 -0.000 13.712) 13.712 1.221 ( -0.000 0.000 -5.731) 5.731 1.221 ( -0.000 0.000 -5.731) 5.731 1.437 ( 0.000 -0.000 27.929) 27.929 2.399 ( -0.000 0.000 -19.453) 19.453 3.732 ( 0.000 -0.000 1.578) 1.578 3.732 ( 0.000 -0.000 1.578) 1.578 3.863 ( -0.000 0.000 -1.753) 1.753 3.863 ( -0.000 0.000 -1.753) 1.753 4.909 ( 0.000 -0.000 1.665) 1.665 5.743 ( -0.000 0.000 -0.346) 0.346======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.797 ( -2.006 -1.158 14.637) 14.819 0.928 ( -1.097 -0.633 13.753) 13.812 1.205 ( 1.548 0.894 -6.491) 6.733 1.260 ( 3.274 1.890 -4.334) 5.751 1.602 ( 6.247 3.607 17.182) 18.635 2.213 ( -7.376 -4.259 -11.915) 14.647 3.738 ( 0.094 0.054 1.470) 1.474 3.860 ( -0.136 -0.079 -2.000) 2.006 3.908 ( 4.607 2.660 0.228) 5.325 3.927 ( 12.678 7.320 -5.141) 15.516 4.921 ( 0.654 0.377 1.170) 1.392 5.609 ( -11.031 -6.369 0.248) 12.740======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.837 ( 1.518 0.876 11.905) 12.033 0.883 ( -5.342 -3.084 9.954) 11.710 1.243 ( 2.666 1.539 -3.210) 4.448 1.349 ( 5.366 3.098 -2.178) 6.568 1.783 ( 6.324 3.651 2.723) 7.794 2.121 ( 2.429 1.403 -2.314) 3.636 3.747 ( 0.318 0.184 1.351) 1.400 3.847 ( -0.308 -0.178 -2.152) 2.182 4.031 ( 5.145 2.971 0.661) 5.978 4.190 ( 10.519 6.073 -6.276) 13.671 4.946 ( 1.243 0.717 0.371) 1.482 5.267 ( -17.759 -10.253 0.992) 20.531======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( -0.951 -0.549 8.238) 8.311 0.921 ( 2.775 1.602 6.816) 7.532 1.282 ( 0.698 0.403 0.365) 0.884 1.498 ( 7.719 4.456 -0.005) 8.913 1.922 ( 5.670 3.273 -0.959) 6.617 2.288 ( 11.239 6.489 -0.817) 13.003 3.762 ( 0.452 0.261 1.465) 1.555 3.838 ( 0.285 0.165 -2.182) 2.207 4.121 ( 2.527 1.459 -0.919) 3.059 4.370 ( 6.160 3.556 -4.174) 8.247 4.815 ( -19.080 -11.016 -1.800) 22.105 4.989 ( 0.758 0.437 4.154) 4.246======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 5.087 2.937 9.504) 11.172 0.997 ( 2.409 1.391 2.634) 3.830 1.278 ( -0.839 -0.485 1.071) 1.444 1.697 ( 8.889 5.132 0.846) 10.299 2.030 ( 3.496 2.018 -1.733) 4.393 2.596 ( 14.577 8.416 0.165) 16.833 3.772 ( 0.122 0.070 0.622) 0.638 3.855 ( 1.529 0.883 -0.902) 1.983 4.145 ( -1.071 -0.618 1.318) 1.808 4.327 ( -13.008 -7.510 -4.696) 15.738 4.514 ( 0.056 0.032 -1.264) 1.266 5.022 ( 0.565 0.326 3.846) 3.901======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( 0.000 -4.624 15.931) 16.588 1.014 ( 0.000 3.147 5.577) 6.404 1.184 ( -0.000 3.144 -4.785) 5.725 1.259 ( -0.000 4.972 -5.473) 7.395 1.659 ( 0.000 5.248 18.716) 19.438 2.165 ( -0.000 -8.072 -13.320) 15.575 3.743 ( 0.000 0.268 1.156) 1.186 3.842 ( -0.000 -0.843 -0.919) 1.248 3.875 ( -0.000 7.023 -0.563) 7.046 3.949 ( -0.000 11.378 -3.139) 11.803 4.923 ( 0.000 0.386 1.074) 1.142 5.616 ( -0.000 -11.654 -0.313) 11.658======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.816 ( -0.390 -3.001 11.831) 12.212 1.016 ( -2.419 1.509 0.604) 2.914 1.231 ( 0.667 5.014 -0.019) 5.058 1.320 ( 2.817 5.778 -4.226) 7.693 1.773 ( 1.795 5.308 6.379) 8.490 2.077 ( 1.399 -1.514 -4.370) 4.832 3.756 ( 0.205 0.828 0.897) 1.238 3.825 ( 0.203 -1.268 -1.131) 1.711 3.994 ( 4.553 4.554 1.643) 6.646 4.107 ( 5.378 11.286 -4.977) 13.456 4.935 ( 0.714 0.212 0.887) 1.158 5.389 ( -9.847 -14.649 -0.572) 17.660======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.800 ( 0.488 -2.126 3.885) 4.456 1.013 ( -1.971 4.762 3.617) 6.296 1.284 ( 0.446 2.101 1.814) 2.811 1.451 ( 5.046 7.783 -0.655) 9.299 1.880 ( 3.681 5.101 0.208) 6.294 2.180 ( 7.936 6.227 -1.081) 10.146 3.772 ( 0.107 1.363 1.019) 1.705 3.815 ( 0.631 -1.179 -1.667) 2.137 4.101 ( 2.376 3.314 -0.185) 4.082 4.292 ( 6.326 6.193 -2.562) 9.216 4.953 ( -0.802 0.189 -2.254) 2.400 5.013 ( -13.177 -15.491 3.103) 20.572======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.876 ( 5.246 4.056 5.521) 8.628 1.050 ( -1.209 5.158 4.188) 6.752 1.291 ( -1.014 -0.666 1.843) 2.207 1.637 ( 6.418 8.739 0.802) 10.872 1.995 ( 3.502 4.285 -0.523) 5.558 2.445 ( 12.782 9.965 -1.008) 16.239 3.786 ( -0.540 1.001 0.634) 1.302 3.822 ( 1.783 -0.348 -1.202) 2.178 4.145 ( 0.575 1.190 -0.693) 1.492 4.403 ( 0.311 1.862 -3.737) 4.187 4.592 ( -14.017 -9.534 -0.375) 16.956 4.991 ( 2.615 -2.919 4.084) 5.660======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( 0.000 0.263 8.999) 9.003 1.015 ( -0.000 -0.358 -5.827) 5.838 1.310 ( -0.000 3.108 -6.935) 7.599 1.313 ( 0.000 8.491 0.987) 8.549 1.827 ( 0.000 4.690 0.349) 4.703 2.057 ( 0.000 3.372 2.166) 4.008 3.760 ( 0.000 0.985 0.318) 1.035 3.820 ( 0.000 -1.049 0.286) 1.087 3.999 ( 0.000 5.157 2.730) 5.835 4.175 ( -0.000 11.289 -3.352) 11.777 4.929 ( 0.000 -1.284 1.982) 2.361 5.308 ( -0.000 -16.576 -3.214) 16.885======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( -3.338 1.026 -1.337) 3.739 1.037 ( 2.715 1.757 -2.114) 3.864 1.307 ( -0.162 1.652 -2.409) 2.926 1.451 ( 4.441 8.796 -0.720) 9.880 1.887 ( 1.896 5.369 -1.201) 5.819 2.161 ( 3.015 9.775 2.723) 10.586 3.779 ( 0.716 1.200 -0.410) 1.457 3.804 ( -0.641 -0.582 0.735) 1.136 4.089 ( 2.927 3.337 2.064) 4.895 4.286 ( 2.105 8.020 -0.994) 8.351 4.910 ( 0.809 -8.217 5.219) 9.768 5.067 ( -8.006 -10.663 -6.906) 15.016======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( 3.866 6.697 -0.000) 7.733 1.097 ( 1.609 2.786 0.000) 3.217 1.304 ( -0.561 -0.972 -0.000) 1.123 1.633 ( 5.627 9.746 -0.000) 11.253 1.989 ( 3.175 5.499 -0.000) 6.349 2.374 ( 7.580 13.130 -0.000) 15.161 3.796 ( -0.004 -0.007 -0.000) 0.008 3.801 ( 0.455 0.787 -0.000) 0.909 4.148 ( 0.700 1.213 -0.000) 1.400 4.395 ( 2.712 4.698 -0.000) 5.425 4.692 ( -9.189 -15.916 -0.000) 18.379 4.940 ( -0.757 -1.311 0.000) 1.513======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( -0.000 2.063 -5.982) 6.328 0.982 ( -0.000 1.278 -6.094) 6.227 1.303 ( -0.000 0.168 -3.853) 3.856 1.499 ( -0.000 9.633 -0.198) 9.635 1.921 ( -0.000 5.762 -0.620) 5.795 2.270 ( 0.000 13.694 3.094) 14.039 3.776 ( -0.000 0.500 -1.593) 1.670 3.817 ( 0.000 0.483 2.234) 2.286 4.103 ( 0.000 3.137 2.850) 4.239 4.344 ( 0.000 5.969 1.290) 6.107 4.785 ( 0.000 -18.246 4.033) 18.686 5.047 ( -0.000 -1.756 -7.616) 7.815======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.956 ( 0.000 -0.000 10.894) 10.894 0.956 ( 0.000 -0.000 10.894) 10.894 1.161 ( -0.000 0.000 -6.813) 6.813 1.161 ( -0.000 0.000 -6.813) 6.813 1.687 ( 0.000 -0.000 24.626) 24.626 2.209 ( -0.000 0.000 -20.417) 20.417 3.746 ( 0.000 -0.000 1.115) 1.115 3.746 ( 0.000 -0.000 1.115) 1.115 3.849 ( -0.000 0.000 -1.213) 1.213 3.849 ( -0.000 0.000 -1.213) 1.213 4.921 ( 0.000 -0.000 0.914) 0.914 5.741 ( -0.000 0.000 -0.197) 0.197======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( -1.900 -1.097 12.009) 12.208 1.010 ( -1.805 -1.042 0.990) 2.308 1.158 ( 3.022 1.744 -0.662) 3.551 1.215 ( 4.253 2.456 -4.985) 6.998 1.755 ( 0.121 0.070 13.906) 13.906 2.096 ( -2.560 -1.478 -11.686) 12.054 3.749 ( 0.085 0.049 0.769) 0.776 3.844 ( -0.283 -0.163 -1.319) 1.358 3.891 ( 9.300 5.369 -2.578) 11.044 3.913 ( 6.441 3.719 0.885) 7.490 4.929 ( 0.481 0.278 0.463) 0.724 5.611 ( -10.715 -6.187 0.205) 12.375======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( -4.095 -2.364 -2.845) 5.518 0.940 ( 0.194 0.112 9.825) 9.827 1.249 ( 3.141 1.814 4.751) 5.977 1.328 ( 6.437 3.716 -2.078) 7.718 1.811 ( 3.299 1.905 2.922) 4.801 2.090 ( 4.341 2.506 -3.968) 6.393 3.758 ( 0.502 0.290 0.816) 1.001 3.829 ( -0.528 -0.305 -1.603) 1.715 4.024 ( 4.858 2.805 -2.094) 5.988 4.159 ( 10.425 6.019 -0.359) 12.043 4.943 ( 0.376 0.217 -0.960) 1.054 5.282 ( -16.602 -9.585 2.228) 19.300======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 0.000 -3.811 12.381) 12.954 1.013 ( -0.000 -1.380 -6.174) 6.327 1.174 ( 0.000 5.772 2.923) 6.470 1.200 ( -0.000 4.931 -6.767) 8.373 1.799 ( 0.000 -0.837 7.801) 7.846 2.056 ( -0.000 -2.360 -6.526) 6.940 3.751 ( 0.000 0.159 0.411) 0.440 3.837 ( 0.000 -0.577 0.038) 0.578 3.876 ( 0.000 8.578 0.828) 8.618 3.926 ( -0.000 9.096 -1.829) 9.278 4.930 ( 0.000 0.429 0.333) 0.543 5.613 ( -0.000 -12.021 -0.267) 12.024======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( -3.141 -5.441 0.000) 6.283 1.000 ( 0.742 1.285 -0.000) 1.483 1.242 ( 2.082 3.606 -0.000) 4.164 1.291 ( 3.951 6.844 -0.000) 7.903 1.806 ( 0.988 1.711 0.000) 1.976 2.053 ( 1.211 2.097 -0.000) 2.422 3.760 ( 0.376 0.651 -0.000) 0.751 3.819 ( -0.483 -0.837 -0.000) 0.966 4.004 ( 3.148 5.452 0.000) 6.295 4.082 ( 6.283 10.883 -0.000) 12.566 4.939 ( 0.364 0.630 -0.000) 0.728 5.386 ( -9.010 -15.606 -0.000) 18.020======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.20e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( -0.000 0.000 -0.000) 0.000 1.024 ( -0.000 0.000 -0.000) 0.000 1.113 ( 0.000 -0.000 0.000) 0.000 1.113 ( 0.000 -0.000 0.000) 0.000 1.845 ( -0.000 0.000 -0.000) 0.000 2.070 ( 0.000 -0.000 0.000) 0.000 3.751 ( 0.000 -0.000 0.000) 0.000 3.751 ( 0.000 -0.000 0.000) 0.000 3.843 ( 0.000 -0.000 0.000) 0.000 3.843 ( 0.000 -0.000 0.000) 0.000 4.926 ( 0.000 -0.000 0.000) 0.000 5.740 ( 0.000 -0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 156.275 156.275 222.045 -0.000 0.000 -0.000 3/32928 20.0 38.593 38.593 42.932 -0.000 0.000 -0.000 3/32928 30.0 20.764 20.764 20.866 -0.000 0.000 -0.000 3/32928 40.0 13.975 13.975 13.351 -0.000 0.000 -0.000 3/32928 50.0 10.516 10.516 9.749 -0.000 0.000 -0.000 3/32928 60.0 8.469 8.469 7.694 -0.000 0.000 -0.000 3/32928 70.0 7.125 7.125 6.379 -0.000 0.000 -0.000 3/32928 80.0 6.172 6.172 5.467 -0.000 0.000 -0.000 3/32928 90.0 5.458 5.458 4.795 -0.000 0.000 -0.000 3/32928 100.0 4.901 4.901 4.277 -0.000 0.000 -0.000 3/32928 110.0 4.452 4.452 3.866 -0.000 0.000 -0.000 3/32928 120.0 4.081 4.081 3.529 -0.000 0.000 -0.000 3/32928 130.0 3.770 3.770 3.249 -0.000 0.000 -0.000 3/32928 140.0 3.504 3.504 3.012 -0.000 0.000 -0.000 3/32928 150.0 3.274 3.274 2.807 -0.000 0.000 -0.000 3/32928 160.0 3.073 3.073 2.630 -0.000 0.000 -0.000 3/32928 170.0 2.896 2.896 2.474 -0.000 0.000 -0.000 3/32928 180.0 2.738 2.738 2.336 -0.000 0.000 -0.000 3/32928 190.0 2.597 2.597 2.213 -0.000 0.000 -0.000 3/32928 200.0 2.470 2.470 2.102 -0.000 0.000 -0.000 3/32928 210.0 2.355 2.355 2.002 -0.000 0.000 -0.000 3/32928 220.0 2.250 2.250 1.911 -0.000 0.000 -0.000 3/32928 230.0 2.154 2.154 1.828 -0.000 0.000 -0.000 3/32928 240.0 2.066 2.066 1.753 -0.000 0.000 -0.000 3/32928 250.0 1.986 1.986 1.683 -0.000 0.000 -0.000 3/32928 260.0 1.911 1.911 1.618 -0.000 0.000 -0.000 3/32928 270.0 1.841 1.841 1.559 -0.000 0.000 -0.000 3/32928 280.0 1.777 1.777 1.504 -0.000 0.000 -0.000 3/32928 290.0 1.717 1.717 1.452 -0.000 0.000 -0.000 3/32928 300.0 1.661 1.661 1.404 -0.000 0.000 -0.000 3/32928 310.0 1.608 1.608 1.359 -0.000 0.000 -0.000 3/32928 320.0 1.559 1.559 1.317 -0.000 0.000 -0.000 3/32928 330.0 1.512 1.512 1.277 -0.000 0.000 -0.000 3/32928 340.0 1.469 1.469 1.240 -0.000 0.000 -0.000 3/32928 350.0 1.427 1.427 1.205 -0.000 0.000 -0.000 3/32928 360.0 1.388 1.388 1.172 -0.000 0.000 -0.000 3/32928 370.0 1.352 1.352 1.140 -0.000 0.000 -0.000 3/32928 380.0 1.317 1.317 1.111 -0.000 0.000 -0.000 3/32928 390.0 1.283 1.283 1.082 -0.000 0.000 -0.000 3/32928 400.0 1.252 1.252 1.056 -0.000 0.000 -0.000 3/32928 410.0 1.222 1.222 1.030 -0.000 0.000 -0.000 3/32928 420.0 1.193 1.193 1.006 -0.000 0.000 -0.000 3/32928 430.0 1.166 1.166 0.982 -0.000 0.000 -0.000 3/32928 440.0 1.140 1.140 0.960 -0.000 0.000 -0.000 3/32928 450.0 1.115 1.115 0.939 -0.000 0.000 -0.000 3/32928 460.0 1.091 1.091 0.919 -0.000 0.000 -0.000 3/32928 470.0 1.068 1.068 0.900 -0.000 0.000 -0.000 3/32928 480.0 1.046 1.046 0.881 -0.000 0.000 -0.000 3/32928 490.0 1.025 1.025 0.863 -0.000 0.000 -0.000 3/32928 500.0 1.005 1.005 0.846 -0.000 0.000 -0.000 3/32928 510.0 0.985 0.985 0.829 -0.000 0.000 -0.000 3/32928 520.0 0.967 0.967 0.814 -0.000 0.000 -0.000 3/32928 530.0 0.948 0.948 0.798 -0.000 0.000 -0.000 3/32928 540.0 0.931 0.931 0.784 -0.000 0.000 -0.000 3/32928 550.0 0.914 0.914 0.770 -0.000 0.000 -0.000 3/32928 560.0 0.898 0.898 0.756 -0.000 0.000 -0.000 3/32928 570.0 0.883 0.883 0.743 -0.000 0.000 -0.000 3/32928 580.0 0.868 0.868 0.730 -0.000 0.000 -0.000 3/32928 590.0 0.853 0.853 0.718 -0.000 0.000 -0.000 3/32928 600.0 0.839 0.839 0.706 -0.000 0.000 -0.000 3/32928 610.0 0.825 0.825 0.694 -0.000 0.000 -0.000 3/32928 620.0 0.812 0.812 0.683 -0.000 0.000 -0.000 3/32928 630.0 0.800 0.800 0.673 -0.000 0.000 -0.000 3/32928 640.0 0.787 0.787 0.662 -0.000 0.000 -0.000 3/32928 650.0 0.775 0.775 0.652 -0.000 0.000 -0.000 3/32928 660.0 0.764 0.764 0.642 -0.000 0.000 -0.000 3/32928 670.0 0.752 0.752 0.633 -0.000 0.000 -0.000 3/32928 680.0 0.741 0.741 0.623 -0.000 0.000 -0.000 3/32928 690.0 0.731 0.731 0.614 -0.000 0.000 -0.000 3/32928 700.0 0.720 0.720 0.606 -0.000 0.000 -0.000 3/32928 710.0 0.710 0.710 0.597 -0.000 0.000 -0.000 3/32928 720.0 0.701 0.701 0.589 -0.000 0.000 -0.000 3/32928 730.0 0.691 0.691 0.581 -0.000 0.000 -0.000 3/32928 740.0 0.682 0.682 0.573 -0.000 0.000 -0.000 3/32928 750.0 0.673 0.673 0.566 -0.000 0.000 -0.000 3/32928 760.0 0.664 0.664 0.558 -0.000 0.000 -0.000 3/32928 770.0 0.656 0.656 0.551 -0.000 0.000 -0.000 3/32928 780.0 0.647 0.647 0.544 -0.000 0.000 -0.000 3/32928 790.0 0.639 0.639 0.537 -0.000 0.000 -0.000 3/32928 800.0 0.631 0.631 0.530 -0.000 0.000 -0.000 3/32928 810.0 0.623 0.623 0.524 -0.000 0.000 -0.000 3/32928 820.0 0.616 0.616 0.518 -0.000 0.000 -0.000 3/32928 830.0 0.609 0.609 0.511 -0.000 0.000 -0.000 3/32928 840.0 0.601 0.601 0.505 -0.000 0.000 -0.000 3/32928 850.0 0.594 0.594 0.499 -0.000 0.000 -0.000 3/32928 860.0 0.587 0.587 0.494 -0.000 0.000 -0.000 3/32928 870.0 0.581 0.581 0.488 -0.000 0.000 -0.000 3/32928 880.0 0.574 0.574 0.482 -0.000 0.000 -0.000 3/32928 890.0 0.568 0.568 0.477 -0.000 0.000 -0.000 3/32928 900.0 0.562 0.562 0.472 -0.000 0.000 -0.000 3/32928 910.0 0.555 0.555 0.467 -0.000 0.000 -0.000 3/32928 920.0 0.549 0.549 0.462 -0.000 0.000 -0.000 3/32928 930.0 0.544 0.544 0.457 -0.000 0.000 -0.000 3/32928 940.0 0.538 0.538 0.452 -0.000 0.000 -0.000 3/32928 950.0 0.532 0.532 0.447 -0.000 0.000 -0.000 3/32928 960.0 0.527 0.527 0.442 -0.000 0.000 -0.000 3/32928 970.0 0.521 0.521 0.438 -0.000 0.000 -0.000 3/32928 980.0 0.516 0.516 0.433 -0.000 0.000 -0.000 3/32928 990.0 0.511 0.511 0.429 -0.000 0.000 -0.000 3/32928 1000.0 0.506 0.506 0.425 -0.000 0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 17:55:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|