# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/5df6eb86-22aa-4fd4-b6cb-8b3ca7a02a4b/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 Be3N2 / P6_3/mmc (194) / materials id 6977](https://mdr.nims.go.jp/datasets/a64a0022-1783-4165-b97c-751b96c6c121) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:09:48]-------------------------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: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)Number of symmetry operations in supercell: 216------------------------------ primitive cell ------------------------------Lattice vectors: a 2.839750873917808 0.000000000000000 0.000000000000000 b -1.419875436958904 2.459296397231882 0.000000000000000 c 0.000000000000000 0.000000000000000 9.720936730000000Atomic positions (fractional): *1 Be 0.66666666666667 0.33333333333333 0.92178368890573 9.012 2 Be 0.33333333333333 0.66666666666667 0.42178368890573 9.012 3 Be 0.33333333333333 0.66666666666667 0.07821631109427 9.012 4 Be 0.66666666666667 0.33333333333333 0.57821631109427 9.012 *5 Be 0.00000000000000 0.00000000000000 0.75000000000000 9.012 6 Be 0.00000000000000 0.00000000000000 0.25000000000000 9.012 *7 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 8 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 *9 N 0.66666666666667 0.33333333333333 0.75000000000000 14.007 10 N 0.33333333333333 0.66666666666667 0.25000000000000 14.007-------------------------------- unit cell ---------------------------------Lattice vectors: a 2.839750873917808 0.000000000000000 0.000000000000000 b -1.419875436958904 2.459296397231882 0.000000000000000 c 0.000000000000000 0.000000000000000 9.720936730000000Atomic positions (fractional): *1 Be 0.66666666666667 0.33333333333333 0.92178368890573 9.012 > 1 2 Be 0.33333333333333 0.66666666666667 0.42178368890573 9.012 > 2 3 Be 0.33333333333333 0.66666666666667 0.07821631109427 9.012 > 3 4 Be 0.66666666666667 0.33333333333333 0.57821631109427 9.012 > 4 *5 Be 0.00000000000000 0.00000000000000 0.75000000000000 9.012 > 5 6 Be 0.00000000000000 0.00000000000000 0.25000000000000 9.012 > 6 *7 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 7 8 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 8 *9 N 0.66666666666667 0.33333333333333 0.75000000000000 14.007 > 9 10 N 0.33333333333333 0.66666666666667 0.25000000000000 14.007 > 10-------------------------------- super cell --------------------------------Lattice vectors: a 8.519252621753424 0.000000000000000 0.000000000000000 b -4.259626310876712 7.377889191695647 0.000000000000000 c 0.000000000000000 0.000000000000000 9.720936730000000Atomic positions (fractional): *1 Be 0.22222222222222 0.11111111111111 0.92178368890573 9.012 > 1 2 Be 0.55555555555556 0.11111111111111 0.92178368890573 9.012 > 1 3 Be 0.88888888888889 0.11111111111111 0.92178368890573 9.012 > 1 4 Be 0.22222222222222 0.44444444444444 0.92178368890573 9.012 > 1 5 Be 0.55555555555556 0.44444444444444 0.92178368890573 9.012 > 1 6 Be 0.88888888888889 0.44444444444444 0.92178368890573 9.012 > 1 7 Be 0.22222222222222 0.77777777777778 0.92178368890573 9.012 > 1 8 Be 0.55555555555556 0.77777777777778 0.92178368890573 9.012 > 1 9 Be 0.88888888888889 0.77777777777778 0.92178368890573 9.012 > 1 10 Be 0.11111111111111 0.22222222222222 0.42178368890573 9.012 > 2 11 Be 0.44444444444444 0.22222222222222 0.42178368890573 9.012 > 2 12 Be 0.77777777777778 0.22222222222222 0.42178368890573 9.012 > 2 13 Be 0.11111111111111 0.55555555555556 0.42178368890573 9.012 > 2 14 Be 0.44444444444444 0.55555555555556 0.42178368890573 9.012 > 2 15 Be 0.77777777777778 0.55555555555556 0.42178368890573 9.012 > 2 16 Be 0.11111111111111 0.88888888888889 0.42178368890573 9.012 > 2 17 Be 0.44444444444444 0.88888888888889 0.42178368890573 9.012 > 2 18 Be 0.77777777777778 0.88888888888889 0.42178368890573 9.012 > 2 19 Be 0.11111111111111 0.22222222222222 0.07821631109427 9.012 > 3 20 Be 0.44444444444444 0.22222222222222 0.07821631109427 9.012 > 3 21 Be 0.77777777777778 0.22222222222222 0.07821631109427 9.012 > 3 22 Be 0.11111111111111 0.55555555555556 0.07821631109427 9.012 > 3 23 Be 0.44444444444444 0.55555555555556 0.07821631109427 9.012 > 3 24 Be 0.77777777777778 0.55555555555556 0.07821631109427 9.012 > 3 25 Be 0.11111111111111 0.88888888888889 0.07821631109427 9.012 > 3 26 Be 0.44444444444444 0.88888888888889 0.07821631109427 9.012 > 3 27 Be 0.77777777777778 0.88888888888889 0.07821631109427 9.012 > 3 28 Be 0.22222222222222 0.11111111111111 0.57821631109427 9.012 > 4 29 Be 0.55555555555556 0.11111111111111 0.57821631109427 9.012 > 4 30 Be 0.88888888888889 0.11111111111111 0.57821631109427 9.012 > 4 31 Be 0.22222222222222 0.44444444444444 0.57821631109427 9.012 > 4 32 Be 0.55555555555556 0.44444444444444 0.57821631109427 9.012 > 4 33 Be 0.88888888888889 0.44444444444444 0.57821631109427 9.012 > 4 34 Be 0.22222222222222 0.77777777777778 0.57821631109427 9.012 > 4 35 Be 0.55555555555556 0.77777777777778 0.57821631109427 9.012 > 4 36 Be 0.88888888888889 0.77777777777778 0.57821631109427 9.012 > 4 *37 Be 0.00000000000000 0.00000000000000 0.75000000000000 9.012 > 5 38 Be 0.33333333333333 0.00000000000000 0.75000000000000 9.012 > 5 39 Be 0.66666666666667 0.00000000000000 0.75000000000000 9.012 > 5 40 Be 0.00000000000000 0.33333333333333 0.75000000000000 9.012 > 5 41 Be 0.33333333333333 0.33333333333333 0.75000000000000 9.012 > 5 42 Be 0.66666666666667 0.33333333333333 0.75000000000000 9.012 > 5 43 Be 0.00000000000000 0.66666666666667 0.75000000000000 9.012 > 5 44 Be 0.33333333333333 0.66666666666667 0.75000000000000 9.012 > 5 45 Be 0.66666666666667 0.66666666666667 0.75000000000000 9.012 > 5 46 Be 0.00000000000000 0.00000000000000 0.25000000000000 9.012 > 6 47 Be 0.33333333333333 0.00000000000000 0.25000000000000 9.012 > 6 48 Be 0.66666666666667 0.00000000000000 0.25000000000000 9.012 > 6 49 Be 0.00000000000000 0.33333333333333 0.25000000000000 9.012 > 6 50 Be 0.33333333333333 0.33333333333333 0.25000000000000 9.012 > 6 51 Be 0.66666666666667 0.33333333333333 0.25000000000000 9.012 > 6 52 Be 0.00000000000000 0.66666666666667 0.25000000000000 9.012 > 6 53 Be 0.33333333333333 0.66666666666667 0.25000000000000 9.012 > 6 54 Be 0.66666666666667 0.66666666666667 0.25000000000000 9.012 > 6 *55 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 7 56 N 0.33333333333333 0.00000000000000 0.00000000000000 14.007 > 7 57 N 0.66666666666667 0.00000000000000 0.00000000000000 14.007 > 7 58 N 0.00000000000000 0.33333333333333 0.00000000000000 14.007 > 7 59 N 0.33333333333333 0.33333333333333 0.00000000000000 14.007 > 7 60 N 0.66666666666667 0.33333333333333 0.00000000000000 14.007 > 7 61 N 0.00000000000000 0.66666666666667 0.00000000000000 14.007 > 7 62 N 0.33333333333333 0.66666666666667 0.00000000000000 14.007 > 7 63 N 0.66666666666667 0.66666666666667 0.00000000000000 14.007 > 7 64 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 8 65 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 8 66 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 8 67 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 8 68 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 8 69 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 8 70 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 8 71 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 8 72 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 8 *73 N 0.22222222222222 0.11111111111111 0.75000000000000 14.007 > 9 74 N 0.55555555555556 0.11111111111111 0.75000000000000 14.007 > 9 75 N 0.88888888888889 0.11111111111111 0.75000000000000 14.007 > 9 76 N 0.22222222222222 0.44444444444444 0.75000000000000 14.007 > 9 77 N 0.55555555555556 0.44444444444444 0.75000000000000 14.007 > 9 78 N 0.88888888888889 0.44444444444444 0.75000000000000 14.007 > 9 79 N 0.22222222222222 0.77777777777778 0.75000000000000 14.007 > 9 80 N 0.55555555555556 0.77777777777778 0.75000000000000 14.007 > 9 81 N 0.88888888888889 0.77777777777778 0.75000000000000 14.007 > 9 82 N 0.11111111111111 0.22222222222222 0.25000000000000 14.007 > 10 83 N 0.44444444444444 0.22222222222222 0.25000000000000 14.007 > 10 84 N 0.77777777777778 0.22222222222222 0.25000000000000 14.007 > 10 85 N 0.11111111111111 0.55555555555556 0.25000000000000 14.007 > 10 86 N 0.44444444444444 0.55555555555556 0.25000000000000 14.007 > 10 87 N 0.77777777777778 0.55555555555556 0.25000000000000 14.007 > 10 88 N 0.11111111111111 0.88888888888889 0.25000000000000 14.007 > 10 89 N 0.44444444444444 0.88888888888889 0.25000000000000 14.007 > 10 90 N 0.77777777777778 0.88888888888889 0.25000000000000 14.007 > 10----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5394436 0.0000000 0.0000000 0.0000000 4.5394436 0.0000000 0.0000000 0.0000000 5.5722318-------------------------- Born effective charges -------------------------- 1 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 2 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 3 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 4 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 5 Be 1.6371293 -0.0000000 0.0000000 0.0000000 1.6371293 0.0000000 0.0000000 0.0000000 2.0657057 6 Be 1.6371293 -0.0000000 0.0000000 0.0000000 1.6371293 0.0000000 0.0000000 0.0000000 2.0657057 7 N -2.8599662 0.0000000 0.0000000 0.0000000 -2.8599662 0.0000000 0.0000000 0.0000000 -2.6124559 8 N -2.8599662 0.0000000 0.0000000 0.0000000 -2.8599662 0.0000000 0.0000000 0.0000000 -2.6124559 9 N -2.1402248 0.0000000 0.0000000 0.0000000 -2.1402248 0.0000000 0.0000000 0.0000000 -3.1264981 10 N -2.1402248 0.0000000 0.0000000 0.0000000 -2.1402248 0.0000000 0.0000000 0.0000000 -3.1264981----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 270/270Permutation basis: 4395/4395Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 233Number of blocks in projector: 216Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 114Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 63Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (233, 225), data: False|-- (56, 56), data: True|-- (63, 59), data: True|-- (114, 110), data: True-----Solver_atoms: 1 -- 90 / 90Time (Solver_compr_matrix_reshape): 0.003Solver_block: 80 / 80 - Time: 0.108Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.112--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 270/270Permutation basis: 4395/4395Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 233Number of blocks in projector: 216Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 114Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 63Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (233, 225), data: False|-- (56, 56), data: True|-- (63, 59), data: True|-- (114, 110), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:09:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:09:53]-------------------------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: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.839750873917808 0.000000000000000 0.000000000000000 b -1.419875436958904 2.459296397231882 0.000000000000000 c 0.000000000000000 0.000000000000000 9.720936730000000Atomic positions (fractional): 1 Be 0.66666666666667 0.33333333333333 0.92178368890573 9.012 2 Be 0.33333333333333 0.66666666666667 0.42178368890573 9.012 3 Be 0.33333333333333 0.66666666666667 0.07821631109427 9.012 4 Be 0.66666666666667 0.33333333333333 0.57821631109427 9.012 5 Be 0.00000000000000 0.00000000000000 0.75000000000000 9.012 6 Be 0.00000000000000 0.00000000000000 0.25000000000000 9.012 7 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 8 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 9 N 0.66666666666667 0.33333333333333 0.75000000000000 14.007 10 N 0.33333333333333 0.66666666666667 0.25000000000000 14.007-------------------------------- supercell ---------------------------------Lattice vectors: a 8.519252621753424 0.000000000000000 0.000000000000000 b -4.259626310876712 7.377889191695647 0.000000000000000 c 0.000000000000000 0.000000000000000 9.720936730000000Atomic positions (fractional): 1 Be 0.22222222222222 0.11111111111111 0.92178368890573 9.012 > 1 2 Be 0.55555555555556 0.11111111111111 0.92178368890573 9.012 > 1 3 Be 0.88888888888889 0.11111111111111 0.92178368890573 9.012 > 1 4 Be 0.22222222222222 0.44444444444444 0.92178368890573 9.012 > 1 5 Be 0.55555555555556 0.44444444444444 0.92178368890573 9.012 > 1 6 Be 0.88888888888889 0.44444444444444 0.92178368890573 9.012 > 1 7 Be 0.22222222222222 0.77777777777778 0.92178368890573 9.012 > 1 8 Be 0.55555555555556 0.77777777777778 0.92178368890573 9.012 > 1 9 Be 0.88888888888889 0.77777777777778 0.92178368890573 9.012 > 1 10 Be 0.11111111111111 0.22222222222222 0.42178368890573 9.012 > 10 11 Be 0.44444444444444 0.22222222222222 0.42178368890573 9.012 > 10 12 Be 0.77777777777778 0.22222222222222 0.42178368890573 9.012 > 10 13 Be 0.11111111111111 0.55555555555556 0.42178368890573 9.012 > 10 14 Be 0.44444444444444 0.55555555555556 0.42178368890573 9.012 > 10 15 Be 0.77777777777778 0.55555555555556 0.42178368890573 9.012 > 10 16 Be 0.11111111111111 0.88888888888889 0.42178368890573 9.012 > 10 17 Be 0.44444444444444 0.88888888888889 0.42178368890573 9.012 > 10 18 Be 0.77777777777778 0.88888888888889 0.42178368890573 9.012 > 10 19 Be 0.11111111111111 0.22222222222222 0.07821631109427 9.012 > 19 20 Be 0.44444444444444 0.22222222222222 0.07821631109427 9.012 > 19 21 Be 0.77777777777778 0.22222222222222 0.07821631109427 9.012 > 19 22 Be 0.11111111111111 0.55555555555556 0.07821631109427 9.012 > 19 23 Be 0.44444444444444 0.55555555555556 0.07821631109427 9.012 > 19 24 Be 0.77777777777778 0.55555555555556 0.07821631109427 9.012 > 19 25 Be 0.11111111111111 0.88888888888889 0.07821631109427 9.012 > 19 26 Be 0.44444444444444 0.88888888888889 0.07821631109427 9.012 > 19 27 Be 0.77777777777778 0.88888888888889 0.07821631109427 9.012 > 19 28 Be 0.22222222222222 0.11111111111111 0.57821631109427 9.012 > 28 29 Be 0.55555555555556 0.11111111111111 0.57821631109427 9.012 > 28 30 Be 0.88888888888889 0.11111111111111 0.57821631109427 9.012 > 28 31 Be 0.22222222222222 0.44444444444444 0.57821631109427 9.012 > 28 32 Be 0.55555555555556 0.44444444444444 0.57821631109427 9.012 > 28 33 Be 0.88888888888889 0.44444444444444 0.57821631109427 9.012 > 28 34 Be 0.22222222222222 0.77777777777778 0.57821631109427 9.012 > 28 35 Be 0.55555555555556 0.77777777777778 0.57821631109427 9.012 > 28 36 Be 0.88888888888889 0.77777777777778 0.57821631109427 9.012 > 28 37 Be 0.00000000000000 0.00000000000000 0.75000000000000 9.012 > 37 38 Be 0.33333333333333 0.00000000000000 0.75000000000000 9.012 > 37 39 Be 0.66666666666667 0.00000000000000 0.75000000000000 9.012 > 37 40 Be 0.00000000000000 0.33333333333333 0.75000000000000 9.012 > 37 41 Be 0.33333333333333 0.33333333333333 0.75000000000000 9.012 > 37 42 Be 0.66666666666667 0.33333333333333 0.75000000000000 9.012 > 37 43 Be 0.00000000000000 0.66666666666667 0.75000000000000 9.012 > 37 44 Be 0.33333333333333 0.66666666666667 0.75000000000000 9.012 > 37 45 Be 0.66666666666667 0.66666666666667 0.75000000000000 9.012 > 37 46 Be 0.00000000000000 0.00000000000000 0.25000000000000 9.012 > 46 47 Be 0.33333333333333 0.00000000000000 0.25000000000000 9.012 > 46 48 Be 0.66666666666667 0.00000000000000 0.25000000000000 9.012 > 46 49 Be 0.00000000000000 0.33333333333333 0.25000000000000 9.012 > 46 50 Be 0.33333333333333 0.33333333333333 0.25000000000000 9.012 > 46 51 Be 0.66666666666667 0.33333333333333 0.25000000000000 9.012 > 46 52 Be 0.00000000000000 0.66666666666667 0.25000000000000 9.012 > 46 53 Be 0.33333333333333 0.66666666666667 0.25000000000000 9.012 > 46 54 Be 0.66666666666667 0.66666666666667 0.25000000000000 9.012 > 46 55 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 55 56 N 0.33333333333333 0.00000000000000 0.00000000000000 14.007 > 55 57 N 0.66666666666667 0.00000000000000 0.00000000000000 14.007 > 55 58 N 0.00000000000000 0.33333333333333 0.00000000000000 14.007 > 55 59 N 0.33333333333333 0.33333333333333 0.00000000000000 14.007 > 55 60 N 0.66666666666667 0.33333333333333 0.00000000000000 14.007 > 55 61 N 0.00000000000000 0.66666666666667 0.00000000000000 14.007 > 55 62 N 0.33333333333333 0.66666666666667 0.00000000000000 14.007 > 55 63 N 0.66666666666667 0.66666666666667 0.00000000000000 14.007 > 55 64 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 64 65 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 64 66 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 64 67 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 64 68 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 64 69 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 64 70 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 64 71 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 64 72 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 64 73 N 0.22222222222222 0.11111111111111 0.75000000000000 14.007 > 73 74 N 0.55555555555556 0.11111111111111 0.75000000000000 14.007 > 73 75 N 0.88888888888889 0.11111111111111 0.75000000000000 14.007 > 73 76 N 0.22222222222222 0.44444444444444 0.75000000000000 14.007 > 73 77 N 0.55555555555556 0.44444444444444 0.75000000000000 14.007 > 73 78 N 0.88888888888889 0.44444444444444 0.75000000000000 14.007 > 73 79 N 0.22222222222222 0.77777777777778 0.75000000000000 14.007 > 73 80 N 0.55555555555556 0.77777777777778 0.75000000000000 14.007 > 73 81 N 0.88888888888889 0.77777777777778 0.75000000000000 14.007 > 73 82 N 0.11111111111111 0.22222222222222 0.25000000000000 14.007 > 82 83 N 0.44444444444444 0.22222222222222 0.25000000000000 14.007 > 82 84 N 0.77777777777778 0.22222222222222 0.25000000000000 14.007 > 82 85 N 0.11111111111111 0.55555555555556 0.25000000000000 14.007 > 82 86 N 0.44444444444444 0.55555555555556 0.25000000000000 14.007 > 82 87 N 0.77777777777778 0.55555555555556 0.25000000000000 14.007 > 82 88 N 0.11111111111111 0.88888888888889 0.25000000000000 14.007 > 82 89 N 0.44444444444444 0.88888888888889 0.25000000000000 14.007 > 82 90 N 0.77777777777778 0.88888888888889 0.25000000000000 14.007 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5394436 0.0000000 0.0000000 0.0000000 4.5394436 0.0000000 0.0000000 0.0000000 5.5722318-------------------------- Born effective charges -------------------------- 1 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 2 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 3 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 4 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 5 Be 1.6371293 -0.0000000 0.0000000 0.0000000 1.6371293 0.0000000 0.0000000 0.0000000 2.0657057 6 Be 1.6371293 -0.0000000 0.0000000 0.0000000 1.6371293 0.0000000 0.0000000 0.0000000 2.0657057 7 N -2.8599662 0.0000000 0.0000000 0.0000000 -2.8599662 0.0000000 0.0000000 0.0000000 -2.6124559 8 N -2.8599662 0.0000000 0.0000000 0.0000000 -2.8599662 0.0000000 0.0000000 0.0000000 -2.6124559 9 N -2.1402248 0.0000000 0.0000000 0.0000000 -2.1402248 0.0000000 0.0000000 0.0000000 -3.1264981 10 N -2.1402248 0.0000000 0.0000000 0.0000000 -2.1402248 0.0000000 0.0000000 0.0000000 -3.1264981----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:09:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:09:59]-------------------------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: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.839750873917808 0.000000000000000 0.000000000000000 b -1.419875436958904 2.459296397231882 0.000000000000000 c 0.000000000000000 0.000000000000000 9.720936730000000Atomic positions (fractional): 1 Be 0.66666666666667 0.33333333333333 0.92178368890573 9.012 2 Be 0.33333333333333 0.66666666666667 0.42178368890573 9.012 3 Be 0.33333333333333 0.66666666666667 0.07821631109427 9.012 4 Be 0.66666666666667 0.33333333333333 0.57821631109427 9.012 5 Be 0.00000000000000 0.00000000000000 0.75000000000000 9.012 6 Be 0.00000000000000 0.00000000000000 0.25000000000000 9.012 7 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 8 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 9 N 0.66666666666667 0.33333333333333 0.75000000000000 14.007 10 N 0.33333333333333 0.66666666666667 0.25000000000000 14.007-------------------------------- supercell ---------------------------------Lattice vectors: a 8.519252621753424 0.000000000000000 0.000000000000000 b -4.259626310876712 7.377889191695647 0.000000000000000 c 0.000000000000000 0.000000000000000 9.720936730000000Atomic positions (fractional): 1 Be 0.22222222222222 0.11111111111111 0.92178368890573 9.012 > 1 2 Be 0.55555555555556 0.11111111111111 0.92178368890573 9.012 > 1 3 Be 0.88888888888889 0.11111111111111 0.92178368890573 9.012 > 1 4 Be 0.22222222222222 0.44444444444444 0.92178368890573 9.012 > 1 5 Be 0.55555555555556 0.44444444444444 0.92178368890573 9.012 > 1 6 Be 0.88888888888889 0.44444444444444 0.92178368890573 9.012 > 1 7 Be 0.22222222222222 0.77777777777778 0.92178368890573 9.012 > 1 8 Be 0.55555555555556 0.77777777777778 0.92178368890573 9.012 > 1 9 Be 0.88888888888889 0.77777777777778 0.92178368890573 9.012 > 1 10 Be 0.11111111111111 0.22222222222222 0.42178368890573 9.012 > 10 11 Be 0.44444444444444 0.22222222222222 0.42178368890573 9.012 > 10 12 Be 0.77777777777778 0.22222222222222 0.42178368890573 9.012 > 10 13 Be 0.11111111111111 0.55555555555556 0.42178368890573 9.012 > 10 14 Be 0.44444444444444 0.55555555555556 0.42178368890573 9.012 > 10 15 Be 0.77777777777778 0.55555555555556 0.42178368890573 9.012 > 10 16 Be 0.11111111111111 0.88888888888889 0.42178368890573 9.012 > 10 17 Be 0.44444444444444 0.88888888888889 0.42178368890573 9.012 > 10 18 Be 0.77777777777778 0.88888888888889 0.42178368890573 9.012 > 10 19 Be 0.11111111111111 0.22222222222222 0.07821631109427 9.012 > 19 20 Be 0.44444444444444 0.22222222222222 0.07821631109427 9.012 > 19 21 Be 0.77777777777778 0.22222222222222 0.07821631109427 9.012 > 19 22 Be 0.11111111111111 0.55555555555556 0.07821631109427 9.012 > 19 23 Be 0.44444444444444 0.55555555555556 0.07821631109427 9.012 > 19 24 Be 0.77777777777778 0.55555555555556 0.07821631109427 9.012 > 19 25 Be 0.11111111111111 0.88888888888889 0.07821631109427 9.012 > 19 26 Be 0.44444444444444 0.88888888888889 0.07821631109427 9.012 > 19 27 Be 0.77777777777778 0.88888888888889 0.07821631109427 9.012 > 19 28 Be 0.22222222222222 0.11111111111111 0.57821631109427 9.012 > 28 29 Be 0.55555555555556 0.11111111111111 0.57821631109427 9.012 > 28 30 Be 0.88888888888889 0.11111111111111 0.57821631109427 9.012 > 28 31 Be 0.22222222222222 0.44444444444444 0.57821631109427 9.012 > 28 32 Be 0.55555555555556 0.44444444444444 0.57821631109427 9.012 > 28 33 Be 0.88888888888889 0.44444444444444 0.57821631109427 9.012 > 28 34 Be 0.22222222222222 0.77777777777778 0.57821631109427 9.012 > 28 35 Be 0.55555555555556 0.77777777777778 0.57821631109427 9.012 > 28 36 Be 0.88888888888889 0.77777777777778 0.57821631109427 9.012 > 28 37 Be 0.00000000000000 0.00000000000000 0.75000000000000 9.012 > 37 38 Be 0.33333333333333 0.00000000000000 0.75000000000000 9.012 > 37 39 Be 0.66666666666667 0.00000000000000 0.75000000000000 9.012 > 37 40 Be 0.00000000000000 0.33333333333333 0.75000000000000 9.012 > 37 41 Be 0.33333333333333 0.33333333333333 0.75000000000000 9.012 > 37 42 Be 0.66666666666667 0.33333333333333 0.75000000000000 9.012 > 37 43 Be 0.00000000000000 0.66666666666667 0.75000000000000 9.012 > 37 44 Be 0.33333333333333 0.66666666666667 0.75000000000000 9.012 > 37 45 Be 0.66666666666667 0.66666666666667 0.75000000000000 9.012 > 37 46 Be 0.00000000000000 0.00000000000000 0.25000000000000 9.012 > 46 47 Be 0.33333333333333 0.00000000000000 0.25000000000000 9.012 > 46 48 Be 0.66666666666667 0.00000000000000 0.25000000000000 9.012 > 46 49 Be 0.00000000000000 0.33333333333333 0.25000000000000 9.012 > 46 50 Be 0.33333333333333 0.33333333333333 0.25000000000000 9.012 > 46 51 Be 0.66666666666667 0.33333333333333 0.25000000000000 9.012 > 46 52 Be 0.00000000000000 0.66666666666667 0.25000000000000 9.012 > 46 53 Be 0.33333333333333 0.66666666666667 0.25000000000000 9.012 > 46 54 Be 0.66666666666667 0.66666666666667 0.25000000000000 9.012 > 46 55 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 55 56 N 0.33333333333333 0.00000000000000 0.00000000000000 14.007 > 55 57 N 0.66666666666667 0.00000000000000 0.00000000000000 14.007 > 55 58 N 0.00000000000000 0.33333333333333 0.00000000000000 14.007 > 55 59 N 0.33333333333333 0.33333333333333 0.00000000000000 14.007 > 55 60 N 0.66666666666667 0.33333333333333 0.00000000000000 14.007 > 55 61 N 0.00000000000000 0.66666666666667 0.00000000000000 14.007 > 55 62 N 0.33333333333333 0.66666666666667 0.00000000000000 14.007 > 55 63 N 0.66666666666667 0.66666666666667 0.00000000000000 14.007 > 55 64 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 64 65 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 64 66 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 64 67 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 64 68 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 64 69 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 64 70 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 64 71 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 64 72 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 64 73 N 0.22222222222222 0.11111111111111 0.75000000000000 14.007 > 73 74 N 0.55555555555556 0.11111111111111 0.75000000000000 14.007 > 73 75 N 0.88888888888889 0.11111111111111 0.75000000000000 14.007 > 73 76 N 0.22222222222222 0.44444444444444 0.75000000000000 14.007 > 73 77 N 0.55555555555556 0.44444444444444 0.75000000000000 14.007 > 73 78 N 0.88888888888889 0.44444444444444 0.75000000000000 14.007 > 73 79 N 0.22222222222222 0.77777777777778 0.75000000000000 14.007 > 73 80 N 0.55555555555556 0.77777777777778 0.75000000000000 14.007 > 73 81 N 0.88888888888889 0.77777777777778 0.75000000000000 14.007 > 73 82 N 0.11111111111111 0.22222222222222 0.25000000000000 14.007 > 82 83 N 0.44444444444444 0.22222222222222 0.25000000000000 14.007 > 82 84 N 0.77777777777778 0.22222222222222 0.25000000000000 14.007 > 82 85 N 0.11111111111111 0.55555555555556 0.25000000000000 14.007 > 82 86 N 0.44444444444444 0.55555555555556 0.25000000000000 14.007 > 82 87 N 0.77777777777778 0.55555555555556 0.25000000000000 14.007 > 82 88 N 0.11111111111111 0.88888888888889 0.25000000000000 14.007 > 82 89 N 0.44444444444444 0.88888888888889 0.25000000000000 14.007 > 82 90 N 0.77777777777778 0.88888888888889 0.25000000000000 14.007 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.5394436 0.0000000 0.0000000 0.0000000 4.5394436 0.0000000 0.0000000 0.0000000 5.5722318-------------------------- Born effective charges -------------------------- 1 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 2 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 3 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 4 Be 1.6815309 -0.0000000 0.0000000 0.0000000 1.6815309 0.0000000 0.0000000 0.0000000 1.8366242 5 Be 1.6371293 -0.0000000 0.0000000 0.0000000 1.6371293 0.0000000 0.0000000 0.0000000 2.0657057 6 Be 1.6371293 -0.0000000 0.0000000 0.0000000 1.6371293 0.0000000 0.0000000 0.0000000 2.0657057 7 N -2.8599662 0.0000000 0.0000000 0.0000000 -2.8599662 0.0000000 0.0000000 0.0000000 -2.6124559 8 N -2.8599662 0.0000000 0.0000000 0.0000000 -2.8599662 0.0000000 0.0000000 0.0000000 -2.6124559 9 N -2.1402248 0.0000000 0.0000000 0.0000000 -2.1402248 0.0000000 0.0000000 0.0000000 -3.1264981 10 N -2.1402248 0.0000000 0.0000000 0.0000000 -2.1402248 0.0000000 0.0000000 0.0000000 -3.1264981----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 20 20 5 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.02, Number of G-points: 289, Lambda: 0.23Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/132) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 132Calculating 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 7.227 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 10.215 ( 0.000 0.000 0.000) 0.000 10.428 ( 0.000 0.000 0.000) 0.000 10.428 ( 0.000 0.000 0.000) 0.000 12.314 ( 0.000 0.000 0.000) 0.000 15.932 ( 0.000 0.000 0.000) 0.000 15.932 ( 0.000 0.000 0.000) 0.000 15.950 ( 0.000 0.000 0.000) 0.000 15.950 ( 0.000 0.000 0.000) 0.000 16.263 ( 0.000 0.000 0.000) 0.000 16.263 ( 0.000 0.000 0.000) 0.000 16.284 ( 0.000 0.000 0.000) 0.000 16.284 ( 0.000 0.000 0.000) 0.000 19.986 ( 0.000 0.000 0.000) 0.000 21.000 ( 0.000 0.000 0.000) 0.000 24.973 ( 0.000 0.000 0.000) 0.000 26.496 ( 0.000 0.000 0.000) 0.000 27.703 ( 0.000 0.000 0.000) 0.000 28.865 ( 0.000 0.000 0.000) 0.000 28.865 ( 0.000 0.000 0.000) 0.000 28.882 ( 0.000 0.000 0.000) 0.000 28.882 ( 0.000 0.000 0.000) 0.000 33.278 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/132) =======================q-point: ( 0.05 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 64.997 37.526 0.000) 75.052 1.623 ( 68.716 39.673 0.000) 79.346 2.648 ( 112.141 64.745 0.000) 129.489 7.165 ( -9.887 -5.708 0.000) 11.416 7.367 ( 11.659 6.731 0.000) 13.462 7.424 ( -9.845 -5.684 0.000) 11.368 7.628 ( 32.680 18.868 0.000) 37.735 7.679 ( 12.490 7.211 0.000) 14.422 10.385 ( 17.577 10.148 0.000) 20.296 10.524 ( 8.113 4.684 0.000) 9.368 10.746 ( 26.176 15.113 0.000) 30.225 12.391 ( 6.788 3.919 0.000) 7.838 15.735 ( -11.231 -6.484 0.000) 12.969 15.746 ( -11.466 -6.620 0.000) 13.240 15.808 ( -3.966 -2.290 0.000) 4.579 16.025 ( 6.306 3.641 0.000) 7.282 16.482 ( 13.076 7.549 0.000) 15.098 16.512 ( 13.377 7.723 0.000) 15.446 16.559 ( 17.231 9.948 0.000) 19.897 20.152 ( 13.787 7.960 0.000) 15.920 21.014 ( 1.218 0.703 0.000) 1.407 22.222 ( 1.615 0.933 0.000) 1.865 24.964 ( -0.680 -0.393 0.000) 0.785 25.782 ( -48.775 -28.160 0.000) 56.320 27.597 ( -8.910 -5.144 0.000) 10.288 28.833 ( -2.230 -1.287 0.000) 2.575 28.879 ( -0.713 -0.412 0.000) 0.824 29.484 ( 39.556 22.838 0.000) 45.675 33.120 ( -13.202 -7.622 0.000) 15.244 33.605 ( -3.855 -2.226 0.000) 4.452======================= Grid point 2 (3/132) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.040 ( 62.660 36.177 0.000) 72.353 3.213 ( 66.251 38.250 0.000) 76.500 5.248 ( 108.888 62.866 0.000) 125.733 6.691 ( -29.861 -17.240 0.000) 34.480 7.143 ( -12.350 -7.131 0.000) 14.261 7.753 ( 20.596 11.891 0.000) 23.782 8.103 ( 23.206 13.398 0.000) 26.796 8.641 ( 50.491 29.151 0.000) 58.302 10.808 ( 16.010 9.243 0.000) 18.487 11.138 ( 45.700 26.385 0.000) 52.770 11.614 ( 46.172 26.658 0.000) 53.315 12.659 ( 17.172 9.914 0.000) 19.828 15.495 ( -8.738 -5.045 0.000) 10.090 15.511 ( -7.830 -4.521 0.000) 9.042 15.819 ( 4.570 2.638 0.000) 5.277 16.245 ( 12.445 7.185 0.000) 14.371 16.782 ( 11.753 6.785 0.000) 13.571 16.814 ( 11.724 6.769 0.000) 13.538 16.917 ( 12.254 7.075 0.000) 14.150 20.567 ( 18.233 10.527 0.000) 21.054 21.081 ( 6.309 3.642 0.000) 7.285 22.255 ( 0.442 0.255 0.000) 0.510 24.569 ( -50.831 -29.347 0.000) 58.695 24.943 ( -1.008 -0.582 0.000) 1.164 27.301 ( -15.730 -9.082 0.000) 18.164 28.766 ( -3.486 -2.013 0.000) 4.026 28.841 ( -2.560 -1.478 0.000) 2.956 30.401 ( 35.630 20.571 0.000) 41.142 32.680 ( -23.592 -13.621 0.000) 27.241 33.467 ( -7.924 -4.575 0.000) 9.150======================= Grid point 3 (4/132) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.468 ( 58.807 33.952 0.000) 67.904 4.663 ( 51.728 29.865 0.000) 59.730 5.983 ( -22.018 -12.712 0.000) 25.424 6.845 ( -12.794 -7.387 0.000) 14.773 7.735 ( 102.281 59.052 0.000) 118.104 8.301 ( 25.396 14.662 0.000) 29.325 8.746 ( 31.037 17.919 0.000) 35.838 9.848 ( 49.338 28.485 0.000) 56.970 11.271 ( 23.270 13.435 0.000) 26.870 12.409 ( 59.478 34.340 0.000) 68.679 12.769 ( 46.668 26.944 0.000) 53.887 13.324 ( 44.514 25.700 0.000) 51.401 15.335 ( -4.819 -2.782 0.000) 5.564 15.395 ( -1.853 -1.070 0.000) 2.140 16.002 ( 10.744 6.203 0.000) 12.407 16.617 ( 19.638 11.338 0.000) 22.676 17.015 ( 7.804 4.505 0.000) 9.011 17.044 ( 7.660 4.423 0.000) 8.846 17.133 ( 6.696 3.866 0.000) 7.732 20.795 ( 1.148 0.663 0.000) 1.326 21.440 ( 22.551 13.020 0.000) 26.040 22.187 ( -8.023 -4.632 0.000) 9.264 23.511 ( -37.276 -21.521 0.000) 43.043 24.922 ( -0.648 -0.374 0.000) 0.748 26.888 ( -18.770 -10.837 0.000) 21.674 28.670 ( -4.667 -2.695 0.000) 5.390 28.757 ( -4.637 -2.677 0.000) 5.355 31.095 ( 22.956 13.254 0.000) 26.507 32.047 ( -29.575 -17.075 0.000) 34.150 33.230 ( -12.345 -7.128 0.000) 14.255======================= Grid point 4 (5/132) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.916 ( -18.418 -10.634 0.000) 21.268 5.788 ( 53.377 30.817 0.000) 61.635 6.314 ( 16.436 9.489 0.000) 18.979 6.726 ( 26.413 15.249 0.000) 30.499 8.913 ( 26.142 15.093 0.000) 30.186 9.535 ( 35.606 20.557 0.000) 41.115 9.977 ( 84.633 48.863 0.000) 97.726 10.894 ( 42.107 24.311 0.000) 48.621 11.890 ( 29.232 16.877 0.000) 33.755 13.770 ( 42.332 24.440 0.000) 48.881 13.779 ( 53.591 30.941 0.000) 61.881 14.730 ( 69.254 39.984 0.000) 79.968 15.266 ( -1.170 -0.675 0.000) 1.351 15.427 ( 4.424 2.554 0.000) 5.108 16.339 ( 19.281 11.132 0.000) 22.263 17.139 ( 2.715 1.568 0.000) 3.135 17.168 ( 2.835 1.637 0.000) 3.273 17.199 ( 30.931 17.858 0.000) 35.716 17.259 ( 4.457 2.574 0.000) 5.147 20.732 ( -5.290 -3.054 0.000) 6.109 21.818 ( -22.365 -12.912 0.000) 25.825 21.967 ( 20.393 11.774 0.000) 23.548 22.877 ( -17.930 -10.352 0.000) 20.703 24.920 ( 0.595 0.343 0.000) 0.687 26.455 ( -17.457 -10.079 0.000) 20.157 28.547 ( -5.799 -3.348 0.000) 6.697 28.624 ( -6.655 -3.842 0.000) 7.685 31.326 ( -31.175 -17.999 0.000) 35.998 31.471 ( 9.207 5.315 0.000) 10.631 32.884 ( -17.187 -9.923 0.000) 19.846======================= Grid point 5 (6/132) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.501 ( -15.047 -8.687 0.000) 17.375 6.219 ( -5.947 -3.433 0.000) 6.867 6.961 ( 46.229 26.690 0.000) 53.381 7.965 ( 58.918 34.016 0.000) 68.033 9.505 ( 23.883 13.789 0.000) 27.577 10.393 ( 36.974 21.347 0.000) 42.694 11.256 ( 27.667 15.973 0.000) 31.947 12.234 ( 67.757 39.120 0.000) 78.239 12.627 ( 33.148 19.138 0.000) 38.276 14.734 ( 25.000 14.434 0.000) 28.867 14.787 ( 44.238 25.541 0.000) 51.081 15.271 ( 1.328 0.766 0.000) 1.533 15.592 ( 9.346 5.396 0.000) 10.792 16.413 ( 72.135 41.647 0.000) 83.294 17.005 ( 37.710 21.772 0.000) 43.544 17.142 ( -2.386 -1.378 0.000) 2.755 17.180 ( -1.597 -0.922 0.000) 1.844 17.355 ( 4.672 2.697 0.000) 5.394 18.104 ( 46.203 26.675 0.000) 53.351 20.574 ( -7.722 -4.458 0.000) 8.917 21.275 ( -21.135 -12.202 0.000) 24.405 22.359 ( 12.861 7.425 0.000) 14.850 22.536 ( -13.175 -7.607 0.000) 15.214 24.955 ( 2.477 1.430 0.000) 2.860 26.091 ( -13.310 -7.684 0.000) 15.369 28.399 ( -6.742 -3.892 0.000) 7.785 28.448 ( -8.233 -4.753 0.000) 9.507 30.607 ( -29.730 -17.165 0.000) 34.329 31.535 ( -3.569 -2.061 0.000) 4.122 32.420 ( -22.445 -12.958 0.000) 25.917======================= Grid point 6 (7/132) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.181 ( -13.443 -7.761 0.000) 15.522 6.212 ( 6.420 3.707 0.000) 7.413 7.946 ( 37.384 21.584 0.000) 43.168 9.330 ( 56.685 32.727 0.000) 65.454 10.021 ( 19.945 11.515 0.000) 23.030 11.247 ( 35.347 20.408 0.000) 40.815 11.726 ( 15.304 8.836 0.000) 17.671 13.426 ( 34.401 19.861 0.000) 39.722 13.559 ( 41.470 23.942 0.000) 47.885 14.999 ( 0.639 0.369 0.000) 0.738 15.316 ( 2.308 1.332 0.000) 2.665 15.844 ( 11.541 6.663 0.000) 13.327 15.893 ( 50.788 29.323 0.000) 58.645 17.036 ( -6.422 -3.708 0.000) 7.416 17.103 ( -4.656 -2.688 0.000) 5.376 17.331 ( -1.956 -1.129 0.000) 2.258 18.014 ( 61.195 35.331 0.000) 70.662 18.138 ( 49.360 28.498 0.000) 56.996 19.314 ( 54.684 31.572 0.000) 63.144 20.398 ( -6.388 -3.688 0.000) 7.377 20.932 ( -5.503 -3.177 0.000) 6.354 22.239 ( -11.164 -6.445 0.000) 12.891 22.581 ( 6.517 3.762 0.000) 7.525 25.037 ( 4.454 2.572 0.000) 5.143 25.831 ( -8.911 -5.145 0.000) 10.289 28.234 ( -7.264 -4.194 0.000) 8.387 28.244 ( -8.920 -5.150 0.000) 10.300 29.939 ( -27.126 -15.661 0.000) 31.322 31.317 ( -14.627 -8.445 0.000) 16.890 31.829 ( -27.869 -16.090 0.000) 32.180======================= Grid point 7 (8/132) =======================q-point: ( 0.35 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.839 ( -15.601 -9.007 0.000) 18.015 6.519 ( 18.740 10.820 0.000) 21.640 8.707 ( 27.409 15.825 0.000) 31.650 10.436 ( 15.287 8.826 0.000) 17.652 10.603 ( 51.225 29.575 0.000) 59.149 12.023 ( 10.368 5.986 0.000) 11.972 12.030 ( 30.894 17.837 0.000) 35.674 14.213 ( 17.090 9.867 0.000) 19.734 14.219 ( 32.662 18.857 0.000) 37.715 14.881 ( -8.874 -5.123 0.000) 10.246 15.368 ( 1.932 1.115 0.000) 2.230 16.106 ( 10.078 5.818 0.000) 11.637 16.856 ( -8.501 -4.908 0.000) 9.816 16.978 ( -5.620 -3.245 0.000) 6.489 17.076 ( 45.390 26.206 0.000) 52.411 17.191 ( -10.012 -5.781 0.000) 11.561 19.126 ( 33.210 19.174 0.000) 38.347 19.184 ( 34.944 20.175 0.000) 40.349 20.346 ( 4.724 2.728 0.000) 5.455 20.550 ( 46.962 27.114 0.000) 54.227 21.102 ( 17.476 10.090 0.000) 20.180 22.148 ( 9.262 5.347 0.000) 10.695 22.693 ( 3.644 2.104 0.000) 4.208 25.166 ( 6.583 3.800 0.000) 7.601 25.676 ( -3.855 -2.226 0.000) 4.451 28.036 ( -8.506 -4.911 0.000) 9.822 28.067 ( -6.907 -3.987 0.000) 7.975 29.333 ( -24.615 -14.212 0.000) 28.423 30.865 ( -23.553 -13.598 0.000) 27.197 31.118 ( -32.287 -18.641 0.000) 37.282======================= Grid point 8 (9/132) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.474 ( -14.717 -8.497 0.000) 16.994 7.020 ( 22.212 12.824 0.000) 25.649 9.232 ( 17.414 10.054 0.000) 20.108 10.736 ( 10.293 5.943 0.000) 11.885 11.698 ( 40.975 23.657 0.000) 47.314 12.220 ( 6.464 3.732 0.000) 7.464 12.676 ( 23.582 13.615 0.000) 27.230 14.477 ( 7.057 4.074 0.000) 8.148 14.652 ( -9.147 -5.281 0.000) 10.562 14.936 ( 27.956 16.140 0.000) 32.280 15.401 ( 0.834 0.481 0.000) 0.963 16.281 ( 4.038 2.331 0.000) 4.663 16.656 ( -8.053 -4.650 0.000) 9.299 16.862 ( -3.668 -2.118 0.000) 4.235 16.871 ( -16.583 -9.574 0.000) 19.148 17.817 ( 16.411 9.475 0.000) 18.950 19.622 ( 5.291 3.055 0.000) 6.109 19.839 ( 32.085 18.524 0.000) 37.049 20.713 ( 22.660 13.083 0.000) 26.166 21.079 ( 2.619 1.512 0.000) 3.025 21.752 ( 31.395 18.126 0.000) 36.252 22.775 ( 3.624 2.092 0.000) 4.184 22.807 ( 40.396 23.323 0.000) 46.645 25.348 ( 8.893 5.134 0.000) 10.269 25.695 ( 6.751 3.898 0.000) 7.796 27.855 ( -6.713 -3.876 0.000) 7.752 27.919 ( -5.535 -3.196 0.000) 6.391 28.787 ( -21.575 -12.456 0.000) 24.912 30.214 ( -32.058 -18.509 0.000) 37.018 30.366 ( -29.846 -17.231 0.000) 34.463======================= Grid point 9 (10/132) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.186 ( -9.086 -5.246 0.000) 10.492 7.478 ( 15.084 8.709 0.000) 17.417 9.532 ( 8.297 4.790 0.000) 9.581 10.918 ( 5.140 2.967 0.000) 5.935 12.330 ( 2.977 1.719 0.000) 3.437 12.458 ( 22.223 12.831 0.000) 25.661 13.113 ( 13.137 7.585 0.000) 15.170 14.518 ( -1.554 -0.897 0.000) 1.794 14.589 ( 2.962 1.710 0.000) 3.420 15.410 ( -0.020 -0.011 0.000) 0.023 15.509 ( 20.254 11.694 0.000) 23.387 16.271 ( -4.645 -2.682 0.000) 5.364 16.467 ( -15.985 -9.229 0.000) 18.458 16.499 ( -4.965 -2.867 0.000) 5.734 16.821 ( -0.175 -0.101 0.000) 0.202 17.977 ( 1.010 0.583 0.000) 1.167 19.650 ( -0.541 -0.313 0.000) 0.625 20.475 ( 14.885 8.594 0.000) 17.187 21.167 ( 13.657 7.885 0.000) 15.770 21.250 ( 18.896 10.909 0.000) 21.819 22.145 ( 0.514 0.297 0.000) 0.593 22.860 ( 3.256 1.880 0.000) 3.760 23.714 ( 31.847 18.387 0.000) 36.774 25.561 ( 8.268 4.774 0.000) 9.547 26.002 ( 17.163 9.909 0.000) 19.818 27.731 ( -3.717 -2.146 0.000) 4.292 27.815 ( -3.109 -1.795 0.000) 3.590 28.350 ( -14.581 -8.418 0.000) 16.836 29.456 ( -28.879 -16.674 0.000) 33.347 29.762 ( -20.468 -11.817 0.000) 23.634======================= Grid point 10 (11/132) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.075 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 9.629 ( 0.000 0.000 0.000) 0.000 10.978 ( 0.000 0.000 0.000) 0.000 12.364 ( 0.000 0.000 0.000) 0.000 12.714 ( 0.000 0.000 0.000) 0.000 13.271 ( 0.000 0.000 0.000) 0.000 14.527 ( 0.000 0.000 0.000) 0.000 14.624 ( 0.000 0.000 0.000) 0.000 15.408 ( 0.000 0.000 0.000) 0.000 15.803 ( -0.000 -0.000 0.000) 0.000 16.157 ( 0.000 0.000 0.000) 0.000 16.248 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 0.000 0.000) 0.000 16.824 ( 0.000 0.000 0.000) 0.000 17.977 ( 0.000 0.000 0.000) 0.000 19.640 ( 0.000 0.000 0.000) 0.000 20.593 ( 0.000 0.000 0.000) 0.000 21.326 ( 0.000 0.000 0.000) 0.000 21.770 ( -0.000 -0.000 0.000) 0.000 21.904 ( 0.000 0.000 0.000) 0.000 22.903 ( 0.000 0.000 0.000) 0.000 24.117 ( 0.000 0.000 0.000) 0.000 25.672 ( 0.000 0.000 0.000) 0.000 26.267 ( 0.000 0.000 0.000) 0.000 27.686 ( 0.000 0.000 0.000) 0.000 27.778 ( 0.000 0.000 0.000) 0.000 28.166 ( 0.000 0.000 0.000) 0.000 29.066 ( 0.000 0.000 0.000) 0.000 29.501 ( 0.000 0.000 0.000) 0.000======================= Grid point 22 (12/132) =======================q-point: ( 0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.681 ( 38.187 66.142 0.000) 76.374 2.795 ( 38.947 67.458 0.000) 77.893 4.536 ( 62.536 108.315 0.000) 125.071 6.986 ( -7.875 -13.639 0.000) 15.749 7.058 ( -15.514 -26.870 0.000) 31.027 7.646 ( 11.650 20.179 0.000) 23.301 8.010 ( 13.565 23.495 0.000) 27.130 8.318 ( 26.746 46.326 0.000) 53.492 10.718 ( 8.265 14.315 0.000) 16.530 10.866 ( 22.162 38.386 0.000) 44.324 11.333 ( 24.024 41.610 0.000) 48.047 12.560 ( 7.646 13.243 0.000) 15.291 15.619 ( -3.782 -6.550 0.000) 7.563 15.680 ( -2.561 -4.436 0.000) 5.123 15.722 ( -0.553 -0.957 0.000) 1.105 15.983 ( 1.200 2.078 0.000) 2.400 16.720 ( 7.445 12.895 0.000) 14.890 16.811 ( 9.559 16.557 0.000) 19.118 16.827 ( 8.032 13.911 0.000) 16.063 20.460 ( 12.240 21.200 0.000) 24.480 21.040 ( 1.140 1.974 0.000) 2.280 22.252 ( 0.888 1.538 0.000) 1.776 24.893 ( -30.287 -52.459 0.000) 60.574 24.950 ( -0.566 -0.980 0.000) 1.132 27.395 ( -8.230 -14.254 0.000) 16.459 28.815 ( -1.341 -2.323 0.000) 2.682 28.833 ( -1.343 -2.326 0.000) 2.686 30.167 ( 21.929 37.982 0.000) 43.858 32.821 ( -12.251 -21.219 0.000) 24.502 33.511 ( -4.074 -7.057 0.000) 8.148======================= Grid point 23 (13/132) =======================q-point: ( 0.10 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.063 ( 43.778 60.531 0.000) 74.703 4.206 ( 46.993 56.415 0.000) 73.423 6.315 ( -31.526 -20.320 0.000) 37.507 6.752 ( -0.526 -26.648 0.000) 26.653 6.809 ( 80.036 85.405 0.000) 117.046 8.160 ( 18.253 28.384 0.000) 33.746 8.593 ( 19.637 32.511 0.000) 37.981 9.384 ( 39.940 41.316 0.000) 57.465 11.099 ( 15.457 19.111 0.000) 24.580 11.900 ( 42.867 46.822 0.000) 63.481 12.371 ( 39.463 46.725 0.000) 61.160 12.975 ( 22.160 21.448 0.000) 30.840 15.472 ( -8.848 2.419 0.000) 9.173 15.562 ( -10.223 8.381 0.000) 13.219 15.824 ( 11.372 -0.024 0.000) 11.372 16.191 ( 22.225 -5.505 0.000) 22.897 16.954 ( 6.281 8.559 0.000) 10.617 17.064 ( 6.558 6.677 0.000) 9.359 17.112 ( 4.789 17.055 0.000) 17.714 20.874 ( 2.300 18.635 0.000) 18.776 21.168 ( 16.762 4.659 0.000) 17.398 22.254 ( -2.466 -0.706 0.000) 2.565 23.834 ( -33.215 -39.859 0.000) 51.885 24.928 ( -0.666 -0.806 0.000) 1.045 27.040 ( -13.763 -16.075 0.000) 21.162 28.736 ( -4.622 -1.449 0.000) 4.844 28.784 ( -1.727 -3.729 0.000) 4.110 30.877 ( 21.060 23.595 0.000) 31.627 32.286 ( -21.178 -24.562 0.000) 32.431 33.316 ( -8.035 -10.322 0.000) 13.081======================= Grid point 24 (14/132) =======================q-point: ( 0.15 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.190 ( -9.980 12.911 0.000) 16.318 5.415 ( 41.327 56.799 0.000) 70.243 5.998 ( 29.509 22.341 0.000) 37.012 6.465 ( 1.004 -27.226 0.000) 27.244 8.658 ( 33.582 28.826 0.000) 44.257 9.182 ( 66.940 71.969 0.000) 98.288 9.341 ( 23.581 38.591 0.000) 45.226 10.448 ( 38.433 29.108 0.000) 48.212 11.643 ( 22.041 22.830 0.000) 31.733 13.197 ( 49.953 40.403 0.000) 64.247 13.430 ( 30.296 37.446 0.000) 48.167 13.976 ( 57.509 36.369 0.000) 68.044 15.381 ( -6.809 7.062 0.000) 9.810 15.545 ( -4.899 16.167 0.000) 16.893 16.108 ( 17.686 6.283 0.000) 18.769 16.624 ( 31.038 -2.196 0.000) 31.116 17.102 ( 3.476 3.245 0.000) 4.755 17.205 ( 4.581 3.022 0.000) 5.488 17.331 ( 1.662 16.646 0.000) 16.729 20.901 ( -9.715 8.895 0.000) 13.172 21.668 ( 24.831 9.156 0.000) 26.465 22.077 ( -16.136 -5.823 0.000) 17.154 23.018 ( -19.182 -25.816 0.000) 32.162 24.916 ( 0.012 -0.153 0.000) 0.154 26.616 ( -15.316 -15.438 0.000) 21.747 28.628 ( -5.822 -1.688 0.000) 6.062 28.690 ( -4.639 -3.643 0.000) 5.899 31.349 ( 12.493 10.472 0.000) 16.301 31.611 ( -25.774 -25.294 0.000) 36.112 33.016 ( -12.132 -14.060 0.000) 18.571======================= Grid point 25 (15/132) =======================q-point: ( 0.20 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.774 ( -23.499 -3.489 0.000) 23.757 6.174 ( -0.919 -18.556 0.000) 18.579 6.653 ( 35.684 52.644 0.000) 63.598 7.273 ( 57.275 35.462 0.000) 67.364 9.349 ( 19.434 27.532 0.000) 33.699 10.185 ( 25.268 41.710 0.000) 48.767 10.904 ( 40.396 35.824 0.000) 53.993 11.504 ( 58.120 39.879 0.000) 70.486 12.337 ( 27.921 27.127 0.000) 38.928 14.306 ( 37.279 17.662 0.000) 41.251 14.346 ( 35.057 30.294 0.000) 46.333 15.328 ( 43.092 16.435 0.000) 46.120 15.378 ( -4.283 11.306 0.000) 12.090 15.874 ( 26.665 42.304 0.000) 50.007 16.638 ( 29.289 20.668 0.000) 35.847 17.111 ( 15.566 1.863 0.000) 15.677 17.140 ( 0.181 -1.559 0.000) 1.569 17.306 ( 4.247 1.982 0.000) 4.686 17.676 ( 25.471 21.524 0.000) 33.348 20.769 ( -13.217 5.780 0.000) 14.425 21.599 ( -26.012 -7.910 0.000) 27.188 22.135 ( 19.323 4.850 0.000) 19.922 22.602 ( -7.779 -16.319 0.000) 18.078 24.932 ( 1.521 0.910 0.000) 1.772 26.216 ( -12.979 -13.197 0.000) 18.510 28.496 ( -7.093 -1.721 0.000) 7.299 28.548 ( -7.322 -3.411 0.000) 8.077 30.893 ( -26.491 -24.292 0.000) 35.943 31.527 ( 2.083 -0.619 0.000) 2.173 32.600 ( -16.534 -18.078 0.000) 24.498======================= Grid point 26 (16/132) =======================q-point: ( 0.25 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.382 ( -17.667 -4.583 0.000) 18.251 6.075 ( 7.266 -8.827 0.000) 11.433 7.725 ( 28.012 47.194 0.000) 54.881 8.634 ( 57.172 32.323 0.000) 65.676 9.928 ( 14.473 27.243 0.000) 30.849 11.056 ( 24.545 42.357 0.000) 48.955 11.544 ( 17.176 12.641 0.000) 21.326 12.923 ( 45.933 26.847 0.000) 53.203 13.221 ( 36.472 39.404 0.000) 53.693 14.803 ( 14.859 -5.432 0.000) 15.821 15.286 ( 42.076 22.041 0.000) 47.499 15.436 ( -4.151 12.916 0.000) 13.567 15.809 ( 11.917 17.884 0.000) 21.491 17.029 ( -2.855 -7.837 0.000) 8.341 17.078 ( 18.473 5.772 0.000) 19.354 17.375 ( 2.107 4.498 0.000) 4.967 17.394 ( 40.305 38.405 0.000) 55.673 17.640 ( 42.844 33.354 0.000) 54.296 18.671 ( 52.199 28.520 0.000) 59.482 20.571 ( -13.792 3.081 0.000) 14.132 21.127 ( -18.951 -2.310 0.000) 19.092 22.319 ( -8.075 -12.853 0.000) 15.179 22.440 ( 12.310 0.970 0.000) 12.348 24.991 ( 3.433 2.078 0.000) 4.013 25.902 ( -8.706 -10.952 0.000) 13.991 28.345 ( -8.169 -1.570 0.000) 8.319 28.368 ( -9.315 -2.836 0.000) 9.738 30.200 ( -24.786 -22.811 0.000) 33.685 31.419 ( -8.000 -9.757 0.000) 12.617 32.064 ( -21.264 -22.112 0.000) 30.677======================= Grid point 27 (17/132) =======================q-point: ( 0.30 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.015 ( -16.220 -9.899 0.000) 19.002 6.279 ( 17.989 4.343 0.000) 18.505 8.586 ( 19.027 40.276 0.000) 44.544 9.921 ( 54.740 25.824 0.000) 60.525 10.408 ( 9.258 26.071 0.000) 27.666 11.891 ( 21.496 41.261 0.000) 46.524 11.896 ( 11.861 7.875 0.000) 14.238 13.760 ( 30.872 13.295 0.000) 33.613 14.145 ( 22.414 33.316 0.000) 40.154 14.838 ( 2.159 -13.259 0.000) 13.434 15.478 ( -5.149 11.771 0.000) 12.848 16.003 ( 15.233 11.597 0.000) 19.145 16.538 ( 42.868 30.130 0.000) 52.397 16.829 ( -6.422 -14.162 0.000) 15.550 17.061 ( -3.843 -0.073 0.000) 3.843 17.396 ( -5.253 6.197 0.000) 8.124 18.686 ( 44.614 29.710 0.000) 53.601 18.776 ( 41.544 33.256 0.000) 53.216 19.930 ( 54.184 28.436 0.000) 61.193 20.383 ( -7.984 1.002 0.000) 8.047 20.996 ( 3.520 8.606 0.000) 9.298 22.097 ( -2.599 -6.384 0.000) 6.893 22.609 ( 7.295 -0.364 0.000) 7.304 25.095 ( 5.414 3.161 0.000) 6.270 25.686 ( -4.065 -9.155 0.000) 10.017 28.168 ( -9.934 -2.232 0.000) 10.181 28.184 ( -8.935 -0.686 0.000) 8.961 29.559 ( -22.238 -21.795 0.000) 31.138 31.061 ( -16.755 -16.988 0.000) 23.860 31.404 ( -25.888 -25.606 0.000) 36.412======================= Grid point 28 (18/132) =======================q-point: ( 0.35 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.618 ( -14.706 -13.292 0.000) 19.822 6.747 ( 23.563 12.231 0.000) 26.548 9.210 ( 9.822 32.499 0.000) 33.951 10.781 ( 3.637 24.898 0.000) 25.163 11.056 ( 48.928 15.955 0.000) 51.464 12.137 ( 8.074 5.234 0.000) 9.622 12.638 ( 16.251 39.750 0.000) 42.943 14.263 ( 17.882 1.318 0.000) 17.930 14.671 ( -3.622 -13.990 0.000) 14.451 14.806 ( 17.154 32.647 0.000) 36.880 15.500 ( -4.987 10.078 0.000) 11.244 16.295 ( 4.455 13.478 0.000) 14.195 16.522 ( -7.929 -21.213 0.000) 22.647 16.872 ( -2.855 -6.351 0.000) 6.963 17.319 ( -14.452 13.402 0.000) 19.710 17.623 ( 28.846 27.005 0.000) 39.514 19.482 ( 27.067 16.014 0.000) 31.449 19.558 ( 12.568 15.497 0.000) 19.953 20.452 ( 16.276 6.934 0.000) 17.692 20.949 ( 24.441 10.757 0.000) 26.704 21.373 ( 25.652 16.052 0.000) 30.260 22.336 ( 31.368 12.419 0.000) 33.737 22.717 ( 5.231 0.939 0.000) 5.314 25.248 ( 7.780 4.303 0.000) 8.891 25.594 ( 3.489 -5.738 0.000) 6.716 27.979 ( -9.538 -0.680 0.000) 9.562 28.028 ( -8.346 0.193 0.000) 8.349 28.974 ( -19.366 -21.225 0.000) 28.732 30.497 ( -24.295 -22.837 0.000) 33.344 30.654 ( -27.709 -26.465 0.000) 38.317======================= Grid point 29 (19/132) =======================q-point: ( 0.40 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.260 ( -9.934 -12.737 0.000) 16.153 7.278 ( 20.045 12.755 0.000) 23.759 9.599 ( 1.451 25.140 0.000) 25.182 11.039 ( -2.476 23.624 0.000) 23.753 11.912 ( 36.800 0.848 0.000) 36.810 12.289 ( 4.445 3.083 0.000) 5.410 13.259 ( 7.860 39.367 0.000) 40.144 14.481 ( 8.875 -1.930 0.000) 9.082 14.495 ( -0.818 -9.339 0.000) 9.375 15.400 ( 14.596 27.342 0.000) 30.994 15.502 ( -4.689 6.794 0.000) 8.255 16.131 ( -7.604 -27.417 0.000) 28.452 16.404 ( -6.047 9.030 0.000) 10.868 16.788 ( 0.319 -3.286 0.000) 3.302 17.185 ( -21.245 23.699 0.000) 31.828 18.079 ( 0.453 16.886 0.000) 16.892 19.656 ( -1.963 -0.352 0.000) 1.994 20.172 ( 30.908 13.107 0.000) 33.572 20.937 ( 21.396 8.346 0.000) 22.967 21.117 ( 4.663 3.229 0.000) 5.672 21.991 ( 18.664 4.160 0.000) 19.121 22.823 ( 4.275 3.208 0.000) 5.345 23.222 ( 42.948 16.505 0.000) 46.010 25.452 ( 9.468 4.958 0.000) 10.688 25.743 ( 16.868 0.331 0.000) 16.871 27.829 ( -7.610 1.311 0.000) 7.722 27.903 ( -6.617 1.623 0.000) 6.813 28.461 ( -14.397 -19.676 0.000) 24.381 29.754 ( -28.836 -25.960 0.000) 38.800 29.965 ( -21.736 -21.905 0.000) 30.859======================= Grid point 30 (20/132) =======================q-point: ( 0.45 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.043 ( -1.505 -8.827 0.000) 8.955 7.634 ( 7.309 6.694 0.000) 9.912 9.782 ( -6.041 19.231 0.000) 20.157 11.171 ( -8.685 21.599 0.000) 23.280 12.336 ( 19.968 -15.075 0.000) 25.019 12.359 ( 1.222 1.228 0.000) 1.733 13.651 ( -8.426 34.976 0.000) 35.976 14.498 ( 4.721 0.135 0.000) 4.723 14.567 ( 4.261 -3.260 0.000) 5.365 15.462 ( -0.257 -6.089 0.000) 6.094 15.779 ( -0.998 -19.720 0.000) 19.745 15.835 ( 6.090 18.853 0.000) 19.812 16.300 ( -10.571 4.396 0.000) 11.449 16.795 ( 0.512 0.646 0.000) 0.824 17.084 ( -21.902 32.321 0.000) 39.043 18.144 ( -8.320 15.163 0.000) 17.296 19.612 ( 0.494 -3.755 0.000) 3.788 20.567 ( 5.405 1.959 0.000) 5.749 21.251 ( 8.667 0.308 0.000) 8.672 21.490 ( 26.738 10.546 0.000) 28.743 22.000 ( -9.569 -14.031 0.000) 16.984 22.911 ( 1.111 3.310 0.000) 3.491 23.939 ( 21.720 3.313 0.000) 21.971 25.637 ( 5.298 2.464 0.000) 5.843 26.088 ( 17.145 -2.774 0.000) 17.367 27.745 ( -4.506 3.385 0.000) 5.635 27.837 ( -3.904 3.920 0.000) 5.532 28.119 ( -2.967 -14.177 0.000) 14.484 29.113 ( -13.996 -15.998 0.000) 21.256 29.502 ( -7.658 -13.244 0.000) 15.298======================= Grid point 43 (21/132) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.369 ( 37.946 65.724 0.000) 75.891 5.399 ( 32.247 55.854 0.000) 64.495 5.837 ( -14.413 -24.964 0.000) 28.826 6.259 ( -9.770 -16.922 0.000) 19.540 8.422 ( 34.281 59.377 0.000) 68.562 9.040 ( 39.693 68.751 0.000) 79.387 9.354 ( 23.782 41.191 0.000) 47.564 10.229 ( 23.126 40.056 0.000) 46.252 11.567 ( 15.376 26.632 0.000) 30.751 12.947 ( 30.754 53.268 0.000) 61.508 13.462 ( 33.172 57.456 0.000) 66.344 13.536 ( 20.116 34.842 0.000) 40.232 15.536 ( 1.377 2.384 0.000) 2.753 15.785 ( 6.618 11.463 0.000) 13.237 15.926 ( 7.245 12.548 0.000) 14.489 16.219 ( 6.999 12.123 0.000) 13.999 17.090 ( 2.569 4.449 0.000) 5.137 17.176 ( 2.533 4.387 0.000) 5.066 17.408 ( 6.752 11.694 0.000) 13.503 21.142 ( 1.393 2.413 0.000) 2.786 21.386 ( 11.811 20.458 0.000) 23.623 22.202 ( -3.169 -5.488 0.000) 6.337 23.050 ( -20.325 -35.204 0.000) 40.650 24.915 ( -0.198 -0.343 0.000) 0.397 26.673 ( -11.178 -19.361 0.000) 22.356 28.690 ( -2.073 -3.591 0.000) 4.146 28.701 ( -2.340 -4.053 0.000) 4.680 31.286 ( 8.952 15.505 0.000) 17.904 31.711 ( -18.074 -31.306 0.000) 36.149 33.047 ( -9.339 -16.175 0.000) 18.678======================= Grid point 44 (22/132) =======================q-point: ( 0.15 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.246 ( -30.718 -0.370 0.000) 30.721 5.838 ( 8.891 -32.473 0.000) 33.669 6.675 ( 33.811 64.871 0.000) 73.154 6.806 ( 41.901 49.370 0.000) 64.754 9.301 ( 22.222 33.962 0.000) 40.586 10.235 ( 24.138 47.819 0.000) 53.566 10.699 ( 41.845 70.943 0.000) 82.365 11.019 ( 37.319 30.968 0.000) 48.494 12.181 ( 22.113 29.594 0.000) 36.943 13.926 ( 29.146 28.432 0.000) 40.717 14.239 ( 18.229 39.806 0.000) 43.782 14.718 ( 48.046 35.864 0.000) 59.955 15.579 ( -2.955 10.625 0.000) 11.028 16.059 ( 3.777 32.906 0.000) 33.123 16.381 ( 23.988 23.956 0.000) 33.902 16.716 ( 30.574 14.258 0.000) 33.735 17.130 ( -0.305 -0.461 0.000) 0.553 17.253 ( 3.159 1.711 0.000) 3.593 17.614 ( 5.899 11.350 0.000) 12.791 21.094 ( -11.604 8.058 0.000) 14.127 21.823 ( 19.514 6.869 0.000) 20.688 21.958 ( -19.293 -6.061 0.000) 20.222 22.497 ( -6.247 -24.553 0.000) 25.336 24.920 ( 0.735 0.696 0.000) 1.012 26.279 ( -11.774 -17.242 0.000) 20.878 28.591 ( -5.159 -2.216 0.000) 5.615 28.614 ( -3.685 -3.782 0.000) 5.281 31.041 ( -21.711 -30.197 0.000) 37.192 31.482 ( 2.913 1.968 0.000) 3.516 32.658 ( -13.331 -20.999 0.000) 24.874======================= Grid point 45 (23/132) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 606Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.728 ( -26.172 -3.722 0.000) 26.435 5.757 ( 13.192 -17.836 0.000) 22.184 7.848 ( 25.001 62.803 0.000) 67.596 8.072 ( 47.352 42.049 0.000) 63.327 9.983 ( 16.613 33.091 0.000) 37.027 11.151 ( 21.890 51.570 0.000) 56.023 11.413 ( 14.563 18.274 0.000) 23.367 12.476 ( 47.077 50.567 0.000) 69.089 12.984 ( 34.671 36.250 0.000) 50.161 14.470 ( 16.965 -0.148 0.000) 16.966 14.950 ( 23.749 28.878 0.000) 37.389 15.653 ( -3.421 13.756 0.000) 14.175 15.688 ( 27.063 21.707 0.000) 34.693 16.729 ( 28.697 31.518 0.000) 42.625 17.029 ( -1.934 0.067 0.000) 1.935 17.291 ( 32.254 31.297 0.000) 44.943 17.338 ( 7.636 3.970 0.000) 8.606 17.338 ( 14.619 26.066 0.000) 29.885 18.110 ( 38.636 22.804 0.000) 44.864 20.914 ( -17.094 6.872 0.000) 18.424 21.498 ( -23.972 -2.605 0.000) 24.113 22.180 ( 16.697 0.368 0.000) 16.701 22.244 ( -1.231 -17.766 0.000) 17.809 24.960 ( 2.323 1.878 0.000) 2.987 25.925 ( -9.372 -15.221 0.000) 17.875 28.466 ( -6.751 -1.758 0.000) 6.976 28.493 ( -6.726 -1.749 0.000) 6.949 30.352 ( -22.242 -28.677 0.000) 36.291 31.426 ( -4.758 -9.553 0.000) 10.672 32.150 ( -17.201 -26.089 0.000) 31.249======================= Grid point 46 (24/132) =======================q-point: ( 0.25 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.232 ( -21.234 -12.185 0.000) 24.482 5.965 ( 20.071 0.533 0.000) 20.078 8.811 ( 14.374 57.791 0.000) 59.551 9.300 ( 47.982 33.453 0.000) 58.493 10.560 ( 10.752 33.134 0.000) 34.834 11.782 ( 11.341 11.105 0.000) 15.872 12.033 ( 18.141 51.830 0.000) 54.913 13.430 ( 25.853 23.978 0.000) 35.261 14.077 ( 32.184 43.295 0.000) 53.947 14.596 ( 7.718 -14.055 0.000) 16.035 15.707 ( 31.617 21.498 0.000) 38.234 15.714 ( -5.552 13.258 0.000) 14.373 16.316 ( 20.781 30.043 0.000) 36.530 16.862 ( -9.428 -6.818 0.000) 11.636 17.088 ( 1.478 -0.879 0.000) 1.719 17.434 ( 4.823 2.181 0.000) 5.293 18.250 ( 41.163 41.276 0.000) 58.293 18.411 ( 41.679 39.962 0.000) 57.742 19.254 ( 54.410 28.425 0.000) 61.388 20.649 ( -18.173 3.391 0.000) 18.486 21.160 ( -12.831 4.562 0.000) 13.618 22.058 ( -2.313 -11.529 0.000) 11.758 22.424 ( 12.213 -1.756 0.000) 12.338 25.041 ( 4.147 2.873 0.000) 5.044 25.646 ( -5.308 -14.107 0.000) 15.073 28.317 ( -8.456 -1.122 0.000) 8.530 28.349 ( -8.770 0.768 0.000) 8.803 29.684 ( -20.866 -27.885 0.000) 34.828 31.129 ( -12.289 -18.854 0.000) 22.506 31.524 ( -20.971 -30.757 0.000) 37.226======================= Grid point 47 (25/132) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 606Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.738 ( -17.151 -17.817 0.000) 24.731 6.440 ( 25.062 12.293 0.000) 27.915 9.519 ( 3.972 49.712 0.000) 49.870 10.417 ( 44.920 23.823 0.000) 50.846 11.038 ( 4.607 34.334 0.000) 34.641 12.052 ( 8.560 7.766 0.000) 11.558 12.829 ( 14.026 48.448 0.000) 50.438 13.984 ( 17.842 9.930 0.000) 20.419 14.509 ( 2.377 -18.441 0.000) 18.593 14.902 ( 16.042 40.055 0.000) 43.148 15.721 ( -7.026 9.545 0.000) 11.852 16.338 ( 13.910 21.830 0.000) 25.885 16.579 ( -14.410 -6.740 0.000) 15.908 16.837 ( 1.932 -1.312 0.000) 2.335 17.367 ( 30.643 30.733 0.000) 43.399 17.541 ( 1.453 7.687 0.000) 7.823 19.205 ( 26.718 21.347 0.000) 34.198 19.442 ( 29.235 31.019 0.000) 42.625 20.395 ( -8.466 -0.703 0.000) 8.495 20.436 ( 47.096 20.365 0.000) 51.311 21.226 ( 9.569 12.550 0.000) 15.782 22.022 ( 10.978 -0.282 0.000) 10.981 22.597 ( 9.097 0.112 0.000) 9.097 25.165 ( 6.228 3.663 0.000) 7.225 25.462 ( 0.537 -12.605 0.000) 12.617 28.154 ( -9.564 0.783 0.000) 9.596 28.204 ( -9.523 2.511 0.000) 9.848 29.052 ( -18.499 -28.087 0.000) 33.631 30.623 ( -18.889 -26.062 0.000) 32.187 30.799 ( -23.573 -33.442 0.000) 40.916======================= Grid point 48 (26/132) =======================q-point: ( 0.35 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.286 ( -11.907 -19.385 0.000) 22.750 7.036 ( 24.041 16.441 0.000) 29.126 9.971 ( -4.475 40.795 0.000) 41.040 11.323 ( 35.951 11.592 0.000) 37.774 11.415 ( -2.710 36.090 0.000) 36.192 12.242 ( 5.358 5.361 0.000) 7.580 13.510 ( 11.423 42.014 0.000) 43.540 14.285 ( 10.964 1.352 0.000) 11.047 14.353 ( 1.336 -15.985 0.000) 16.041 15.517 ( 10.140 36.045 0.000) 37.444 15.634 ( -8.252 -3.165 0.000) 8.838 16.253 ( -18.445 2.719 0.000) 18.644 16.620 ( -5.751 9.260 0.000) 10.900 16.800 ( 0.994 10.087 0.000) 10.136 17.638 ( -4.883 17.269 0.000) 17.946 18.180 ( 16.990 27.830 0.000) 32.606 19.767 ( 25.790 11.718 0.000) 28.327 19.767 ( -9.220 4.349 0.000) 10.194 20.604 ( 24.408 7.341 0.000) 25.488 21.063 ( 9.163 2.732 0.000) 9.561 21.649 ( 23.430 8.476 0.000) 24.916 22.597 ( 42.170 11.999 0.000) 43.844 22.763 ( 7.224 4.499 0.000) 8.510 25.338 ( 8.722 4.361 0.000) 9.752 25.448 ( 11.292 -8.597 0.000) 14.192 28.007 ( -9.243 3.296 0.000) 9.813 28.071 ( -9.016 3.820 0.000) 9.792 28.469 ( -14.708 -28.354 0.000) 31.942 29.931 ( -24.965 -32.332 0.000) 40.849 30.075 ( -20.592 -29.892 0.000) 36.298======================= Grid point 49 (27/132) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 606Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.954 ( -3.758 -17.227 0.000) 17.632 7.546 ( 14.340 13.602 0.000) 19.765 10.209 ( -10.944 33.718 0.000) 35.449 11.665 ( -11.187 36.528 0.000) 38.203 11.871 ( 20.993 -3.115 0.000) 21.222 12.350 ( 2.083 3.031 0.000) 3.677 14.085 ( 4.630 37.198 0.000) 37.485 14.294 ( 11.490 -10.250 0.000) 15.398 14.429 ( 6.828 -3.058 0.000) 7.482 15.312 ( -13.334 -22.000 0.000) 25.726 15.980 ( 5.150 27.946 0.000) 28.417 16.051 ( -17.094 19.191 0.000) 25.701 16.489 ( -8.621 -1.464 0.000) 8.745 16.965 ( -6.532 23.819 0.000) 24.699 17.715 ( -12.558 27.555 0.000) 30.282 18.492 ( -6.663 23.127 0.000) 24.067 19.587 ( -5.571 -6.720 0.000) 8.729 20.361 ( 23.913 5.921 0.000) 24.635 21.033 ( 16.398 0.707 0.000) 16.414 21.202 ( 11.874 3.919 0.000) 12.504 21.910 ( 4.452 -11.465 0.000) 12.299 22.926 ( 3.474 7.351 0.000) 8.131 23.449 ( 37.650 5.379 0.000) 38.032 25.543 ( 8.693 3.836 0.000) 9.502 25.679 ( 21.409 -7.389 0.000) 22.649 27.902 ( -7.702 5.494 0.000) 9.461 27.977 ( -6.388 5.361 0.000) 8.340 27.992 ( -6.351 -26.189 0.000) 26.948 29.199 ( -19.912 -27.426 0.000) 33.892 29.492 ( -12.447 -23.958 0.000) 26.998======================= Grid point 50 (28/132) =======================q-point: ( 0.45 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.830 ( 6.899 -11.950 0.000) 13.799 7.751 ( -2.769 4.795 0.000) 5.537 10.283 ( -16.817 29.127 0.000) 33.633 11.754 ( -19.612 33.969 0.000) 39.224 12.029 ( 7.811 -13.530 0.000) 15.623 12.382 ( -0.626 1.084 0.000) 1.252 14.216 ( -6.875 11.908 0.000) 13.750 14.473 ( 3.356 -5.812 0.000) 6.711 14.667 ( -12.222 21.170 0.000) 24.445 14.856 ( 19.149 -33.166 0.000) 38.297 16.005 ( -14.023 24.288 0.000) 28.046 16.232 ( -11.274 19.527 0.000) 22.548 16.342 ( -0.009 0.015 0.000) 0.017 17.028 ( -13.377 23.170 0.000) 26.755 17.746 ( -18.124 31.392 0.000) 36.248 18.537 ( -12.785 22.144 0.000) 25.570 19.498 ( 4.070 -7.049 0.000) 8.139 20.578 ( 0.841 -1.457 0.000) 1.682 21.179 ( 4.227 -7.321 0.000) 8.453 21.591 ( 8.521 -14.759 0.000) 17.042 21.650 ( 2.936 -5.086 0.000) 5.873 23.000 ( -3.159 5.471 0.000) 6.317 23.839 ( 7.542 -13.063 0.000) 15.084 25.655 ( 0.467 -0.810 0.000) 0.935 25.872 ( 10.295 -17.832 0.000) 20.591 27.787 ( 10.387 -17.991 0.000) 20.774 27.857 ( -4.247 7.355 0.000) 8.493 27.956 ( -4.054 7.022 0.000) 8.108 28.841 ( 5.951 -10.308 0.000) 11.902 29.243 ( 6.835 -11.838 0.000) 13.669======================= Grid point 65 (29/132) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.106 ( -16.037 -27.777 0.000) 32.074 5.380 ( 1.952 3.381 0.000) 3.904 7.866 ( 30.958 53.620 0.000) 61.915 7.977 ( 35.624 61.703 0.000) 71.248 9.994 ( 19.131 33.137 0.000) 38.263 11.237 ( 28.736 49.773 0.000) 57.473 11.392 ( 11.110 19.243 0.000) 22.220 12.325 ( 42.628 73.833 0.000) 85.256 12.827 ( 19.452 33.691 0.000) 38.903 14.302 ( 5.329 9.230 0.000) 10.658 14.951 ( 17.335 30.024 0.000) 34.669 15.468 ( 22.052 38.195 0.000) 44.103 15.768 ( 4.542 7.867 0.000) 9.084 16.691 ( 14.523 25.155 0.000) 29.047 17.090 ( -1.910 -3.308 0.000) 3.820 17.114 ( 25.792 44.672 0.000) 51.583 17.286 ( 1.775 3.074 0.000) 3.550 17.325 ( 25.258 43.748 0.000) 50.516 17.872 ( 10.881 18.846 0.000) 21.762 21.155 ( -1.648 -2.855 0.000) 3.296 21.781 ( -7.908 -13.697 0.000) 15.816 21.984 ( 5.424 9.394 0.000) 10.848 22.086 ( -7.579 -13.128 0.000) 15.158 24.949 ( 1.253 2.170 0.000) 2.505 25.930 ( -9.735 -16.862 0.000) 19.470 28.521 ( -2.583 -4.475 0.000) 5.167 28.547 ( -1.815 -3.144 0.000) 3.631 30.402 ( -18.689 -32.371 0.000) 37.379 31.416 ( -4.960 -8.591 0.000) 9.920 32.165 ( -15.853 -27.459 0.000) 31.707======================= Grid point 66 (30/132) =======================q-point: ( 0.20 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.474 ( -23.242 -22.287 0.000) 32.202 5.645 ( 17.814 8.450 0.000) 19.716 8.954 ( 35.568 44.184 0.000) 56.721 9.132 ( 22.923 61.850 0.000) 65.961 10.628 ( 16.959 29.099 0.000) 33.680 11.733 ( 9.051 14.042 0.000) 16.707 12.223 ( 23.217 52.677 0.000) 57.566 13.414 ( 12.720 39.215 0.000) 41.226 13.817 ( 46.558 45.997 0.000) 65.447 14.359 ( 2.980 -9.693 0.000) 10.141 15.544 ( 17.718 30.572 0.000) 35.335 15.891 ( -0.672 8.729 0.000) 8.754 16.239 ( 24.361 32.463 0.000) 40.587 16.991 ( -7.080 -0.120 0.000) 7.081 17.012 ( 5.385 2.772 0.000) 6.057 17.331 ( 5.507 -0.733 0.000) 5.556 18.157 ( 34.843 45.528 0.000) 57.331 18.194 ( 18.961 49.814 0.000) 53.300 18.647 ( 45.695 30.022 0.000) 54.675 20.988 ( -14.344 -0.864 0.000) 14.370 21.447 ( -15.561 -3.924 0.000) 16.048 21.941 ( 1.442 -10.157 0.000) 10.258 22.193 ( 11.164 2.019 0.000) 11.345 25.010 ( 2.711 3.120 0.000) 4.134 25.604 ( -7.869 -16.120 0.000) 17.938 28.421 ( -4.733 -2.437 0.000) 5.324 28.473 ( -4.365 -0.632 0.000) 4.411 29.736 ( -19.682 -31.667 0.000) 37.285 31.134 ( -10.848 -19.105 0.000) 21.970 31.547 ( -19.249 -33.076 0.000) 38.270======================= Grid point 67 (31/132) =======================q-point: ( 0.25 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.857 ( -19.934 -24.006 0.000) 31.203 6.147 ( 23.653 17.057 0.000) 29.162 9.994 ( 36.364 34.644 0.000) 50.225 10.003 ( 6.311 57.815 0.000) 58.158 11.197 ( 15.231 27.882 0.000) 31.771 12.006 ( 7.576 11.096 0.000) 13.436 13.091 ( 14.740 50.302 0.000) 52.417 13.918 ( 8.350 24.198 0.000) 25.598 14.257 ( 3.157 -18.668 0.000) 18.933 14.945 ( 29.363 41.247 0.000) 50.631 15.901 ( -5.467 3.273 0.000) 6.372 16.234 ( 23.533 31.390 0.000) 39.232 16.846 ( -13.255 7.462 0.000) 15.210 16.849 ( 1.956 11.451 0.000) 11.617 17.189 ( 22.271 21.246 0.000) 30.780 17.470 ( 9.965 1.508 0.000) 10.078 19.026 ( 22.279 34.456 0.000) 41.031 19.198 ( 34.265 36.085 0.000) 49.761 19.799 ( 49.271 24.450 0.000) 55.004 20.664 ( -19.376 -2.771 0.000) 19.573 21.269 ( -2.757 5.247 0.000) 5.927 21.898 ( 2.478 -3.291 0.000) 4.120 22.413 ( 11.800 1.968 0.000) 11.963 25.107 ( 4.409 3.599 0.000) 5.691 25.338 ( -3.460 -15.835 0.000) 16.208 28.308 ( -6.666 0.204 0.000) 6.669 28.381 ( -6.873 2.131 0.000) 7.196 29.071 ( -18.879 -32.295 0.000) 37.409 30.656 ( -16.325 -27.462 0.000) 31.948 30.825 ( -21.319 -37.560 0.000) 43.188======================= Grid point 68 (32/132) =======================q-point: ( 0.30 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.295 ( -15.017 -25.241 0.000) 29.370 6.786 ( 25.320 21.497 0.000) 33.215 10.536 ( -6.302 48.651 0.000) 49.058 10.906 ( 31.865 24.381 0.000) 40.122 11.726 ( 10.124 31.032 0.000) 32.642 12.227 ( 5.137 10.131 0.000) 11.359 13.690 ( 6.588 23.759 0.000) 24.656 14.174 ( 5.584 -4.687 0.000) 7.291 14.206 ( 3.785 12.187 0.000) 12.761 15.711 ( 13.117 37.811 0.000) 40.022 15.764 ( -9.974 -2.983 0.000) 10.411 16.699 ( -17.320 17.917 0.000) 24.920 16.767 ( -6.530 1.107 0.000) 6.623 16.924 ( 12.982 32.675 0.000) 35.160 17.706 ( 10.576 8.597 0.000) 13.629 18.036 ( 31.474 33.038 0.000) 45.630 19.569 ( 12.424 15.133 0.000) 19.580 19.972 ( 8.775 18.659 0.000) 20.619 20.341 ( -0.908 -3.838 0.000) 3.944 20.738 ( 32.833 9.624 0.000) 34.215 21.448 ( 10.946 7.717 0.000) 13.393 22.088 ( 22.871 6.193 0.000) 23.695 22.659 ( 11.020 7.177 0.000) 13.151 25.187 ( 4.635 -14.095 0.000) 14.838 25.241 ( 6.701 3.759 0.000) 7.683 28.196 ( -7.817 3.231 0.000) 8.458 28.277 ( -8.707 4.349 0.000) 9.732 28.422 ( -16.386 -33.735 0.000) 37.504 29.991 ( -22.248 -36.512 0.000) 42.757 30.088 ( -18.708 -34.977 0.000) 39.666======================= Grid point 69 (33/132) =======================q-point: ( 0.35 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.837 ( -7.447 -24.379 0.000) 25.491 7.416 ( 19.779 20.716 0.000) 28.642 10.811 ( -13.035 40.763 0.000) 42.796 11.556 ( 19.598 11.614 0.000) 22.781 12.150 ( 1.989 29.975 0.000) 30.041 12.389 ( -0.419 13.325 0.000) 13.332 13.840 ( 15.104 -16.086 0.000) 22.066 14.323 ( 2.187 1.921 0.000) 2.911 14.358 ( 0.651 15.736 0.000) 15.750 15.520 ( -16.847 4.474 0.000) 17.431 16.184 ( 3.376 25.773 0.000) 25.993 16.613 ( -18.260 26.710 0.000) 32.355 16.670 ( -8.347 9.830 0.000) 12.896 17.391 ( -2.176 38.362 0.000) 38.424 18.002 ( 7.017 18.127 0.000) 19.438 18.750 ( 10.210 28.015 0.000) 29.818 19.733 ( -19.110 -7.361 0.000) 20.479 19.959 ( 23.063 7.442 0.000) 24.234 20.706 ( 21.141 1.560 0.000) 21.198 21.089 ( 7.195 -0.743 0.000) 7.233 21.674 ( 9.679 -5.445 0.000) 11.105 22.786 ( 41.650 5.913 0.000) 42.068 22.933 ( 7.477 12.757 0.000) 14.787 25.238 ( 16.056 -12.478 0.000) 20.335 25.421 ( 9.153 3.772 0.000) 9.900 27.829 ( -10.656 -34.316 0.000) 35.932 28.104 ( -7.917 5.970 0.000) 9.916 28.166 ( -8.900 4.957 0.000) 10.187 29.236 ( -19.750 -34.526 0.000) 39.775 29.449 ( -14.477 -31.204 0.000) 34.399======================= Grid point 70 (34/132) =======================q-point: ( 0.40 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.569 ( 3.585 -20.287 0.000) 20.601 7.827 ( 4.944 13.870 0.000) 14.725 10.928 ( -17.677 36.089 0.000) 40.185 11.826 ( 6.388 -0.718 0.000) 6.428 12.384 ( -0.060 11.907 0.000) 11.907 12.477 ( -14.366 29.445 0.000) 32.763 14.052 ( 26.537 -15.806 0.000) 30.888 14.348 ( -3.613 -13.365 0.000) 13.845 14.349 ( 3.261 -5.078 0.000) 6.035 15.339 ( -22.569 30.402 0.000) 37.864 16.351 ( -1.378 7.054 0.000) 7.188 16.588 ( -18.461 31.170 0.000) 36.227 16.687 ( -12.205 25.554 0.000) 28.319 17.625 ( -15.474 38.280 0.000) 41.289 18.274 ( -4.639 26.673 0.000) 27.073 18.993 ( -9.827 25.439 0.000) 27.271 19.380 ( -5.499 -13.596 0.000) 14.666 20.432 ( 17.922 1.076 0.000) 17.954 20.960 ( 11.481 -7.804 0.000) 13.883 21.190 ( 12.702 -8.721 0.000) 15.408 21.612 ( -2.952 -13.258 0.000) 13.583 23.131 ( -1.049 12.858 0.000) 12.901 23.425 ( 26.351 -8.030 0.000) 27.548 25.416 ( 18.452 -18.712 0.000) 26.280 25.602 ( 6.052 1.828 0.000) 6.322 27.413 ( 3.360 -30.127 0.000) 30.314 28.030 ( -7.076 6.304 0.000) 9.476 28.099 ( -4.430 5.851 0.000) 7.339 28.691 ( -6.453 -21.315 0.000) 22.271 29.028 ( -1.069 -20.664 0.000) 20.692======================= Grid point 86 (35/132) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.918 ( -17.382 -30.106 0.000) 34.763 6.014 ( 14.694 25.451 0.000) 29.388 9.850 ( 25.085 43.448 0.000) 50.170 10.297 ( 29.451 51.010 0.000) 58.902 11.153 ( 13.515 23.408 0.000) 27.030 11.998 ( 7.022 12.163 0.000) 14.045 13.243 ( 26.714 46.271 0.000) 53.429 14.046 ( 13.435 23.271 0.000) 26.871 14.108 ( -8.211 -14.223 0.000) 16.423 14.808 ( 28.561 49.469 0.000) 57.122 15.968 ( -0.759 -1.315 0.000) 1.518 16.217 ( 20.522 35.546 0.000) 41.045 16.984 ( -1.899 -3.289 0.000) 3.798 16.988 ( 22.980 39.803 0.000) 45.960 17.071 ( 4.093 7.089 0.000) 8.186 17.325 ( 0.961 1.665 0.000) 1.923 19.065 ( 24.432 42.317 0.000) 48.863 19.130 ( 20.616 35.708 0.000) 41.232 19.348 ( 24.228 41.963 0.000) 48.455 20.853 ( -7.069 -12.244 0.000) 14.139 21.341 ( -2.473 -4.283 0.000) 4.945 21.855 ( 0.270 0.467 0.000) 0.539 22.298 ( 5.058 8.760 0.000) 10.115 25.086 ( 2.483 4.301 0.000) 4.966 25.284 ( -8.605 -14.904 0.000) 17.210 28.371 ( -1.402 -2.429 0.000) 2.805 28.458 ( -0.588 -1.018 0.000) 1.175 29.071 ( -19.400 -33.602 0.000) 38.800 30.657 ( -15.852 -27.457 0.000) 31.705 30.817 ( -22.143 -38.352 0.000) 44.285======================= Grid point 87 (36/132) =======================q-point: ( 0.25 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.302 ( -17.297 -29.418 0.000) 34.126 6.617 ( 21.549 27.997 0.000) 35.330 10.699 ( 25.649 34.343 0.000) 42.864 11.104 ( 1.930 49.319 0.000) 49.357 11.663 ( 22.429 18.186 0.000) 28.876 12.236 ( 6.786 11.458 0.000) 13.316 13.757 ( -8.319 -12.502 0.000) 15.017 14.088 ( 17.478 27.117 0.000) 32.262 14.372 ( 0.049 18.154 0.000) 18.154 15.752 ( 25.255 38.971 0.000) 46.439 15.888 ( -4.781 -0.633 0.000) 4.823 16.846 ( 3.488 6.896 0.000) 7.728 17.029 ( 12.637 34.855 0.000) 37.075 17.157 ( -11.037 20.686 0.000) 23.446 17.507 ( 17.103 2.731 0.000) 17.320 17.838 ( 28.725 34.972 0.000) 45.256 19.633 ( 4.491 24.811 0.000) 25.214 19.830 ( 22.442 25.209 0.000) 33.751 20.240 ( 35.606 19.571 0.000) 40.630 20.513 ( -16.487 -12.264 0.000) 20.548 21.352 ( 5.009 2.761 0.000) 5.719 21.927 ( 5.272 5.333 0.000) 7.499 22.551 ( 11.244 12.342 0.000) 16.696 25.023 ( -3.256 -14.549 0.000) 14.908 25.185 ( 4.005 4.002 0.000) 5.662 28.323 ( -3.334 1.187 0.000) 3.539 28.378 ( -19.082 -35.559 0.000) 40.355 28.428 ( -3.623 2.268 0.000) 4.274 29.999 ( -23.276 -39.711 0.000) 46.030 30.047 ( -18.088 -35.211 0.000) 39.585======================= Grid point 88 (37/132) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 606Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( -12.380 -28.889 0.000) 31.430 7.292 ( 21.441 27.473 0.000) 34.849 11.408 ( 18.881 24.839 0.000) 31.200 11.448 ( -10.997 40.335 0.000) 41.807 12.193 ( 13.282 14.161 0.000) 19.414 12.518 ( 10.340 18.563 0.000) 21.248 13.475 ( 1.542 -24.094 0.000) 24.143 14.434 ( -7.203 7.803 0.000) 10.619 14.454 ( 1.029 7.096 0.000) 7.170 15.876 ( -6.407 19.905 0.000) 20.911 16.389 ( 4.848 29.316 0.000) 29.714 16.915 ( 0.249 16.704 0.000) 16.706 17.171 ( -13.072 25.516 0.000) 28.669 17.721 ( 12.093 42.707 0.000) 44.386 17.900 ( 18.361 10.991 0.000) 21.400 18.669 ( 27.701 28.272 0.000) 39.581 19.863 ( 1.312 15.025 0.000) 15.083 20.027 ( -21.755 -11.388 0.000) 24.556 20.367 ( 18.817 4.309 0.000) 19.304 20.854 ( 18.746 2.418 0.000) 18.901 21.495 ( 7.984 -3.126 0.000) 8.574 22.233 ( 24.270 6.831 0.000) 25.213 22.924 ( 11.755 19.033 0.000) 22.370 24.898 ( 6.016 -14.492 0.000) 15.692 25.314 ( 6.643 3.304 0.000) 7.420 27.692 ( -15.949 -37.729 0.000) 40.962 28.278 ( -5.105 4.653 0.000) 6.907 28.367 ( -7.491 4.116 0.000) 8.548 29.201 ( -19.500 -39.096 0.000) 43.689 29.378 ( -16.251 -34.809 0.000) 38.415======================= Grid point 89 (38/132) =======================q-point: ( 0.35 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( -2.503 -26.383 0.000) 26.501 7.860 ( 12.076 22.395 0.000) 25.444 11.599 ( -15.524 36.324 0.000) 39.503 11.799 ( 3.559 12.317 0.000) 12.821 12.412 ( 2.924 6.085 0.000) 6.751 12.918 ( 4.658 26.530 0.000) 26.936 13.419 ( 19.937 -22.435 0.000) 30.014 14.320 ( -6.355 -3.590 0.000) 7.299 14.325 ( -7.582 -13.974 0.000) 15.898 16.012 ( -13.763 36.982 0.000) 39.460 16.571 ( -8.171 20.429 0.000) 22.003 17.157 ( -5.678 31.688 0.000) 32.193 17.219 ( -14.791 31.218 0.000) 34.545 18.237 ( -4.019 42.636 0.000) 42.825 18.360 ( 17.654 16.642 0.000) 24.261 19.297 ( 9.736 24.424 0.000) 26.293 19.493 ( -22.083 -15.328 0.000) 26.881 20.089 ( 14.520 5.971 0.000) 15.700 20.640 ( 14.441 -8.211 0.000) 16.612 20.970 ( 2.619 -12.465 0.000) 12.737 21.522 ( 1.445 -5.923 0.000) 6.096 22.812 ( 33.462 -3.817 0.000) 33.679 23.288 ( 3.875 21.856 0.000) 22.197 24.915 ( 14.172 -19.907 0.000) 24.436 25.488 ( 9.034 2.698 0.000) 9.429 27.090 ( -6.791 -37.848 0.000) 38.452 28.220 ( -9.992 0.475 0.000) 10.004 28.234 ( -6.269 2.966 0.000) 6.935 28.604 ( -9.409 -24.553 0.000) 26.294 28.856 ( -5.535 -24.827 0.000) 25.437======================= Grid point 90 (39/132) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.152 ( 11.509 -19.935 0.000) 23.019 8.094 ( -6.867 11.893 0.000) 13.733 11.646 ( -19.574 33.902 0.000) 39.147 11.866 ( -3.019 5.228 0.000) 6.037 12.466 ( -1.729 2.994 0.000) 3.458 13.113 ( -13.349 23.120 0.000) 26.697 13.567 ( 16.912 -29.292 0.000) 33.824 14.108 ( 4.318 -7.479 0.000) 8.636 14.225 ( 3.614 -6.260 0.000) 7.229 16.084 ( -21.867 37.875 0.000) 43.734 16.598 ( -11.608 20.105 0.000) 23.215 17.254 ( -18.815 32.589 0.000) 37.631 17.273 ( -17.035 29.506 0.000) 34.071 18.421 ( -21.597 37.407 0.000) 43.194 18.755 ( -10.117 17.522 0.000) 20.233 19.063 ( 8.321 -14.412 0.000) 16.642 19.489 ( -12.396 21.471 0.000) 24.793 20.357 ( 6.235 -10.800 0.000) 12.470 20.723 ( 8.720 -15.104 0.000) 17.440 20.844 ( 10.039 -17.389 0.000) 20.079 21.493 ( 0.400 -0.693 0.000) 0.800 23.124 ( 12.143 -21.033 0.000) 24.286 23.442 ( -9.968 17.264 0.000) 19.935 24.943 ( 15.249 -26.412 0.000) 30.498 25.610 ( 0.802 -1.390 0.000) 1.604 26.802 ( 16.585 -28.725 0.000) 33.169 28.102 ( 0.785 -1.359 0.000) 1.569 28.172 ( -0.132 0.229 0.000) 0.264 28.403 ( 2.705 -4.685 0.000) 5.410 28.697 ( 6.327 -10.959 0.000) 12.654======================= Grid point 108 (40/132) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.698 ( -16.870 -29.219 0.000) 33.739 7.239 ( 18.527 32.089 0.000) 37.053 11.372 ( 17.993 31.165 0.000) 35.986 11.961 ( 15.863 27.476 0.000) 31.727 11.963 ( 10.389 17.993 0.000) 20.777 12.484 ( 8.179 14.166 0.000) 16.357 13.334 ( -12.737 -22.061 0.000) 25.474 14.480 ( 2.074 3.593 0.000) 4.149 14.573 ( 0.509 0.881 0.000) 1.018 16.052 ( 10.637 18.424 0.000) 21.275 16.543 ( 21.488 37.219 0.000) 42.976 16.948 ( 5.101 8.835 0.000) 10.202 17.496 ( 4.327 7.495 0.000) 8.654 17.709 ( 12.331 21.359 0.000) 24.663 17.857 ( 23.103 40.015 0.000) 46.206 18.524 ( 18.496 32.035 0.000) 36.991 20.018 ( 7.510 13.007 0.000) 15.019 20.175 ( -11.849 -20.524 0.000) 23.699 20.207 ( 6.991 12.108 0.000) 13.982 20.630 ( 10.806 18.717 0.000) 21.612 21.370 ( -0.678 -1.175 0.000) 1.356 22.082 ( 5.551 9.614 0.000) 11.101 22.915 ( 13.069 22.636 0.000) 26.138 24.765 ( -6.131 -10.619 0.000) 12.262 25.270 ( 2.553 4.422 0.000) 5.106 27.638 ( -21.250 -36.807 0.000) 42.501 28.352 ( 0.918 1.590 0.000) 1.836 28.465 ( 0.571 0.989 0.000) 1.141 29.165 ( -23.069 -39.957 0.000) 46.139 29.339 ( -19.877 -34.428 0.000) 39.754======================= Grid point 109 (41/132) =======================q-point: ( 0.30 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.151 ( -10.991 -27.864 0.000) 29.953 7.866 ( 16.075 27.832 0.000) 32.141 11.906 ( 7.776 23.797 0.000) 25.035 12.163 ( -8.188 29.709 0.000) 30.817 12.400 ( 8.034 8.208 0.000) 11.485 12.879 ( 18.042 15.516 0.000) 23.796 12.965 ( 1.619 -24.754 0.000) 24.807 14.320 ( -8.659 -15.219 0.000) 17.510 14.439 ( -9.895 -7.591 0.000) 12.471 16.505 ( 3.644 36.460 0.000) 36.642 17.020 ( -8.039 34.740 0.000) 35.658 17.369 ( 18.906 24.110 0.000) 30.639 17.635 ( -1.014 18.104 0.000) 18.133 18.182 ( 16.591 17.066 0.000) 23.802 18.574 ( 11.619 39.207 0.000) 40.893 19.136 ( 22.508 16.894 0.000) 28.143 19.704 ( -18.273 -18.348 0.000) 25.895 20.175 ( -3.453 11.639 0.000) 12.141 20.353 ( 7.171 -5.978 0.000) 9.336 20.883 ( -0.564 3.709 0.000) 3.752 21.372 ( 9.189 -6.496 0.000) 11.253 22.327 ( 15.917 2.020 0.000) 16.045 23.411 ( 11.829 27.763 0.000) 30.178 24.580 ( 0.581 -17.299 0.000) 17.309 25.374 ( 5.659 2.646 0.000) 6.247 26.907 ( -17.087 -38.864 0.000) 42.455 28.364 ( -9.663 -5.148 0.000) 10.949 28.385 ( -9.341 -4.031 0.000) 10.173 28.507 ( -5.406 -20.205 0.000) 20.916 28.724 ( -9.546 -25.685 0.000) 27.401======================= Grid point 110 (42/132) =======================q-point: ( 0.35 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 600Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( 2.223 -23.093 0.000) 23.200 8.290 ( 2.818 18.771 0.000) 18.981 12.053 ( -8.115 12.527 0.000) 14.926 12.273 ( -13.299 28.675 0.000) 31.609 12.527 ( -0.657 6.576 0.000) 6.609 12.971 ( 20.194 -20.922 0.000) 29.078 13.302 ( 11.042 10.473 0.000) 15.219 14.007 ( -5.070 -14.798 0.000) 15.642 14.161 ( -6.994 -10.959 0.000) 13.000 16.805 ( -14.002 38.867 0.000) 41.312 17.158 ( -16.781 36.030 0.000) 39.746 17.791 ( -3.824 28.523 0.000) 28.779 17.810 ( -6.674 24.816 0.000) 25.698 18.611 ( 19.701 2.669 0.000) 19.881 19.025 ( -3.916 32.502 0.000) 32.737 19.206 ( -21.129 -6.446 0.000) 22.091 19.626 ( 18.179 4.939 0.000) 18.838 20.135 ( -1.637 -9.493 0.000) 9.634 20.378 ( 10.058 -17.186 0.000) 19.913 20.762 ( -10.811 5.175 0.000) 11.986 21.497 ( 3.154 2.637 0.000) 4.111 22.628 ( 20.631 -13.717 0.000) 24.775 23.798 ( -2.778 27.451 0.000) 27.591 24.431 ( 9.123 -26.513 0.000) 28.039 25.530 ( 8.310 1.465 0.000) 8.439 26.317 ( -1.888 -37.258 0.000) 37.306 28.002 ( -2.457 -14.448 0.000) 14.655 28.136 ( -5.545 -14.905 0.000) 15.903 28.428 ( -1.768 3.650 0.000) 4.056 28.577 ( 0.739 -3.221 0.000) 3.304======================= Grid point 129 (43/132) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 333Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( -11.178 -19.361 0.000) 22.356 8.363 ( 11.104 19.233 0.000) 22.208 12.332 ( 8.196 14.195 0.000) 16.391 12.493 ( 2.704 4.684 0.000) 5.409 12.539 ( -7.414 -12.841 0.000) 14.827 12.697 ( 10.394 18.002 0.000) 20.787 13.149 ( 6.732 11.659 0.000) 13.463 13.977 ( -9.263 -16.044 0.000) 18.526 14.183 ( -8.807 -15.254 0.000) 17.613 17.207 ( 17.091 29.603 0.000) 34.182 17.698 ( 13.422 23.248 0.000) 26.845 17.837 ( 14.653 25.380 0.000) 29.306 17.911 ( 6.535 11.319 0.000) 13.070 18.471 ( 2.656 4.600 0.000) 5.311 19.235 ( 13.680 23.694 0.000) 27.360 19.379 ( 5.042 8.734 0.000) 10.085 19.396 ( -4.131 -7.155 0.000) 8.262 20.097 ( -9.838 -17.041 0.000) 19.677 20.153 ( -7.187 -12.449 0.000) 14.374 21.109 ( 6.056 10.490 0.000) 12.113 21.360 ( 5.327 9.227 0.000) 10.654 22.329 ( -0.411 -0.711 0.000) 0.821 23.991 ( 15.618 27.051 0.000) 31.235 24.195 ( -11.044 -19.129 0.000) 22.089 25.429 ( 1.922 3.330 0.000) 3.845 26.148 ( -19.777 -34.255 0.000) 39.554 27.948 ( -8.902 -15.419 0.000) 17.804 28.104 ( -11.173 -19.353 0.000) 22.346 28.470 ( 1.935 3.351 0.000) 3.869 28.557 ( -0.030 -0.053 0.000) 0.061======================= Grid point 130 (44/132) =======================q-point: ( 0.35 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 330Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 5.888 -10.199 0.000) 11.776 8.572 ( -4.440 7.690 0.000) 8.880 12.306 ( -7.176 12.429 0.000) 14.352 12.538 ( -1.392 2.411 0.000) 2.785 12.595 ( 9.049 -15.674 0.000) 18.099 12.888 ( -13.080 22.656 0.000) 26.161 13.312 ( 5.456 -9.451 0.000) 10.913 13.783 ( 3.549 -6.148 0.000) 7.099 13.971 ( 3.008 -5.211 0.000) 6.017 17.541 ( -18.053 31.268 0.000) 36.105 17.898 ( -18.166 31.464 0.000) 36.332 18.146 ( -3.113 5.392 0.000) 6.226 18.200 ( -4.217 7.304 0.000) 8.434 18.335 ( 11.659 -20.194 0.000) 23.318 19.412 ( -11.274 19.527 0.000) 22.548 19.475 ( 1.160 -2.010 0.000) 2.321 19.519 ( -1.343 2.327 0.000) 2.687 19.805 ( 7.057 -12.223 0.000) 14.113 19.971 ( 12.147 -21.039 0.000) 24.293 21.183 ( -14.396 24.935 0.000) 28.793 21.540 ( 1.606 -2.782 0.000) 3.213 22.332 ( 6.594 -11.422 0.000) 13.189 23.953 ( 9.125 -15.805 0.000) 18.250 24.330 ( -11.911 20.630 0.000) 23.821 25.539 ( 1.237 -2.143 0.000) 2.474 25.660 ( 12.344 -21.380 0.000) 24.687 27.809 ( 2.253 -3.902 0.000) 4.505 27.878 ( 4.645 -8.045 0.000) 9.290 28.510 ( -1.796 3.111 0.000) 3.593 28.557 ( 0.370 -0.640 0.000) 0.739======================= Grid point 421 (45/132) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( 0.000 0.000 78.525) 78.525 1.629 ( -0.000 -0.000 78.525) 78.525 2.630 ( -0.000 0.000 126.189) 126.189 6.122 ( 0.000 0.000 -64.077) 64.077 6.122 ( 0.000 -0.000 -64.077) 64.077 8.454 ( 0.000 -0.000 46.379) 46.379 8.454 ( 0.000 0.000 46.379) 46.379 9.322 ( 0.000 0.000 -74.782) 74.782 10.302 ( 0.000 0.000 -12.262) 12.262 10.302 ( 0.000 0.000 -12.262) 12.262 12.664 ( 0.000 0.000 23.336) 23.336 13.300 ( 0.000 0.000 -1.427) 1.427 15.932 ( 0.000 0.000 0.033) 0.033 15.932 ( 0.000 0.000 0.033) 0.033 15.947 ( 0.000 -0.000 -0.296) 0.296 15.947 ( 0.000 -0.000 -0.296) 0.296 16.266 ( 0.000 -0.000 0.275) 0.275 16.266 ( 0.000 0.000 0.275) 0.275 16.284 ( 0.000 0.000 -0.103) 0.103 16.284 ( -0.000 0.000 -0.103) 0.103 20.218 ( 0.000 0.000 21.256) 21.256 21.767 ( 0.000 -0.000 -13.710) 13.710 26.575 ( -0.000 -0.000 7.731) 7.731 27.538 ( 0.000 0.000 -14.781) 14.781 28.866 ( 0.000 0.000 0.154) 0.154 28.866 ( 0.000 -0.000 0.154) 0.154 28.880 ( 0.000 0.000 -0.154) 0.154 28.880 ( 0.000 0.000 -0.154) 0.154 32.146 ( -0.000 -0.000 14.608) 14.608 33.180 ( 0.000 0.000 -9.365) 9.365======================= Grid point 422 (46/132) =======================q-point: ( 0.05 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.238 ( 44.477 25.679 56.924) 76.668 2.322 ( 46.350 26.760 55.142) 76.845 3.685 ( 78.400 45.265 87.063) 125.600 6.299 ( 14.772 8.528 -61.953) 64.258 6.308 ( 11.015 6.360 -61.722) 63.019 8.498 ( 6.885 3.975 34.342) 35.250 8.577 ( 10.382 5.994 45.508) 47.061 9.668 ( 27.709 15.998 -54.767) 63.428 10.047 ( -97.744 -56.432 96.159) 148.273 10.399 ( 8.216 4.743 -12.131) 15.400 10.756 ( 5.295 3.057 22.461) 23.278 12.521 ( -8.408 -4.854 6.000) 11.413 15.735 ( -11.240 -6.490 0.009) 12.979 15.744 ( -11.430 -6.599 -0.175) 13.199 15.842 ( -1.356 -0.783 2.708) 3.128 16.004 ( 5.882 3.396 -1.835) 7.036 16.486 ( 13.094 7.560 0.300) 15.122 16.509 ( 13.337 7.700 -0.221) 15.402 16.698 ( 26.720 15.427 12.861) 33.426 18.971 ( 101.703 58.718 -98.170) 153.064 20.334 ( 9.892 5.711 16.919) 20.414 21.712 ( -4.105 -2.370 -16.419) 17.090 25.811 ( -51.276 -29.604 2.777) 59.274 25.920 ( -76.294 -44.048 15.327) 89.420 28.823 ( -7.760 -4.480 66.338) 66.941 28.838 ( -2.085 -1.204 0.410) 2.442 28.875 ( -0.858 -0.495 -0.410) 1.073 29.517 ( 40.689 23.492 3.093) 47.085 32.849 ( 25.700 14.838 -36.974) 47.410 33.024 ( -12.941 -7.471 -9.073) 17.482======================= Grid point 423 (47/132) =======================q-point: ( 0.10 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.442 ( 55.059 31.788 36.559) 73.339 3.541 ( 54.888 31.690 28.027) 69.300 5.777 ( 91.832 53.019 51.602) 117.928 6.342 ( -9.718 -5.611 -40.386) 41.916 6.787 ( 25.979 14.999 -56.597) 64.055 8.289 ( -45.531 -26.287 89.783) 104.044 8.930 ( 19.340 11.166 43.202) 48.632 8.980 ( 34.905 20.153 21.288) 45.582 10.607 ( 48.129 27.787 -44.848) 71.414 10.685 ( 16.118 9.306 -11.852) 22.065 11.565 ( 47.087 27.185 -3.948) 54.514 12.479 ( 8.573 4.950 -16.240) 19.020 15.496 ( -8.635 -4.985 0.087) 9.971 15.509 ( -7.903 -4.563 -0.208) 9.128 15.900 ( 5.703 3.293 6.011) 8.916 16.212 ( 11.815 6.821 -2.995) 13.967 16.785 ( 11.749 6.783 0.319) 13.571 16.811 ( 11.726 6.770 -0.256) 13.542 17.295 ( 21.869 12.626 34.164) 42.483 20.565 ( 34.909 20.155 -35.701) 53.846 20.687 ( 25.301 14.608 -8.433) 30.408 21.633 ( -0.500 -0.289 -32.245) 32.250 24.554 ( -51.392 -29.671 -1.469) 59.361 24.649 ( -36.934 -21.324 -10.543) 43.931 28.536 ( -15.853 -9.153 79.366) 81.450 28.773 ( -3.398 -1.962 0.676) 3.982 28.834 ( -2.648 -1.529 -0.677) 3.132 30.423 ( 33.366 19.264 1.324) 38.551 32.602 ( -21.960 -12.679 -6.838) 26.263 33.127 ( 1.845 1.065 -27.037) 27.121======================= Grid point 424 (48/132) =======================q-point: ( 0.15 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.746 ( 55.048 31.782 25.937) 68.652 4.750 ( 41.291 23.839 6.814) 48.163 5.995 ( -7.467 -4.311 -15.789) 17.990 7.176 ( -6.476 -3.739 51.511) 52.051 7.478 ( 32.057 18.508 -49.857) 62.096 8.349 ( 76.434 44.129 47.184) 100.079 9.467 ( 25.979 14.999 40.096) 50.075 9.927 ( 40.384 23.316 5.258) 46.927 11.149 ( 23.224 13.408 -11.718) 29.265 11.824 ( 54.059 31.211 -51.647) 81.018 12.790 ( 52.617 30.379 -1.368) 60.773 13.077 ( 45.775 26.428 -16.994) 55.521 15.341 ( -4.481 -2.587 0.542) 5.203 15.390 ( -2.089 -1.206 -0.545) 2.473 16.093 ( 10.757 6.210 7.242) 14.378 16.567 ( 18.836 10.875 -4.627) 22.237 17.018 ( 7.788 4.497 0.294) 8.998 17.042 ( 7.672 4.430 -0.235) 8.862 17.689 ( 12.095 6.983 48.643) 50.609 20.857 ( 0.940 0.543 5.592) 5.696 21.356 ( 23.112 13.344 -9.930) 28.475 21.770 ( 9.354 5.400 -41.723) 43.099 23.486 ( -37.559 -21.685 -2.095) 43.420 24.032 ( -17.645 -10.187 -43.188) 47.752 28.111 ( -19.779 -11.419 79.051) 82.284 28.678 ( -4.665 -2.693 0.779) 5.442 28.749 ( -4.640 -2.679 -0.781) 5.415 30.991 ( 12.664 7.312 -11.858) 18.827 32.067 ( -20.864 -12.046 3.481) 24.342 33.043 ( -8.014 -4.627 -16.720) 19.110======================= Grid point 425 (49/132) =======================q-point: ( 0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.022 ( -8.691 -5.018 9.296) 13.680 5.997 ( 51.128 29.519 19.799) 62.269 6.406 ( 19.212 11.092 -26.570) 34.614 6.984 ( 14.087 8.133 59.765) 61.939 8.252 ( 33.121 19.123 -42.798) 57.397 10.130 ( 30.152 17.408 36.598) 50.514 10.235 ( 61.804 35.682 12.705) 72.487 10.868 ( 51.329 29.635 2.952) 59.343 11.764 ( 28.867 16.666 -12.087) 35.457 13.118 ( 55.188 31.863 -42.613) 76.660 13.974 ( 48.902 28.234 2.984) 56.546 14.484 ( 66.977 38.669 -16.854) 79.153 15.284 ( -0.480 -0.277 1.626) 1.718 15.413 ( 4.009 2.315 -1.281) 4.803 16.436 ( 20.052 11.577 8.889) 24.802 17.121 ( 28.788 16.621 -6.917) 33.954 17.142 ( 2.725 1.573 0.280) 3.159 17.165 ( 2.821 1.629 -0.230) 3.266 17.898 ( 6.776 3.912 52.931) 53.506 20.740 ( -8.569 -4.948 -1.397) 9.993 21.682 ( -6.776 -3.912 -10.561) 13.143 21.931 ( 13.109 7.568 -8.284) 17.255 22.860 ( -16.566 -9.565 -1.483) 19.187 23.808 ( -1.081 -0.624 -63.543) 63.556 27.636 ( -20.175 -11.648 74.776) 78.321 28.554 ( -5.881 -3.395 0.690) 6.826 28.617 ( -6.573 -3.795 -0.691) 7.622 30.889 ( -19.781 -11.421 -29.268) 37.126 31.786 ( -3.840 -2.217 17.132) 17.696 32.774 ( -14.696 -8.485 -10.274) 19.837======================= Grid point 426 (50/132) =======================q-point: ( 0.25 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.816 ( -7.011 -4.048 26.283) 27.502 6.338 ( -7.824 -4.517 3.193) 9.582 7.127 ( 44.708 25.812 15.785) 53.983 8.009 ( 54.091 31.229 14.355) 64.087 9.001 ( 30.110 17.384 -35.647) 49.795 10.865 ( 32.118 18.543 32.729) 49.463 11.010 ( 19.778 11.419 -27.150) 35.477 12.468 ( 67.875 39.187 22.486) 81.537 12.488 ( 32.324 18.662 -13.253) 39.607 14.308 ( 42.746 24.679 -27.441) 56.474 14.966 ( 35.794 20.666 8.294) 42.156 15.310 ( 2.473 1.428 3.541) 4.549 15.568 ( 8.810 5.086 -2.373) 10.446 16.086 ( 68.093 39.314 -22.547) 81.796 17.120 ( 38.088 21.990 10.231) 45.155 17.146 ( -2.300 -1.328 0.375) 2.682 17.177 ( -1.663 -0.960 -0.315) 1.946 17.788 ( 16.371 9.452 13.209) 23.061 18.200 ( 31.650 18.273 26.236) 44.988 20.514 ( -9.901 -5.716 -7.716) 13.793 21.311 ( -17.530 -10.121 3.699) 20.577 22.197 ( 3.224 1.861 -14.748) 15.211 22.604 ( -3.874 -2.236 5.064) 6.756 23.941 ( 10.479 6.050 -58.047) 59.295 27.182 ( -18.200 -10.508 68.032) 71.204 28.404 ( -6.884 -3.975 0.437) 7.961 28.443 ( -8.091 -4.671 -0.437) 9.352 30.301 ( -27.231 -15.722 -27.116) 41.521 31.683 ( -7.415 -4.281 11.682) 14.484 32.357 ( -20.794 -12.005 -5.985) 24.745======================= Grid point 427 (51/132) =======================q-point: ( 0.30 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.666 ( -7.105 -4.102 40.707) 41.526 6.277 ( 3.990 2.304 3.567) 5.827 8.081 ( 36.306 20.961 12.952) 43.878 9.284 ( 53.518 30.898 0.513) 61.799 9.646 ( 24.599 14.202 -28.831) 40.472 11.404 ( 14.803 8.546 -31.164) 35.543 11.620 ( 31.796 18.358 28.723) 46.616 13.260 ( 32.932 19.013 -15.409) 41.030 13.725 ( 37.554 21.682 15.467) 46.040 14.908 ( 8.668 5.004 -10.621) 14.593 15.389 ( 4.026 2.325 6.381) 7.895 15.806 ( 10.989 6.345 -3.620) 13.195 15.948 ( 50.660 29.249 10.503) 59.433 17.043 ( -6.185 -3.571 0.704) 7.176 17.098 ( -4.772 -2.755 -0.525) 5.535 17.520 ( 32.994 19.049 -4.212) 38.331 17.829 ( 29.771 17.189 6.262) 34.943 18.279 ( 38.186 22.047 6.839) 44.620 19.293 ( 52.233 30.157 -0.262) 60.314 20.323 ( -4.594 -2.653 -9.088) 10.523 21.021 ( -4.750 -2.742 8.579) 10.183 22.059 ( -8.834 -5.100 -15.993) 18.969 22.697 ( 7.552 4.360 10.379) 13.556 24.225 ( 12.844 7.416 -45.146) 47.519 26.788 ( -15.331 -8.852 59.523) 62.100 28.235 ( -7.422 -4.285 0.092) 8.570 28.243 ( -8.762 -5.059 -0.092) 10.118 29.668 ( -26.250 -15.156 -25.001) 39.292 31.403 ( -16.477 -9.513 7.116) 20.313 31.799 ( -26.664 -15.394 -2.940) 30.929======================= Grid point 428 (52/132) =======================q-point: ( 0.35 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.456 ( -10.444 -6.030 52.053) 53.432 6.525 ( 16.020 9.249 -1.153) 18.534 8.822 ( 26.684 15.406 10.960) 32.703 10.150 ( 18.237 10.529 -23.317) 31.419 10.491 ( 48.644 28.085 -7.390) 56.653 11.723 ( 12.492 7.212 -27.716) 31.245 12.336 ( 28.680 16.558 25.291) 41.670 14.007 ( 30.021 17.333 -18.724) 39.399 14.303 ( 14.561 8.407 9.199) 19.165 14.912 ( -5.480 -3.164 0.210) 6.332 15.491 ( 4.571 2.639 10.056) 11.357 16.056 ( 9.604 5.545 -4.744) 12.061 16.872 ( -7.975 -4.604 1.456) 9.323 16.970 ( -5.756 -3.323 -0.821) 6.697 17.136 ( 41.892 24.186 13.082) 50.110 17.507 ( -6.522 -3.765 22.214) 23.456 18.930 ( 22.382 12.922 -18.345) 31.693 19.049 ( 41.423 23.916 -12.870) 49.533 20.170 ( 14.283 8.246 -7.450) 18.097 20.616 ( 31.704 18.304 -4.730) 36.913 21.173 ( 18.848 10.882 10.122) 24.003 22.039 ( 13.130 7.580 -9.353) 17.814 22.885 ( 8.702 5.024 17.008) 19.754 24.535 ( 13.797 7.966 -34.976) 38.434 26.468 ( -11.669 -6.737 49.589) 51.387 28.039 ( -8.353 -4.823 0.274) 9.649 28.064 ( -7.059 -4.076 -0.274) 8.156 29.074 ( -24.317 -14.039 -23.910) 36.879 30.919 ( -24.373 -14.072 4.449) 28.493 31.113 ( -31.418 -18.139 -0.659) 36.285======================= Grid point 429 (53/132) =======================q-point: ( 0.40 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.207 ( -10.069 -5.813 61.505) 62.595 6.956 ( 18.965 10.949 -7.991) 23.311 9.333 ( 16.994 9.811 9.696) 21.888 10.503 ( 11.905 6.874 -19.679) 24.005 11.529 ( 38.628 22.302 -13.119) 46.493 11.991 ( 10.399 6.004 -20.392) 23.665 12.942 ( 22.352 12.905 22.894) 34.501 14.514 ( 4.794 2.768 5.112) 7.535 14.633 ( 22.474 12.975 -22.879) 34.596 14.737 ( -7.827 -4.519 4.684) 10.179 15.608 ( 5.736 3.312 13.677) 15.196 16.223 ( 3.906 2.255 -5.287) 6.949 16.690 ( -7.105 -4.102 2.841) 8.683 16.850 ( -3.903 -2.253 -1.212) 4.667 17.099 ( -16.755 -9.673 21.025) 28.572 18.003 ( 19.478 11.246 17.995) 28.804 19.112 ( 2.838 1.638 -33.720) 33.879 19.938 ( 28.679 16.558 -9.751) 34.522 20.581 ( 22.880 13.210 -6.623) 27.237 20.943 ( 2.884 1.665 -10.666) 11.174 21.868 ( 29.540 17.055 13.877) 36.825 22.729 ( 38.344 22.138 -5.996) 44.680 23.138 ( 13.815 7.976 26.925) 31.296 24.889 ( 16.563 9.563 -27.013) 33.098 26.268 ( -4.334 -2.502 37.342) 37.676 27.861 ( -6.601 -3.811 0.571) 7.643 27.913 ( -5.647 -3.261 -0.570) 6.546 28.532 ( -21.643 -12.496 -23.360) 34.209 30.267 ( -31.245 -18.040 4.075) 36.308 30.370 ( -29.957 -17.296 0.333) 34.593======================= Grid point 430 (54/132) =======================q-point: ( 0.45 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.012 ( -6.013 -3.472 68.756) 69.105 7.342 ( 12.565 7.254 -14.893) 20.792 9.626 ( 8.114 4.685 9.037) 13.018 10.711 ( 5.832 3.367 -17.750) 18.985 12.138 ( 8.929 5.155 -14.691) 17.948 12.307 ( 19.130 11.045 -13.710) 25.998 13.359 ( 12.590 7.269 21.523) 25.973 14.551 ( -1.154 -0.666 3.023) 3.304 14.623 ( -0.989 -0.571 2.253) 2.526 15.021 ( 10.172 5.873 -23.749) 26.495 15.777 ( 8.549 4.936 12.335) 15.799 16.225 ( -3.251 -1.877 -3.864) 5.387 16.552 ( -4.523 -2.611 4.379) 6.816 16.711 ( -14.406 -8.317 22.817) 28.237 16.801 ( -0.476 -0.275 -1.908) 1.986 18.205 ( 1.639 0.946 20.939) 21.025 19.160 ( 1.290 0.745 -38.563) 38.592 20.356 ( 6.997 4.040 -18.181) 19.895 21.066 ( 9.652 5.572 -3.862) 11.795 21.134 ( 19.795 11.429 -12.246) 25.931 22.334 ( 11.005 6.354 24.183) 27.318 23.272 ( 7.139 4.122 22.627) 24.082 23.727 ( 30.330 17.511 5.569) 35.462 25.271 ( 13.769 7.950 -21.273) 26.558 26.305 ( 7.144 4.124 22.685) 24.138 27.739 ( -3.659 -2.112 0.761) 4.293 27.807 ( -3.167 -1.828 -0.759) 3.735 28.088 ( -15.072 -8.702 -23.017) 28.856 29.543 ( -26.927 -15.546 6.577) 31.781 29.758 ( -20.975 -12.110 -0.507) 24.225======================= Grid point 431 (55/132) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 283Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.940 ( 0.000 0.000 71.580) 71.580 7.496 ( 0.000 0.000 -17.943) 17.943 9.721 ( 0.000 0.000 8.838) 8.838 10.779 ( 0.000 0.000 -17.158) 17.158 12.228 ( 0.000 0.000 -10.494) 10.494 12.552 ( 0.000 0.000 -14.191) 14.191 13.510 ( 0.000 0.000 21.078) 21.078 14.540 ( 0.000 0.000 1.123) 1.123 14.618 ( 0.000 0.000 -0.586) 0.586 15.132 ( 0.000 0.000 -21.483) 21.483 15.926 ( 0.000 0.000 7.216) 7.216 16.145 ( 0.000 0.000 -1.219) 1.219 16.494 ( 0.000 0.000 5.000) 5.000 16.522 ( 0.000 0.000 25.335) 25.335 16.801 ( 0.000 0.000 -2.284) 2.284 18.210 ( 0.000 0.000 20.347) 20.347 19.174 ( 0.000 0.000 -37.448) 37.448 20.409 ( 0.000 0.000 -20.405) 20.405 21.192 ( 0.000 0.000 -5.032) 5.032 21.414 ( 0.000 0.000 -20.203) 20.203 22.452 ( 0.000 0.000 38.202) 38.202 23.329 ( 0.000 0.000 27.660) 27.660 24.122 ( 0.000 0.000 2.078) 2.078 25.442 ( 0.000 0.000 -19.127) 19.127 26.446 ( 0.000 0.000 14.705) 14.705 27.695 ( 0.000 0.000 0.826) 0.826 27.769 ( 0.000 0.000 -0.823) 0.823 27.893 ( 0.000 0.000 -22.885) 22.885 29.186 ( 0.000 0.000 8.746) 8.746 29.489 ( 0.000 0.000 -1.227) 1.227======================= Grid point 443 (56/132) =======================q-point: ( 0.05 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.131 ( 32.482 56.261 40.267) 76.432 3.190 ( 31.052 53.784 34.044) 70.823 5.181 ( 53.081 91.939 60.753) 122.317 6.382 ( -2.660 -4.608 -50.660) 50.939 6.639 ( 13.817 23.932 -57.282) 63.600 8.598 ( -31.031 -53.748 97.358) 115.457 8.769 ( 15.182 26.296 24.984) 39.322 8.855 ( 7.551 13.079 48.050) 50.367 10.297 ( 24.297 42.084 -45.128) 66.318 10.607 ( 9.537 16.519 -12.388) 22.745 11.276 ( 23.901 41.398 -3.565) 47.935 12.445 ( 0.928 1.607 -12.094) 12.235 15.628 ( -3.552 -6.153 0.781) 7.148 15.676 ( -2.581 -4.470 -0.357) 5.174 15.777 ( -0.069 -0.120 3.909) 3.911 15.962 ( 1.050 1.818 -1.931) 2.853 16.731 ( 7.715 13.363 1.017) 15.464 16.803 ( 9.385 16.256 -0.637) 18.781 17.144 ( 14.050 24.336 28.792) 40.232 20.281 ( 31.881 55.219 -68.353) 93.476 20.565 ( 9.577 16.588 9.953) 21.586 21.640 ( -1.900 -3.290 -26.128) 26.403 24.890 ( -30.984 -53.665 -0.254) 61.968 24.898 ( -25.763 -44.623 -1.763) 51.556 28.624 ( -8.208 -14.216 75.364) 77.131 28.817 ( -1.349 -2.336 0.159) 2.702 28.838 ( -1.317 -2.281 2.590) 3.694 30.199 ( 21.233 36.776 2.615) 42.546 32.735 ( -11.652 -20.182 -7.823) 24.582 33.100 ( 3.373 5.842 -30.586) 31.321======================= Grid point 444 (57/132) =======================q-point: ( 0.10 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.334 ( 37.960 50.073 18.495) 65.501 4.389 ( 42.488 51.506 21.286) 70.080 6.087 ( -13.241 -16.556 -26.669) 34.069 6.929 ( 31.292 28.115 31.749) 52.704 7.313 ( 37.033 49.146 -29.515) 68.249 7.905 ( 5.316 4.725 62.089) 62.495 9.325 ( 17.225 27.512 40.268) 51.721 9.540 ( 32.766 32.554 11.504) 47.600 10.951 ( 17.177 18.099 -16.084) 29.687 11.396 ( 38.632 46.635 -44.873) 75.371 12.325 ( 41.769 46.240 -4.319) 62.462 12.733 ( 21.629 21.764 -17.816) 35.480 15.486 ( -9.253 3.472 1.168) 9.951 15.556 ( -10.328 8.114 -0.545) 13.145 15.890 ( 12.514 -1.702 4.736) 13.488 16.161 ( 21.577 -5.444 -2.769) 22.425 16.973 ( 5.946 9.639 1.679) 11.449 17.099 ( 4.827 16.508 -1.161) 17.238 17.572 ( 11.679 13.046 44.943) 48.233 20.908 ( 4.099 17.567 2.788) 18.253 21.097 ( 21.834 16.052 -10.196) 28.954 21.681 ( 7.230 7.147 -50.045) 51.068 23.818 ( -33.582 -39.558 -1.362) 51.908 24.198 ( -17.415 -20.501 -32.938) 42.527 28.265 ( -13.961 -16.800 78.616) 81.594 28.742 ( -4.337 -1.669 0.773) 4.711 28.783 ( -2.279 -3.274 0.382) 4.008 30.840 ( 16.496 18.396 -5.197) 25.249 32.251 ( -17.646 -20.542 -1.938) 27.149 33.089 ( -3.839 -5.439 -19.789) 20.879======================= Grid point 445 (58/132) =======================q-point: ( 0.15 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.136 ( -0.728 11.860 -1.952) 12.042 5.653 ( 39.746 51.730 18.559) 67.825 5.995 ( 25.198 5.410 -14.124) 29.389 6.938 ( -2.268 -7.767 57.356) 57.924 8.111 ( 19.670 38.820 -39.823) 58.989 9.404 ( 69.425 51.994 32.614) 92.665 10.014 ( 23.902 40.465 34.220) 58.136 10.419 ( 34.405 25.376 -2.465) 42.822 11.503 ( 23.151 21.443 -13.881) 34.474 12.613 ( 44.981 45.027 -47.072) 79.162 13.479 ( 40.253 35.499 -0.526) 53.673 13.768 ( 56.316 39.101 -13.720) 69.919 15.403 ( -6.788 8.630 1.924) 11.147 15.529 ( -5.406 15.111 -1.289) 16.100 16.175 ( 19.165 4.314 5.805) 20.484 16.584 ( 30.447 -1.972 -3.826) 30.750 17.125 ( 2.820 4.809 1.999) 5.922 17.307 ( 1.009 15.350 -2.133) 15.531 17.824 ( 6.971 5.958 52.699) 53.491 20.925 ( -11.366 5.388 0.567) 12.591 21.602 ( 20.119 10.494 -6.115) 23.501 21.871 ( -0.052 3.807 -23.898) 24.199 22.999 ( -19.594 -25.033 -1.429) 31.822 23.844 ( -6.569 -6.996 -58.534) 59.316 27.817 ( -16.711 -16.877 76.359) 79.968 28.635 ( -5.773 -1.817 0.757) 6.100 28.686 ( -4.895 -3.341 -0.269) 5.932 31.019 ( -6.792 -7.301 -25.424) 27.310 31.834 ( -7.908 -8.848 14.792) 18.964 32.880 ( -9.626 -11.607 -12.449) 19.555======================= Grid point 446 (59/132) =======================q-point: ( 0.20 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.957 ( -12.482 -0.931 14.792) 19.377 6.238 ( 5.815 -20.014 -5.948) 21.674 6.849 ( 33.072 51.854 18.206) 64.140 7.459 ( 42.679 33.199 31.705) 62.681 8.869 ( 19.843 39.221 -35.553) 56.533 10.578 ( 30.656 28.400 27.009) 49.758 10.807 ( 19.743 20.011 -17.358) 33.038 11.719 ( 64.391 50.354 23.787) 85.132 12.202 ( 28.661 26.947 -12.590) 41.305 13.822 ( 43.113 35.194 -32.656) 64.528 14.473 ( 37.697 17.826 3.635) 41.858 15.137 ( 49.416 20.046 -14.525) 55.270 15.445 ( -0.093 16.974 4.354) 17.524 15.753 ( 12.212 34.475 -6.701) 37.183 16.714 ( 30.851 17.563 6.915) 36.167 17.084 ( 16.708 0.981 -2.116) 16.870 17.177 ( 0.968 2.054 2.704) 3.531 17.551 ( 15.984 14.642 -2.872) 21.866 18.000 ( 9.492 7.796 48.502) 50.033 20.721 ( -14.982 2.268 -6.905) 16.652 21.585 ( -20.816 -4.277 -1.121) 21.280 22.054 ( 14.916 3.480 -8.698) 17.614 22.612 ( -5.093 -14.069 1.106) 15.003 23.836 ( 6.628 3.391 -63.795) 64.228 27.356 ( -16.476 -15.514 71.068) 74.584 28.502 ( -7.168 -1.829 0.559) 7.419 28.544 ( -7.364 -3.217 -0.362) 8.044 30.556 ( -22.720 -20.742 -28.201) 41.734 31.720 ( -3.009 -5.246 14.089) 15.332 32.520 ( -14.861 -16.589 -7.547) 23.517======================= Grid point 447 (60/132) =======================q-point: ( 0.25 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.764 ( -8.895 -2.161 31.619) 32.917 6.143 ( 6.772 -11.952 2.973) 14.055 7.881 ( 26.400 46.854 14.744) 55.764 8.651 ( 50.841 31.492 7.801) 60.311 9.577 ( 15.937 37.525 -28.152) 49.545 11.230 ( 15.668 10.973 -28.361) 34.208 11.390 ( 25.019 31.774 23.771) 46.910 12.916 ( 31.970 24.032 -9.470) 41.101 13.284 ( 45.142 38.804 14.201) 61.199 14.686 ( 22.468 9.931 -14.881) 28.720 15.202 ( 33.372 9.177 1.874) 34.662 15.529 ( 7.919 13.376 4.531) 16.191 15.815 ( 11.768 22.883 2.012) 25.810 16.913 ( 50.658 34.509 -17.633) 63.781 17.068 ( -2.021 -5.556 2.372) 6.370 17.174 ( 1.086 5.347 -4.973) 7.382 17.639 ( 27.043 24.026 12.633) 38.317 17.947 ( 19.363 13.548 21.125) 31.697 18.695 ( 47.227 27.758 7.121) 55.241 20.475 ( -13.744 0.922 -10.845) 17.531 21.188 ( -16.626 -2.190 5.938) 17.790 22.116 ( -4.694 -8.954 -16.002) 18.928 22.571 ( 9.057 -0.596 9.089) 12.845 24.070 ( 12.377 6.349 -51.552) 53.396 26.934 ( -14.382 -13.781 63.619) 66.665 28.347 ( -8.317 -1.631 0.262) 8.480 28.366 ( -9.219 -2.744 -0.196) 9.620 29.921 ( -23.732 -21.506 -25.488) 40.931 31.523 ( -10.100 -11.796 8.625) 17.764 32.021 ( -20.056 -21.108 -4.113) 29.406======================= Grid point 448 (61/132) =======================q-point: ( 0.30 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.554 ( -9.540 -7.831 45.344) 46.994 6.297 ( 16.593 1.402 0.088) 16.652 8.715 ( 17.884 40.144 12.275) 45.630 9.798 ( 44.162 22.466 -7.807) 50.160 10.214 ( 16.132 37.439 -16.615) 44.023 11.572 ( 13.054 7.916 -29.730) 33.421 12.145 ( 22.765 32.322 21.631) 45.065 13.674 ( 28.620 19.757 -12.851) 37.076 14.140 ( 19.935 19.813 6.452) 28.837 14.896 ( 3.457 -3.148 0.538) 4.707 15.527 ( 1.046 10.805 4.969) 11.939 15.960 ( 13.929 11.115 -3.692) 18.198 16.613 ( 43.113 31.797 11.139) 54.716 16.890 ( -6.524 -10.898 4.188) 13.374 17.039 ( -4.765 -2.541 -1.665) 5.651 17.658 ( -2.249 4.942 20.129) 20.848 18.469 ( 48.589 36.286 -17.880) 63.224 18.761 ( 27.245 23.998 -1.764) 36.350 19.866 ( 43.254 24.484 -4.574) 49.913 20.346 ( 4.275 4.591 -6.477) 9.017 21.064 ( 2.797 6.137 7.431) 10.035 21.949 ( -0.049 -4.624 -12.826) 13.634 22.762 ( 10.025 2.521 13.781) 17.227 24.365 ( 13.614 6.300 -39.795) 42.529 26.574 ( -11.386 -12.113 54.571) 57.047 28.170 ( -9.868 -2.072 0.152) 10.085 28.182 ( -9.015 -0.827 -0.131) 9.054 29.301 ( -21.969 -21.026 -23.972) 38.722 31.123 ( -17.765 -18.145 5.204) 25.922 31.389 ( -24.953 -24.900 -1.583) 35.287======================= Grid point 449 (62/132) =======================q-point: ( 0.35 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.287 ( -9.065 -10.874 56.319) 58.071 6.702 ( 21.396 8.918 -5.804) 23.896 9.322 ( 9.028 32.577 10.609) 35.430 10.476 ( 11.765 21.205 -20.900) 32.014 11.059 ( 37.206 27.414 -5.274) 46.515 11.857 ( 11.321 5.945 -24.232) 27.398 12.828 ( 17.921 30.631 17.640) 39.631 14.267 ( 20.983 6.478 -6.483) 22.897 14.504 ( 7.931 6.150 -4.607) 11.043 14.880 ( -3.425 8.102 2.800) 9.231 15.645 ( 0.099 12.174 11.397) 16.676 16.238 ( 4.042 12.883 -5.243) 14.484 16.613 ( -6.972 -18.780 6.755) 21.141 16.877 ( -4.155 -4.942 -0.383) 6.468 17.430 ( -3.767 10.053 14.132) 17.748 17.802 ( 20.752 26.172 15.408) 36.784 19.139 ( 0.343 9.282 -22.578) 24.414 19.556 ( 36.278 23.242 -12.580) 44.884 20.326 ( 16.757 7.569 -5.137) 19.091 20.863 ( 13.317 5.811 -11.735) 18.677 21.469 ( 31.411 15.913 12.338) 37.310 22.261 ( 32.831 13.271 -6.526) 36.008 22.985 ( 11.642 5.285 22.032) 25.473 24.686 ( 15.792 6.778 -30.791) 35.263 26.301 ( -6.378 -9.579 43.685) 45.175 27.984 ( -9.423 -0.579 0.451) 9.451 28.023 ( -8.480 0.114 -0.429) 8.491 28.723 ( -19.504 -20.630 -23.155) 36.635 30.543 ( -24.156 -23.147 3.603) 33.649 30.657 ( -27.328 -26.272 0.126) 37.909======================= Grid point 450 (63/132) =======================q-point: ( 0.40 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.044 ( -5.631 -10.191 65.470) 66.497 7.158 ( 17.842 9.262 -13.173) 24.034 9.702 ( 0.916 25.407 9.617) 27.181 10.790 ( 0.829 20.468 -19.787) 28.481 11.881 ( 29.478 13.136 -7.388) 33.107 12.089 ( 9.710 3.737 -15.209) 18.427 13.380 ( 10.001 28.614 13.173) 33.051 14.521 ( 6.671 -0.326 3.865) 7.717 14.539 ( 1.901 -8.632 0.774) 8.873 15.053 ( 1.948 19.644 -18.003) 26.717 15.802 ( 1.917 15.847 14.306) 21.435 16.237 ( -5.076 -21.669 7.394) 23.452 16.381 ( -4.946 4.588 -0.195) 6.749 16.794 ( -0.914 -1.376 -0.363) 1.691 17.298 ( -20.598 19.879 11.697) 30.924 18.273 ( 3.197 16.011 18.805) 24.904 19.155 ( -1.650 1.317 -36.830) 36.890 20.205 ( 18.688 9.759 -10.219) 23.429 20.830 ( 24.526 10.539 -8.087) 27.893 20.977 ( 5.848 2.069 -9.417) 11.277 22.107 ( 21.626 5.986 16.957) 28.126 23.073 ( 28.299 10.366 1.604) 30.180 23.334 ( 25.009 11.420 23.256) 36.010 25.064 ( 18.058 7.232 -24.045) 30.929 26.196 ( 3.916 -4.792 30.053) 30.683 27.836 ( -7.580 1.281 0.624) 7.713 27.894 ( -6.738 1.369 -0.841) 6.927 28.212 ( -14.872 -18.810 -22.397) 32.812 29.818 ( -27.232 -25.449 4.885) 37.591 29.966 ( -22.086 -22.253 -0.075) 31.353======================= Grid point 451 (64/132) =======================q-point: ( 0.45 0.05 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.902 ( -0.006 -7.349 71.093) 71.472 7.456 ( 6.886 4.075 -18.711) 20.350 9.880 ( -6.389 19.637 9.164) 22.593 10.935 ( -6.154 17.692 -19.199) 26.823 12.206 ( 3.785 2.152 -11.612) 12.401 12.356 ( 14.001 -3.350 -2.709) 14.649 13.722 ( -3.621 24.857 9.652) 26.910 14.523 ( 3.029 -1.563 1.578) 3.757 14.571 ( 1.450 -3.056 0.232) 3.390 15.206 ( -1.390 8.844 -19.881) 21.803 15.933 ( 2.291 -19.379 12.733) 23.300 16.028 ( 3.995 8.639 14.369) 17.236 16.295 ( -10.509 6.164 -0.514) 12.194 16.796 ( -0.439 2.006 -0.824) 2.213 17.178 ( -20.805 29.483 9.629) 37.347 18.356 ( -7.113 13.466 19.690) 24.892 19.141 ( 1.206 -3.025 -37.903) 38.043 20.412 ( 1.592 2.250 -18.530) 18.734 21.123 ( 7.457 -0.278 -4.558) 8.744 21.307 ( 14.316 4.711 -17.438) 23.049 22.355 ( 7.895 -4.593 33.506) 34.729 23.315 ( 2.823 1.028 25.018) 25.197 23.949 ( 20.987 3.556 3.484) 21.570 25.375 ( 8.967 2.084 -20.248) 22.243 26.316 ( 10.701 -4.032 17.457) 20.869 27.742 ( -4.306 0.786 -2.104) 4.857 27.823 ( -3.080 2.302 -3.088) 4.932 27.875 ( -4.992 -9.341 -17.081) 20.098 29.217 ( -12.134 -15.710 7.726) 21.301 29.492 ( -7.962 -13.541 -1.095) 15.747======================= Grid point 464 (65/132) =======================q-point: ( 0.10 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.297 ( 22.936 39.727 -9.628) 46.872 5.442 ( 15.905 27.548 -0.077) 31.810 5.846 ( 10.026 17.366 8.809) 21.902 6.908 ( -3.568 -6.180 56.505) 56.953 8.169 ( 21.866 37.872 -34.043) 55.420 9.025 ( 44.077 76.344 34.237) 94.569 10.052 ( 26.109 45.222 38.911) 65.121 10.201 ( 17.819 30.863 -5.164) 36.010 11.401 ( 15.092 26.141 -17.060) 34.672 12.453 ( 32.242 55.845 -45.199) 78.747 13.360 ( 22.242 38.524 -9.762) 45.543 13.391 ( 32.436 56.181 -6.223) 65.170 15.579 ( 2.328 4.032 3.753) 5.980 15.768 ( 6.054 10.486 -1.202) 12.167 15.957 ( 6.491 11.244 2.320) 13.189 16.183 ( 6.694 11.594 -3.295) 13.787 17.128 ( 3.036 5.259 3.473) 6.995 17.383 ( 6.226 10.783 -2.269) 12.656 17.790 ( 4.888 8.466 52.516) 53.418 21.146 ( -0.460 -0.796 -1.166) 1.484 21.379 ( 11.491 19.903 -0.783) 22.995 21.899 ( 5.622 9.738 -32.896) 34.765 23.045 ( -19.952 -34.557 -0.230) 39.904 23.870 ( -6.303 -10.917 -55.952) 57.354 27.879 ( -11.941 -20.682 76.394) 80.040 28.690 ( -2.119 -3.670 -0.004) 4.238 28.708 ( -2.323 -4.024 1.109) 4.777 31.031 ( -1.986 -3.439 -22.310) 22.661 31.864 ( -8.097 -14.024 12.247) 20.303 32.901 ( -7.443 -12.892 -13.299) 19.961======================= Grid point 465 (66/132) =======================q-point: ( 0.15 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.249 ( -18.366 2.879 -0.581) 18.599 5.806 ( 15.541 -18.955 -9.443) 26.267 6.902 ( 31.421 62.569 20.593) 72.981 7.208 ( 25.332 33.107 45.527) 61.729 8.973 ( 20.479 44.298 -30.303) 57.445 10.341 ( 34.189 43.076 19.708) 58.420 10.730 ( 14.259 21.235 -18.808) 31.749 11.311 ( 48.569 65.599 33.932) 88.394 12.018 ( 23.252 28.850 -15.457) 40.149 13.580 ( 32.833 47.571 -33.624) 66.870 14.129 ( 24.411 26.380 -3.235) 36.087 14.558 ( 42.770 36.488 -12.008) 57.487 15.666 ( -1.923 15.812 6.997) 17.397 16.004 ( 1.257 30.390 -3.398) 30.605 16.395 ( 24.973 20.608 1.625) 32.418 16.666 ( 30.433 12.822 -4.189) 33.289 17.189 ( 0.463 1.759 4.974) 5.296 17.534 ( 2.188 5.765 -0.804) 6.219 17.948 ( 5.648 7.424 50.918) 51.765 21.021 ( -12.512 2.495 -9.719) 16.039 21.795 ( 15.991 8.910 -2.484) 18.473 21.900 ( -12.625 -1.418 -6.126) 14.105 22.503 ( -6.083 -22.808 0.800) 23.619 23.783 ( 2.129 1.237 -66.573) 66.619 27.445 ( -13.704 -19.390 72.335) 76.133 28.595 ( -4.965 -2.275 0.366) 5.474 28.614 ( -4.020 -3.741 0.263) 5.498 30.679 ( -17.282 -24.038 -28.546) 41.126 31.709 ( -2.585 -5.571 15.252) 16.443 32.568 ( -11.879 -19.010 -8.446) 23.954======================= Grid point 466 (67/132) =======================q-point: ( 0.20 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.971 ( -16.165 0.630 18.647) 24.687 5.797 ( 13.081 -19.670 1.369) 23.662 8.024 ( 23.506 61.311 16.616) 67.732 8.205 ( 39.690 39.532 18.705) 59.059 9.751 ( 15.529 45.274 -22.808) 53.020 11.103 ( 13.342 15.851 -26.237) 33.431 11.303 ( 26.087 36.319 12.333) 46.386 12.655 ( 29.266 36.273 0.957) 46.617 12.945 ( 45.149 48.643 9.378) 67.027 14.438 ( 20.832 19.206 -9.816) 29.987 14.754 ( 27.369 17.809 -6.780) 33.349 15.439 ( 23.041 13.293 -12.600) 29.434 15.900 ( 6.276 25.929 11.505) 29.053 16.591 ( 26.104 39.419 -8.816) 48.093 17.025 ( 5.514 3.355 -1.116) 6.550 17.182 ( 11.092 12.476 -4.614) 17.319 17.418 ( 22.458 26.165 7.774) 35.346 17.736 ( 19.560 8.733 13.625) 25.387 18.284 ( 25.060 19.957 27.347) 42.121 20.784 ( -16.863 2.603 -14.292) 22.257 21.520 ( -21.892 -2.457 2.306) 22.150 22.028 ( 4.219 -7.882 -10.294) 13.634 22.373 ( 9.190 -5.966 8.109) 13.631 23.936 ( 9.415 6.170 -58.055) 59.136 27.016 ( -13.226 -17.669 66.287) 69.865 28.472 ( -6.843 -1.577 0.540) 7.043 28.489 ( -6.737 -1.960 -0.291) 7.022 30.070 ( -20.956 -26.600 -25.545) 42.417 31.543 ( -6.984 -12.561 9.517) 17.238 32.099 ( -16.097 -24.772 -4.891) 29.945======================= Grid point 467 (68/132) =======================q-point: ( 0.25 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.664 ( -13.557 -9.376 35.863) 39.470 5.969 ( 19.316 -2.418 -0.601) 19.476 8.954 ( 13.668 56.390 13.300) 59.528 9.303 ( 41.336 33.296 4.778) 53.292 10.432 ( 10.371 44.227 -14.789) 47.773 11.441 ( 11.637 9.939 -31.101) 34.662 12.124 ( 22.497 38.686 10.711) 46.016 13.411 ( 25.174 23.448 -8.599) 35.461 14.022 ( 23.118 31.587 4.692) 39.423 14.774 ( 10.581 4.712 8.507) 14.371 15.484 ( 25.205 17.657 -8.703) 31.982 15.799 ( 12.118 14.632 -0.082) 18.999 16.414 ( 18.588 32.153 10.465) 38.585 16.929 ( -7.309 -5.607 4.255) 10.147 17.075 ( -1.440 -3.059 -1.142) 3.568 17.577 ( 18.544 13.678 4.755) 23.528 18.137 ( 29.845 34.254 -0.517) 45.435 18.500 ( 34.832 34.055 4.659) 48.936 19.276 ( 50.273 28.582 3.132) 57.914 20.507 ( -15.420 1.139 -14.544) 21.228 21.199 ( -11.952 2.616 4.219) 12.942 21.900 ( -2.069 -10.724 -13.009) 16.986 22.580 ( 12.691 1.624 13.091) 18.305 24.194 ( 12.252 5.812 -45.219) 47.209 26.628 ( -11.219 -16.164 58.439) 61.663 28.322 ( -8.604 -0.943 0.464) 8.668 28.345 ( -8.646 0.559 -0.413) 8.674 29.431 ( -20.521 -26.608 -23.528) 41.020 31.195 ( -13.373 -20.606 5.540) 25.182 31.501 ( -20.112 -29.844 -2.259) 36.059======================= Grid point 468 (69/132) =======================q-point: ( 0.30 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.323 ( -10.471 -14.982 49.303) 52.582 6.391 ( 23.459 8.575 -5.754) 25.632 9.641 ( 3.635 48.729 11.198) 50.131 10.280 ( 33.778 25.273 -7.319) 42.816 11.039 ( 9.711 42.538 -6.000) 44.043 11.726 ( 10.875 7.298 -27.423) 30.389 12.864 ( 18.042 36.109 5.928) 40.799 14.001 ( 19.934 12.743 -6.350) 24.496 14.407 ( 6.180 1.033 2.094) 6.606 15.035 ( 3.255 22.629 4.968) 23.395 15.792 ( 0.738 14.265 6.884) 15.856 16.279 ( 13.205 20.481 -5.067) 24.890 16.629 ( -11.415 -11.399 3.374) 16.481 16.908 ( -3.805 -1.817 2.686) 4.999 17.290 ( 26.284 23.732 6.699) 36.041 17.861 ( 7.581 16.780 20.595) 27.626 19.109 ( 28.233 22.016 -10.969) 37.445 19.285 ( 20.445 30.429 -13.101) 38.930 20.190 ( 8.473 6.557 -8.545) 13.704 20.523 ( 30.349 12.025 -3.990) 32.888 21.231 ( 9.423 9.403 4.051) 13.915 21.908 ( 14.928 1.044 -9.026) 17.476 22.824 ( 12.180 4.180 18.902) 22.872 24.478 ( 14.133 4.743 -34.857) 37.911 26.302 ( -7.743 -14.402 48.709) 51.380 28.159 ( -9.588 0.952 0.470) 9.647 28.200 ( -9.476 2.363 -0.427) 9.776 28.813 ( -18.621 -27.008 -22.347) 39.694 30.663 ( -19.121 -27.037 3.280) 33.278 30.796 ( -23.015 -32.961 -0.360) 40.203======================= Grid point 469 (70/132) =======================q-point: ( 0.35 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.013 ( -6.311 -15.839 60.926) 63.267 6.910 ( 21.982 11.847 -13.221) 28.255 10.081 ( -4.602 40.306 9.943) 41.769 10.937 ( 13.199 22.131 -18.506) 31.724 11.662 ( 15.880 33.366 2.076) 37.010 11.972 ( 9.425 5.763 -19.052) 22.023 13.486 ( 13.878 30.835 0.601) 33.819 14.330 ( 9.456 -3.913 -5.260) 11.507 14.447 ( 4.045 0.138 14.784) 15.328 15.271 ( -2.826 18.915 -11.695) 22.417 15.958 ( 0.478 16.995 17.960) 24.730 16.257 ( -15.490 -8.475 1.760) 17.745 16.589 ( -3.029 16.923 -3.967) 17.643 16.849 ( -2.356 8.023 2.176) 8.640 17.669 ( 0.367 13.035 6.994) 14.797 18.356 ( 12.175 27.275 14.902) 33.380 19.294 ( -8.685 5.616 -26.197) 28.165 19.948 ( 20.745 14.240 -3.215) 25.366 20.486 ( 24.431 8.354 -6.991) 26.750 20.921 ( 4.449 1.443 -14.656) 15.384 21.723 ( 27.855 7.643 12.450) 31.453 22.523 ( 41.044 11.186 -5.735) 42.926 23.113 ( 14.195 7.401 26.052) 30.577 24.803 ( 17.731 4.416 -26.966) 32.574 26.087 ( -0.932 -11.107 36.435) 38.101 28.014 ( -9.213 3.388 0.646) 9.838 28.062 ( -9.503 2.973 -1.131) 10.021 28.238 ( -14.690 -26.400 -20.927) 36.752 29.974 ( -23.936 -32.339 3.377) 40.375 30.076 ( -20.739 -30.203 0.025) 36.638======================= Grid point 470 (71/132) =======================q-point: ( 0.40 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.797 ( -0.658 -13.899 69.702) 71.077 7.342 ( 13.299 9.000 -20.654) 26.162 10.316 ( -11.034 33.683 9.311) 36.647 11.241 ( -1.632 20.114 -23.179) 30.732 12.143 ( 7.683 8.038 -11.942) 16.318 12.196 ( 7.653 15.808 8.709) 19.604 13.967 ( 7.322 24.433 -5.395) 26.071 14.359 ( 7.930 -8.466 2.049) 11.779 14.558 ( 1.975 5.091 10.329) 11.684 15.262 ( -5.398 -7.721 -6.415) 11.398 15.888 ( -12.821 2.095 1.327) 13.059 16.232 ( -0.934 23.270 11.278) 25.876 16.563 ( -10.973 9.041 3.430) 14.625 16.964 ( -6.138 22.002 -0.892) 22.860 17.758 ( -10.631 24.217 5.068) 26.929 18.641 ( -4.022 18.414 13.837) 23.382 19.145 ( -7.606 -1.329 -32.436) 33.342 20.351 ( 11.425 5.093 -8.328) 15.027 20.939 ( 13.243 -0.681 -4.151) 13.895 21.066 ( 15.853 6.657 -16.548) 23.864 22.100 ( 13.943 -6.933 24.138) 28.725 23.197 ( 17.177 3.612 8.467) 19.488 23.530 ( 27.028 6.060 16.189) 32.083 25.164 ( 17.147 1.986 -22.398) 28.278 26.066 ( 8.985 -8.135 23.228) 26.200 27.741 ( -7.797 -23.304 -20.426) 31.954 27.918 ( -6.877 4.928 0.501) 8.475 27.982 ( -6.716 4.467 -0.691) 8.096 29.270 ( -18.022 -27.371 5.529) 33.234 29.484 ( -12.796 -24.426 -0.883) 27.588======================= Grid point 471 (72/132) =======================q-point: ( 0.45 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.719 ( 6.010 -10.409 73.072) 74.054 7.512 ( -0.908 1.572 -23.944) 24.012 10.389 ( -16.913 29.293 9.115) 35.032 11.324 ( -9.408 16.295 -24.390) 30.804 12.236 ( -0.602 1.042 -9.756) 9.830 12.363 ( -5.106 8.843 13.236) 16.717 14.151 ( -6.677 11.565 -3.972) 13.932 14.443 ( 4.089 -7.083 -2.573) 8.574 14.626 ( -6.518 11.289 -0.816) 13.061 15.076 ( 12.131 -21.012 12.973) 27.513 15.798 ( -8.303 14.382 -6.947) 18.001 16.428 ( -3.952 6.845 4.828) 9.262 16.433 ( -13.368 23.153 11.625) 29.153 17.024 ( -12.670 21.946 -1.346) 25.376 17.789 ( -16.871 29.221 4.373) 34.024 18.686 ( -8.796 15.235 14.025) 22.498 19.063 ( 0.845 -1.464 -33.307) 33.350 20.455 ( -0.907 1.572 -14.656) 14.768 21.047 ( 4.127 -7.148 -4.263) 9.290 21.313 ( 2.353 -4.075 -21.396) 21.907 22.156 ( 8.142 -14.102 38.632) 41.923 23.330 ( -0.062 0.108 19.583) 19.584 23.862 ( 6.746 -11.684 5.635) 14.621 25.342 ( 3.437 -5.953 -21.182) 22.270 26.137 ( 7.258 -12.571 16.899) 22.277 27.535 ( 9.103 -15.767 -20.837) 27.670 27.881 ( -3.925 6.798 1.122) 7.930 27.950 ( -4.110 7.118 -0.626) 8.244 28.936 ( 6.617 -11.460 7.286) 15.107 29.228 ( 6.931 -12.006 -1.531) 13.947======================= Grid point 486 (73/132) =======================q-point: ( 0.15 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.328 ( -12.179 -21.095 14.402) 28.297 5.360 ( 2.857 4.948 -1.068) 5.813 8.049 ( 26.619 46.105 22.820) 57.923 8.168 ( 34.817 60.304 17.813) 71.876 9.854 ( 23.799 41.221 -17.431) 50.690 11.086 ( 9.035 15.650 -30.297) 35.277 11.229 ( 25.370 43.942 8.411) 51.432 12.645 ( 18.707 32.402 -16.719) 40.980 12.723 ( 39.864 69.046 30.888) 85.502 14.335 ( 10.928 18.927 0.345) 21.858 14.655 ( 18.902 32.740 -20.071) 42.802 15.216 ( 16.357 28.332 -16.622) 36.695 16.009 ( 10.814 18.730 15.622) 26.679 16.618 ( 15.707 27.205 -3.356) 31.593 17.026 ( 4.144 7.177 -4.823) 9.589 17.049 ( 23.077 39.971 -6.259) 46.576 17.392 ( 18.927 32.783 5.269) 38.220 17.560 ( -0.008 -0.013 9.457) 9.457 18.181 ( 9.995 17.311 37.366) 42.377 20.985 ( -3.630 -6.287 -18.227) 19.619 21.780 ( -7.091 -12.281 -0.042) 14.181 21.899 ( -1.582 -2.739 -4.751) 5.708 22.209 ( 0.272 0.470 8.596) 8.613 23.882 ( 4.547 7.875 -61.011) 61.684 27.043 ( -11.468 -19.863 67.189) 70.996 28.529 ( -2.556 -4.428 0.855) 5.184 28.541 ( -1.912 -3.312 -0.502) 3.857 30.119 ( -17.287 -29.941 -25.485) 42.951 31.537 ( -7.020 -12.159 9.795) 17.119 32.110 ( -14.964 -25.919 -5.161) 30.370======================= Grid point 487 (74/132) =======================q-point: ( 0.20 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.827 ( -17.997 -17.048 28.344) 37.655 5.634 ( 17.490 6.372 -1.071) 18.645 9.007 ( 30.787 40.684 9.072) 51.820 9.303 ( 22.925 61.009 15.966) 67.101 10.625 ( 17.562 39.013 -5.242) 43.103 11.379 ( 8.381 12.404 -32.933) 36.176 12.116 ( 24.613 42.170 -2.504) 48.891 13.277 ( 18.943 25.614 -17.040) 36.128 13.997 ( 26.948 51.297 19.621) 61.177 14.568 ( 14.583 1.603 16.263) 21.902 15.340 ( 16.907 34.681 -15.702) 41.655 15.706 ( 15.887 12.568 -13.447) 24.314 16.462 ( 13.017 27.465 16.399) 34.536 17.000 ( 0.223 1.943 0.515) 2.022 17.026 ( 2.413 2.489 1.039) 3.619 17.492 ( 4.780 9.252 5.133) 11.610 18.021 ( 26.639 39.607 -0.160) 47.733 18.297 ( 29.970 41.126 2.711) 50.959 18.792 ( 34.488 29.761 15.339) 48.068 20.780 ( -13.041 -3.729 -20.341) 24.448 21.458 ( -15.092 -4.258 1.204) 15.728 21.792 ( 0.462 -11.391 -9.627) 14.921 22.391 ( 10.858 5.796 14.452) 18.982 24.076 ( 8.065 7.367 -49.558) 50.748 26.647 ( -11.104 -18.422 60.595) 64.300 28.429 ( -4.795 -2.314 0.835) 5.389 28.465 ( -4.359 -0.882 -0.817) 4.522 29.490 ( -19.044 -30.160 -22.981) 42.431 31.200 ( -12.031 -21.197 5.560) 24.999 31.520 ( -18.511 -31.986 -2.589) 37.047======================= Grid point 488 (75/132) =======================q-point: ( 0.25 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.361 ( -13.638 -19.492 42.372) 48.594 6.089 ( 21.998 13.603 -6.025) 26.556 9.910 ( 26.644 34.205 -1.239) 43.375 10.194 ( 11.134 56.073 14.925) 59.084 11.286 ( 13.896 37.759 2.549) 40.315 11.636 ( 8.408 9.269 -31.392) 33.794 12.914 ( 18.354 38.579 -9.973) 43.871 13.802 ( 18.200 11.914 -15.972) 26.987 14.398 ( -1.589 9.387 17.899) 20.273 15.164 ( 17.872 31.538 13.554) 38.701 15.847 ( 8.208 14.717 -4.025) 17.326 16.180 ( 21.188 25.574 -4.236) 33.480 16.728 ( -6.158 -0.707 -2.725) 6.770 16.969 ( -1.775 -1.884 -3.653) 4.477 17.228 ( 10.746 30.164 15.366) 35.517 17.770 ( 16.202 9.899 20.742) 28.120 18.902 ( 25.729 36.862 -9.964) 46.044 19.180 ( 26.487 31.600 -2.069) 41.284 19.825 ( 43.972 24.718 1.810) 50.476 20.487 ( -13.956 -3.751 -16.224) 21.726 21.272 ( -4.038 4.327 0.894) 5.986 21.730 ( 4.255 -5.108 -11.748) 13.499 22.654 ( 12.151 6.076 18.677) 23.095 24.302 ( 10.579 4.726 -38.588) 40.290 26.288 ( -8.959 -16.912 52.062) 55.468 28.316 ( -6.781 0.365 0.785) 6.836 28.372 ( -6.680 1.780 -1.009) 6.987 28.845 ( -18.790 -30.812 -21.119) 41.815 30.689 ( -16.791 -28.856 2.820) 33.504 30.819 ( -20.791 -36.826 -0.643) 42.294======================= Grid point 489 (76/132) =======================q-point: ( 0.30 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.960 ( -8.774 -20.048 55.922) 60.051 6.650 ( 23.020 16.576 -13.834) 31.560 10.555 ( 5.341 35.808 -1.155) 36.222 10.884 ( 13.209 37.598 4.833) 40.142 11.846 ( 7.386 16.451 -25.673) 31.373 11.913 ( 11.509 29.705 6.956) 32.608 13.522 ( 12.994 26.569 -12.696) 32.186 14.112 ( 10.754 -3.992 -8.307) 14.163 14.468 ( 0.104 12.063 23.309) 26.246 15.499 ( -4.707 11.181 -7.584) 14.306 16.134 ( 4.910 24.694 19.821) 32.043 16.491 ( -14.267 -1.338 -8.627) 16.726 16.766 ( 8.128 23.227 -8.825) 26.143 17.023 ( 0.987 20.785 2.761) 20.991 17.641 ( 10.441 12.472 7.415) 17.876 18.347 ( 22.961 28.003 20.311) 41.520 19.442 ( 3.652 13.427 -12.503) 18.706 19.870 ( 13.797 22.943 -10.034) 28.591 20.222 ( 5.060 -0.911 -5.347) 7.418 20.730 ( 24.974 7.456 -8.064) 27.282 21.415 ( 12.731 7.755 2.835) 15.174 21.983 ( 27.382 5.522 -7.117) 28.826 22.951 ( 13.316 8.560 22.362) 27.398 24.550 ( 14.008 2.062 -29.367) 32.602 26.005 ( -4.475 -14.230 40.815) 43.456 28.195 ( -11.472 -12.313 -8.882) 19.029 28.217 ( -12.817 -16.508 -10.393) 23.341 28.270 ( -8.771 4.182 -0.656) 9.739 30.017 ( -21.569 -36.821 2.137) 42.726 30.089 ( -18.867 -35.205 -0.010) 39.941======================= Grid point 490 (77/132) =======================q-point: ( 0.35 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.657 ( -2.845 -18.718 67.772) 70.366 7.185 ( 17.844 14.924 -22.852) 32.609 10.878 ( -8.354 35.729 3.540) 36.863 11.353 ( 5.680 19.560 -11.524) 23.402 12.078 ( 8.292 7.386 -16.565) 19.942 12.436 ( 3.992 38.629 14.031) 41.292 13.931 ( 14.415 7.991 -6.554) 17.737 14.160 ( 3.171 -4.012 0.415) 5.131 14.602 ( 0.721 7.422 17.510) 19.032 15.353 ( -12.353 -5.394 -8.432) 15.899 16.262 ( -14.706 14.371 -13.076) 24.368 16.467 ( -0.645 23.619 14.510) 27.727 16.922 ( -9.595 23.880 5.694) 26.358 17.377 ( -2.830 37.668 -1.680) 37.811 17.942 ( 9.989 13.358 -0.064) 16.680 18.860 ( 1.574 19.458 5.203) 20.203 19.398 ( -14.265 7.502 -15.887) 22.631 20.123 ( 15.553 3.846 5.210) 16.848 20.629 ( 21.535 3.347 -5.118) 22.386 20.972 ( 4.382 4.776 -17.927) 19.063 21.750 ( 16.954 -5.338 15.355) 23.489 22.690 ( 39.489 5.169 -6.344) 40.328 23.284 ( 13.221 9.365 25.270) 30.018 24.844 ( 18.315 -1.183 -22.737) 29.220 25.865 ( 3.057 -10.333 27.342) 29.389 27.621 ( -11.557 -32.398 -18.952) 39.273 28.112 ( -7.908 5.953 0.742) 9.925 28.166 ( -8.464 5.061 -0.250) 9.865 29.278 ( -18.562 -34.691 3.501) 39.500 29.440 ( -14.723 -31.748 -0.856) 35.006======================= Grid point 491 (78/132) =======================q-point: ( 0.40 0.15 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.492 ( 4.203 -15.683 75.046) 76.782 7.523 ( 5.488 8.603 -29.549) 31.262 11.017 ( -15.735 33.963 5.565) 37.843 11.512 ( -1.275 7.730 -19.854) 21.344 12.256 ( 2.389 6.302 -6.066) 9.067 12.768 ( -10.200 34.873 17.561) 40.356 14.186 ( 10.691 -7.512 4.315) 13.760 14.218 ( 7.250 -0.360 -7.434) 10.390 14.632 ( 6.102 -10.080 22.155) 25.093 15.049 ( -17.794 5.295 -14.533) 23.577 16.214 ( -13.229 22.603 -19.001) 32.357 16.608 ( -6.397 16.764 13.176) 22.261 16.987 ( -15.874 31.905 13.517) 38.114 17.603 ( -15.333 37.741 -3.151) 40.858 18.253 ( 1.484 23.779 -1.461) 23.870 18.797 ( -8.384 -6.356 -19.179) 21.875 19.302 ( -12.731 19.970 3.282) 23.909 20.419 ( 9.268 1.213 -4.439) 10.348 20.847 ( 8.964 -8.131 -3.387) 12.568 21.181 ( 10.186 4.421 -19.481) 22.423 21.828 ( 8.629 -19.087 32.613) 38.760 23.237 ( 16.148 -1.305 -1.794) 16.299 23.573 ( 12.123 -0.022 20.563) 23.871 25.108 ( 14.577 -8.611 -20.048) 26.241 25.878 ( 7.746 -9.385 17.247) 21.108 27.208 ( 2.073 -27.695 -18.128) 33.165 28.044 ( -6.583 6.351 1.111) 9.215 28.098 ( -4.935 5.764 -0.188) 7.591 28.753 ( -4.901 -22.126 5.185) 23.248 29.010 ( -1.226 -21.075 -1.719) 21.181======================= Grid point 507 (79/132) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.388 ( -13.559 -23.486 39.349) 47.789 5.954 ( 12.842 22.242 -6.034) 26.383 9.821 ( 22.478 38.933 1.031) 44.967 10.459 ( 29.439 50.990 15.021) 60.764 11.314 ( 17.145 29.695 10.710) 35.923 11.615 ( 6.229 10.789 -33.594) 35.829 12.980 ( 23.876 41.355 -18.077) 51.060 13.664 ( 6.999 12.123 -21.277) 25.468 14.544 ( 2.219 3.843 24.878) 25.270 15.066 ( 26.082 45.176 19.531) 55.701 15.894 ( 4.453 7.713 -7.602) 11.710 16.103 ( 21.353 36.984 -9.267) 43.700 16.808 ( 4.614 7.992 -6.225) 11.131 16.923 ( -4.513 -7.816 -3.887) 9.827 17.371 ( 18.681 32.356 18.204) 41.560 17.619 ( 3.399 5.887 22.229) 23.245 18.902 ( 24.510 42.452 -10.740) 50.182 19.106 ( 20.176 34.945 -2.564) 40.433 19.486 ( 22.118 38.310 9.479) 45.241 20.622 ( -6.727 -11.652 -20.563) 24.574 21.358 ( -2.138 -3.704 0.942) 4.379 21.652 ( -1.257 -2.177 -12.679) 12.926 22.567 ( 6.442 11.157 19.448) 23.328 24.229 ( 4.350 7.534 -40.293) 41.221 26.280 ( -10.020 -17.355 53.256) 56.902 28.382 ( -1.361 -2.357 1.000) 2.899 28.443 ( -0.843 -1.460 -1.604) 2.327 28.854 ( -18.531 -32.096 -20.294) 42.254 30.688 ( -16.683 -28.895 2.546) 33.462 30.810 ( -21.632 -37.468 -0.694) 43.270======================= Grid point 508 (80/132) =======================q-point: ( 0.25 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.925 ( -11.827 -22.293 52.454) 58.209 6.474 ( 18.877 23.061 -14.182) 33.004 10.560 ( 20.444 30.255 -7.096) 37.198 11.300 ( 5.826 50.591 15.471) 53.223 11.813 ( 5.853 8.072 -29.657) 31.288 11.920 ( 22.188 24.646 16.675) 37.119 13.646 ( 2.832 24.980 -18.065) 30.957 13.878 ( 16.852 5.881 -13.994) 22.680 14.629 ( -1.474 11.153 24.279) 26.759 15.625 ( 0.004 4.716 -3.560) 5.909 16.220 ( 17.681 31.808 19.343) 41.213 16.628 ( -0.662 -1.731 -12.753) 12.887 16.890 ( 3.476 31.625 -13.023) 34.378 17.111 ( 16.512 20.021 -9.114) 27.505 17.699 ( -0.240 13.354 23.157) 26.732 18.156 ( 27.751 28.827 21.543) 45.445 19.561 ( 4.829 27.356 -7.500) 28.773 19.749 ( 23.075 23.507 -6.699) 33.614 20.254 ( 16.310 13.296 -2.308) 21.169 20.355 ( 2.282 -4.701 -10.298) 11.548 21.375 ( 2.728 5.402 1.270) 6.184 21.713 ( 8.990 3.721 -13.486) 16.630 22.837 ( 10.725 11.971 21.170) 26.580 24.382 ( 7.111 2.994 -30.939) 31.887 25.959 ( -7.199 -14.851 43.053) 46.108 28.173 ( -18.154 -33.366 -19.067) 42.502 28.334 ( -3.374 1.213 1.051) 3.736 28.422 ( -4.112 1.507 -0.835) 4.458 30.011 ( -22.666 -39.807 1.062) 45.821 30.051 ( -18.628 -35.591 0.233) 40.172======================= Grid point 509 (81/132) =======================q-point: ( 0.30 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.537 ( -6.866 -20.900 66.051) 69.618 7.041 ( 18.557 21.175 -24.409) 37.263 11.119 ( 11.395 23.479 -12.750) 29.046 11.701 ( -9.063 34.324 1.631) 35.538 12.022 ( 8.244 12.409 -10.699) 18.341 12.578 ( 20.666 26.675 19.257) 38.852 13.732 ( 5.813 -6.737 7.279) 11.496 14.219 ( 0.451 16.738 -14.674) 22.264 14.678 ( -3.353 3.342 19.498) 20.064 15.526 ( -8.149 0.986 -16.307) 18.256 16.519 ( -3.914 5.481 -18.219) 19.424 16.825 ( 0.695 37.918 18.773) 42.316 17.248 ( 4.661 26.286 -11.940) 29.244 17.728 ( 10.522 41.927 -0.199) 43.227 17.881 ( 6.768 12.373 11.557) 18.234 18.873 ( 20.200 21.318 12.386) 31.873 19.726 ( -9.678 15.599 -9.297) 20.577 20.030 ( -4.465 -3.346 1.192) 5.706 20.308 ( 19.254 6.468 -3.937) 20.689 20.854 ( 17.365 5.375 -7.436) 19.640 21.498 ( 6.490 -0.670 4.831) 8.118 22.107 ( 29.077 6.482 -8.503) 30.980 23.179 ( 12.394 14.022 19.875) 27.299 24.546 ( 11.615 -2.920 -22.260) 25.277 25.745 ( -1.703 -10.864 29.650) 31.623 27.512 ( -15.942 -35.762 -16.886) 42.640 28.289 ( -5.276 4.659 0.943) 7.102 28.360 ( -7.132 4.236 -0.650) 8.321 29.226 ( -18.877 -39.094 2.249) 43.471 29.368 ( -16.494 -35.463 -1.039) 39.125======================= Grid point 510 (82/132) =======================q-point: ( 0.35 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.275 ( 0.153 -18.332 77.001) 79.153 7.501 ( 10.683 15.633 -34.198) 39.090 11.450 ( 1.820 20.563 -12.728) 24.252 11.743 ( -12.901 16.652 -12.659) 24.576 12.305 ( 3.577 17.032 8.791) 19.498 13.143 ( 10.685 27.950 20.580) 36.317 13.807 ( 13.315 -10.639 18.140) 24.891 14.243 ( -6.212 2.192 -4.766) 8.131 14.531 ( -6.702 -12.216 19.682) 24.115 15.420 ( -12.906 14.587 -33.270) 38.552 16.599 ( -3.327 19.894 -24.571) 31.790 17.031 ( -13.343 29.336 11.032) 34.064 17.573 ( -7.095 37.191 10.756) 39.360 18.177 ( 9.974 13.697 -10.855) 20.123 18.235 ( -0.108 39.405 2.797) 39.504 19.043 ( -14.504 1.903 -10.804) 18.186 19.735 ( -8.795 23.809 11.063) 27.687 20.146 ( 16.803 -0.899 4.674) 17.464 20.578 ( 11.984 -7.669 -2.486) 14.443 21.096 ( 7.764 4.990 -8.201) 12.347 21.515 ( 4.084 -16.197 15.502) 22.789 22.723 ( 33.036 -2.616 -7.868) 34.061 23.508 ( 7.225 13.473 17.941) 23.571 24.716 ( 15.283 -12.216 -15.796) 25.147 25.687 ( 4.862 -6.652 16.094) 18.080 26.929 ( -7.378 -35.134 -14.779) 38.823 28.228 ( -9.034 2.035 0.610) 9.280 28.240 ( -6.932 1.965 0.442) 7.219 28.635 ( -8.581 -25.606 2.825) 27.153 28.837 ( -5.686 -25.273 -1.823) 25.969======================= Grid point 511 (83/132) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.181 ( 8.241 -14.274 81.322) 82.975 7.683 ( -3.971 6.879 -38.608) 39.417 11.634 ( -13.992 24.235 -8.555) 29.263 11.639 ( -3.957 6.855 -16.096) 17.937 12.429 ( -6.613 11.454 12.550) 18.233 13.416 ( -13.540 23.452 21.754) 34.736 13.931 ( 10.417 -18.044 16.888) 26.820 14.141 ( 2.056 -3.561 2.726) 4.933 14.358 ( 5.539 -9.593 20.181) 23.021 15.377 ( -12.771 22.120 -41.508) 48.737 16.697 ( -13.068 22.634 -28.364) 38.570 17.045 ( -14.709 25.477 12.553) 31.985 17.703 ( -21.010 36.390 17.344) 45.458 18.360 ( -14.170 24.543 -16.497) 32.792 18.546 ( -1.096 1.898 -11.439) 11.647 18.759 ( -10.651 18.449 0.232) 21.304 19.783 ( -14.348 24.851 11.246) 30.821 20.357 ( 5.137 -8.898 -0.760) 10.302 20.618 ( 7.856 -13.606 -0.440) 15.717 21.258 ( -1.795 3.110 -19.764) 20.088 21.382 ( 12.897 -22.338 37.321) 45.368 23.034 ( 10.920 -18.913 -8.652) 23.491 23.649 ( -4.712 8.161 17.180) 19.595 24.794 ( 12.211 -21.150 -12.926) 27.631 25.720 ( 3.547 -6.143 9.548) 11.895 26.652 ( 14.926 -25.853 -13.474) 32.752 28.121 ( 0.538 -0.932 1.438) 1.796 28.171 ( -0.122 0.212 -0.164) 0.294 28.438 ( 3.776 -6.541 3.267) 8.229 28.674 ( 6.315 -10.938 -2.174) 12.816======================= Grid point 529 (84/132) =======================q-point: ( 0.25 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.489 ( -11.516 -19.947 65.356) 69.296 6.983 ( 14.924 25.849 -24.943) 38.898 11.128 ( 14.495 25.107 -13.242) 31.872 11.941 ( 2.870 4.971 -34.519) 34.993 12.198 ( 18.955 32.831 19.885) 42.809 12.359 ( 13.560 23.487 27.823) 38.854 13.642 ( -3.758 -6.508 11.196) 13.484 14.323 ( 9.373 16.234 -17.386) 25.566 14.748 ( -0.210 -0.363 19.656) 19.660 15.612 ( 1.186 2.054 -20.694) 20.829 16.569 ( 0.105 0.182 -22.742) 22.743 17.007 ( 22.696 39.311 25.858) 52.241 17.365 ( 10.356 17.937 -27.968) 34.803 17.796 ( 19.863 34.405 -0.860) 39.736 17.953 ( 10.215 17.693 26.072) 33.123 18.756 ( 15.809 27.383 15.867) 35.377 19.985 ( 4.432 7.676 -8.443) 12.241 20.087 ( -3.404 -5.896 0.062) 6.808 20.122 ( 8.061 13.962 -7.025) 17.586 20.637 ( 9.391 16.265 -1.342) 18.829 21.446 ( 0.191 0.331 5.780) 5.793 21.888 ( 7.718 13.367 -13.912) 20.779 23.139 ( 10.164 17.604 17.727) 26.971 24.422 ( 0.493 0.853 -22.126) 22.148 25.705 ( -5.637 -9.764 30.521) 32.537 27.468 ( -20.283 -35.130 -16.076) 43.634 28.364 ( 0.905 1.567 1.128) 2.132 28.455 ( 0.600 1.039 -0.897) 1.498 29.185 ( -22.840 -39.560 1.864) 45.718 29.327 ( -20.287 -35.138 -1.187) 40.591======================= Grid point 530 (85/132) =======================q-point: ( 0.30 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.138 ( -5.994 -17.635 78.369) 80.552 7.476 ( 12.760 20.569 -36.761) 44.014 11.557 ( 7.756 19.520 -17.695) 27.465 11.990 ( -1.990 3.587 -30.759) 31.032 12.573 ( -4.499 31.359 29.022) 42.964 12.979 ( 26.632 13.343 25.973) 39.521 13.570 ( 3.970 -5.434 22.366) 23.356 14.351 ( -6.751 -7.804 2.224) 10.556 14.603 ( -10.302 -8.519 18.481) 22.809 15.786 ( -2.055 25.051 -44.251) 50.892 16.692 ( 8.567 10.215 -31.900) 34.574 17.521 ( -5.311 23.756 -9.608) 26.171 17.831 ( 14.776 32.699 3.184) 36.024 18.181 ( 6.258 18.060 23.047) 29.941 18.584 ( 12.490 39.867 1.231) 41.796 19.172 ( 5.812 9.190 2.374) 11.130 19.846 ( 0.807 -3.626 9.609) 10.302 20.208 ( -4.809 16.882 -0.295) 17.556 20.338 ( 6.728 0.526 2.314) 7.134 20.930 ( 11.339 1.846 -0.268) 11.492 21.382 ( -0.733 -9.164 4.952) 10.442 22.225 ( 19.044 4.162 -9.124) 21.523 23.528 ( 10.723 20.321 10.336) 25.195 24.412 ( 3.866 -10.628 -13.564) 17.660 25.575 ( 0.219 -5.817 16.757) 17.739 26.772 ( -16.441 -36.339 -12.584) 41.823 28.378 ( -7.770 -1.279 1.070) 7.947 28.389 ( -10.393 -5.315 0.365) 11.679 28.519 ( -6.086 -22.944 1.330) 23.774 28.702 ( -9.487 -26.085 -2.136) 27.838======================= Grid point 531 (86/132) =======================q-point: ( 0.35 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( 2.117 -13.868 87.033) 88.157 7.793 ( 2.762 12.323 -45.635) 47.351 11.783 ( -1.212 13.202 -17.325) 21.816 11.970 ( -5.197 6.849 -25.942) 27.329 12.734 ( -7.772 21.274 33.123) 40.126 13.485 ( 19.483 4.192 26.668) 33.291 13.666 ( 5.653 0.289 21.924) 22.643 14.109 ( -3.622 -11.506 12.400) 17.300 14.286 ( -10.415 -12.338 16.862) 23.346 15.924 ( -15.648 32.908 -52.823) 64.172 17.004 ( 5.536 17.511 -37.502) 41.757 17.521 ( -11.697 11.627 -21.014) 26.713 18.283 ( 3.048 21.326 6.762) 22.579 18.407 ( -9.252 27.379 20.461) 35.410 19.044 ( -4.567 32.818 1.251) 33.158 19.149 ( -12.412 11.824 3.522) 17.500 20.036 ( 17.561 -4.606 10.068) 20.760 20.253 ( -5.653 11.151 0.976) 12.540 20.358 ( 0.875 -8.182 11.992) 14.543 20.984 ( 4.463 -14.331 22.500) 27.047 21.338 ( -0.297 2.442 -13.140) 13.368 22.560 ( 20.321 -13.148 -7.410) 25.313 23.852 ( -0.100 19.946 4.892) 20.537 24.351 ( 9.447 -22.182 -7.167) 25.153 25.597 ( 5.987 -2.583 6.154) 8.966 26.220 ( -2.153 -33.572 -8.771) 34.766 28.021 ( -2.500 -15.124 1.670) 15.420 28.128 ( -5.154 -15.205 -0.856) 16.078 28.440 ( -1.490 3.064 1.156) 3.598 28.561 ( 0.567 -2.581 -1.481) 3.029======================= Grid point 550 (87/132) =======================q-point: ( 0.30 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( -5.962 -10.326 89.471) 90.262 7.832 ( 7.640 13.232 -48.304) 50.663 11.889 ( 6.976 12.083 -22.074) 26.113 12.021 ( 0.310 0.537 -25.389) 25.396 12.994 ( 2.964 5.133 36.160) 36.643 13.260 ( 11.632 20.146 31.335) 39.026 13.592 ( 4.305 7.456 22.745) 24.320 14.069 ( -9.092 -15.748 10.891) 21.196 14.336 ( -9.794 -16.964 18.594) 27.008 16.364 ( 14.872 25.759 -55.566) 63.027 16.912 ( 7.366 12.759 -42.411) 44.897 17.652 ( -4.721 -8.177 -46.062) 47.020 18.550 ( 18.273 31.649 27.522) 45.749 18.582 ( 11.515 19.945 30.639) 38.329 19.259 ( 14.155 24.517 3.387) 28.512 19.323 ( 4.010 6.945 4.264) 9.083 19.817 ( 0.778 1.347 11.812) 11.914 20.140 ( -5.990 -10.375 -1.412) 12.063 20.451 ( -4.393 -7.608 34.152) 35.264 21.031 ( 4.608 7.981 -7.051) 11.604 21.274 ( 1.814 3.141 -6.557) 7.493 22.263 ( 0.190 0.329 -7.079) 7.090 23.974 ( 12.469 21.597 -1.333) 24.974 24.132 ( -8.707 -15.080 -5.336) 18.212 25.508 ( -0.410 -0.710 6.976) 7.024 26.073 ( -17.836 -30.892 -6.895) 36.332 27.963 ( -9.304 -16.115 1.416) 18.662 28.090 ( -11.139 -19.293 -1.346) 22.318 28.477 ( 1.805 3.127 0.634) 3.666 28.547 ( 0.220 0.380 -0.938) 1.036======================= Grid point 551 (88/132) =======================q-point: ( 0.35 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.739 ( 3.039 -5.264 94.157) 94.353 7.973 ( -2.745 4.755 -53.439) 53.720 11.991 ( -4.002 6.932 -20.201) 21.729 12.052 ( -0.543 0.940 -25.208) 25.232 13.012 ( -2.710 4.694 39.601) 39.970 13.581 ( -5.552 9.617 36.954) 38.586 13.694 ( -0.739 1.280 12.759) 12.845 13.918 ( 6.349 -10.998 26.421) 29.314 14.026 ( 4.545 -7.873 9.378) 13.061 16.630 ( -18.936 32.798 -57.195) 68.597 17.235 ( -0.570 0.988 -46.504) 46.518 17.366 ( 9.634 -16.687 -51.461) 54.950 18.770 ( -15.079 26.118 32.994) 44.700 18.980 ( -8.894 15.404 32.378) 36.942 19.415 ( -9.156 15.859 2.177) 18.442 19.537 ( -6.394 11.075 4.250) 13.476 19.840 ( 6.405 -11.094 2.953) 13.147 19.979 ( 10.112 -17.516 1.042) 20.252 20.273 ( 6.511 -11.278 52.007) 53.612 21.090 ( -11.297 19.567 -8.114) 24.007 21.389 ( 1.207 -2.090 -13.915) 14.123 22.271 ( 6.415 -11.112 -6.742) 14.495 23.940 ( 7.951 -13.772 -0.954) 15.931 24.246 ( -8.608 14.910 -7.744) 18.878 25.560 ( 1.500 -2.599 1.802) 3.500 25.649 ( 10.050 -17.408 -0.858) 20.119 27.813 ( 2.597 -4.498 0.370) 5.207 27.868 ( 4.533 -7.851 -0.832) 9.104 28.513 ( -1.602 2.775 0.340) 3.223 28.552 ( 0.150 -0.261 -0.516) 0.597======================= Grid point 842 (89/132) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.218 ( -0.000 -0.000 75.656) 75.656 3.218 ( 0.000 0.000 75.656) 75.656 4.729 ( -0.000 -0.000 -70.895) 70.895 4.729 ( -0.000 -0.000 -70.895) 70.895 5.156 ( -0.000 -0.000 118.352) 118.352 7.452 ( -0.000 0.000 -103.405) 103.405 9.304 ( 0.000 0.000 35.937) 35.937 9.304 ( 0.000 0.000 35.937) 35.937 9.925 ( 0.000 0.000 -24.351) 24.351 9.925 ( 0.000 0.000 -24.351) 24.351 13.053 ( 0.000 -0.000 13.511) 13.511 13.237 ( 0.000 0.000 -5.247) 5.247 15.934 ( 0.000 0.000 0.194) 0.194 15.934 ( 0.000 0.000 0.194) 0.194 15.940 ( -0.000 0.000 -0.355) 0.355 15.940 ( -0.000 0.000 -0.355) 0.355 16.273 ( -0.000 0.000 0.361) 0.361 16.273 ( 0.000 -0.000 0.361) 0.361 16.280 ( 0.000 -0.000 -0.257) 0.257 16.280 ( 0.000 -0.000 -0.257) 0.257 20.771 ( 0.000 0.000 29.952) 29.952 21.358 ( -0.000 -0.000 -25.377) 25.377 26.811 ( 0.000 0.000 14.969) 14.969 27.171 ( 0.000 -0.000 -19.077) 19.077 28.871 ( 0.000 0.000 0.249) 0.249 28.871 ( 0.000 -0.000 0.249) 0.249 28.876 ( 0.000 -0.000 -0.249) 0.249 28.876 ( 0.000 -0.000 -0.249) 0.249 32.518 ( 0.000 -0.000 19.814) 19.814 32.905 ( 0.000 0.000 -16.834) 16.834======================= Grid point 843 (90/132) =======================q-point: ( 0.05 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.561 ( 27.581 15.924 68.089) 75.169 3.606 ( 27.445 15.845 66.440) 73.611 4.964 ( 19.350 11.172 -67.248) 70.863 4.982 ( 17.354 10.019 -66.245) 69.209 5.714 ( 46.969 27.118 103.067) 116.466 7.749 ( 26.677 15.402 -89.905) 95.036 9.413 ( 9.229 5.328 35.412) 36.981 9.554 ( 18.932 10.930 30.889) 37.842 10.026 ( 8.558 4.941 -24.056) 26.007 10.134 ( 11.822 6.826 -22.838) 26.607 11.937 ( -66.895 -38.622 42.973) 88.392 12.471 ( -35.147 -20.292 -12.398) 42.436 15.736 ( -11.278 -6.511 0.109) 13.023 15.739 ( -11.350 -6.553 -0.211) 13.107 15.901 ( 2.204 1.273 2.854) 3.824 15.957 ( 4.570 2.638 -2.599) 5.882 16.494 ( 13.152 7.593 0.449) 15.193 16.503 ( 13.245 7.647 -0.400) 15.299 17.060 ( 49.649 28.665 22.173) 61.468 17.663 ( 78.664 45.417 -39.742) 99.147 20.791 ( 1.930 1.114 25.561) 25.658 21.309 ( -4.026 -2.325 -23.242) 23.703 25.890 ( -58.325 -33.674 4.603) 67.505 25.979 ( -68.340 -39.456 -3.108) 78.973 28.849 ( -1.706 -0.985 0.664) 2.079 28.863 ( -1.238 -0.715 -0.664) 1.576 29.556 ( 28.869 16.668 11.525) 35.271 29.595 ( 41.059 23.705 3.423) 47.534 32.546 ( 2.509 1.449 3.697) 4.697 32.773 ( -10.560 -6.097 -14.095) 18.638======================= Grid point 844 (91/132) =======================q-point: ( 0.10 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.309 ( 30.972 17.881 45.346) 57.751 4.408 ( 42.379 24.468 54.319) 73.111 5.325 ( 9.651 5.572 -51.259) 52.456 5.588 ( 32.636 18.842 -58.939) 69.957 7.213 ( 75.433 43.551 77.850) 116.822 8.726 ( 53.099 30.657 -57.656) 84.164 9.715 ( -37.278 -21.522 37.118) 56.839 9.729 ( 17.496 10.101 34.095) 39.631 9.978 ( 8.627 4.981 -3.153) 10.448 10.322 ( 16.535 9.546 -23.369) 30.177 11.590 ( 34.675 20.019 11.480) 41.652 12.034 ( 7.243 4.182 -25.634) 26.964 15.499 ( -8.383 -4.840 0.209) 9.683 15.504 ( -8.105 -4.680 -0.283) 9.364 16.022 ( 7.727 4.461 5.667) 10.570 16.130 ( 10.088 5.824 -4.748) 12.579 16.794 ( 11.740 6.778 0.488) 13.565 16.804 ( 11.731 6.773 -0.449) 13.553 18.186 ( 41.899 24.190 50.140) 69.675 19.327 ( 60.321 34.826 -60.951) 92.555 20.880 ( 5.933 3.426 13.462) 15.105 21.191 ( -4.799 -2.770 -16.539) 17.442 24.529 ( -53.179 -30.703 -0.095) 61.406 24.551 ( -51.809 -29.912 -2.004) 59.857 28.792 ( -3.167 -1.828 1.095) 3.817 28.815 ( -2.880 -1.663 -1.095) 3.502 29.841 ( -2.640 -1.524 44.170) 44.275 30.370 ( 21.340 12.320 -10.090) 26.627 32.474 ( -12.904 -7.450 -2.601) 15.126 32.619 ( 2.727 1.574 -17.794) 18.070======================= Grid point 845 (92/132) =======================q-point: ( 0.15 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.993 ( 24.269 14.012 18.139) 33.382 5.471 ( 46.932 27.096 42.787) 69.047 5.482 ( 7.243 4.182 -27.620) 28.859 6.439 ( 38.776 22.388 -49.971) 67.096 8.599 ( -0.367 -0.212 73.826) 73.827 9.269 ( 46.505 26.850 30.561) 61.787 9.926 ( 24.572 14.187 -6.067) 29.014 10.221 ( 24.017 13.866 32.589) 42.792 10.528 ( 62.493 36.080 -65.246) 97.284 10.793 ( 23.305 13.455 -22.783) 35.259 12.735 ( 55.129 31.829 -1.862) 63.684 12.796 ( 51.369 29.658 -8.783) 59.963 15.356 ( -3.658 -2.112 0.879) 4.314 15.374 ( -2.748 -1.587 -0.881) 3.293 16.262 ( 13.040 7.529 8.784) 17.432 16.437 ( 16.353 9.442 -7.761) 20.416 17.026 ( 7.750 4.474 0.448) 8.960 17.035 ( 7.705 4.448 -0.411) 8.907 18.916 ( 19.734 11.394 67.347) 71.097 20.369 ( 21.656 12.503 -70.488) 74.792 21.047 ( 12.510 7.222 8.605) 16.814 21.255 ( 12.688 7.325 -10.827) 18.217 23.462 ( -37.024 -21.376 1.012) 42.763 23.559 ( -33.202 -19.169 -9.519) 39.503 28.700 ( -4.657 -2.689 1.261) 5.524 28.727 ( -4.648 -2.683 -1.262) 5.513 29.564 ( -18.439 -10.646 59.400) 63.101 30.527 ( -7.334 -4.234 -34.274) 35.305 32.250 ( -5.739 -3.314 14.508) 15.950 32.631 ( -2.380 -1.374 -21.104) 21.282======================= Grid point 846 (93/132) =======================q-point: ( 0.20 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.305 ( 5.715 3.300 18.929) 20.047 5.804 ( 16.095 9.292 -28.709) 34.199 6.566 ( 45.674 26.370 34.393) 62.963 7.365 ( 39.287 22.682 -42.101) 61.891 8.460 ( 3.465 2.000 75.732) 75.838 9.819 ( 10.081 5.820 -50.047) 51.383 10.840 ( 28.346 16.366 31.452) 45.393 11.369 ( 78.312 45.213 37.881) 98.041 11.402 ( 28.253 16.312 -22.826) 39.817 12.203 ( 71.729 41.413 -42.996) 93.321 14.020 ( 54.125 31.249 3.945) 62.622 14.183 ( 61.469 35.489 -11.751) 71.944 15.327 ( 1.135 0.655 2.421) 2.753 15.376 ( 2.828 1.633 -2.212) 3.944 16.669 ( 22.770 13.146 12.738) 29.216 16.926 ( 26.107 15.073 -11.574) 32.292 17.150 ( 2.752 1.589 0.429) 3.207 17.159 ( 2.788 1.610 -0.398) 3.244 19.162 ( 3.153 1.820 65.751) 65.852 20.382 ( -9.865 -5.696 -43.102) 44.582 21.480 ( 11.603 6.699 -3.639) 13.883 21.613 ( 14.916 8.612 -14.687) 22.636 22.846 ( -14.508 -8.376 1.553) 16.824 22.995 ( -12.531 -7.235 -16.506) 21.950 28.574 ( -6.095 -3.519 1.117) 7.126 28.597 ( -6.359 -3.672 -1.117) 7.428 29.059 ( -23.403 -13.512 61.467) 67.145 30.142 ( -22.563 -13.027 -43.978) 51.115 32.141 ( -5.395 -3.115 17.431) 18.511 32.493 ( -9.499 -5.484 -16.163) 19.534======================= Grid point 847 (94/132) =======================q-point: ( 0.25 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.429 ( 5.605 3.236 31.681) 32.336 6.062 ( 6.043 3.489 -26.998) 27.885 7.587 ( 40.788 23.549 28.214) 54.902 8.252 ( 35.731 20.629 -35.490) 54.422 8.833 ( 26.696 15.413 59.863) 67.334 10.112 ( 15.347 8.861 -57.616) 60.280 11.533 ( 30.380 17.540 30.831) 46.703 12.101 ( 30.875 17.826 -23.760) 42.843 13.059 ( 61.501 35.508 31.913) 77.857 13.706 ( 52.919 30.553 -30.440) 68.268 15.206 ( 47.467 27.405 16.007) 57.100 15.401 ( 4.924 2.843 4.929) 7.525 15.498 ( 7.261 4.192 -4.244) 9.397 15.613 ( 60.501 34.930 -22.505) 73.396 17.156 ( -2.086 -1.204 0.575) 2.476 17.168 ( -1.844 -1.065 -0.538) 2.196 17.383 ( 37.820 21.836 14.399) 45.984 17.674 ( 36.024 20.798 -12.829) 43.530 19.166 ( 0.131 0.076 53.205) 53.205 20.117 ( -11.116 -6.418 -34.092) 36.428 21.449 ( -8.935 -5.159 10.526) 14.739 21.783 ( -2.192 -1.266 -21.792) 21.939 22.744 ( 5.488 3.168 9.391) 11.329 23.069 ( 14.406 8.317 -25.673) 30.591 28.416 ( -7.257 -4.190 0.707) 8.409 28.431 ( -7.718 -4.456 -0.707) 8.940 28.504 ( -23.428 -13.526 58.626) 64.566 29.563 ( -25.629 -14.797 -43.997) 53.024 31.941 ( -12.134 -7.005 12.659) 18.883 32.184 ( -16.789 -9.693 -10.488) 22.041======================= Grid point 848 (95/132) =======================q-point: ( 0.30 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.551 ( 3.890 2.246 39.893) 40.145 6.169 ( 4.955 2.861 -17.801) 18.698 8.462 ( 33.429 19.300 23.544) 45.214 9.021 ( 29.460 17.009 -29.970) 45.337 9.606 ( 37.071 21.403 33.650) 54.449 10.530 ( 19.899 11.489 -49.549) 54.618 12.248 ( 30.078 17.365 30.459) 46.195 12.831 ( 30.775 17.768 -25.402) 43.682 14.130 ( 29.776 17.191 22.042) 40.841 14.574 ( 21.188 12.233 -20.154) 31.698 15.545 ( 7.024 4.055 8.080) 11.449 15.700 ( 9.439 5.450 -6.589) 12.736 16.377 ( 53.497 30.887 28.763) 68.141 17.022 ( 58.020 33.498 -31.526) 74.042 17.062 ( -5.648 -3.261 1.035) 6.603 17.083 ( -5.118 -2.955 -0.926) 5.982 18.215 ( 18.068 10.432 15.573) 26.035 18.368 ( 22.964 13.258 -0.033) 26.516 19.450 ( 29.702 17.149 18.773) 39.099 19.964 ( 2.131 1.230 -25.120) 25.241 21.277 ( -2.579 -1.489 15.923) 16.199 21.659 ( -4.047 -2.337 -20.593) 21.117 22.992 ( 13.247 7.648 18.279) 23.835 23.466 ( 17.689 10.213 -28.759) 35.274 27.973 ( -21.644 -12.496 54.008) 59.511 28.238 ( -7.836 -4.524 0.149) 9.049 28.241 ( -8.348 -4.820 -0.149) 9.640 28.968 ( -24.718 -14.271 -42.007) 50.786 31.564 ( -19.963 -11.526 7.838) 24.347 31.708 ( -23.651 -13.655 -5.873) 27.934======================= Grid point 849 (96/132) =======================q-point: ( 0.35 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.591 ( -0.140 -0.081 50.473) 50.473 6.338 ( 9.300 5.369 -20.822) 23.428 9.146 ( 24.709 14.266 20.125) 34.915 9.625 ( 21.865 12.624 -25.634) 35.980 10.501 ( 37.995 21.937 12.577) 45.640 11.026 ( 21.913 12.651 -34.914) 43.119 12.925 ( 27.156 15.678 29.999) 43.395 13.522 ( 27.584 15.926 -27.170) 41.866 14.560 ( 9.425 5.442 14.101) 17.813 14.816 ( 2.161 1.248 -9.472) 9.796 15.716 ( 7.206 4.160 10.888) 13.703 15.918 ( 8.605 4.968 -8.475) 13.060 16.909 ( -6.984 -4.032 1.908) 8.287 16.945 ( -6.196 -3.577 -1.543) 7.319 17.602 ( 46.837 27.042 28.701) 61.227 17.937 ( 0.977 0.564 11.540) 11.595 18.487 ( 28.125 16.238 -16.360) 36.363 18.677 ( 5.475 3.161 -21.133) 22.058 20.153 ( 22.208 12.822 5.860) 26.305 20.376 ( 24.884 14.367 -14.170) 32.038 21.474 ( 22.449 12.961 16.423) 30.687 21.794 ( 19.635 11.336 -14.114) 26.707 23.327 ( 15.443 8.916 24.811) 30.555 23.881 ( 17.953 10.365 -28.979) 35.630 27.492 ( -19.218 -11.096 48.376) 53.223 28.047 ( -7.953 -4.592 0.444) 9.194 28.056 ( -7.459 -4.306 -0.444) 8.624 28.408 ( -22.965 -13.259 -39.600) 47.659 31.014 ( -26.507 -15.304 4.254) 30.902 31.083 ( -29.180 -16.847 -2.363) 33.777======================= Grid point 850 (97/132) =======================q-point: ( 0.40 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.569 ( -1.280 -0.739 62.720) 62.737 6.571 ( 9.709 5.605 -32.583) 34.458 9.621 ( 15.836 9.143 17.899) 25.588 10.047 ( 14.121 8.153 -22.687) 27.938 11.338 ( 32.009 18.481 -1.565) 36.994 11.534 ( 20.828 12.025 -19.419) 30.911 13.499 ( 21.188 12.233 29.334) 38.197 14.099 ( 21.025 12.139 -28.229) 37.233 14.660 ( 0.369 0.213 7.467) 7.479 14.767 ( -4.891 -2.824 -2.170) 6.050 15.871 ( 5.837 3.370 11.516) 13.344 16.078 ( 4.588 2.649 -8.611) 10.110 16.755 ( -5.699 -3.291 3.172) 7.306 16.813 ( -4.596 -2.654 -2.362) 5.809 17.663 ( -14.889 -8.596 31.947) 36.279 18.352 ( 2.079 1.200 -29.297) 29.395 18.580 ( 13.602 7.853 27.801) 31.931 19.352 ( 25.477 14.709 -39.092) 48.925 20.606 ( 18.391 10.618 5.998) 22.067 20.752 ( 11.359 6.558 -7.914) 15.319 22.221 ( 34.187 19.738 17.682) 43.255 22.538 ( 37.943 21.906 -12.565) 45.579 23.733 ( 19.099 11.027 29.479) 36.815 24.326 ( 20.017 11.557 -27.994) 36.303 27.087 ( -14.531 -8.390 40.963) 44.266 27.877 ( -6.306 -3.641 0.924) 7.340 27.897 ( -5.942 -3.430 -0.923) 6.923 27.899 ( -19.989 -11.541 -36.544) 43.222 30.341 ( -30.350 -17.522 2.637) 35.144 30.371 ( -30.114 -17.386 -0.482) 34.776======================= Grid point 851 (98/132) =======================q-point: ( 0.45 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.544 ( -0.781 -0.451 72.026) 72.031 6.762 ( 5.985 3.455 -43.705) 44.248 9.895 ( 7.606 4.391 16.719) 18.885 10.292 ( 6.837 3.947 -21.076) 22.506 11.906 ( 14.940 8.625 -4.394) 17.801 12.003 ( 18.166 10.488 -12.486) 24.412 13.894 ( 11.926 6.886 28.617) 31.758 14.485 ( 11.376 6.568 -27.968) 30.899 14.617 ( -3.272 -1.889 2.790) 4.697 14.649 ( -3.957 -2.285 -0.100) 4.570 15.985 ( 3.862 2.230 8.197) 9.332 16.126 ( -0.197 -0.114 -5.702) 5.707 16.652 ( -2.999 -1.732 4.942) 6.035 16.743 ( -1.427 -0.824 -3.727) 4.075 17.349 ( -10.474 -6.047 37.765) 39.655 18.196 ( -6.679 -3.856 -41.261) 41.975 18.894 ( 7.622 4.401 33.493) 34.630 19.697 ( 6.259 3.613 -40.144) 40.789 21.007 ( 13.802 7.968 -1.052) 15.972 21.018 ( 10.023 5.787 -1.509) 11.672 22.898 ( 22.137 12.781 25.944) 36.421 23.311 ( 23.945 13.825 -13.008) 30.556 24.174 ( 16.418 9.479 30.075) 35.551 24.771 ( 15.556 8.981 -27.040) 32.462 26.854 ( -4.593 -2.652 30.129) 30.592 27.505 ( -12.547 -7.244 -31.680) 34.835 27.760 ( -3.506 -2.024 1.231) 4.232 27.786 ( -3.319 -1.916 -1.230) 4.024 29.666 ( -24.354 -14.061 4.748) 28.520 29.734 ( -22.352 -12.905 -2.018) 25.888======================= Grid point 852 (99/132) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 283Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.535 ( 0.000 0.000 75.456) 75.456 6.834 ( 0.000 0.000 -48.103) 48.103 9.983 ( 0.000 0.000 16.359) 16.359 10.372 ( 0.000 0.000 -20.577) 20.577 12.083 ( 0.000 0.000 -0.634) 0.634 12.233 ( 0.000 0.000 -13.867) 13.867 14.037 ( 0.000 0.000 28.279) 28.279 14.569 ( 0.000 0.000 1.587) 1.587 14.599 ( 0.000 0.000 -1.230) 1.230 14.620 ( 0.000 0.000 -27.404) 27.404 16.041 ( 0.000 0.000 4.143) 4.143 16.107 ( 0.000 0.000 -2.438) 2.438 16.616 ( 0.000 0.000 6.215) 6.215 16.730 ( 0.000 0.000 -4.584) 4.584 17.219 ( 0.000 0.000 40.696) 40.696 18.113 ( 0.000 0.000 -42.154) 42.154 18.973 ( 0.000 0.000 32.004) 32.004 19.755 ( 0.000 0.000 -39.047) 39.047 21.145 ( 0.000 0.000 -0.325) 0.325 21.179 ( 0.000 0.000 -4.479) 4.479 23.183 ( 0.000 0.000 29.682) 29.682 23.586 ( 0.000 0.000 -6.920) 6.920 24.392 ( 0.000 0.000 25.404) 25.404 24.961 ( 0.000 0.000 -26.812) 26.812 26.828 ( 0.000 0.000 22.328) 22.328 27.351 ( 0.000 0.000 -27.569) 27.569 27.718 ( 0.000 0.000 1.335) 1.335 27.746 ( 0.000 0.000 -1.333) 1.333 29.348 ( 0.000 0.000 6.371) 6.371 29.445 ( 0.000 0.000 -3.230) 3.230======================= Grid point 864 (100/132) =======================q-point: ( 0.05 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.098 ( 17.007 29.458 51.816) 61.983 4.168 ( 23.664 40.988 57.024) 74.106 5.251 ( 7.264 12.581 -56.622) 58.456 5.412 ( 18.374 31.825 -60.654) 70.918 6.742 ( 40.458 70.076 84.245) 116.810 8.400 ( 27.999 48.495 -67.904) 88.015 9.636 ( 9.201 15.936 34.738) 39.311 9.868 ( 8.256 14.300 12.143) 20.497 9.966 ( -20.690 -35.836 19.790) 45.869 10.238 ( 9.156 15.859 -23.637) 29.901 11.421 ( 8.339 14.444 24.314) 29.484 12.038 ( -5.410 -9.370 -27.411) 29.469 15.647 ( -3.086 -5.346 0.976) 6.249 15.665 ( -2.729 -4.726 -0.719) 5.504 15.851 ( 0.300 0.520 3.172) 3.229 15.912 ( 0.685 1.187 -2.795) 3.113 16.757 ( 8.335 14.437 1.395) 16.728 16.784 ( 8.965 15.528 -1.168) 17.968 17.905 ( 26.808 46.432 43.363) 68.957 18.927 ( 38.524 66.726 -57.354) 96.052 20.849 ( 3.005 5.205 16.879) 17.917 21.222 ( -3.352 -5.805 -18.636) 19.805 24.882 ( -33.159 -57.432 -0.150) 66.317 24.884 ( -32.588 -56.444 -0.262) 65.176 28.821 ( -1.371 -2.375 0.228) 2.752 28.825 ( -1.418 -2.457 -0.165) 2.842 29.837 ( 2.618 4.535 36.365) 36.740 30.211 ( 16.397 28.400 -4.440) 33.093 32.557 ( -7.835 -13.571 -6.867) 17.109 32.598 ( 1.784 3.090 -13.719) 14.175======================= Grid point 865 (101/132) =======================q-point: ( 0.10 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.725 ( 22.452 22.102 24.823) 40.110 5.077 ( 28.874 30.656 28.007) 50.576 5.477 ( 9.373 17.290 -17.700) 26.459 6.196 ( 27.660 39.543 -50.493) 69.844 8.324 ( 50.397 56.642 72.334) 104.787 9.146 ( -14.577 -11.806 43.781) 47.630 9.593 ( 37.033 32.157 -15.030) 51.297 10.049 ( 15.606 16.055 -31.897) 38.971 10.105 ( 17.673 20.794 7.304) 28.251 10.676 ( 17.102 26.571 -25.108) 40.360 12.254 ( 40.174 43.290 -0.207) 59.060 12.391 ( 29.781 31.773 -13.405) 45.564 15.514 ( -9.988 5.612 1.404) 11.542 15.540 ( -10.370 7.300 -1.063) 12.726 15.989 ( 15.890 -3.903 4.847) 17.065 16.085 ( 19.447 -5.082 -4.343) 20.564 17.017 ( 5.265 12.163 2.393) 13.468 17.064 ( 4.857 14.766 -2.094) 15.685 18.720 ( 21.155 24.604 63.621) 71.417 20.116 ( 31.132 37.082 -69.773) 84.927 21.014 ( 4.489 10.400 5.457) 12.574 21.143 ( 4.319 0.260 -7.661) 8.798 23.796 ( -33.264 -38.430 -0.122) 50.827 23.848 ( -29.451 -35.387 -6.487) 46.493 28.750 ( -3.613 -2.484 0.763) 4.451 28.764 ( -2.651 -3.258 -0.558) 4.237 29.706 ( -10.994 -12.316 55.778) 58.170 30.547 ( 1.817 1.859 -26.158) 26.287 32.303 ( -6.461 -7.965 9.102) 13.713 32.633 ( -0.092 -0.977 -21.437) 21.459======================= Grid point 866 (102/132) =======================q-point: ( 0.15 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.194 ( 9.616 6.008 8.776) 14.338 5.501 ( 20.030 0.785 -19.892) 28.240 6.317 ( 30.934 51.046 35.592) 69.494 7.134 ( 29.242 44.255 -41.264) 67.204 8.511 ( -7.696 -2.175 73.394) 73.828 9.748 ( 7.751 12.210 -33.709) 36.680 10.332 ( 52.446 27.148 31.255) 66.817 10.846 ( 36.209 49.600 34.062) 70.224 11.046 ( 36.292 22.024 -30.790) 52.442 11.606 ( 48.470 56.362 -43.135) 85.945 13.452 ( 46.437 37.025 0.148) 59.391 13.537 ( 52.345 40.164 -8.107) 66.474 15.449 ( -6.618 11.408 2.382) 13.402 15.495 ( -6.117 13.595 -1.981) 15.039 16.321 ( 23.770 1.559 7.797) 25.065 16.474 ( 28.200 -0.700 -6.675) 28.988 17.180 ( 1.343 8.392 3.188) 9.077 17.249 ( 0.566 12.460 -3.313) 12.905 19.116 ( 6.763 7.238 69.159) 69.865 20.502 ( -5.521 0.876 -56.167) 56.444 21.357 ( 16.877 20.975 -4.512) 27.297 21.455 ( 15.147 12.563 -8.263) 21.344 22.994 ( -20.226 -23.403 2.117) 31.005 23.138 ( -18.259 -20.409 -14.495) 30.985 28.644 ( -5.258 -2.980 1.275) 6.177 28.663 ( -4.890 -3.440 -0.596) 6.008 29.278 ( -18.737 -17.170 60.733) 65.836 30.333 ( -15.453 -14.977 -41.830) 47.041 32.171 ( -3.195 -4.856 17.818) 18.743 32.550 ( -5.050 -7.025 -18.324) 20.264======================= Grid point 867 (103/132) =======================q-point: ( 0.20 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.328 ( 6.374 0.241 21.582) 22.505 5.836 ( 16.572 -4.824 -26.231) 31.400 7.368 ( 28.605 50.034 31.222) 65.548 8.085 ( 25.340 46.156 -36.544) 64.093 8.619 ( 13.664 13.625 68.108) 70.789 9.975 ( 10.512 9.435 -57.021) 58.745 11.233 ( 29.635 23.426 30.542) 48.578 11.799 ( 28.506 23.277 -23.298) 43.557 12.392 ( 60.861 52.318 34.739) 87.453 13.113 ( 54.336 45.603 -34.837) 79.029 14.583 ( 45.113 20.917 8.384) 50.428 14.826 ( 52.020 23.552 -14.491) 58.913 15.539 ( -0.394 21.456 4.673) 21.962 15.638 ( 2.622 26.431 -4.995) 27.027 16.884 ( 31.293 9.785 8.313) 33.824 17.018 ( 24.001 2.638 -4.584) 24.577 17.260 ( 1.788 8.794 5.646) 10.602 17.410 ( 10.258 15.528 -8.328) 20.388 19.184 ( -1.028 0.647 60.824) 60.836 20.289 ( -13.224 -3.544 -39.844) 42.130 21.591 ( -7.734 3.674 3.335) 9.189 21.776 ( 5.320 5.940 -14.684) 16.710 22.664 ( 0.933 -8.446 4.939) 9.828 22.910 ( 7.822 0.062 -23.786) 25.039 28.500 ( -7.083 -4.709 4.330) 9.544 28.523 ( -7.094 -3.270 0.072) 7.812 28.749 ( -20.779 -15.976 55.588) 61.458 29.809 ( -21.995 -19.486 -44.191) 53.069 32.021 ( -6.960 -9.126 14.687) 18.639 32.307 ( -11.006 -13.046 -12.646) 21.243======================= Grid point 868 (104/132) =======================q-point: ( 0.25 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.452 ( 7.098 -0.625 32.043) 32.825 5.999 ( 11.299 -7.397 -18.706) 23.071 8.310 ( 22.477 45.684 26.254) 57.285 8.911 ( 17.404 40.888 -28.382) 52.728 9.232 ( 31.545 24.418 42.491) 58.282 10.325 ( 16.564 11.970 -54.289) 58.008 11.975 ( 26.763 25.388 29.370) 47.153 12.539 ( 27.638 24.491 -24.302) 44.207 13.737 ( 39.895 30.417 25.575) 56.311 14.257 ( 32.779 22.992 -24.124) 46.745 15.365 ( 25.743 4.023 10.099) 27.944 15.530 ( 17.439 6.006 -4.902) 19.084 16.001 ( 23.990 37.124 17.046) 47.374 16.452 ( 45.347 42.593 -24.475) 66.855 17.104 ( -2.332 -3.663 1.196) 4.505 17.126 ( -2.840 -2.333 -1.146) 3.850 17.892 ( 36.360 26.864 11.780) 46.717 18.094 ( 30.664 19.912 -5.886) 37.032 19.230 ( 9.207 7.347 40.560) 42.236 20.038 ( -9.918 -1.485 -32.592) 34.100 21.378 ( -11.128 -2.158 12.766) 17.072 21.719 ( -6.765 -4.859 -19.966) 21.634 22.813 ( 14.143 4.079 15.074) 21.069 23.241 ( 18.618 8.696 -28.623) 35.235 28.171 ( -18.048 -17.540 52.179) 57.932 28.355 ( -8.657 -2.204 0.093) 8.934 28.370 ( -10.530 -2.538 3.701) 11.446 29.211 ( -22.541 -19.680 -42.599) 52.059 31.719 ( -13.553 -15.172 9.585) 22.488 31.899 ( -17.093 -18.506 -7.597) 26.312======================= Grid point 869 (105/132) =======================q-point: ( 0.30 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.530 ( 4.093 -4.151 42.680) 43.076 6.156 ( 13.095 -2.445 -17.194) 21.751 9.072 ( 14.959 39.050 21.808) 47.162 9.555 ( 13.451 32.751 -21.687) 41.520 10.103 ( 34.665 28.181 17.409) 47.947 10.784 ( 20.326 13.487 -41.844) 48.435 12.682 ( 24.338 24.246 28.383) 44.563 13.250 ( 25.615 22.118 -25.699) 42.494 14.417 ( 15.993 12.089 17.156) 26.387 14.751 ( 9.576 7.006 -13.498) 17.971 15.680 ( 7.300 10.181 8.884) 15.358 15.850 ( 9.998 10.589 -7.034) 16.173 16.908 ( 5.708 -2.754 7.049) 9.479 16.984 ( -3.885 -5.532 -1.721) 6.975 17.119 ( 33.418 29.058 24.168) 50.450 17.702 ( 41.274 30.069 -24.156) 56.491 18.383 ( 2.372 11.934 15.943) 20.055 18.670 ( 10.153 14.764 -8.515) 19.839 19.841 ( 31.955 18.650 4.602) 37.285 20.082 ( 17.321 9.592 -16.347) 25.675 21.305 ( 5.848 3.902 14.911) 16.485 21.635 ( 5.203 0.382 -16.492) 17.297 23.137 ( 15.513 6.932 21.996) 27.795 23.659 ( 18.351 8.944 -29.150) 35.588 27.675 ( -17.694 -16.690 50.811) 56.333 28.174 ( -9.656 -1.703 0.124) 9.806 28.179 ( -9.307 -1.253 -0.108) 9.392 28.628 ( -21.077 -19.269 -40.285) 49.380 31.239 ( -20.025 -20.516 5.476) 29.188 31.335 ( -22.675 -23.008 -3.691) 32.514======================= Grid point 870 (106/132) =======================q-point: ( 0.35 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.526 ( 2.108 -5.954 56.147) 56.501 6.397 ( 13.956 1.228 -27.048) 30.461 9.626 ( 7.319 31.409 18.360) 37.111 10.042 ( 7.443 26.691 -21.079) 34.816 10.975 ( 32.510 24.856 3.223) 41.049 11.294 ( 21.016 13.896 -25.740) 36.018 13.306 ( 20.233 20.461 26.872) 39.372 13.864 ( 21.455 15.619 -25.927) 37.101 14.653 ( 3.247 4.650 11.521) 12.842 14.848 ( -2.859 4.372 -6.128) 8.052 15.887 ( 2.916 13.065 11.239) 17.479 16.093 ( 3.598 12.661 -8.662) 15.757 16.738 ( -4.442 -12.668 5.261) 14.418 16.832 ( -3.972 -6.688 -3.737) 8.629 17.909 ( -5.709 3.210 27.910) 28.668 18.170 ( 22.689 23.516 14.674) 35.821 18.688 ( -11.032 7.911 -14.360) 19.761 19.031 ( 32.635 25.340 -32.676) 52.677 20.367 ( 18.989 8.055 7.557) 21.967 20.584 ( 15.651 6.141 -12.934) 21.212 21.782 ( 34.227 15.723 15.755) 40.828 22.072 ( 34.463 14.853 -11.879) 39.362 23.507 ( 17.905 8.838 27.285) 33.811 24.081 ( 19.586 9.281 -28.408) 35.732 27.223 ( -14.672 -15.313 44.565) 49.353 27.996 ( -9.046 -0.356 0.623) 9.074 28.010 ( -9.149 -0.526 -1.196) 9.242 28.083 ( -18.299 -18.340 -37.124) 45.270 30.613 ( -24.723 -24.131 2.784) 34.659 30.651 ( -26.138 -25.444 -0.918) 36.489======================= Grid point 871 (107/132) =======================q-point: ( 0.40 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.501 ( 2.022 -5.675 68.125) 68.391 6.637 ( 10.920 1.277 -39.883) 41.370 9.975 ( 0.289 24.328 16.384) 29.332 10.359 ( 0.953 21.203 -20.564) 29.552 11.692 ( 22.522 15.895 -4.713) 27.967 11.786 ( 19.069 13.838 -12.336) 26.595 13.791 ( 13.708 15.138 24.562) 31.943 14.292 ( 14.669 4.612 -21.497) 26.430 14.675 ( -3.486 1.982 7.092) 8.147 14.804 ( -7.711 8.239 -6.548) 13.047 16.045 ( -0.616 13.603 9.704) 16.721 16.212 ( -3.022 9.385 -6.466) 11.790 16.551 ( -0.712 -13.500 11.577) 17.798 16.735 ( -1.101 -3.051 -5.811) 6.655 17.691 ( -18.626 9.883 26.597) 33.941 18.364 ( -10.284 2.406 -37.424) 38.886 18.835 ( 7.708 14.364 34.650) 38.293 19.621 ( 11.588 12.160 -38.897) 42.368 20.784 ( 19.473 6.612 2.439) 20.709 20.856 ( 13.179 3.499 -4.134) 14.248 22.543 ( 31.433 11.351 21.421) 39.696 22.910 ( 36.741 13.829 -13.598) 41.545 23.942 ( 19.799 9.028 30.390) 37.377 24.537 ( 20.520 8.746 -27.265) 35.227 26.879 ( -7.251 -12.103 35.474) 38.177 27.604 ( -13.467 -17.202 -33.257) 39.790 27.858 ( -7.184 1.681 0.957) 7.440 27.882 ( -7.062 1.831 -1.473) 7.443 29.909 ( -24.908 -24.401 3.456) 35.040 29.955 ( -23.153 -23.197 -1.167) 32.795======================= Grid point 872 (108/132) =======================q-point: ( 0.45 0.05 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.486 ( 2.492 -5.053 75.027) 75.238 6.782 ( 5.099 -1.188 -48.287) 48.570 10.139 ( -6.263 18.777 15.604) 25.205 10.511 ( -5.301 16.567 -20.224) 26.676 12.047 ( 6.860 5.740 -0.827) 8.983 12.180 ( 8.698 7.470 -11.223) 16.044 14.076 ( 3.439 9.719 22.293) 24.562 14.467 ( 6.341 -4.251 -10.296) 12.817 14.609 ( -4.640 1.237 3.814) 6.132 14.785 ( -5.860 11.111 -16.757) 20.942 16.124 ( -3.020 7.504 6.479) 10.363 16.218 ( -4.730 8.569 -2.277) 10.049 16.452 ( 2.144 -8.690 17.559) 19.709 16.718 ( -0.241 0.500 -7.683) 7.703 17.526 ( -15.644 18.268 25.646) 35.160 18.229 ( -7.783 5.719 -39.887) 41.039 18.997 ( -0.073 6.407 34.224) 34.818 19.780 ( -0.055 4.985 -38.504) 38.825 21.077 ( 7.554 -0.091 -0.577) 7.577 21.100 ( 9.537 1.078 -3.633) 10.262 23.039 ( 15.958 0.419 29.035) 33.134 23.465 ( 15.005 1.473 -10.684) 18.479 24.299 ( 11.152 2.281 28.045) 30.266 24.884 ( 9.830 1.967 -26.935) 28.740 26.749 ( 3.118 -8.086 24.514) 26.001 27.304 ( -2.288 -12.110 -28.206) 30.781 27.784 ( -4.425 4.094 1.110) 6.129 27.810 ( -4.408 4.038 -1.286) 6.115 29.363 ( -10.091 -15.067 5.831) 19.049 29.452 ( -8.786 -14.261 -2.955) 17.009======================= Grid point 885 (109/132) =======================q-point: ( 0.10 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.162 ( 10.969 18.998 -0.844) 21.953 5.276 ( 0.808 1.400 -10.352) 10.478 6.336 ( 31.324 54.254 34.186) 71.368 7.118 ( 28.436 49.253 -37.954) 68.374 8.592 ( -4.400 -7.622 71.099) 71.642 9.820 ( 1.745 3.023 -38.446) 38.604 9.888 ( 35.156 60.891 43.872) 82.876 10.782 ( 23.946 41.476 -42.305) 63.902 10.806 ( 27.510 47.648 34.101) 64.730 11.508 ( 32.844 56.887 -38.143) 75.958 13.225 ( 26.946 46.673 -2.824) 53.967 13.256 ( 30.521 52.863 -5.317) 61.273 15.665 ( 4.091 7.086 4.099) 9.152 15.733 ( 5.358 9.280 -2.402) 10.982 16.016 ( 5.953 10.310 3.531) 12.418 16.100 ( 6.147 10.646 -4.364) 13.045 17.219 ( 4.132 7.157 4.889) 9.602 17.315 ( 5.354 9.274 -4.210) 11.507 19.090 ( 6.434 11.144 70.351) 71.518 20.560 ( 2.002 3.467 -66.512) 66.633 21.340 ( 13.684 23.701 -3.196) 27.554 21.353 ( 10.976 19.010 -1.588) 22.008 23.058 ( -18.756 -32.487 2.263) 37.580 23.197 ( -15.833 -27.423 -14.144) 34.681 28.680 ( -2.710 -4.694 1.334) 5.582 28.689 ( -2.258 -3.911 -0.110) 4.518 29.358 ( -12.146 -21.038 59.819) 64.563 30.391 ( -9.569 -16.575 -40.333) 44.644 32.172 ( -3.247 -5.624 17.353) 18.528 32.554 ( -4.132 -7.157 -18.957) 20.681======================= Grid point 886 (110/132) =======================q-point: ( 0.15 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.280 ( 0.276 3.669 5.475) 6.596 5.502 ( 14.388 -1.093 -15.403) 21.106 7.460 ( 28.711 59.371 32.292) 73.430 8.134 ( 27.650 50.739 -20.343) 61.260 8.622 ( 5.200 14.812 55.152) 57.343 9.934 ( 5.479 9.292 -55.252) 56.295 10.945 ( 31.582 32.493 31.909) 55.420 11.565 ( 26.144 29.204 -26.775) 47.469 12.068 ( 44.758 65.257 36.590) 87.182 12.817 ( 41.297 60.745 -36.842) 82.175 14.144 ( 30.774 28.724 4.485) 42.335 14.309 ( 36.496 33.525 -11.026) 50.768 15.813 ( -1.930 23.296 6.603) 24.290 15.927 ( -1.198 28.015 -4.471) 28.395 16.457 ( 27.986 14.624 4.408) 31.883 16.563 ( 30.184 11.978 -5.461) 32.930 17.314 ( 0.901 4.917 6.709) 8.367 17.448 ( 1.782 6.756 -5.895) 9.141 19.202 ( 0.484 1.751 65.624) 65.649 20.455 ( -8.660 -4.727 -49.195) 50.174 21.738 ( 9.510 13.667 -2.306) 16.809 21.753 ( 1.369 13.590 -4.628) 14.422 22.554 ( -5.515 -18.177 5.226) 19.701 22.815 ( -2.088 -8.381 -25.034) 26.482 28.557 ( -5.542 -6.562 7.978) 11.723 28.596 ( -4.295 -3.234 -0.491) 5.398 28.894 ( -15.594 -19.345 52.868) 58.416 29.937 ( -17.141 -23.299 -43.749) 52.447 32.028 ( -5.409 -9.765 15.498) 19.100 32.333 ( -8.611 -14.436 -13.730) 21.704======================= Grid point 887 (111/132) =======================q-point: ( 0.20 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.349 ( 3.588 1.937 17.618) 18.083 5.681 ( 13.202 -8.692 -12.956) 20.438 8.505 ( 20.128 59.627 28.728) 69.180 8.989 ( 22.062 23.429 54.638) 63.411 9.150 ( 16.673 55.336 -32.223) 66.169 10.200 ( 11.728 12.660 -56.347) 58.930 11.766 ( 28.148 27.765 27.283) 48.037 12.317 ( 26.951 26.360 -24.546) 44.986 13.446 ( 38.312 51.019 28.737) 69.975 14.012 ( 30.406 42.622 -25.703) 58.325 14.868 ( 31.758 9.622 12.269) 35.379 15.155 ( 32.220 12.200 -14.555) 37.401 16.139 ( 6.453 34.793 11.812) 37.306 16.383 ( 15.348 42.168 -11.477) 46.319 17.033 ( 10.150 2.317 2.156) 10.632 17.098 ( 8.658 3.389 -3.796) 10.042 17.587 ( 25.876 25.504 8.408) 37.292 17.745 ( 28.052 19.745 -6.143) 34.850 19.211 ( 0.729 2.789 53.000) 53.079 20.226 ( -11.829 -3.008 -40.913) 42.695 21.606 ( -16.049 -2.458 6.440) 17.467 21.792 ( -6.794 -5.093 -11.332) 14.160 22.584 ( 14.537 2.165 13.478) 19.942 23.007 ( 16.950 8.996 -30.718) 36.219 28.265 ( -14.186 -19.053 46.362) 52.093 28.473 ( -6.529 -1.983 -0.954) 6.890 28.526 ( -10.239 -4.944 11.352) 16.067 29.362 ( -19.836 -24.091 -42.322) 52.583 31.757 ( -10.206 -17.044 10.511) 22.475 31.957 ( -13.400 -21.370 -8.614) 26.654======================= Grid point 888 (112/132) =======================q-point: ( 0.25 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.405 ( 3.592 -4.421 31.027) 31.545 5.856 ( 15.441 -4.592 -12.637) 20.475 9.346 ( 10.403 52.263 24.557) 58.674 9.638 ( 19.872 30.642 21.991) 42.632 10.005 ( 17.359 50.949 -17.228) 56.515 10.597 ( 17.187 15.069 -46.403) 51.727 12.508 ( 25.355 25.152 24.428) 43.269 13.032 ( 25.636 21.914 -24.479) 41.673 14.316 ( 15.780 27.363 19.180) 36.954 14.691 ( 11.433 22.212 -14.919) 29.097 15.521 ( 27.008 11.941 9.687) 31.079 15.716 ( 19.615 12.567 -7.560) 24.491 16.745 ( 17.238 26.718 19.507) 37.303 16.983 ( -0.990 -1.360 -1.475) 2.237 17.066 ( -0.226 2.594 3.039) 4.002 17.342 ( 34.521 38.271 -20.546) 55.484 18.384 ( 19.078 19.618 14.589) 31.011 18.545 ( 27.398 26.238 -1.531) 37.966 19.486 ( 25.311 17.295 20.127) 36.672 20.043 ( -4.526 1.686 -28.880) 29.281 21.346 ( -8.116 -1.183 10.010) 12.941 21.602 ( -3.935 -6.081 -14.415) 16.132 22.922 ( 16.404 6.843 20.064) 26.805 23.424 ( 18.292 9.325 -29.803) 36.191 27.779 ( -16.075 -20.905 51.705) 58.042 28.328 ( -8.394 -0.698 -1.550) 8.564 28.339 ( -9.184 -0.553 1.350) 9.299 28.768 ( -19.814 -23.652 -39.447) 50.081 31.320 ( -15.578 -23.980 6.091) 29.237 31.431 ( -18.027 -27.355 -4.503) 33.069======================= Grid point 889 (113/132) =======================q-point: ( 0.30 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.396 ( 3.432 -8.556 47.692) 48.574 6.124 ( 16.750 0.091 -22.610) 28.139 9.943 ( 3.313 42.140 17.559) 45.772 10.229 ( 9.079 32.776 -3.168) 34.157 10.802 ( 20.821 39.728 -6.463) 45.317 11.102 ( 19.188 20.406 -28.708) 40.109 13.157 ( 21.696 20.359 21.300) 36.591 13.641 ( 21.970 14.212 -23.444) 35.132 14.671 ( 3.789 13.720 17.133) 22.275 14.973 ( -0.139 16.822 -10.403) 19.779 15.974 ( 8.215 18.892 9.519) 22.694 16.150 ( 10.384 18.819 -7.387) 22.728 16.711 ( -7.071 -12.035 5.048) 14.843 16.836 ( -4.635 -7.183 -6.506) 10.743 17.741 ( 26.793 24.728 30.138) 47.304 18.175 ( 16.057 19.727 0.166) 25.437 18.806 ( 16.395 24.558 -7.811) 30.543 18.988 ( -0.867 20.436 -15.611) 25.731 20.127 ( 17.361 9.040 3.124) 19.821 20.305 ( 24.996 10.334 -12.730) 29.893 21.425 ( 17.494 7.701 12.701) 22.949 21.688 ( 19.208 4.911 -12.099) 23.226 23.285 ( 16.733 7.762 24.869) 30.963 23.832 ( 18.388 8.071 -28.493) 34.859 27.297 ( -14.512 -20.344 46.726) 52.989 28.151 ( -11.690 -10.321 -17.783) 23.652 28.181 ( -9.459 -0.090 -2.637) 9.820 28.209 ( -15.940 -10.681 -17.340) 25.862 30.732 ( -20.083 -29.174 2.976) 35.544 30.778 ( -21.612 -31.433 -1.490) 38.176======================= Grid point 890 (114/132) =======================q-point: ( 0.35 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.368 ( 3.935 -9.121 63.089) 63.867 6.416 ( 14.818 1.034 -36.894) 39.772 10.329 ( -3.446 34.620 13.245) 37.227 10.616 ( 0.588 27.439 -14.171) 30.888 11.511 ( 20.323 25.231 -3.728) 32.612 11.664 ( 16.033 28.045 -13.833) 35.141 13.675 ( 17.135 13.913 17.135) 27.942 14.071 ( 15.817 4.221 -18.372) 24.607 14.791 ( -3.021 9.913 15.828) 18.918 15.057 ( -7.580 14.037 -10.446) 19.068 16.234 ( -0.851 17.706 8.345) 19.592 16.346 ( -5.118 0.150 0.991) 5.215 16.535 ( -1.877 6.916 5.328) 8.930 16.762 ( -1.529 5.280 -10.365) 11.733 18.015 ( -5.025 6.891 24.411) 25.858 18.513 ( -1.018 9.227 -15.965) 18.468 18.994 ( -2.481 22.507 14.079) 26.664 19.548 ( 16.802 24.615 -30.158) 42.400 20.485 ( 19.344 3.900 5.644) 20.525 20.650 ( 12.119 0.941 -10.247) 15.898 22.055 ( 35.016 10.018 16.622) 40.035 22.348 ( 39.720 11.269 -11.449) 42.846 23.683 ( 19.099 8.230 28.134) 34.986 24.251 ( 20.485 7.187 -27.048) 34.682 26.874 ( -10.120 -18.778 39.004) 44.456 27.641 ( -14.765 -24.161 -34.225) 44.420 28.031 ( -9.042 3.625 1.019) 9.795 28.053 ( -8.781 3.794 -1.107) 9.629 30.038 ( -22.362 -31.933 2.461) 39.062 30.071 ( -21.278 -31.029 -0.760) 37.632======================= Grid point 891 (115/132) =======================q-point: ( 0.40 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.352 ( 4.457 -8.705 73.816) 74.461 6.639 ( 9.679 -0.762 -48.835) 49.790 10.538 ( -9.176 28.967 11.696) 32.559 10.823 ( -5.187 21.903 -16.920) 28.159 11.992 ( 10.452 15.732 2.212) 19.017 12.174 ( 7.985 25.384 -10.328) 28.544 14.040 ( 11.380 7.947 11.622) 18.104 14.289 ( 9.330 -3.392 -9.108) 13.473 14.774 ( -8.417 7.119 10.570) 15.273 15.025 ( -8.346 9.434 -13.872) 18.737 16.135 ( -3.528 -9.700 17.872) 20.638 16.383 ( -2.610 11.256 -1.908) 11.711 16.618 ( -7.805 20.756 6.892) 23.221 16.851 ( -5.424 19.222 -10.991) 22.797 17.966 ( -11.432 15.595 15.759) 24.944 18.421 ( -9.052 2.264 -28.322) 29.819 19.164 ( -5.275 18.380 30.006) 35.581 19.864 ( 0.354 11.989 -34.391) 36.422 20.871 ( 17.712 2.041 -1.520) 17.893 20.886 ( 13.189 -0.739 -2.064) 13.370 22.662 ( 25.998 -0.123 25.854) 36.665 23.082 ( 30.461 2.937 -14.316) 33.785 24.080 ( 16.507 4.171 29.713) 34.246 24.662 ( 17.727 3.111 -26.447) 31.990 26.599 ( -0.507 -15.222 28.512) 32.325 27.208 ( -6.553 -21.381 -29.383) 36.925 27.937 ( -6.940 5.753 1.191) 9.093 27.962 ( -6.822 5.630 -1.148) 8.919 29.380 ( -15.479 -26.727 4.598) 31.226 29.451 ( -13.791 -25.553 -2.415) 29.138======================= Grid point 892 (116/132) =======================q-point: ( 0.45 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.347 ( 4.831 -8.368 77.666) 78.264 6.723 ( 2.570 -4.451 -53.464) 53.710 10.604 ( -14.473 25.068 11.350) 31.092 10.888 ( -10.388 17.992 -17.309) 27.041 12.172 ( -4.411 7.640 5.572) 10.434 12.382 ( -8.634 14.954 -9.745) 19.828 14.194 ( -0.157 0.272 8.202) 8.208 14.360 ( 3.875 -6.712 -6.001) 9.802 14.704 ( -4.786 8.290 9.093) 13.202 14.993 ( -4.506 7.804 -16.155) 18.498 16.052 ( 3.076 -5.328 24.268) 25.036 16.415 ( -4.276 7.405 -8.057) 11.749 16.659 ( -13.537 23.447 10.992) 29.220 16.905 ( -11.486 19.894 -10.982) 25.462 17.946 ( -12.269 21.250 11.862) 27.254 18.344 ( -2.382 4.125 -27.948) 28.351 19.202 ( -8.470 14.670 31.150) 35.458 19.912 ( -4.749 8.225 -34.699) 35.975 21.011 ( 3.732 -6.465 -0.030) 7.465 21.050 ( 3.408 -5.903 -5.021) 8.466 22.905 ( 7.691 -13.321 31.253) 34.833 23.375 ( 6.106 -10.576 -13.345) 18.090 24.263 ( 3.130 -5.421 28.519) 29.197 24.846 ( 3.348 -5.799 -26.788) 27.612 26.531 ( 7.307 -12.656 21.883) 26.314 27.032 ( 8.137 -14.093 -25.950) 30.631 27.905 ( -4.241 7.345 1.293) 8.579 27.931 ( -4.218 7.306 -1.133) 8.512 29.080 ( 7.126 -12.343 6.057) 15.486 29.177 ( 7.119 -12.331 -3.503) 14.663======================= Grid point 907 (117/132) =======================q-point: ( 0.15 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.377 ( 3.307 5.729 3.184) 7.341 5.455 ( -1.467 -2.541 -1.853) 3.471 8.662 ( 33.138 57.396 28.866) 72.288 8.908 ( 15.735 27.253 55.484) 63.787 9.317 ( 28.556 49.460 -29.296) 64.187 10.165 ( 7.777 13.470 -56.804) 58.895 11.630 ( 19.814 34.318 26.524) 47.685 12.191 ( 18.178 31.485 -26.086) 44.746 13.392 ( 36.155 62.622 31.968) 79.061 14.000 ( 30.729 53.224 -26.845) 67.065 14.606 ( 10.802 18.709 9.999) 23.805 14.878 ( 13.820 23.937 -15.492) 31.685 16.318 ( 14.874 25.762 13.648) 32.729 16.535 ( 17.493 30.299 -6.599) 35.603 16.926 ( 14.138 24.487 -3.614) 28.506 16.933 ( 8.961 15.521 -3.425) 18.247 17.507 ( 13.144 22.765 5.393) 26.835 17.595 ( 7.954 13.778 -2.583) 16.117 19.223 ( 0.807 1.397 56.813) 56.836 20.325 ( -4.484 -7.766 -45.935) 46.802 21.787 ( -5.723 -9.912 0.890) 11.480 21.822 ( -4.364 -7.558 -2.649) 9.121 22.432 ( 5.287 9.157 14.274) 17.764 22.889 ( 8.044 13.932 -33.421) 37.091 28.292 ( -11.731 -20.319 45.076) 50.817 28.524 ( -2.289 -3.964 -1.453) 4.803 28.596 ( -5.034 -8.718 13.234) 16.628 29.416 ( -15.797 -27.362 -42.005) 52.560 31.756 ( -9.918 -17.178 10.764) 22.568 31.962 ( -12.711 -22.016 -8.930) 26.944======================= Grid point 908 (118/132) =======================q-point: ( 0.20 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.353 ( -2.705 -4.233 18.594) 19.260 5.582 ( 12.081 2.150 -5.232) 13.339 9.486 ( 18.348 28.135 38.091) 50.786 9.747 ( 21.699 57.840 25.736) 66.922 10.288 ( 18.518 53.868 -25.672) 62.480 10.489 ( 13.369 16.434 -48.911) 53.302 12.318 ( 22.953 26.045 20.366) 40.249 12.815 ( 21.394 21.692 -25.365) 39.644 14.457 ( 13.296 47.467 22.219) 54.070 14.813 ( 11.860 31.093 -4.767) 33.618 15.107 ( 28.302 20.973 4.433) 35.503 15.399 ( 27.693 12.817 -16.107) 34.505 16.829 ( 4.582 19.765 17.570) 26.839 17.001 ( -1.479 -1.296 -1.033) 2.221 17.057 ( 9.675 13.603 3.082) 16.975 17.301 ( 16.395 34.624 -17.308) 42.038 18.191 ( 26.083 29.723 8.941) 40.543 18.301 ( 31.580 34.922 -2.287) 47.139 19.340 ( 9.325 11.236 37.056) 39.829 20.161 ( -6.754 -3.241 -38.299) 39.025 21.505 ( -11.903 -6.791 3.576) 14.163 21.614 ( -5.739 -10.231 -7.154) 13.740 22.737 ( 13.379 11.398 19.594) 26.321 23.243 ( 13.932 13.310 -31.246) 36.709 27.823 ( -14.632 -23.349 51.818) 58.689 28.430 ( -4.723 -2.788 -3.851) 6.702 28.459 ( -5.382 -2.568 2.554) 6.487 28.845 ( -17.485 -26.153 -37.537) 48.977 31.327 ( -14.294 -25.140 6.224) 29.581 31.443 ( -16.638 -29.059 -4.809) 33.829======================= Grid point 909 (119/132) =======================q-point: ( 0.25 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.266 ( 0.566 -8.538 39.184) 40.107 5.856 ( 14.801 4.253 -18.412) 24.003 10.087 ( 17.384 26.004 20.354) 37.319 10.528 ( 4.857 45.371 4.487) 45.850 10.896 ( 15.162 29.795 -19.463) 38.684 11.164 ( 14.290 50.180 -19.074) 55.552 12.949 ( 22.539 18.357 14.324) 32.406 13.371 ( 22.321 11.319 -23.257) 34.164 14.840 ( -1.597 22.975 21.923) 31.796 15.209 ( -0.636 26.252 -11.100) 28.510 15.878 ( 27.748 23.935 8.174) 37.546 16.062 ( 23.093 22.251 -7.737) 32.989 16.737 ( -7.548 -8.769 3.434) 12.069 16.845 ( -4.933 -8.293 -6.369) 11.562 17.669 ( 16.568 35.948 23.482) 46.023 18.023 ( 22.582 26.293 -4.264) 34.921 18.815 ( 15.113 25.571 7.826) 30.717 19.071 ( 17.303 24.007 -10.064) 31.257 19.875 ( 27.863 19.274 4.574) 34.187 20.098 ( 2.911 3.446 -17.622) 18.191 21.337 ( -0.814 0.846 5.767) 5.886 21.502 ( 4.021 -2.986 -9.876) 11.074 23.090 ( 14.569 9.536 23.237) 29.037 23.617 ( 15.310 9.510 -28.635) 33.835 27.327 ( -14.356 -23.349 47.758) 55.064 28.196 ( -14.460 -23.361 -32.800) 42.786 28.340 ( -7.034 0.621 1.224) 7.167 28.384 ( -9.969 -3.067 -5.683) 11.878 30.751 ( -17.980 -31.767 2.767) 36.607 30.796 ( -19.486 -34.727 -1.644) 39.854======================= Grid point 910 (120/132) =======================q-point: ( 0.30 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.204 ( 2.976 -9.758 57.815) 58.708 6.168 ( 15.192 4.051 -34.548) 37.957 10.587 ( 10.226 23.232 8.508) 26.771 10.903 ( -0.557 26.666 -15.120) 30.659 11.514 ( 12.996 37.761 9.014) 40.939 11.871 ( 8.384 49.629 -15.056) 52.536 13.470 ( 19.429 11.080 10.383) 24.658 13.813 ( 18.320 4.093 -18.631) 26.448 14.984 ( -3.904 15.441 23.135) 28.088 15.336 ( -7.612 13.202 -10.843) 18.703 16.364 ( -1.540 3.804 1.872) 4.511 16.462 ( -3.205 7.597 -2.394) 8.586 16.627 ( 8.846 18.735 6.869) 21.828 16.885 ( 5.326 21.195 -12.234) 25.045 18.084 ( 2.886 12.428 29.069) 31.746 18.572 ( 10.895 16.626 -8.830) 21.751 19.241 ( 2.756 23.235 4.166) 23.766 19.562 ( 14.619 29.879 -18.836) 38.226 20.232 ( 11.368 2.103 6.063) 13.055 20.448 ( 14.448 3.987 -14.353) 20.752 21.594 ( 24.721 7.904 11.458) 28.370 21.816 ( 29.101 6.688 -9.500) 31.335 23.452 ( 16.332 8.496 25.367) 31.343 23.983 ( 17.278 6.507 -26.340) 32.167 26.857 ( -11.992 -22.588 40.869) 48.211 27.639 ( -15.617 -28.437 -33.943) 46.954 28.227 ( -8.168 3.637 1.195) 9.021 28.251 ( -8.444 4.002 -1.114) 9.411 30.060 ( -20.364 -36.779 1.717) 42.075 30.083 ( -19.404 -35.949 -0.608) 40.856======================= Grid point 911 (121/132) =======================q-point: ( 0.35 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.171 ( 4.583 -9.917 72.175) 72.997 6.446 ( 12.181 1.965 -49.509) 51.023 10.910 ( 0.731 21.710 3.042) 21.934 11.096 ( -3.297 18.753 -13.912) 23.582 12.066 ( 7.428 33.466 16.190) 37.911 12.460 ( 2.539 45.847 -14.229) 48.071 13.860 ( 15.533 5.254 6.682) 17.707 14.082 ( 10.816 -1.612 -9.989) 14.810 15.001 ( -7.832 7.366 16.438) 19.642 15.234 ( -9.784 -0.306 -6.511) 11.756 16.178 ( -7.780 -2.911 9.495) 12.615 16.519 ( -2.019 9.149 -14.510) 17.272 17.004 ( -1.856 34.319 9.271) 35.598 17.235 ( -3.238 35.457 -11.096) 37.294 18.186 ( -1.465 10.500 20.821) 23.365 18.643 ( -10.545 5.907 -21.431) 24.605 19.501 ( -5.043 25.457 21.141) 33.473 19.991 ( 4.010 17.456 -20.505) 27.226 20.551 ( 20.405 3.466 -0.004) 20.697 20.640 ( 11.268 -1.222 -8.771) 14.332 22.160 ( 29.408 -0.246 20.033) 35.583 22.500 ( 37.228 3.339 -12.692) 39.473 23.829 ( 17.103 5.897 26.533) 32.113 24.357 ( 19.143 2.736 -24.659) 31.337 26.474 ( -5.819 -20.075 31.269) 37.611 27.110 ( -10.861 -27.697 -29.248) 41.720 28.132 ( -7.975 5.855 1.097) 9.954 28.154 ( -8.124 5.564 -0.910) 9.889 29.353 ( -16.698 -34.283 3.431) 38.288 29.411 ( -15.433 -33.047 -2.091) 36.532======================= Grid point 912 (122/132) =======================q-point: ( 0.40 0.15 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.160 ( 5.408 -9.830 80.067) 80.849 6.612 ( 6.017 -1.743 -58.661) 58.995 11.064 ( -7.894 21.198 0.940) 22.640 11.178 ( -5.378 12.876 -11.316) 17.966 12.410 ( -4.251 26.127 19.979) 33.164 12.838 ( -10.557 39.130 -13.818) 42.820 14.108 ( 8.412 -0.685 1.198) 8.525 14.189 ( 7.119 -6.229 -3.540) 10.100 14.888 ( -8.082 2.623 8.444) 11.979 15.068 ( -3.296 -5.174 -0.522) 6.157 16.087 ( -5.242 6.135 14.541) 16.630 16.566 ( -3.916 9.484 -19.250) 21.814 17.222 ( -14.105 35.484 10.371) 39.568 17.439 ( -14.221 34.557 -11.088) 38.979 18.293 ( -1.478 15.978 6.400) 17.275 18.471 ( -13.188 4.865 -10.885) 17.779 19.575 ( -11.422 21.435 21.926) 32.721 20.107 ( -4.814 11.368 -25.441) 28.278 20.821 ( 10.383 -5.666 0.243) 11.831 20.873 ( 11.348 -1.522 -6.639) 13.235 22.528 ( 18.736 -12.996 30.934) 38.430 23.028 ( 21.946 -8.365 -17.307) 29.174 24.108 ( 9.784 -1.219 27.532) 29.244 24.648 ( 12.652 -4.801 -24.550) 28.033 26.274 ( 4.137 -16.182 21.543) 27.260 26.754 ( 1.582 -22.722 -24.151) 33.198 28.068 ( -6.041 6.346 1.127) 8.834 28.088 ( -5.579 6.017 -0.762) 8.241 28.866 ( -2.851 -22.583 5.200) 23.349 28.957 ( -1.735 -21.978 -3.512) 22.324======================= Grid point 928 (123/132) =======================q-point: ( 0.20 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.217 ( -4.105 -7.109 35.217) 36.161 5.739 ( 6.506 11.269 -16.242) 20.812 10.053 ( 15.898 27.536 23.580) 39.586 10.711 ( 13.458 23.310 -24.757) 36.571 10.955 ( 24.763 42.891 6.532) 49.955 11.329 ( 26.435 45.787 -12.780) 54.393 12.830 ( 14.289 24.749 7.815) 29.627 13.195 ( 9.427 16.328 -23.014) 29.751 15.059 ( 5.922 10.257 23.628) 26.431 15.375 ( 14.263 24.704 1.774) 28.581 15.713 ( 18.178 31.486 -2.597) 36.449 15.885 ( 22.937 39.728 -11.581) 47.313 16.770 ( -4.402 -7.625 1.757) 8.978 16.839 ( -6.167 -10.682 -4.168) 13.019 17.754 ( 22.120 38.313 17.568) 47.601 17.958 ( 14.171 24.544 3.285) 28.531 18.798 ( 17.956 31.101 4.973) 36.255 18.999 ( 17.463 30.246 -8.749) 36.004 19.710 ( 14.234 24.655 13.754) 31.617 20.116 ( -0.219 -0.379 -25.155) 25.158 21.376 ( -2.380 -4.122 1.390) 4.958 21.449 ( -2.664 -4.614 -6.466) 8.379 23.003 ( 8.179 14.167 22.735) 28.008 23.524 ( 8.063 13.965 -28.816) 33.021 27.334 ( -14.119 -24.455 48.043) 55.727 28.203 ( -14.560 -25.218 -33.615) 44.474 28.410 ( -1.336 -2.314 1.716) 3.176 28.461 ( -3.345 -5.795 -5.064) 8.391 30.744 ( -18.438 -31.936 2.558) 36.965 30.787 ( -20.264 -35.098 -1.594) 40.559======================= Grid point 929 (124/132) =======================q-point: ( 0.25 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.092 ( -1.138 -7.999 54.230) 54.829 6.001 ( 10.645 9.343 -33.013) 35.923 10.582 ( 14.315 22.882 11.377) 29.291 11.040 ( 6.768 14.858 -31.135) 35.156 11.809 ( 12.137 50.643 23.812) 57.263 12.164 ( 17.565 43.938 -2.714) 47.397 13.307 ( 13.009 18.631 -3.998) 23.072 13.530 ( 17.447 5.737 -18.524) 26.085 15.194 ( -2.182 10.811 25.848) 28.102 15.547 ( -4.844 3.714 -7.675) 9.806 16.404 ( 0.481 3.592 -2.348) 4.319 16.488 ( 15.554 19.198 -7.631) 25.860 16.695 ( 3.714 18.760 7.249) 20.452 16.918 ( 18.442 26.729 -10.262) 34.056 18.236 ( -0.144 17.928 25.069) 30.820 18.498 ( 19.282 23.481 5.237) 30.831 19.388 ( 8.123 27.557 -4.116) 29.023 19.533 ( 19.635 22.621 -13.560) 32.880 20.150 ( 2.224 2.922 -0.496) 3.705 20.231 ( 17.462 13.642 -5.859) 22.921 21.406 ( 5.789 6.252 2.684) 8.933 21.504 ( 11.988 3.398 -6.941) 14.263 23.303 ( 11.211 11.231 23.534) 28.384 23.805 ( 10.792 8.861 -25.667) 29.219 26.842 ( -13.344 -23.987 41.599) 49.839 27.624 ( -16.757 -29.986 -33.364) 47.886 28.363 ( -3.539 1.477 1.636) 4.169 28.397 ( -3.804 1.659 -1.538) 4.426 30.035 ( -21.323 -38.947 1.066) 44.415 30.050 ( -19.881 -37.083 -0.359) 42.077======================= Grid point 930 (125/132) =======================q-point: ( 0.30 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1002Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.015 ( 1.812 -8.574 70.738) 71.279 6.278 ( 10.999 6.412 -49.958) 51.555 11.000 ( 9.017 18.202 2.842) 20.511 11.265 ( 2.719 12.579 -22.401) 25.835 12.412 ( 2.098 45.842 29.125) 54.352 12.857 ( 10.157 43.844 -3.697) 45.157 13.654 ( 12.684 7.442 -0.814) 14.729 13.891 ( 13.280 6.586 -16.471) 22.159 15.180 ( -7.063 1.733 20.680) 21.921 15.367 ( -10.504 -8.753 -2.336) 13.871 16.271 ( -4.411 -3.102 1.151) 5.514 16.643 ( -0.599 9.715 -27.700) 29.360 17.314 ( 11.030 41.232 15.052) 45.258 17.579 ( 10.296 40.429 -10.571) 43.038 18.365 ( -3.362 17.105 26.818) 31.986 18.846 ( -0.781 12.419 -16.672) 20.804 19.766 ( 6.256 25.517 13.586) 29.578 20.017 ( 8.066 10.507 -6.057) 14.565 20.279 ( 13.294 4.916 4.363) 14.830 20.533 ( 6.353 7.541 -18.361) 20.841 21.704 ( 20.163 1.885 11.990) 23.534 21.927 ( 29.192 3.939 -9.495) 30.949 23.624 ( 13.637 8.311 22.394) 27.505 24.086 ( 13.943 3.281 -22.420) 26.605 26.397 ( -9.816 -22.125 32.530) 40.547 27.035 ( -14.486 -30.456 -28.286) 44.017 28.314 ( -5.757 4.625 1.372) 7.511 28.341 ( -6.434 4.467 -1.205) 7.925 29.281 ( -17.829 -38.459 2.843) 42.486 29.335 ( -17.047 -36.993 -2.189) 40.790======================= Grid point 931 (126/132) =======================q-point: ( 0.35 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.978 ( 3.880 -8.880 82.015) 82.586 6.492 ( 7.530 2.356 -62.867) 63.360 11.265 ( 2.398 14.520 -2.670) 14.957 11.385 ( -2.733 10.897 -14.197) 18.105 12.835 ( -3.947 39.387 34.073) 52.229 13.399 ( 0.884 42.068 -8.481) 42.924 13.915 ( 11.761 0.079 1.533) 11.861 14.069 ( 1.273 3.542 -9.941) 10.630 15.014 ( -7.424 -5.495 13.585) 16.427 15.072 ( -8.943 -11.823 2.369) 15.013 16.244 ( -1.850 6.622 0.340) 6.884 16.710 ( -1.870 6.877 -33.045) 33.805 17.794 ( -4.365 41.085 12.126) 43.059 18.008 ( -7.162 36.693 -8.509) 38.342 18.504 ( -4.233 23.668 18.652) 30.431 18.832 ( -13.256 14.277 -12.196) 22.985 19.974 ( -8.215 19.304 13.530) 24.964 20.192 ( 7.092 2.245 -3.355) 8.161 20.564 ( 12.574 -1.856 1.528) 12.802 20.731 ( 6.023 10.438 -16.850) 20.716 22.032 ( 21.039 -12.183 26.221) 35.758 22.479 ( 30.116 -5.528 -16.565) 34.813 23.921 ( 11.841 3.379 20.935) 24.288 24.343 ( 14.849 -4.534 -19.741) 25.115 26.080 ( -2.065 -18.094 21.372) 28.079 26.536 ( -6.649 -28.143 -21.933) 36.294 28.240 ( -8.067 2.725 0.493) 8.528 28.246 ( -7.661 2.035 -0.002) 7.927 28.708 ( -7.119 -26.605 3.863) 27.811 28.783 ( -6.155 -26.203 -3.289) 27.116======================= Grid point 932 (127/132) =======================q-point: ( 0.40 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.967 ( 5.044 -8.736 86.033) 86.623 6.573 ( 1.180 -2.044 -67.761) 67.802 11.380 ( -4.966 8.602 -6.946) 12.120 11.396 ( -6.620 11.467 -8.476) 15.721 13.016 ( -18.069 31.296 37.590) 52.143 13.654 ( -19.764 34.232 -9.846) 40.736 14.032 ( 5.036 -8.722 -0.690) 10.095 14.069 ( -1.061 1.838 -9.979) 10.202 14.893 ( 0.473 -0.820 2.913) 3.063 14.917 ( 4.300 -7.447 17.559) 19.552 16.275 ( -5.199 9.005 -3.096) 10.849 16.724 ( -1.994 3.454 -34.190) 34.422 17.977 ( -21.246 36.799 9.433) 43.527 18.108 ( -16.269 28.179 -4.681) 32.874 18.633 ( -13.093 22.678 8.691) 27.590 18.749 ( -12.215 21.157 -2.111) 24.521 19.990 ( -10.162 17.601 12.103) 23.655 20.261 ( -0.680 1.178 -10.379) 10.468 20.670 ( 4.577 -7.927 4.744) 10.310 20.854 ( -0.895 1.550 -15.247) 15.351 22.159 ( 12.787 -22.148 34.872) 43.244 22.739 ( 11.398 -19.741 -20.903) 30.928 24.052 ( 2.053 -3.555 20.635) 21.039 24.462 ( 7.570 -13.112 -18.611) 23.992 25.972 ( 7.392 -12.804 14.716) 20.860 26.314 ( 11.346 -19.651 -17.783) 28.830 28.148 ( 0.099 -0.172 1.079) 1.097 28.164 ( -0.082 0.141 -0.511) 0.536 28.522 ( 5.384 -9.325 4.515) 11.676 28.611 ( 6.140 -10.634 -3.862) 12.872======================= Grid point 950 (128/132) =======================q-point: ( 0.25 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.953 ( -3.261 -5.648 70.163) 70.465 6.211 ( 6.192 10.725 -50.095) 51.603 11.010 ( 10.904 18.887 3.385) 22.070 11.298 ( 6.270 10.860 -24.287) 27.333 12.745 ( 22.191 38.435 28.236) 52.602 12.889 ( 17.029 29.495 18.734) 38.871 13.614 ( 3.678 6.371 -8.425) 11.185 13.784 ( 13.905 24.084 -28.573) 39.872 15.261 ( -2.354 -4.078 20.708) 21.236 15.416 ( -7.532 -13.046 -1.518) 15.140 16.280 ( -3.225 -5.587 0.985) 6.526 16.706 ( 3.998 6.925 -32.772) 33.734 17.437 ( 23.543 40.777 15.865) 49.687 17.682 ( 22.951 39.752 -8.549) 46.691 18.527 ( 7.783 13.481 26.024) 30.325 18.907 ( 8.968 15.534 -6.618) 19.119 19.843 ( 8.695 15.061 0.478) 17.397 19.961 ( 9.600 16.627 -8.005) 20.801 20.219 ( 4.388 7.601 11.402) 14.388 20.497 ( 7.608 13.178 -12.464) 19.670 21.553 ( 3.577 6.196 4.372) 8.385 21.658 ( 7.278 12.606 -7.325) 16.296 23.542 ( 7.035 12.186 20.546) 24.902 23.973 ( 4.321 7.485 -21.320) 23.005 26.371 ( -12.601 -21.825 32.874) 41.423 27.007 ( -17.445 -30.215 -27.785) 44.601 28.395 ( 0.835 1.446 1.694) 2.378 28.429 ( 0.706 1.223 -1.556) 2.102 29.235 ( -22.174 -38.407 2.785) 44.436 29.290 ( -21.215 -36.745 -2.391) 42.496======================= Grid point 951 (129/132) =======================q-point: ( 0.30 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.863 ( -0.087 -6.198 83.146) 83.377 6.412 ( 6.148 6.367 -65.188) 65.786 11.336 ( 6.374 14.784 -2.501) 16.293 11.481 ( 2.850 9.033 -16.632) 19.140 13.261 ( 0.535 35.027 32.737) 47.947 13.510 ( 18.167 20.007 19.099) 33.092 13.751 ( 7.419 3.246 2.879) 8.595 14.224 ( 4.882 24.135 -23.080) 33.749 15.074 ( -8.523 -9.720 14.806) 19.655 15.133 ( -9.198 -10.134 -9.163) 16.470 16.241 ( 2.996 -1.226 -0.945) 3.372 16.776 ( -1.443 1.063 -41.233) 41.272 18.174 ( 10.260 41.493 14.462) 45.123 18.371 ( 9.166 34.666 -4.493) 36.138 18.835 ( 3.025 29.244 20.040) 35.581 19.141 ( -0.489 16.899 -7.756) 18.600 20.015 ( 7.040 -1.413 6.839) 9.916 20.137 ( 2.578 2.248 -4.986) 6.046 20.491 ( 4.069 18.958 11.253) 22.418 20.762 ( 7.745 10.646 -13.369) 18.763 21.644 ( 8.011 -7.612 17.126) 20.381 21.980 ( 19.309 1.439 -14.459) 24.165 23.790 ( 8.885 8.222 14.423) 18.830 24.103 ( 6.918 -1.837 -15.591) 17.155 25.981 ( -7.686 -18.200 21.574) 29.254 26.423 ( -13.600 -29.116 -20.339) 38.031 28.394 ( -6.415 0.916 0.452) 6.495 28.397 ( -9.992 -3.693 0.205) 10.655 28.567 ( -7.937 -26.749 3.266) 28.092 28.641 ( -9.113 -26.911 -3.557) 28.634======================= Grid point 952 (130/132) =======================q-point: ( 0.35 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 1000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.821 ( 2.431 -6.220 90.424) 90.670 6.536 ( 2.693 1.826 -74.196) 74.268 11.522 ( -0.266 10.700 -6.032) 12.286 11.573 ( -2.221 7.811 -11.242) 13.869 13.565 ( -4.169 28.674 39.972) 49.369 13.798 ( 6.941 -0.263 5.006) 8.562 13.897 ( 0.542 1.584 9.703) 9.847 14.485 ( -2.080 27.370 0.692) 27.458 14.834 ( -6.944 -9.103 22.047) 24.842 14.924 ( -9.106 2.687 -25.765) 27.458 16.347 ( 6.167 2.481 -16.775) 18.044 16.689 ( -1.256 -9.731 -41.580) 42.723 18.589 ( -7.497 34.839 10.883) 37.261 18.671 ( -12.047 31.695 3.138) 34.052 19.163 ( -7.011 35.234 9.315) 37.113 19.248 ( -12.574 26.166 2.729) 29.158 20.116 ( 8.688 -6.955 1.459) 11.225 20.164 ( 2.133 -4.489 -3.531) 6.097 20.639 ( -3.258 10.833 11.836) 16.373 20.941 ( 0.264 8.629 -17.700) 19.693 21.692 ( 13.211 -19.900 34.297) 41.795 22.278 ( 18.571 -13.783 -21.036) 31.263 23.986 ( 4.950 3.495 7.987) 10.025 24.171 ( 8.564 -11.728 -9.532) 17.370 25.767 ( 1.565 -12.069 10.035) 15.773 25.997 ( -1.531 -23.848 -11.843) 26.670 28.062 ( -3.041 -15.955 2.123) 16.381 28.102 ( -4.143 -15.819 -1.653) 16.436 28.474 ( -0.770 1.389 2.070) 2.609 28.521 ( 0.034 -0.824 -2.273) 2.418======================= Grid point 971 (131/132) =======================q-point: ( 0.30 0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 531Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.767 ( -1.869 -3.238 92.054) 92.130 6.520 ( 2.269 3.930 -76.512) 76.647 11.585 ( 5.278 9.142 -6.631) 12.466 11.632 ( 3.211 5.562 -11.140) 12.859 13.677 ( 5.089 8.814 8.996) 13.583 13.713 ( 0.754 1.306 10.021) 10.133 14.018 ( 11.494 19.908 43.013) 48.770 14.512 ( 1.290 2.234 26.592) 26.717 14.851 ( -6.457 -11.183 16.599) 21.030 15.192 ( 8.943 15.490 -54.448) 57.310 16.218 ( 0.396 0.685 -14.002) 14.025 16.658 ( -6.925 -11.995 -44.671) 46.769 18.925 ( 17.077 29.579 7.847) 35.045 18.953 ( 13.200 22.863 5.352) 26.937 19.437 ( 14.595 25.279 11.517) 31.379 19.490 ( 9.121 15.799 7.678) 19.792 19.964 ( -1.666 -2.885 5.647) 6.556 20.081 ( -3.120 -5.403 -4.681) 7.800 20.880 ( 2.308 3.997 -5.095) 6.875 20.882 ( 7.406 12.828 -1.406) 14.879 21.440 ( -5.984 -10.364 29.028) 31.398 21.992 ( -0.021 -0.036 -20.367) 20.367 23.960 ( 4.610 7.984 0.667) 9.244 24.018 ( -3.229 -5.593 -4.827) 8.062 25.686 ( -5.815 -10.072 9.747) 15.175 25.892 ( -12.463 -21.586 -9.962) 26.842 28.003 ( -10.174 -17.621 2.317) 20.479 28.052 ( -10.872 -18.832 -2.270) 21.863 28.496 ( 1.414 2.450 1.170) 3.061 28.522 ( 0.811 1.405 -1.359) 2.117======================= Grid point 972 (132/132) =======================q-point: ( 0.35 0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.734 ( 1.298 -2.249 95.293) 95.328 6.562 ( -0.388 0.673 -80.726) 80.730 11.683 ( -2.556 4.427 -8.052) 9.537 11.692 ( -1.892 3.277 -9.164) 9.914 13.717 ( 1.280 -2.217 11.173) 11.463 13.767 ( 0.997 -1.726 0.841) 2.163 14.209 ( -11.075 19.182 47.059) 52.011 14.614 ( 3.900 -6.755 33.722) 34.612 14.647 ( 2.917 -5.052 29.874) 30.438 15.400 ( -15.209 26.343 -60.388) 67.617 16.352 ( 2.427 -4.203 -33.524) 33.874 16.376 ( 7.879 -13.648 -37.153) 40.357 19.200 ( -14.196 24.588 8.420) 29.614 19.268 ( -12.880 22.309 0.261) 25.761 19.692 ( -7.379 12.780 17.051) 22.550 19.731 ( -5.105 8.842 10.757) 14.830 19.908 ( 4.414 -7.645 3.853) 9.632 19.987 ( 3.976 -6.887 -0.882) 8.001 20.881 ( -6.333 10.969 -2.887) 12.991 21.038 ( 0.261 -0.453 -16.943) 16.951 21.320 ( 7.419 -12.850 41.348) 43.930 21.991 ( 6.191 -10.723 -22.306) 25.512 23.944 ( 4.455 -7.716 2.271) 9.195 24.059 ( -1.579 2.735 -8.694) 9.250 25.601 ( 2.701 -4.679 1.841) 5.708 25.630 ( 5.681 -9.840 -1.040) 11.410 27.825 ( 3.384 -5.862 0.864) 6.824 27.847 ( 4.124 -7.143 -1.154) 8.329 28.523 ( -1.081 1.873 0.638) 2.255 28.538 ( -0.412 0.713 -0.746) 1.111=================== 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 3/60000 10.0 19417.911 19417.911 8760.365 0.000 0.000 -0.000 3/60000 20.0 37146.027 37146.027 19951.203 0.000 0.000 -0.000 3/60000 30.0 8622.004 8622.004 5301.346 0.000 0.000 -0.000 3/60000 40.0 2993.745 2993.745 2083.589 0.000 0.000 -0.000 3/60000 50.0 1411.169 1411.169 1059.617 0.000 0.000 -0.000 3/60000 60.0 791.948 791.948 623.512 0.000 0.000 -0.000 3/60000 70.0 491.547 491.547 403.519 0.000 0.000 -0.000 3/60000 80.0 325.822 325.822 279.213 0.000 0.000 -0.000 3/60000 90.0 227.384 227.384 203.375 0.000 0.000 -0.000 3/60000 100.0 166.037 166.037 154.495 0.000 0.000 -0.000 3/60000 110.0 126.296 126.296 121.593 0.000 0.000 -0.000 3/60000 120.0 99.620 99.620 98.616 0.000 0.000 -0.000 3/60000 130.0 81.103 81.103 82.043 0.000 0.000 -0.000 3/60000 140.0 67.837 67.837 69.742 0.000 0.000 -0.000 3/60000 150.0 58.056 58.056 60.380 0.000 0.000 -0.000 3/60000 160.0 50.650 50.650 53.093 0.000 0.000 -0.000 3/60000 170.0 44.908 44.908 47.308 0.000 0.000 -0.000 3/60000 180.0 40.361 40.361 42.635 0.000 0.000 -0.000 3/60000 190.0 36.689 36.689 38.801 0.000 0.000 -0.000 3/60000 200.0 33.674 33.674 35.612 0.000 0.000 -0.000 3/60000 210.0 31.159 31.159 32.925 0.000 0.000 -0.000 3/60000 220.0 29.033 29.033 30.636 0.000 0.000 -0.000 3/60000 230.0 27.213 27.213 28.666 0.000 0.000 -0.000 3/60000 240.0 25.638 25.638 26.955 0.000 0.000 -0.000 3/60000 250.0 24.261 24.261 25.456 0.000 0.000 -0.000 3/60000 260.0 23.046 23.046 24.132 0.000 0.000 -0.000 3/60000 270.0 21.967 21.967 22.955 0.000 0.000 -0.000 3/60000 280.0 20.999 20.999 21.902 0.000 0.000 -0.000 3/60000 290.0 20.128 20.128 20.953 0.000 0.000 -0.000 3/60000 300.0 19.337 19.337 20.094 0.000 0.000 -0.000 3/60000 310.0 18.616 18.616 19.313 0.000 0.000 -0.000 3/60000 320.0 17.955 17.955 18.598 0.000 0.000 -0.000 3/60000 330.0 17.346 17.346 17.942 0.000 0.000 -0.000 3/60000 340.0 16.784 16.784 17.336 0.000 0.000 -0.000 3/60000 350.0 16.262 16.262 16.776 0.000 0.000 -0.000 3/60000 360.0 15.776 15.776 16.256 0.000 0.000 -0.000 3/60000 370.0 15.322 15.322 15.771 0.000 0.000 -0.000 3/60000 380.0 14.897 14.897 15.318 0.000 0.000 -0.000 3/60000 390.0 14.498 14.498 14.893 0.000 0.000 -0.000 3/60000 400.0 14.122 14.122 14.494 0.000 0.000 -0.000 3/60000 410.0 13.767 13.767 14.118 0.000 0.000 -0.000 3/60000 420.0 13.431 13.431 13.764 0.000 0.000 -0.000 3/60000 430.0 13.113 13.113 13.428 0.000 0.000 -0.000 3/60000 440.0 12.811 12.811 13.110 0.000 0.000 -0.000 3/60000 450.0 12.524 12.524 12.809 0.000 0.000 -0.000 3/60000 460.0 12.250 12.250 12.522 0.000 0.000 -0.000 3/60000 470.0 11.989 11.989 12.248 0.000 0.000 -0.000 3/60000 480.0 11.740 11.740 11.988 0.000 0.000 -0.000 3/60000 490.0 11.502 11.502 11.739 0.000 0.000 -0.000 3/60000 500.0 11.273 11.273 11.501 0.000 0.000 -0.000 3/60000 510.0 11.054 11.054 11.273 0.000 0.000 -0.000 3/60000 520.0 10.844 10.844 11.054 0.000 0.000 -0.000 3/60000 530.0 10.642 10.642 10.844 0.000 0.000 -0.000 3/60000 540.0 10.448 10.448 10.643 0.000 0.000 -0.000 3/60000 550.0 10.261 10.261 10.449 0.000 0.000 -0.000 3/60000 560.0 10.081 10.081 10.263 0.000 0.000 -0.000 3/60000 570.0 9.907 9.907 10.083 0.000 0.000 -0.000 3/60000 580.0 9.740 9.740 9.910 0.000 0.000 -0.000 3/60000 590.0 9.578 9.578 9.743 0.000 0.000 -0.000 3/60000 600.0 9.422 9.422 9.581 0.000 0.000 -0.000 3/60000 610.0 9.271 9.271 9.425 0.000 0.000 -0.000 3/60000 620.0 9.124 9.124 9.275 0.000 0.000 -0.000 3/60000 630.0 8.983 8.983 9.129 0.000 0.000 -0.000 3/60000 640.0 8.846 8.846 8.988 0.000 0.000 -0.000 3/60000 650.0 8.713 8.713 8.851 0.000 0.000 -0.000 3/60000 660.0 8.584 8.584 8.718 0.000 0.000 -0.000 3/60000 670.0 8.459 8.459 8.590 0.000 0.000 -0.000 3/60000 680.0 8.337 8.337 8.465 0.000 0.000 -0.000 3/60000 690.0 8.219 8.219 8.344 0.000 0.000 -0.000 3/60000 700.0 8.105 8.105 8.226 0.000 0.000 -0.000 3/60000 710.0 7.993 7.993 8.112 0.000 0.000 -0.000 3/60000 720.0 7.885 7.885 8.001 0.000 0.000 -0.000 3/60000 730.0 7.779 7.779 7.893 0.000 0.000 -0.000 3/60000 740.0 7.677 7.677 7.788 0.000 0.000 -0.000 3/60000 750.0 7.577 7.577 7.685 0.000 0.000 -0.000 3/60000 760.0 7.479 7.479 7.586 0.000 0.000 -0.000 3/60000 770.0 7.384 7.384 7.489 0.000 0.000 -0.000 3/60000 780.0 7.292 7.292 7.394 0.000 0.000 -0.000 3/60000 790.0 7.202 7.202 7.302 0.000 0.000 -0.000 3/60000 800.0 7.114 7.114 7.212 0.000 0.000 -0.000 3/60000 810.0 7.028 7.028 7.124 0.000 0.000 -0.000 3/60000 820.0 6.944 6.944 7.039 0.000 0.000 -0.000 3/60000 830.0 6.862 6.862 6.955 0.000 0.000 -0.000 3/60000 840.0 6.782 6.782 6.874 0.000 0.000 -0.000 3/60000 850.0 6.704 6.704 6.794 0.000 0.000 -0.000 3/60000 860.0 6.628 6.628 6.716 0.000 0.000 -0.000 3/60000 870.0 6.553 6.553 6.640 0.000 0.000 -0.000 3/60000 880.0 6.480 6.480 6.566 0.000 0.000 -0.000 3/60000 890.0 6.409 6.409 6.493 0.000 0.000 -0.000 3/60000 900.0 6.339 6.339 6.422 0.000 0.000 -0.000 3/60000 910.0 6.271 6.271 6.352 0.000 0.000 -0.000 3/60000 920.0 6.204 6.204 6.284 0.000 0.000 -0.000 3/60000 930.0 6.139 6.139 6.218 0.000 0.000 -0.000 3/60000 940.0 6.075 6.075 6.152 0.000 0.000 -0.000 3/60000 950.0 6.012 6.012 6.089 0.000 0.000 -0.000 3/60000 960.0 5.951 5.951 6.026 0.000 0.000 -0.000 3/60000 970.0 5.891 5.891 5.965 0.000 0.000 -0.000 3/60000 980.0 5.832 5.832 5.905 0.000 0.000 -0.000 3/60000 990.0 5.774 5.774 5.846 0.000 0.000 -0.000 3/60000 1000.0 5.717 5.717 5.788 0.000 0.000 -0.000 3/60000Thermal conductivity related properties were written into "kappa-m20205.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:11:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|