# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/3e66c2cb-472d-4b1b-acc7-b9b531d77947/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 Sr(SbO3)2 / P-31m (162) / materials id 9126](https://mdr.nims.go.jp/datasets/adbd47fa-35e1-413a-a2db-9d100987da53) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:13:19]-------------------------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: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-31m (162)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 5.304190918595847 0.000000000000000 0.000000000000000 b -2.652095459297923 4.593564082026720 0.000000000000000 c 0.000000000000000 0.000000000000000 5.378001630000000Atomic positions (fractional): *1 O 0.37638074838088 0.00000000000000 0.29199510500296 15.999 2 O 0.62361925161912 0.62361925161912 0.29199510500296 15.999 3 O 0.00000000000000 0.37638074838088 0.29199510500296 15.999 4 O 0.37638074838088 0.37638074838088 0.70800489499704 15.999 5 O 0.00000000000000 0.62361925161912 0.70800489499704 15.999 6 O 0.62361925161912 0.00000000000000 0.70800489499704 15.999 *7 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 *8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 9 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.304190918595847 0.000000000000000 0.000000000000000 b -2.652095459297923 4.593564082026720 0.000000000000000 c 0.000000000000000 0.000000000000000 5.378001630000000Atomic positions (fractional): *1 O 0.37638074838088 0.00000000000000 0.29199510500296 15.999 > 1 2 O 0.62361925161912 0.62361925161912 0.29199510500296 15.999 > 2 3 O 0.00000000000000 0.37638074838088 0.29199510500296 15.999 > 3 4 O 0.37638074838088 0.37638074838088 0.70800489499704 15.999 > 4 5 O 0.00000000000000 0.62361925161912 0.70800489499704 15.999 > 5 6 O 0.62361925161912 0.00000000000000 0.70800489499704 15.999 > 6 *7 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 7 *8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 8 9 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 9-------------------------------- super cell --------------------------------Lattice vectors: a 10.608381837191693 0.000000000000000 0.000000000000000 b -5.304190918595846 9.187128164053441 0.000000000000000 c 0.000000000000000 0.000000000000000 10.756003260000000Atomic positions (fractional): *1 O 0.18819037419044 0.00000000000000 0.14599755250148 15.999 > 1 2 O 0.68819037419044 0.00000000000000 0.14599755250148 15.999 > 1 3 O 0.18819037419044 0.50000000000000 0.14599755250148 15.999 > 1 4 O 0.68819037419044 0.50000000000000 0.14599755250148 15.999 > 1 5 O 0.18819037419044 0.00000000000000 0.64599755250148 15.999 > 1 6 O 0.68819037419044 0.00000000000000 0.64599755250148 15.999 > 1 7 O 0.18819037419044 0.50000000000000 0.64599755250148 15.999 > 1 8 O 0.68819037419044 0.50000000000000 0.64599755250148 15.999 > 1 9 O 0.31180962580956 0.31180962580956 0.14599755250148 15.999 > 2 10 O 0.81180962580956 0.31180962580956 0.14599755250148 15.999 > 2 11 O 0.31180962580956 0.81180962580956 0.14599755250148 15.999 > 2 12 O 0.81180962580956 0.81180962580956 0.14599755250148 15.999 > 2 13 O 0.31180962580956 0.31180962580956 0.64599755250148 15.999 > 2 14 O 0.81180962580956 0.31180962580956 0.64599755250148 15.999 > 2 15 O 0.31180962580956 0.81180962580956 0.64599755250148 15.999 > 2 16 O 0.81180962580956 0.81180962580956 0.64599755250148 15.999 > 2 17 O 0.00000000000000 0.18819037419044 0.14599755250148 15.999 > 3 18 O 0.50000000000000 0.18819037419044 0.14599755250148 15.999 > 3 19 O 0.00000000000000 0.68819037419044 0.14599755250148 15.999 > 3 20 O 0.50000000000000 0.68819037419044 0.14599755250148 15.999 > 3 21 O 0.00000000000000 0.18819037419044 0.64599755250148 15.999 > 3 22 O 0.50000000000000 0.18819037419044 0.64599755250148 15.999 > 3 23 O 0.00000000000000 0.68819037419044 0.64599755250148 15.999 > 3 24 O 0.50000000000000 0.68819037419044 0.64599755250148 15.999 > 3 25 O 0.18819037419044 0.18819037419044 0.35400244749852 15.999 > 4 26 O 0.68819037419044 0.18819037419044 0.35400244749852 15.999 > 4 27 O 0.18819037419044 0.68819037419044 0.35400244749852 15.999 > 4 28 O 0.68819037419044 0.68819037419044 0.35400244749852 15.999 > 4 29 O 0.18819037419044 0.18819037419044 0.85400244749852 15.999 > 4 30 O 0.68819037419044 0.18819037419044 0.85400244749852 15.999 > 4 31 O 0.18819037419044 0.68819037419044 0.85400244749852 15.999 > 4 32 O 0.68819037419044 0.68819037419044 0.85400244749852 15.999 > 4 33 O 0.00000000000000 0.31180962580956 0.35400244749852 15.999 > 5 34 O 0.50000000000000 0.31180962580956 0.35400244749852 15.999 > 5 35 O 0.00000000000000 0.81180962580956 0.35400244749852 15.999 > 5 36 O 0.50000000000000 0.81180962580956 0.35400244749852 15.999 > 5 37 O 0.00000000000000 0.31180962580956 0.85400244749852 15.999 > 5 38 O 0.50000000000000 0.31180962580956 0.85400244749852 15.999 > 5 39 O 0.00000000000000 0.81180962580956 0.85400244749852 15.999 > 5 40 O 0.50000000000000 0.81180962580956 0.85400244749852 15.999 > 5 41 O 0.31180962580956 0.00000000000000 0.35400244749852 15.999 > 6 42 O 0.81180962580956 0.00000000000000 0.35400244749852 15.999 > 6 43 O 0.31180962580956 0.50000000000000 0.35400244749852 15.999 > 6 44 O 0.81180962580956 0.50000000000000 0.35400244749852 15.999 > 6 45 O 0.31180962580956 0.00000000000000 0.85400244749852 15.999 > 6 46 O 0.81180962580956 0.00000000000000 0.85400244749852 15.999 > 6 47 O 0.31180962580956 0.50000000000000 0.85400244749852 15.999 > 6 48 O 0.81180962580956 0.50000000000000 0.85400244749852 15.999 > 6 *49 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 7 50 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 7 51 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 7 52 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 7 53 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 7 54 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 7 55 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 7 56 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 7 *57 Sb 0.16666666666667 0.33333333333333 0.25000000000000 121.760 > 8 58 Sb 0.66666666666667 0.33333333333333 0.25000000000000 121.760 > 8 59 Sb 0.16666666666667 0.83333333333333 0.25000000000000 121.760 > 8 60 Sb 0.66666666666667 0.83333333333333 0.25000000000000 121.760 > 8 61 Sb 0.16666666666667 0.33333333333333 0.75000000000000 121.760 > 8 62 Sb 0.66666666666667 0.33333333333333 0.75000000000000 121.760 > 8 63 Sb 0.16666666666667 0.83333333333333 0.75000000000000 121.760 > 8 64 Sb 0.66666666666667 0.83333333333333 0.75000000000000 121.760 > 8 65 Sb 0.33333333333333 0.16666666666667 0.25000000000000 121.760 > 9 66 Sb 0.83333333333333 0.16666666666667 0.25000000000000 121.760 > 9 67 Sb 0.33333333333333 0.66666666666667 0.25000000000000 121.760 > 9 68 Sb 0.83333333333333 0.66666666666667 0.25000000000000 121.760 > 9 69 Sb 0.33333333333333 0.16666666666667 0.75000000000000 121.760 > 9 70 Sb 0.83333333333333 0.16666666666667 0.75000000000000 121.760 > 9 71 Sb 0.33333333333333 0.66666666666667 0.75000000000000 121.760 > 9 72 Sb 0.83333333333333 0.66666666666667 0.75000000000000 121.760 > 9----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7054897 0.0000000 0.0000000 -0.0000000 3.7054897 0.0000000 0.0000000 0.0000000 3.0360282-------------------------- Born effective charges -------------------------- 1 O -1.6430964 0.0000000 -0.3571673 0.0000000 -2.4578674 0.0000000 -0.4363324 -0.0000000 -1.4673462 2 O -2.2541746 0.3528062 0.1785836 0.3528062 -1.8467891 0.3093159 0.2181662 0.3778749 -1.4673462 3 O -2.2541746 -0.3528062 0.1785836 -0.3528062 -1.8467891 -0.3093159 0.2181662 -0.3778749 -1.4673462 4 O -2.2541746 0.3528062 0.1785836 0.3528062 -1.8467891 0.3093159 0.2181662 0.3778749 -1.4673462 5 O -2.2541746 -0.3528062 0.1785836 -0.3528062 -1.8467891 -0.3093159 0.2181662 -0.3778749 -1.4673462 6 O -1.6430964 0.0000000 -0.3571673 0.0000000 -2.4578674 0.0000000 -0.4363324 -0.0000000 -1.4673462 7 Sr 2.4716370 0.0000000 0.0000000 -0.0000000 2.4716370 0.0000000 0.0000000 0.0000000 3.1708752 8 Sb 4.9156271 0.0000000 0.0000000 -0.0000000 4.9156270 0.0000000 0.0000000 0.0000000 2.8166009 9 Sb 4.9156271 0.0000000 0.0000000 -0.0000000 4.9156270 0.0000000 0.0000000 0.0000000 2.8166009----------------------------------------------------------------------------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: 216/216Permutation basis: 3186/3186Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 298Number of blocks in projector: 186Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 140Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 106Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 52Use standard eigh solver.Tree of FC basis block matrices:- (298, 289), data: False|-- (52, 49), data: True|-- (106, 104), data: True|-- (140, 136), data: True-----Solver_atoms: 1 -- 72 / 72Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 160 - Time: 0.132Solver_block: 160 / 160 - Time: 0.096Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.233--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 216/216Permutation basis: 3186/3186Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 298Number of blocks in projector: 186Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 140Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 106Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 52Use standard eigh solver.Tree of FC basis block matrices:- (298, 289), data: False|-- (52, 49), data: True|-- (106, 104), data: True|-- (140, 136), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:13:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:13:24]-------------------------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): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-31m (162)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.304190918595847 0.000000000000000 0.000000000000000 b -2.652095459297923 4.593564082026720 0.000000000000000 c 0.000000000000000 0.000000000000000 5.378001630000000Atomic positions (fractional): 1 O 0.37638074838088 0.00000000000000 0.29199510500296 15.999 2 O 0.62361925161912 0.62361925161912 0.29199510500296 15.999 3 O 0.00000000000000 0.37638074838088 0.29199510500296 15.999 4 O 0.37638074838088 0.37638074838088 0.70800489499704 15.999 5 O 0.00000000000000 0.62361925161912 0.70800489499704 15.999 6 O 0.62361925161912 0.00000000000000 0.70800489499704 15.999 7 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 9 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760-------------------------------- supercell ---------------------------------Lattice vectors: a 10.608381837191693 0.000000000000000 0.000000000000000 b -5.304190918595846 9.187128164053441 0.000000000000000 c 0.000000000000000 0.000000000000000 10.756003260000000Atomic positions (fractional): 1 O 0.18819037419044 0.00000000000000 0.14599755250148 15.999 > 1 2 O 0.68819037419044 0.00000000000000 0.14599755250148 15.999 > 1 3 O 0.18819037419044 0.50000000000000 0.14599755250148 15.999 > 1 4 O 0.68819037419044 0.50000000000000 0.14599755250148 15.999 > 1 5 O 0.18819037419044 0.00000000000000 0.64599755250148 15.999 > 1 6 O 0.68819037419044 0.00000000000000 0.64599755250148 15.999 > 1 7 O 0.18819037419044 0.50000000000000 0.64599755250148 15.999 > 1 8 O 0.68819037419044 0.50000000000000 0.64599755250148 15.999 > 1 9 O 0.31180962580956 0.31180962580956 0.14599755250148 15.999 > 9 10 O 0.81180962580956 0.31180962580956 0.14599755250148 15.999 > 9 11 O 0.31180962580956 0.81180962580956 0.14599755250148 15.999 > 9 12 O 0.81180962580956 0.81180962580956 0.14599755250148 15.999 > 9 13 O 0.31180962580956 0.31180962580956 0.64599755250148 15.999 > 9 14 O 0.81180962580956 0.31180962580956 0.64599755250148 15.999 > 9 15 O 0.31180962580956 0.81180962580956 0.64599755250148 15.999 > 9 16 O 0.81180962580956 0.81180962580956 0.64599755250148 15.999 > 9 17 O 0.00000000000000 0.18819037419044 0.14599755250148 15.999 > 17 18 O 0.50000000000000 0.18819037419044 0.14599755250148 15.999 > 17 19 O 0.00000000000000 0.68819037419044 0.14599755250148 15.999 > 17 20 O 0.50000000000000 0.68819037419044 0.14599755250148 15.999 > 17 21 O 0.00000000000000 0.18819037419044 0.64599755250148 15.999 > 17 22 O 0.50000000000000 0.18819037419044 0.64599755250148 15.999 > 17 23 O 0.00000000000000 0.68819037419044 0.64599755250148 15.999 > 17 24 O 0.50000000000000 0.68819037419044 0.64599755250148 15.999 > 17 25 O 0.18819037419044 0.18819037419044 0.35400244749852 15.999 > 25 26 O 0.68819037419044 0.18819037419044 0.35400244749852 15.999 > 25 27 O 0.18819037419044 0.68819037419044 0.35400244749852 15.999 > 25 28 O 0.68819037419044 0.68819037419044 0.35400244749852 15.999 > 25 29 O 0.18819037419044 0.18819037419044 0.85400244749852 15.999 > 25 30 O 0.68819037419044 0.18819037419044 0.85400244749852 15.999 > 25 31 O 0.18819037419044 0.68819037419044 0.85400244749852 15.999 > 25 32 O 0.68819037419044 0.68819037419044 0.85400244749852 15.999 > 25 33 O 0.00000000000000 0.31180962580956 0.35400244749852 15.999 > 33 34 O 0.50000000000000 0.31180962580956 0.35400244749852 15.999 > 33 35 O 0.00000000000000 0.81180962580956 0.35400244749852 15.999 > 33 36 O 0.50000000000000 0.81180962580956 0.35400244749852 15.999 > 33 37 O 0.00000000000000 0.31180962580956 0.85400244749852 15.999 > 33 38 O 0.50000000000000 0.31180962580956 0.85400244749852 15.999 > 33 39 O 0.00000000000000 0.81180962580956 0.85400244749852 15.999 > 33 40 O 0.50000000000000 0.81180962580956 0.85400244749852 15.999 > 33 41 O 0.31180962580956 0.00000000000000 0.35400244749852 15.999 > 41 42 O 0.81180962580956 0.00000000000000 0.35400244749852 15.999 > 41 43 O 0.31180962580956 0.50000000000000 0.35400244749852 15.999 > 41 44 O 0.81180962580956 0.50000000000000 0.35400244749852 15.999 > 41 45 O 0.31180962580956 0.00000000000000 0.85400244749852 15.999 > 41 46 O 0.81180962580956 0.00000000000000 0.85400244749852 15.999 > 41 47 O 0.31180962580956 0.50000000000000 0.85400244749852 15.999 > 41 48 O 0.81180962580956 0.50000000000000 0.85400244749852 15.999 > 41 49 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 49 50 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 49 51 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 49 52 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 49 53 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 49 54 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 49 55 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 49 56 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 49 57 Sb 0.16666666666667 0.33333333333333 0.25000000000000 121.760 > 57 58 Sb 0.66666666666667 0.33333333333333 0.25000000000000 121.760 > 57 59 Sb 0.16666666666667 0.83333333333333 0.25000000000000 121.760 > 57 60 Sb 0.66666666666667 0.83333333333333 0.25000000000000 121.760 > 57 61 Sb 0.16666666666667 0.33333333333333 0.75000000000000 121.760 > 57 62 Sb 0.66666666666667 0.33333333333333 0.75000000000000 121.760 > 57 63 Sb 0.16666666666667 0.83333333333333 0.75000000000000 121.760 > 57 64 Sb 0.66666666666667 0.83333333333333 0.75000000000000 121.760 > 57 65 Sb 0.33333333333333 0.16666666666667 0.25000000000000 121.760 > 65 66 Sb 0.83333333333333 0.16666666666667 0.25000000000000 121.760 > 65 67 Sb 0.33333333333333 0.66666666666667 0.25000000000000 121.760 > 65 68 Sb 0.83333333333333 0.66666666666667 0.25000000000000 121.760 > 65 69 Sb 0.33333333333333 0.16666666666667 0.75000000000000 121.760 > 65 70 Sb 0.83333333333333 0.16666666666667 0.75000000000000 121.760 > 65 71 Sb 0.33333333333333 0.66666666666667 0.75000000000000 121.760 > 65 72 Sb 0.83333333333333 0.66666666666667 0.75000000000000 121.760 > 65----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7054897 0.0000000 0.0000000 -0.0000000 3.7054897 0.0000000 0.0000000 0.0000000 3.0360282-------------------------- Born effective charges -------------------------- 1 O -1.6430964 0.0000000 -0.3571673 0.0000000 -2.4578674 0.0000000 -0.4363324 -0.0000000 -1.4673462 2 O -2.2541746 0.3528062 0.1785836 0.3528062 -1.8467891 0.3093159 0.2181662 0.3778749 -1.4673462 3 O -2.2541746 -0.3528062 0.1785836 -0.3528062 -1.8467891 -0.3093159 0.2181662 -0.3778749 -1.4673462 4 O -2.2541746 0.3528062 0.1785836 0.3528062 -1.8467891 0.3093159 0.2181662 0.3778749 -1.4673462 5 O -2.2541746 -0.3528062 0.1785836 -0.3528062 -1.8467891 -0.3093159 0.2181662 -0.3778749 -1.4673462 6 O -1.6430964 0.0000000 -0.3571673 0.0000000 -2.4578674 0.0000000 -0.4363324 -0.0000000 -1.4673462 7 Sr 2.4716370 0.0000000 0.0000000 -0.0000000 2.4716370 0.0000000 0.0000000 0.0000000 3.1708752 8 Sb 4.9156271 0.0000000 0.0000000 -0.0000000 4.9156270 0.0000000 0.0000000 0.0000000 2.8166009 9 Sb 4.9156271 0.0000000 0.0000000 -0.0000000 4.9156270 0.0000000 0.0000000 0.0000000 2.8166009----------------------------------------------------------------------------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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, 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[ 57, 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: 0.00000206 (xyz) 0.00000206 (xyz) 0.00000206 (xzy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000159 (xz) -0.00000159 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:13:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:13:28]-------------------------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): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-31m (162)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.304190918595847 0.000000000000000 0.000000000000000 b -2.652095459297923 4.593564082026720 0.000000000000000 c 0.000000000000000 0.000000000000000 5.378001630000000Atomic positions (fractional): 1 O 0.37638074838088 0.00000000000000 0.29199510500296 15.999 2 O 0.62361925161912 0.62361925161912 0.29199510500296 15.999 3 O 0.00000000000000 0.37638074838088 0.29199510500296 15.999 4 O 0.37638074838088 0.37638074838088 0.70800489499704 15.999 5 O 0.00000000000000 0.62361925161912 0.70800489499704 15.999 6 O 0.62361925161912 0.00000000000000 0.70800489499704 15.999 7 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 9 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760-------------------------------- supercell ---------------------------------Lattice vectors: a 10.608381837191693 0.000000000000000 0.000000000000000 b -5.304190918595846 9.187128164053441 0.000000000000000 c 0.000000000000000 0.000000000000000 10.756003260000000Atomic positions (fractional): 1 O 0.18819037419044 0.00000000000000 0.14599755250148 15.999 > 1 2 O 0.68819037419044 0.00000000000000 0.14599755250148 15.999 > 1 3 O 0.18819037419044 0.50000000000000 0.14599755250148 15.999 > 1 4 O 0.68819037419044 0.50000000000000 0.14599755250148 15.999 > 1 5 O 0.18819037419044 0.00000000000000 0.64599755250148 15.999 > 1 6 O 0.68819037419044 0.00000000000000 0.64599755250148 15.999 > 1 7 O 0.18819037419044 0.50000000000000 0.64599755250148 15.999 > 1 8 O 0.68819037419044 0.50000000000000 0.64599755250148 15.999 > 1 9 O 0.31180962580956 0.31180962580956 0.14599755250148 15.999 > 9 10 O 0.81180962580956 0.31180962580956 0.14599755250148 15.999 > 9 11 O 0.31180962580956 0.81180962580956 0.14599755250148 15.999 > 9 12 O 0.81180962580956 0.81180962580956 0.14599755250148 15.999 > 9 13 O 0.31180962580956 0.31180962580956 0.64599755250148 15.999 > 9 14 O 0.81180962580956 0.31180962580956 0.64599755250148 15.999 > 9 15 O 0.31180962580956 0.81180962580956 0.64599755250148 15.999 > 9 16 O 0.81180962580956 0.81180962580956 0.64599755250148 15.999 > 9 17 O 0.00000000000000 0.18819037419044 0.14599755250148 15.999 > 17 18 O 0.50000000000000 0.18819037419044 0.14599755250148 15.999 > 17 19 O 0.00000000000000 0.68819037419044 0.14599755250148 15.999 > 17 20 O 0.50000000000000 0.68819037419044 0.14599755250148 15.999 > 17 21 O 0.00000000000000 0.18819037419044 0.64599755250148 15.999 > 17 22 O 0.50000000000000 0.18819037419044 0.64599755250148 15.999 > 17 23 O 0.00000000000000 0.68819037419044 0.64599755250148 15.999 > 17 24 O 0.50000000000000 0.68819037419044 0.64599755250148 15.999 > 17 25 O 0.18819037419044 0.18819037419044 0.35400244749852 15.999 > 25 26 O 0.68819037419044 0.18819037419044 0.35400244749852 15.999 > 25 27 O 0.18819037419044 0.68819037419044 0.35400244749852 15.999 > 25 28 O 0.68819037419044 0.68819037419044 0.35400244749852 15.999 > 25 29 O 0.18819037419044 0.18819037419044 0.85400244749852 15.999 > 25 30 O 0.68819037419044 0.18819037419044 0.85400244749852 15.999 > 25 31 O 0.18819037419044 0.68819037419044 0.85400244749852 15.999 > 25 32 O 0.68819037419044 0.68819037419044 0.85400244749852 15.999 > 25 33 O 0.00000000000000 0.31180962580956 0.35400244749852 15.999 > 33 34 O 0.50000000000000 0.31180962580956 0.35400244749852 15.999 > 33 35 O 0.00000000000000 0.81180962580956 0.35400244749852 15.999 > 33 36 O 0.50000000000000 0.81180962580956 0.35400244749852 15.999 > 33 37 O 0.00000000000000 0.31180962580956 0.85400244749852 15.999 > 33 38 O 0.50000000000000 0.31180962580956 0.85400244749852 15.999 > 33 39 O 0.00000000000000 0.81180962580956 0.85400244749852 15.999 > 33 40 O 0.50000000000000 0.81180962580956 0.85400244749852 15.999 > 33 41 O 0.31180962580956 0.00000000000000 0.35400244749852 15.999 > 41 42 O 0.81180962580956 0.00000000000000 0.35400244749852 15.999 > 41 43 O 0.31180962580956 0.50000000000000 0.35400244749852 15.999 > 41 44 O 0.81180962580956 0.50000000000000 0.35400244749852 15.999 > 41 45 O 0.31180962580956 0.00000000000000 0.85400244749852 15.999 > 41 46 O 0.81180962580956 0.00000000000000 0.85400244749852 15.999 > 41 47 O 0.31180962580956 0.50000000000000 0.85400244749852 15.999 > 41 48 O 0.81180962580956 0.50000000000000 0.85400244749852 15.999 > 41 49 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 49 50 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 49 51 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 49 52 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 49 53 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 49 54 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 49 55 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 49 56 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 49 57 Sb 0.16666666666667 0.33333333333333 0.25000000000000 121.760 > 57 58 Sb 0.66666666666667 0.33333333333333 0.25000000000000 121.760 > 57 59 Sb 0.16666666666667 0.83333333333333 0.25000000000000 121.760 > 57 60 Sb 0.66666666666667 0.83333333333333 0.25000000000000 121.760 > 57 61 Sb 0.16666666666667 0.33333333333333 0.75000000000000 121.760 > 57 62 Sb 0.66666666666667 0.33333333333333 0.75000000000000 121.760 > 57 63 Sb 0.16666666666667 0.83333333333333 0.75000000000000 121.760 > 57 64 Sb 0.66666666666667 0.83333333333333 0.75000000000000 121.760 > 57 65 Sb 0.33333333333333 0.16666666666667 0.25000000000000 121.760 > 65 66 Sb 0.83333333333333 0.16666666666667 0.25000000000000 121.760 > 65 67 Sb 0.33333333333333 0.66666666666667 0.25000000000000 121.760 > 65 68 Sb 0.83333333333333 0.66666666666667 0.25000000000000 121.760 > 65 69 Sb 0.33333333333333 0.16666666666667 0.75000000000000 121.760 > 65 70 Sb 0.83333333333333 0.16666666666667 0.75000000000000 121.760 > 65 71 Sb 0.33333333333333 0.66666666666667 0.75000000000000 121.760 > 65 72 Sb 0.83333333333333 0.66666666666667 0.75000000000000 121.760 > 65----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.7054897 0.0000000 0.0000000 -0.0000000 3.7054897 0.0000000 0.0000000 0.0000000 3.0360282-------------------------- Born effective charges -------------------------- 1 O -1.6430964 0.0000000 -0.3571673 0.0000000 -2.4578674 0.0000000 -0.4363324 -0.0000000 -1.4673462 2 O -2.2541746 0.3528062 0.1785836 0.3528062 -1.8467891 0.3093159 0.2181662 0.3778749 -1.4673462 3 O -2.2541746 -0.3528062 0.1785836 -0.3528062 -1.8467891 -0.3093159 0.2181662 -0.3778749 -1.4673462 4 O -2.2541746 0.3528062 0.1785836 0.3528062 -1.8467891 0.3093159 0.2181662 0.3778749 -1.4673462 5 O -2.2541746 -0.3528062 0.1785836 -0.3528062 -1.8467891 -0.3093159 0.2181662 -0.3778749 -1.4673462 6 O -1.6430964 0.0000000 -0.3571673 0.0000000 -2.4578674 0.0000000 -0.4363324 -0.0000000 -1.4673462 7 Sr 2.4716370 0.0000000 0.0000000 -0.0000000 2.4716370 0.0000000 0.0000000 0.0000000 3.1708752 8 Sb 4.9156271 0.0000000 0.0000000 -0.0000000 4.9156270 0.0000000 0.0000000 0.0000000 2.8166009 9 Sb 4.9156271 0.0000000 0.0000000 -0.0000000 4.9156270 0.0000000 0.0000000 0.0000000 2.8166009----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000206 (xyz) 0.00000206 (xyz) 0.00000206 (xzy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 11 11 9 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.82, Number of G-points: 315, Lambda: 0.16Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/120) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 6.129 ( 0.000 0.000 0.000) 0.000 6.129 ( 0.000 0.000 0.000) 0.000 7.783 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.670 ( 0.000 0.000 0.000) 0.000 9.303 ( 0.000 0.000 0.000) 0.000 9.303 ( 0.000 0.000 0.000) 0.000 15.094 ( 0.000 0.000 0.000) 0.000 15.094 ( 0.000 0.000 0.000) 0.000 15.400 ( 0.000 0.000 0.000) 0.000 15.400 ( 0.000 0.000 0.000) 0.000 16.249 ( 0.000 0.000 0.000) 0.000 16.249 ( 0.000 0.000 0.000) 0.000 17.289 ( 0.000 0.000 0.000) 0.000 17.649 ( 0.000 0.000 0.000) 0.000 19.304 ( 0.000 0.000 0.000) 0.000 19.315 ( 0.000 0.000 0.000) 0.000 19.438 ( 0.000 0.000 0.000) 0.000 19.438 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/120) =======================q-point: ( 0.09 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( 21.491 12.408 0.000) 24.816 0.650 ( 28.250 16.310 0.000) 32.620 1.286 ( 55.637 32.122 0.000) 64.244 3.630 ( -9.210 -5.317 0.000) 10.634 4.074 ( -1.683 -0.972 0.000) 1.944 4.096 ( -4.377 -2.527 0.000) 5.054 4.394 ( 3.167 1.829 0.000) 3.657 6.121 ( -0.725 -0.419 0.000) 0.838 6.148 ( 1.722 0.994 0.000) 1.988 7.739 ( -3.514 -2.029 0.000) 4.058 8.596 ( -6.350 -3.666 0.000) 7.333 8.615 ( -2.770 -1.600 0.000) 3.199 9.183 ( -9.966 -5.754 0.000) 11.508 9.370 ( 5.433 3.137 0.000) 6.273 9.986 ( 5.113 2.952 0.000) 5.904 15.090 ( -0.341 -0.197 0.000) 0.393 15.129 ( 2.805 1.620 0.000) 3.239 15.461 ( 5.441 3.142 0.000) 6.283 16.095 ( 6.231 3.597 0.000) 7.195 16.220 ( -2.355 -1.360 0.000) 2.720 17.257 ( -2.746 -1.586 0.000) 3.171 17.642 ( -0.713 -0.412 0.000) 0.824 19.296 ( -1.897 -1.095 0.000) 2.191 19.326 ( 1.872 1.081 0.000) 2.162 19.414 ( -1.700 -0.982 0.000) 1.963 19.429 ( -0.707 -0.408 0.000) 0.816 20.273 ( -1.480 -0.855 0.000) 1.709======================= Grid point 2 (3/120) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.973 ( 19.875 11.475 0.000) 22.949 1.288 ( 27.541 15.901 0.000) 31.801 2.521 ( 51.546 29.760 0.000) 59.520 3.378 ( -12.122 -6.999 0.000) 13.997 3.962 ( -6.502 -3.754 0.000) 7.507 4.036 ( -1.312 -0.757 0.000) 1.515 4.440 ( 0.049 0.028 0.000) 0.057 6.096 ( -1.427 -0.824 0.000) 1.647 6.210 ( 3.649 2.107 0.000) 4.213 7.641 ( -4.692 -2.709 0.000) 5.418 8.393 ( -11.042 -6.375 0.000) 12.750 8.528 ( -4.722 -2.726 0.000) 5.452 8.870 ( -17.119 -9.884 0.000) 19.767 9.524 ( 7.544 4.356 0.000) 8.711 10.127 ( 6.796 3.924 0.000) 7.848 15.080 ( -0.474 -0.274 0.000) 0.548 15.204 ( 3.313 1.913 0.000) 3.825 15.647 ( 10.550 6.091 0.000) 12.182 16.158 ( -2.598 -1.500 0.000) 3.000 16.295 ( 10.938 6.315 0.000) 12.631 17.168 ( -4.962 -2.865 0.000) 5.729 17.609 ( -2.320 -1.339 0.000) 2.679 19.213 ( -5.430 -3.135 0.000) 6.270 19.381 ( -0.198 -0.114 0.000) 0.229 19.388 ( 2.599 1.500 0.000) 3.001 19.407 ( -1.196 -0.690 0.000) 1.381 20.220 ( -3.090 -1.784 0.000) 3.568======================= Grid point 3 (4/120) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( 16.526 9.541 0.000) 19.083 1.905 ( 26.252 15.157 0.000) 30.313 3.101 ( -11.648 -6.725 0.000) 13.450 3.430 ( 13.592 7.847 0.000) 15.694 4.014 ( 25.689 14.831 0.000) 29.663 4.025 ( 0.305 0.176 0.000) 0.352 4.375 ( -5.789 -3.343 0.000) 6.685 6.065 ( -1.057 -0.610 0.000) 1.220 6.314 ( 5.372 3.101 0.000) 6.203 7.542 ( -3.649 -2.107 0.000) 4.213 8.108 ( -13.509 -7.799 0.000) 15.599 8.403 ( -6.178 -3.567 0.000) 7.133 8.413 ( -22.536 -13.011 0.000) 26.023 9.694 ( 6.963 4.020 0.000) 8.041 10.282 ( 6.445 3.721 0.000) 7.442 15.070 ( -0.390 -0.225 0.000) 0.450 15.263 ( 1.614 0.932 0.000) 1.863 15.919 ( 12.176 7.030 0.000) 14.059 16.132 ( 1.307 0.755 0.000) 1.510 16.575 ( 12.993 7.501 0.000) 15.003 17.039 ( -6.065 -3.502 0.000) 7.004 17.529 ( -4.869 -2.811 0.000) 5.623 19.060 ( -7.623 -4.401 0.000) 8.802 19.372 ( -0.030 -0.017 0.000) 0.034 19.378 ( -1.308 -0.755 0.000) 1.510 19.472 ( 4.061 2.345 0.000) 4.689 20.133 ( -4.496 -2.596 0.000) 5.192======================= Grid point 4 (5/120) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 12.306 7.105 0.000) 14.210 2.450 ( 18.290 10.560 0.000) 21.120 2.890 ( -3.549 -2.049 0.000) 4.098 3.363 ( -7.868 -4.543 0.000) 9.085 3.994 ( -6.347 -3.664 0.000) 7.328 4.221 ( -4.625 -2.670 0.000) 5.341 4.929 ( 43.085 24.875 0.000) 49.750 6.052 ( -0.120 -0.070 0.000) 0.139 6.439 ( 4.796 2.769 0.000) 5.538 7.484 ( -1.339 -0.773 0.000) 1.546 7.765 ( -19.156 -11.060 0.000) 22.119 7.891 ( -19.132 -11.046 0.000) 22.091 8.256 ( -6.294 -3.634 0.000) 7.268 9.831 ( 4.795 2.768 0.000) 5.537 10.410 ( 4.599 2.655 0.000) 5.310 15.063 ( -0.219 -0.126 0.000) 0.253 15.275 ( -0.428 -0.247 0.000) 0.495 16.115 ( 5.288 3.053 0.000) 6.106 16.278 ( 9.934 5.735 0.000) 11.470 16.861 ( 11.347 6.551 0.000) 13.103 16.912 ( -4.154 -2.398 0.000) 4.796 17.385 ( -7.599 -4.387 0.000) 8.774 18.883 ( -7.333 -4.234 0.000) 8.468 19.350 ( -1.001 -0.578 0.000) 1.156 19.376 ( 0.294 0.170 0.000) 0.340 19.568 ( 4.243 2.450 0.000) 4.900 20.022 ( -5.018 -2.897 0.000) 5.794======================= Grid point 5 (6/120) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 6.002 3.465 0.000) 6.930 2.531 ( -3.730 -2.153 0.000) 4.307 3.152 ( 18.844 10.879 0.000) 21.759 3.220 ( -3.601 -2.079 0.000) 4.158 3.695 ( -16.360 -9.445 0.000) 18.891 4.205 ( 0.740 0.427 0.000) 0.854 5.826 ( 32.697 18.878 0.000) 37.756 6.054 ( 0.126 0.073 0.000) 0.145 6.446 ( -7.428 -4.288 0.000) 8.577 7.278 ( -15.859 -9.156 0.000) 18.312 7.474 ( 0.097 0.056 0.000) 0.112 7.626 ( -5.984 -3.455 0.000) 6.910 8.141 ( -3.006 -1.735 0.000) 3.471 9.906 ( 1.707 0.985 0.000) 1.971 10.483 ( 1.669 0.964 0.000) 1.927 15.060 ( -0.066 -0.038 0.000) 0.076 15.260 ( -0.522 -0.301 0.000) 0.602 16.223 ( 3.598 2.077 0.000) 4.155 16.426 ( 1.861 1.074 0.000) 2.149 16.904 ( 3.471 2.004 0.000) 4.008 17.056 ( 4.807 2.775 0.000) 5.550 17.200 ( -7.309 -4.220 0.000) 8.439 18.754 ( -3.316 -1.915 0.000) 3.829 19.334 ( -0.373 -0.216 0.000) 0.431 19.382 ( 0.172 0.099 0.000) 0.198 19.654 ( 2.680 1.547 0.000) 3.094 19.921 ( -3.068 -1.771 0.000) 3.543======================= Grid point 12 (7/120) =======================q-point: ( 0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 13.121 22.725 3.106) 26.424 1.101 ( 15.933 27.598 9.328) 33.204 2.191 ( 30.321 52.517 -7.295) 61.079 3.451 ( -6.787 -11.755 -3.557) 14.032 3.999 ( -3.910 -6.772 2.719) 8.279 4.045 ( -0.933 -1.616 1.590) 2.452 4.437 ( 0.885 1.534 -1.869) 2.575 6.112 ( -0.690 -1.195 0.208) 1.396 6.179 ( 1.610 2.788 1.588) 3.589 7.672 ( -2.515 -4.356 -0.592) 5.065 8.459 ( -5.654 -9.794 -0.272) 11.312 8.506 ( -5.123 -8.873 -3.124) 10.711 9.164 ( -2.926 -5.068 2.668) 6.432 9.302 ( -0.449 -0.778 0.616) 1.089 10.116 ( 5.006 8.670 -0.704) 10.036 14.995 ( -2.286 -3.959 2.247) 5.094 15.318 ( 6.137 10.629 0.731) 12.295 15.538 ( 3.270 5.663 -1.799) 6.782 16.172 ( -1.818 -3.148 0.521) 3.673 16.236 ( 5.931 10.273 0.273) 11.865 17.196 ( -2.589 -4.484 1.689) 5.446 17.622 ( -1.041 -1.803 -0.191) 2.091 19.250 ( -2.203 -3.816 4.683) 6.430 19.366 ( 1.591 2.755 0.093) 3.183 19.391 ( -1.253 -2.170 -0.704) 2.602 19.407 ( -0.314 -0.544 -0.773) 0.996 20.237 ( -1.593 -2.759 -5.600) 6.443======================= Grid point 13 (8/120) =======================q-point: ( 0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 11.319 22.646 3.622) 25.575 1.679 ( 21.273 22.873 6.113) 31.829 3.184 ( 9.423 11.163 -5.084) 15.468 3.213 ( 11.694 11.567 -6.277) 17.606 3.877 ( 0.416 -2.589 4.256) 4.999 4.035 ( 0.678 1.818 2.644) 3.279 4.424 ( -2.759 -2.133 -3.248) 4.766 6.075 ( -1.528 -1.690 -0.609) 2.358 6.262 ( 4.131 3.534 2.072) 5.818 7.582 ( -3.364 -2.888 -0.343) 4.447 8.220 ( -10.125 -10.771 -1.152) 14.828 8.282 ( -5.468 -17.671 -3.087) 18.753 8.901 ( -23.575 7.511 2.679) 24.887 9.422 ( 16.329 -11.683 1.632) 20.144 10.292 ( 3.909 10.597 -0.448) 11.304 14.938 ( 1.885 -7.646 1.638) 8.043 15.465 ( -5.235 17.271 -0.318) 18.050 15.741 ( 14.419 3.783 -0.642) 14.921 16.117 ( -0.641 -2.284 1.107) 2.618 16.484 ( 9.412 12.311 1.115) 15.537 17.086 ( -4.414 -5.229 2.375) 7.243 17.563 ( -2.941 -3.492 -0.404) 4.583 19.140 ( -5.845 -4.228 6.290) 9.571 19.340 ( -0.499 -3.719 0.067) 3.753 19.404 ( -0.230 0.697 -4.190) 4.254 19.438 ( 2.881 3.185 0.213) 4.300 20.164 ( -3.048 -3.963 -6.022) 7.827======================= Grid point 14 (9/120) =======================q-point: ( 0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 7.178 21.701 3.167) 23.076 2.261 ( 20.930 20.224 3.970) 29.374 2.946 ( -8.472 -8.324 -0.378) 11.883 3.439 ( -6.061 -4.895 -1.074) 7.865 4.018 ( 2.265 -0.012 -4.127) 4.708 4.277 ( -5.885 -4.519 -3.630) 8.260 4.501 ( 34.389 27.898 2.362) 44.345 6.039 ( -0.197 -2.249 -1.633) 2.786 6.380 ( 5.082 3.395 2.190) 6.493 7.510 ( -2.706 -1.156 1.342) 3.234 7.887 ( -12.688 -18.162 -2.428) 22.287 7.996 ( -8.839 -12.633 -2.226) 15.579 8.569 ( -23.342 8.163 2.515) 24.856 9.578 ( 15.640 -13.041 1.808) 20.444 10.448 ( 1.752 10.670 0.017) 10.813 14.901 ( 4.011 -10.078 0.746) 10.872 15.510 ( -8.621 16.539 -0.507) 18.658 16.025 ( 10.264 4.178 0.102) 11.082 16.149 ( 7.799 1.219 0.739) 7.928 16.774 ( 9.387 11.464 0.955) 14.848 16.957 ( -4.302 -3.927 4.576) 7.407 17.447 ( -5.443 -5.518 -0.495) 7.767 18.979 ( -7.863 -3.639 3.840) 9.477 19.301 ( 0.893 -4.943 2.205) 5.486 19.411 ( -0.543 2.084 -6.182) 6.547 19.525 ( 3.635 2.924 0.063) 4.666 20.058 ( -3.930 -4.908 -5.127) 8.113======================= Grid point 15 (10/120) =======================q-point: ( 0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( 2.178 20.311 1.771) 20.505 2.620 ( -5.117 4.435 1.943) 7.045 2.902 ( 16.064 4.203 8.366) 18.594 3.285 ( -3.754 -1.885 -5.197) 6.682 3.899 ( -15.038 -5.690 -3.946) 16.556 4.170 ( 1.775 -2.607 -2.905) 4.288 5.399 ( 37.062 20.837 -1.417) 42.542 6.025 ( 1.260 -2.627 -2.343) 3.739 6.459 ( 0.808 -1.893 1.565) 2.586 7.404 ( -10.454 -12.266 -1.846) 16.222 7.512 ( -6.468 -5.771 7.244) 11.297 7.775 ( -8.928 0.967 -5.019) 10.288 8.290 ( -15.259 3.915 1.277) 15.805 9.688 ( 12.941 -14.546 1.784) 19.551 10.555 ( -1.096 9.489 0.411) 9.561 14.875 ( 5.410 -11.338 0.102) 12.563 15.510 ( -9.862 16.151 -0.099) 18.924 16.160 ( 5.293 1.787 0.412) 5.601 16.360 ( 8.325 2.416 -0.415) 8.678 16.854 ( 1.436 -2.734 0.094) 3.089 17.046 ( 4.835 11.019 7.984) 14.441 17.272 ( -7.270 -7.006 -0.427) 10.105 18.821 ( -6.508 -1.880 0.790) 6.820 19.274 ( 1.989 -5.317 3.476) 6.656 19.423 ( -1.066 2.954 -6.872) 7.556 19.616 ( 3.706 2.329 -0.470) 4.402 19.942 ( -3.398 -5.073 -4.009) 7.304======================= Grid point 16 (11/120) =======================q-point: ( 0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( -9.164 15.873 0.208) 18.330 2.532 ( -1.349 2.336 3.396) 4.337 3.083 ( 4.037 -6.992 16.467) 18.339 3.424 ( -4.544 7.870 -14.520) 17.130 3.565 ( -0.068 0.119 -3.198) 3.200 4.185 ( 1.390 -2.408 -2.198) 3.544 5.994 ( 3.831 -6.635 -3.543) 8.441 6.024 ( 1.638 -2.837 -2.674) 4.229 6.328 ( 1.550 -2.685 1.009) 3.260 7.182 ( -0.013 0.023 0.392) 0.393 7.452 ( 1.002 -1.735 9.862) 10.063 7.715 ( -6.468 11.203 -6.040) 14.276 8.167 ( -2.465 4.269 0.234) 4.935 9.728 ( 9.503 -16.460 1.755) 19.088 10.593 ( -4.426 7.665 0.563) 8.869 14.865 ( 6.559 -11.361 -0.120) 13.119 15.504 ( -9.527 16.501 0.096) 19.053 16.230 ( 0.658 -1.140 -0.226) 1.335 16.422 ( 0.695 -1.204 0.052) 1.391 16.906 ( 1.541 -2.669 0.814) 3.187 17.127 ( 1.188 -2.058 0.572) 2.445 17.152 ( -3.437 5.954 7.368) 10.078 18.750 ( -0.937 1.623 -0.708) 2.003 19.265 ( 2.925 -5.067 3.846) 7.002 19.430 ( -1.743 3.020 -6.984) 7.806 19.672 ( -0.091 0.157 -0.911) 0.929 19.875 ( 1.563 -2.707 -3.382) 4.605======================= Grid point 25 (12/120) =======================q-point: ( 0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( 12.858 22.270 4.688) 26.139 2.165 ( 14.822 25.672 6.233) 30.292 2.988 ( -5.928 -10.267 -1.835) 11.997 3.467 ( -3.023 -5.237 -1.819) 6.315 3.966 ( 2.801 4.851 -7.322) 9.219 4.327 ( 19.103 33.087 6.064) 38.684 4.337 ( -4.018 -6.959 -5.435) 9.701 6.028 ( -1.590 -2.754 -2.225) 3.881 6.350 ( 2.862 4.957 3.227) 6.571 7.533 ( -1.193 -2.066 1.850) 3.019 7.887 ( -11.817 -20.468 -3.501) 23.893 8.017 ( -5.879 -10.182 -2.695) 12.062 9.007 ( -2.092 -3.624 2.175) 4.716 9.185 ( -3.191 -5.528 3.122) 7.105 10.492 ( 5.276 9.139 0.117) 10.553 14.812 ( -2.996 -5.190 1.017) 6.078 15.785 ( 3.676 6.366 -1.305) 7.466 15.843 ( 8.312 14.397 0.179) 16.625 16.087 ( -0.062 -0.107 2.046) 2.050 16.753 ( 7.707 13.348 1.336) 15.471 16.975 ( -2.832 -4.904 6.015) 8.262 17.466 ( -3.712 -6.429 -0.725) 7.459 19.043 ( -3.290 -5.698 8.342) 10.624 19.257 ( -2.451 -4.245 -1.503) 5.127 19.427 ( 0.882 1.527 -6.665) 6.894 19.507 ( 2.118 3.668 0.422) 4.257 20.066 ( -3.316 -5.743 -7.761) 10.208======================= Grid point 26 (13/120) =======================q-point: ( 0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( 5.521 23.286 5.505) 24.557 2.669 ( 16.875 18.436 6.277) 25.769 2.803 ( -7.295 -3.717 0.434) 8.199 3.305 ( -4.199 -7.322 -1.300) 8.540 4.026 ( -0.517 0.694 -4.447) 4.531 4.144 ( -7.153 -8.626 -6.434) 12.922 5.061 ( 27.221 26.802 -1.725) 38.240 5.981 ( -0.157 -3.198 -3.717) 4.906 6.424 ( 1.349 -0.153 3.103) 3.387 7.461 ( -8.915 -9.011 0.711) 12.696 7.518 ( -4.211 -11.059 3.131) 12.241 7.876 ( -2.749 -0.227 -5.405) 6.068 8.716 ( -25.225 6.399 2.645) 26.158 9.249 ( 17.143 -19.294 3.062) 25.991 10.643 ( 1.987 8.486 0.801) 8.752 14.728 ( 0.418 -7.226 0.268) 7.243 15.826 ( -7.471 14.026 -0.526) 15.901 16.104 ( 3.804 4.117 1.268) 5.747 16.192 ( 13.530 3.671 -0.138) 14.020 16.816 ( -1.640 -4.954 0.186) 5.221 17.078 ( 6.373 13.413 11.769) 18.948 17.308 ( -5.929 -8.500 -0.757) 10.391 18.918 ( -6.044 -2.470 4.473) 7.914 19.186 ( 0.532 -6.362 -0.316) 6.392 19.461 ( 0.355 2.997 -8.027) 8.575 19.581 ( 2.889 2.604 0.053) 3.890 19.943 ( -3.664 -6.491 -7.244) 10.394======================= Grid point 27 (14/120) =======================q-point: ( 0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.442 ( 0.002 20.589 4.526) 21.080 2.643 ( -8.820 0.077 4.424) 9.868 2.975 ( 2.321 2.587 11.682) 12.188 3.365 ( 14.040 9.490 -9.014) 19.195 3.766 ( -18.271 -8.069 -7.122) 21.205 4.116 ( 3.195 -2.767 -3.805) 5.687 5.709 ( 23.707 10.430 -4.363) 26.265 5.960 ( 1.462 -3.421 -4.567) 5.891 6.323 ( -6.333 -11.452 0.710) 13.106 7.222 ( -5.114 -3.375 -0.097) 6.128 7.425 ( -1.198 -4.539 7.455) 8.810 7.941 ( -0.461 15.035 -2.964) 15.332 8.367 ( -18.468 3.555 1.814) 18.895 9.324 ( 14.701 -21.462 2.991) 26.185 10.724 ( -1.605 6.939 1.225) 7.227 14.684 ( 3.084 -7.658 -0.148) 8.257 15.827 ( -8.808 15.022 -0.022) 17.414 16.199 ( 3.049 2.406 0.675) 3.942 16.375 ( 3.973 -0.833 -0.425) 4.081 16.810 ( 5.574 -1.426 1.605) 5.974 17.112 ( -5.227 -8.736 -0.378) 10.188 17.268 ( 0.414 10.379 13.868) 17.327 18.814 ( -4.441 1.251 -0.411) 4.632 19.151 ( 3.031 -7.017 1.292) 7.751 19.490 ( -1.205 3.812 -8.221) 9.141 19.656 ( 2.891 1.553 -1.136) 3.473 19.828 ( -1.619 -6.244 -6.066) 8.854======================= Grid point 37 (15/120) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.550 ( 6.985 12.098 11.017) 17.791 2.683 ( -1.672 -2.896 6.580) 7.381 3.105 ( 10.815 18.732 0.213) 21.631 3.202 ( -0.247 -0.427 -5.342) 5.364 3.904 ( -8.298 -14.373 -6.928) 17.985 4.058 ( 0.538 0.931 -4.294) 4.426 5.538 ( 12.332 21.359 -4.781) 25.123 5.928 ( -1.131 -1.959 -5.300) 5.762 6.316 ( -6.501 -11.260 0.843) 13.030 7.256 ( -2.881 -4.990 -0.746) 5.810 7.408 ( -3.057 -5.295 6.767) 9.120 8.009 ( 7.617 13.192 -2.634) 15.459 8.779 ( -5.066 -8.775 1.682) 10.271 8.871 ( -5.605 -9.707 4.755) 12.176 10.773 ( 2.594 4.493 1.480) 5.395 14.618 ( -2.199 -3.809 -0.152) 4.400 16.018 ( 3.011 5.216 -0.100) 6.023 16.188 ( 2.561 4.436 1.663) 5.385 16.300 ( 3.060 5.300 -1.336) 6.263 16.746 ( -0.122 -0.211 2.189) 2.202 17.116 ( -6.135 -10.626 -0.546) 12.282 17.319 ( 5.596 9.693 15.902) 19.445 18.882 ( -0.662 -1.147 1.745) 2.191 19.066 ( -2.982 -5.166 -1.765) 6.220 19.529 ( 2.076 3.595 -9.687) 10.540 19.627 ( 1.233 2.135 -0.118) 2.468 19.811 ( -3.813 -6.605 -7.099) 10.420======================= Grid point 38 (16/120) =======================q-point: ( 0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( -1.293 2.240 9.464) 9.811 2.673 ( -0.094 0.163 12.318) 12.320 3.169 ( -9.800 16.974 -4.512) 20.113 3.484 ( 3.839 -6.650 -7.442) 10.693 3.612 ( 0.752 -1.303 -3.976) 4.252 4.071 ( 0.816 -1.413 -4.343) 4.639 5.847 ( -2.586 4.480 -4.942) 7.154 5.908 ( 0.886 -1.534 -5.877) 6.138 6.091 ( 5.298 -9.177 -1.931) 10.772 7.235 ( -1.695 2.935 1.858) 3.865 7.336 ( 2.393 -4.145 4.641) 6.667 8.295 ( -8.712 15.090 0.530) 17.432 8.449 ( -4.938 8.553 2.404) 10.164 8.867 ( 13.657 -23.655 3.708) 27.565 10.818 ( -1.409 2.441 1.736) 3.310 14.580 ( 1.557 -2.697 -0.303) 3.129 16.063 ( -4.257 7.374 0.225) 8.518 16.254 ( -1.617 2.801 0.667) 3.303 16.334 ( 1.614 -2.796 -0.104) 3.230 16.808 ( -0.695 1.203 1.380) 1.958 16.950 ( 3.703 -6.414 0.050) 7.406 17.422 ( -2.489 4.311 18.462) 19.121 18.872 ( -2.484 4.303 -1.529) 5.198 19.009 ( 3.829 -6.632 -0.992) 7.722 19.574 ( -2.589 4.484 -9.947) 11.214 19.673 ( 0.194 -0.337 -1.286) 1.343 19.710 ( 2.695 -4.668 -6.109) 8.147======================= Grid point 133 (17/120) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.567 ( 0.000 0.000 26.899) 26.899 0.567 ( -0.000 -0.000 26.899) 26.899 0.889 ( -0.000 0.000 41.820) 41.820 3.705 ( 0.000 0.000 -4.152) 4.152 3.705 ( 0.000 0.000 -4.152) 4.152 4.367 ( 0.000 -0.000 1.973) 1.973 5.415 ( 0.000 0.000 0.806) 0.806 6.073 ( 0.000 -0.000 -5.216) 5.216 6.073 ( -0.000 -0.000 -5.216) 5.216 7.824 ( 0.000 -0.000 -0.967) 0.967 8.639 ( 0.000 0.000 -3.031) 3.031 8.679 ( 0.000 0.000 2.823) 2.823 8.679 ( 0.000 0.000 2.823) 2.823 9.299 ( 0.000 0.000 -0.330) 0.330 9.299 ( -0.000 0.000 -0.330) 0.330 15.066 ( 0.000 -0.000 -2.353) 2.353 15.066 ( 0.000 0.000 -2.353) 2.353 15.456 ( 0.000 0.000 4.943) 4.943 15.456 ( 0.000 0.000 4.943) 4.943 16.249 ( 0.000 -0.000 0.010) 0.010 16.249 ( -0.000 -0.000 0.010) 0.010 17.663 ( 0.000 0.000 1.263) 1.263 19.296 ( -0.000 0.000 -0.808) 0.808 19.315 ( 0.000 0.000 0.022) 0.022 19.424 ( 0.000 0.000 -1.234) 1.234 19.424 ( 0.000 0.000 -1.234) 1.234 20.262 ( 0.000 0.000 -0.081) 0.081======================= Grid point 134 (18/120) =======================q-point: ( 0.09 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( 14.438 23.503 12.750) 30.388 0.865 ( 7.502 14.936 26.067) 30.966 1.510 ( 51.549 14.902 19.371) 57.049 3.588 ( -4.337 -11.488 -4.508) 13.081 3.830 ( 1.632 9.335 -6.813) 11.672 4.406 ( 3.352 0.192 1.112) 3.537 4.620 ( -28.487 -16.880 23.318) 40.499 6.089 ( -0.130 2.703 -4.805) 5.515 6.103 ( 0.158 0.864 -3.054) 3.178 7.744 ( -3.656 -2.859 0.394) 4.658 8.527 ( -6.058 -3.568 -6.006) 9.246 8.641 ( -0.130 -6.964 2.380) 7.361 9.155 ( -10.708 -1.511 -2.634) 11.130 9.361 ( 3.907 6.939 -1.077) 8.036 9.660 ( 29.827 13.332 -17.862) 37.235 15.056 ( -3.420 5.755 -2.723) 7.227 15.132 ( 4.470 0.712 -0.242) 4.533 15.507 ( 6.534 -0.548 4.105) 7.735 15.987 ( 14.530 8.647 -9.148) 19.224 16.222 ( -2.392 -0.881 0.198) 2.557 16.676 ( 27.892 17.458 -24.741) 41.169 17.654 ( -0.760 -0.583 1.140) 1.489 19.291 ( -4.987 -0.773 -0.825) 5.114 19.318 ( 1.866 1.158 -0.763) 2.324 19.396 ( -1.177 -0.266 -1.207) 1.707 19.423 ( -0.095 0.949 -0.819) 1.256 20.193 ( -1.344 -6.547 -3.001) 7.326======================= Grid point 135 (19/120) =======================q-point: ( 0.18 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( 12.398 12.760 16.585) 24.323 1.325 ( 19.312 23.544 3.888) 30.698 2.595 ( 52.053 18.165 6.803) 55.549 3.359 ( -8.273 -11.002 -2.009) 13.911 3.874 ( -5.303 5.292 -5.772) 9.457 4.214 ( -9.142 -4.960 13.405) 16.967 4.447 ( 1.801 -2.829 0.523) 3.395 6.076 ( -1.416 -0.464 -2.115) 2.587 6.160 ( 2.758 4.227 -4.469) 6.742 7.642 ( -4.314 -3.471 0.194) 5.540 8.334 ( -10.177 -6.657 -5.356) 13.288 8.543 ( -1.668 -9.790 1.289) 10.014 8.853 ( -20.021 -4.005 -1.480) 20.471 9.520 ( 6.471 6.495 -0.355) 9.175 10.068 ( 12.598 5.664 -4.620) 14.565 15.054 ( -2.713 4.505 -2.202) 5.701 15.223 ( 4.918 0.051 1.410) 5.116 15.674 ( 10.711 4.365 2.536) 11.841 16.164 ( -2.738 -0.238 0.615) 2.816 16.243 ( 10.134 6.793 -4.457) 12.989 17.060 ( 5.701 5.919 -8.387) 11.742 17.619 ( -2.252 -1.738 0.880) 2.978 19.147 ( -10.082 0.222 -4.737) 11.141 19.356 ( -0.674 -1.462 -1.865) 2.464 19.387 ( 2.473 1.454 -0.076) 2.870 19.445 ( 1.061 0.522 1.601) 1.990 20.118 ( 0.965 -8.481 -7.063) 11.079======================= Grid point 136 (20/120) =======================q-point: ( 0.27 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 11.751 12.170 9.943) 19.623 1.882 ( 20.736 18.385 -2.105) 27.792 3.110 ( -8.895 -7.521 0.799) 11.676 3.424 ( 15.908 1.597 -0.030) 15.988 3.870 ( 8.885 4.980 -7.080) 12.405 4.229 ( 12.515 12.528 12.106) 21.451 4.390 ( -3.092 -6.970 1.234) 7.724 6.049 ( -0.363 -1.512 -1.590) 2.224 6.272 ( 4.512 5.531 -3.838) 8.104 7.539 ( -4.197 -2.199 -0.208) 4.743 8.064 ( -11.622 -8.912 -3.999) 15.182 8.349 ( -7.765 -24.517 -2.877) 25.878 8.455 ( -21.313 7.738 1.761) 22.743 9.694 ( 5.982 6.191 -0.001) 8.609 10.289 ( 8.267 3.970 0.672) 9.195 15.052 ( -1.589 2.577 -1.579) 3.415 15.283 ( 2.401 -1.087 1.667) 3.119 15.942 ( 13.001 6.786 1.970) 14.797 16.144 ( 0.392 1.948 1.375) 2.416 16.496 ( 10.108 8.359 -6.457) 14.620 17.103 ( -2.999 1.841 5.124) 6.216 17.536 ( -4.597 -3.297 0.734) 5.704 18.973 ( -9.754 -0.316 -7.253) 12.159 19.310 ( -2.041 -1.598 -2.716) 3.754 19.454 ( 1.993 -0.403 2.214) 3.006 19.474 ( 3.412 1.016 0.975) 3.691 20.046 ( 0.173 -8.242 -7.010) 10.822======================= Grid point 137 (21/120) =======================q-point: ( 0.36 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 9.353 8.766 6.180) 14.231 2.360 ( 14.539 13.301 -8.517) 21.468 2.921 ( -7.191 -1.307 3.100) 7.939 3.377 ( -3.659 -4.436 1.438) 5.927 3.994 ( 0.731 -3.545 -0.751) 3.696 4.217 ( -5.200 -8.314 0.188) 9.808 4.968 ( 39.502 22.759 3.513) 45.724 6.038 ( 1.099 -2.033 -1.282) 2.643 6.408 ( 4.135 5.163 -2.900) 7.222 7.445 ( -6.217 -0.803 -3.373) 7.119 7.766 ( -15.188 -10.566 -0.186) 18.503 7.871 ( -15.494 -13.241 -1.690) 20.452 8.261 ( -8.734 -1.387 0.468) 8.856 9.835 ( 3.845 4.874 0.415) 6.222 10.437 ( 5.075 2.858 2.434) 6.312 15.051 ( -0.573 0.920 -1.096) 1.542 15.285 ( -0.361 -1.275 0.925) 1.616 16.168 ( 5.661 3.720 4.864) 8.339 16.271 ( 9.940 5.449 -0.682) 11.356 16.732 ( 7.211 8.185 -8.082) 13.576 17.048 ( -4.573 2.886 8.906) 10.419 17.394 ( -7.169 -4.778 0.909) 8.663 18.818 ( -6.855 -1.665 -6.000) 9.261 19.263 ( -2.160 -0.305 -4.354) 4.870 19.465 ( 2.160 -3.162 4.083) 5.598 19.558 ( 3.859 1.824 -0.891) 4.360 19.963 ( -0.868 -7.158 -5.066) 8.812======================= Grid point 138 (22/120) =======================q-point: ( 0.45 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( 4.254 3.295 2.934) 6.128 2.569 ( 0.632 4.882 1.279) 5.086 2.839 ( -6.468 6.605 -14.912) 17.545 3.440 ( 13.980 1.674 8.507) 16.450 3.776 ( -12.580 -13.109 7.474) 19.646 4.161 ( 1.813 -2.195 -4.022) 4.927 5.804 ( 31.865 14.998 -2.011) 35.275 6.040 ( 1.568 -2.490 -1.225) 3.188 6.429 ( -7.144 -2.825 -1.749) 7.879 7.232 ( -10.768 -7.288 -3.942) 13.587 7.421 ( -12.606 5.632 -3.399) 14.218 7.699 ( 1.338 -6.996 5.072) 8.744 8.131 ( -3.783 -1.513 -0.917) 4.176 9.914 ( 0.689 2.935 0.702) 3.096 10.516 ( 1.597 1.305 2.947) 3.597 15.050 ( 0.084 -0.160 -0.848) 0.867 15.264 ( -0.758 -0.222 0.374) 0.874 16.284 ( 4.136 1.697 5.407) 7.015 16.427 ( 2.675 1.140 -0.015) 2.908 16.911 ( 5.444 7.700 -3.252) 9.975 17.025 ( -4.508 5.213 1.517) 7.057 17.217 ( -6.466 -4.135 1.645) 7.849 18.720 ( -2.122 -1.776 -3.237) 4.258 19.235 ( -1.503 1.078 -5.690) 5.983 19.470 ( 2.415 -3.948 4.319) 6.330 19.628 ( 2.477 0.342 -2.332) 3.419 19.889 ( 0.114 -5.126 -2.809) 5.846======================= Grid point 145 (23/120) =======================q-point: ( 0.09 0.09 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 10.656 18.457 15.462) 26.330 1.375 ( 13.701 23.731 15.902) 31.682 2.147 ( 26.232 45.436 3.695) 52.595 3.363 ( -6.498 -11.255 -4.974) 13.916 3.953 ( 1.503 2.604 -2.297) 3.784 4.285 ( -7.570 -13.111 14.305) 20.829 4.407 ( -0.283 -0.490 -0.885) 1.051 6.096 ( -0.836 -1.447 -2.022) 2.624 6.157 ( 2.207 3.823 -3.708) 5.766 7.663 ( -2.698 -4.673 -0.088) 5.397 8.393 ( -5.580 -9.664 -5.632) 12.500 8.464 ( -6.100 -10.566 -0.854) 12.231 9.220 ( -2.293 -3.971 2.595) 5.269 9.283 ( 0.071 0.123 -2.193) 2.197 10.012 ( 9.274 16.063 -7.384) 19.964 15.027 ( -2.047 -3.545 0.549) 4.130 15.316 ( 6.363 11.020 -1.195) 12.781 15.543 ( 2.945 5.101 2.351) 6.342 16.188 ( -1.274 -2.206 1.075) 2.765 16.189 ( 6.633 11.488 -4.185) 13.910 17.028 ( 7.049 12.209 -13.453) 19.487 17.628 ( -1.246 -2.158 0.814) 2.621 19.258 ( -1.714 -2.969 -3.066) 4.599 19.351 ( -0.109 -0.189 -1.895) 1.908 19.375 ( 0.355 0.615 -0.405) 0.817 19.439 ( -0.193 -0.335 2.183) 2.217 20.042 ( -3.765 -6.521 -8.705) 11.509======================= Grid point 146 (24/120) =======================q-point: ( 0.18 0.09 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 10.486 19.953 11.019) 25.090 1.830 ( 12.108 25.538 8.009) 29.375 3.052 ( 31.837 24.629 -4.372) 40.488 3.145 ( -6.176 -10.132 -2.423) 12.111 3.902 ( -5.409 -3.129 -1.500) 6.426 4.198 ( 3.724 6.061 11.573) 13.585 4.366 ( -1.822 -5.294 -2.089) 5.975 6.047 ( -1.846 -2.817 -2.094) 3.966 6.255 ( 3.830 5.442 -2.744) 7.198 7.578 ( -2.765 -2.269 0.132) 3.579 8.152 ( -10.230 -11.602 -5.051) 16.272 8.219 ( -5.347 -18.864 -2.807) 19.807 8.950 ( -23.771 8.656 1.771) 25.360 9.443 ( 17.000 -10.883 0.448) 20.190 10.278 ( 5.703 12.786 -0.721) 14.018 14.963 ( 0.921 -7.445 0.651) 7.530 15.462 ( -5.433 17.260 -0.062) 18.095 15.747 ( 15.044 3.098 1.043) 15.395 16.153 ( -0.582 -0.682 2.354) 2.519 16.444 ( 8.617 12.779 -4.262) 15.991 17.147 ( 0.154 2.379 2.806) 3.682 17.563 ( -2.951 -3.954 0.448) 4.954 19.151 ( -9.251 0.070 -5.426) 10.725 19.307 ( -0.417 -3.417 -3.202) 4.702 19.413 ( 0.221 -3.830 4.905) 6.227 19.441 ( 2.792 3.292 0.048) 4.317 19.949 ( 0.288 -7.428 -12.410) 14.466======================= Grid point 147 (25/120) =======================q-point: ( 0.27 0.09 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 5.107 21.067 8.268) 23.201 2.296 ( 13.513 22.623 -0.970) 26.369 2.968 ( -3.930 -6.436 2.535) 7.955 3.406 ( -2.328 -3.601 -1.385) 4.506 3.908 ( 6.472 0.637 -5.839) 8.740 4.224 ( -6.077 -9.436 -1.544) 11.329 4.606 ( 27.263 22.623 6.975) 36.107 5.994 ( -0.050 -4.176 -2.595) 4.917 6.386 ( 4.471 5.603 -1.690) 7.365 7.528 ( -3.443 1.142 0.412) 3.651 7.820 ( -10.089 -17.682 -3.601) 20.674 7.925 ( -8.514 -15.233 -4.317) 17.977 8.622 ( -23.960 8.648 2.288) 25.575 9.612 ( 15.368 -11.683 1.356) 19.352 10.469 ( 2.461 11.776 1.947) 12.187 14.911 ( 3.140 -10.181 0.088) 10.655 15.506 ( -8.361 16.340 0.111) 18.355 16.049 ( 13.571 4.494 1.464) 14.370 16.178 ( 4.094 1.560 2.513) 5.051 16.710 ( 7.142 11.510 -5.039) 14.453 17.139 ( -2.317 2.789 10.555) 11.161 17.446 ( -5.118 -5.894 0.406) 7.817 18.966 ( -11.181 -0.482 -5.492) 12.466 19.277 ( -0.240 -1.760 -6.001) 6.258 19.381 ( 2.077 -6.213 5.235) 8.385 19.522 ( 2.964 2.838 -0.385) 4.122 19.885 ( 0.580 -7.433 -10.568) 12.933======================= Grid point 148 (26/120) =======================q-point: ( 0.36 0.09 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.081 ( -1.024 19.860 5.099) 20.530 2.634 ( 1.157 12.031 -2.640) 12.371 2.955 ( 3.624 6.139 -1.653) 7.318 3.275 ( 0.615 -5.461 4.343) 7.005 3.872 ( -11.115 -9.114 1.491) 14.451 4.084 ( 2.981 -4.514 -5.021) 7.381 5.374 ( 34.253 16.956 -0.982) 38.232 5.966 ( 2.074 -5.072 -3.113) 6.302 6.469 ( -0.492 -0.452 -0.686) 0.958 7.327 ( -11.426 -12.385 -5.045) 17.589 7.643 ( -4.302 -8.801 0.537) 9.811 7.671 ( -5.152 6.005 -0.353) 7.920 8.322 ( -17.955 4.882 1.660) 18.681 9.728 ( 12.327 -13.116 1.892) 18.099 10.592 ( -1.026 10.342 3.002) 10.818 14.872 ( 4.973 -11.526 -0.450) 12.562 15.510 ( -9.608 16.146 0.098) 18.789 16.219 ( 4.956 1.904 4.852) 7.193 16.348 ( 8.623 2.483 -0.682) 9.000 16.878 ( 4.388 3.885 0.997) 5.945 17.178 ( -1.857 11.917 5.774) 13.371 17.276 ( -6.694 -7.130 0.856) 9.817 18.787 ( -7.707 -1.303 -4.290) 8.916 19.261 ( -0.735 0.127 -7.899) 7.934 19.364 ( 3.599 -7.186 4.770) 9.346 19.592 ( 2.515 1.488 -1.826) 3.446 19.823 ( 0.541 -6.584 -7.032) 9.649======================= Grid point 149 (27/120) =======================q-point: ( 0.45 0.09 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( -9.253 16.026 2.375) 18.657 2.668 ( -2.927 5.069 9.413) 11.085 2.996 ( -4.571 7.917 -19.026) 21.108 3.493 ( 2.789 -4.831 15.435) 16.412 3.518 ( 1.967 -3.406 -1.395) 4.173 4.104 ( 2.138 -3.704 -5.319) 6.825 5.902 ( 4.745 -8.219 -5.010) 10.731 5.952 ( 2.903 -5.028 -3.943) 7.019 6.346 ( 1.259 -2.180 0.645) 2.599 7.153 ( 0.510 -0.883 -3.198) 3.356 7.517 ( 0.729 -1.263 -5.410) 5.603 7.717 ( -7.224 12.513 7.748) 16.395 8.168 ( -3.184 5.515 -0.039) 6.368 9.770 ( 8.707 -15.081 2.074) 17.537 10.635 ( -4.815 8.339 3.285) 10.174 14.857 ( 6.579 -11.395 -0.661) 13.174 15.506 ( -9.517 16.484 0.130) 19.034 16.281 ( 0.696 -1.206 4.546) 4.754 16.429 ( 0.631 -1.093 0.425) 1.332 16.975 ( 1.103 -1.911 5.814) 6.219 17.127 ( 0.425 -0.736 -0.321) 0.908 17.242 ( -6.876 11.910 1.181) 13.803 18.708 ( -0.574 0.994 -3.354) 3.545 19.255 ( -0.563 0.975 -8.389) 8.464 19.360 ( 4.199 -7.273 4.374) 9.469 19.625 ( 0.293 -0.508 -3.321) 3.372 19.790 ( 2.728 -4.725 -4.702) 7.202======================= Grid point 158 (28/120) =======================q-point: ( 0.18 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 12.281 21.271 6.694) 25.458 2.309 ( 13.205 22.872 6.970) 27.315 2.968 ( -4.284 -7.421 0.136) 8.570 3.384 ( 2.547 4.412 -4.990) 7.131 3.850 ( 0.725 1.256 -4.296) 4.534 4.233 ( -4.865 -8.426 -4.196) 10.596 4.488 ( 13.383 23.180 8.824) 28.183 5.972 ( -2.500 -4.330 -3.040) 5.851 6.374 ( 3.581 6.203 -1.063) 7.241 7.572 ( 1.077 1.865 2.014) 2.949 7.799 ( -12.363 -21.413 -4.517) 25.135 7.929 ( -7.045 -12.202 -5.585) 15.157 9.077 ( -2.118 -3.669 4.191) 5.960 9.216 ( -2.367 -4.099 -0.179) 4.737 10.514 ( 6.093 10.553 1.847) 12.324 14.828 ( -3.460 -5.993 0.492) 6.938 15.781 ( 3.672 6.361 0.869) 7.396 15.835 ( 7.936 13.746 -0.967) 15.901 16.152 ( 0.594 1.029 4.160) 4.327 16.707 ( 7.012 12.144 -4.028) 14.590 17.174 ( 1.019 1.765 10.882) 11.071 17.459 ( -3.811 -6.600 0.152) 7.623 19.130 ( -2.464 -4.268 -4.907) 6.954 19.212 ( -2.645 -4.581 -2.725) 5.951 19.326 ( -2.019 -3.496 1.926) 4.473 19.511 ( 2.066 3.579 -0.014) 4.133 19.836 ( -2.546 -4.410 -13.196) 14.145======================= Grid point 159 (29/120) =======================q-point: ( 0.27 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.295 ( 4.587 23.927 5.067) 24.884 2.735 ( 8.616 20.076 -0.474) 21.852 2.872 ( 2.440 -2.317 6.166) 7.024 3.288 ( -6.355 -7.911 0.103) 10.148 3.925 ( 1.909 0.854 -5.063) 5.478 4.025 ( -6.793 -10.487 -4.525) 13.289 5.048 ( 23.416 21.245 0.425) 31.620 5.896 ( -0.491 -5.163 -4.222) 6.688 6.463 ( 0.823 0.641 0.526) 1.169 7.379 ( -11.426 -16.753 -6.111) 21.179 7.624 ( -1.752 -4.504 3.933) 6.231 7.753 ( -0.112 3.046 -5.098) 5.940 8.780 ( -25.558 6.972 3.202) 26.685 9.307 ( 17.168 -18.222 2.293) 25.141 10.687 ( 2.358 9.491 3.183) 10.284 14.729 ( -0.069 -7.801 -0.218) 7.804 15.822 ( -7.343 14.334 0.167) 16.107 16.141 ( 10.543 5.391 0.787) 11.867 16.212 ( 6.219 2.065 3.373) 7.370 16.851 ( 1.831 1.646 2.164) 3.278 17.288 ( 3.346 11.849 8.329) 14.865 17.304 ( -4.946 -7.279 0.896) 8.846 18.951 ( -11.816 -1.147 -2.967) 12.236 19.185 ( 5.241 -9.345 -2.051) 10.909 19.283 ( -0.593 -1.185 -4.825) 5.004 19.575 ( 1.769 2.355 -0.693) 3.026 19.761 ( -0.766 -5.255 -9.695) 11.054======================= Grid point 160 (30/120) =======================q-point: ( 0.36 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( -5.733 23.639 3.139) 24.526 2.778 ( -4.204 4.151 8.125) 10.046 3.104 ( -3.778 -1.236 -7.789) 8.745 3.243 ( 18.776 9.385 4.931) 21.562 3.667 ( -16.589 -10.560 -1.272) 19.706 4.018 ( 3.713 -2.817 -5.306) 7.063 5.619 ( 22.129 8.358 -4.150) 24.016 5.856 ( 1.874 -5.397 -5.113) 7.667 6.335 ( -7.118 -12.908 0.407) 14.746 7.162 ( -2.516 -2.205 -5.511) 6.447 7.475 ( -2.458 -7.672 -2.801) 8.530 7.952 ( 3.221 19.724 4.107) 20.403 8.416 ( -21.132 4.298 2.729) 21.737 9.388 ( 14.268 -20.438 2.902) 25.094 10.778 ( -1.722 7.693 3.765) 8.736 14.675 ( 2.946 -7.935 -0.700) 8.493 15.829 ( -8.713 15.232 0.214) 17.549 16.259 ( 2.208 2.261 4.582) 5.566 16.372 ( 5.538 -0.041 0.102) 5.539 16.894 ( 4.673 -0.852 6.209) 7.818 17.119 ( -4.829 -8.265 1.220) 9.649 17.475 ( -1.803 15.656 5.290) 16.624 18.775 ( -6.603 0.331 -3.597) 7.527 19.182 ( 5.827 -10.383 0.436) 11.914 19.275 ( -0.458 0.817 -9.516) 9.562 19.615 ( 0.916 0.780 -2.800) 3.047 19.709 ( 0.929 -4.795 -5.308) 7.214======================= Grid point 166 (31/120) =======================q-point: (-0.09 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( -14.205 24.605 2.859) 28.554 1.049 ( -8.601 14.898 16.705) 23.979 2.408 ( -28.648 49.619 12.790) 58.706 3.510 ( 6.083 -10.535 2.072) 12.340 3.782 ( 1.079 -1.869 -12.271) 12.459 4.282 ( 7.807 -13.521 16.288) 22.563 4.475 ( -1.680 2.910 1.565) 3.707 6.090 ( 0.365 -0.632 -2.080) 2.204 6.097 ( -1.272 2.203 -5.968) 6.488 7.683 ( 2.425 -4.201 0.453) 4.872 8.402 ( 5.120 -8.869 -5.393) 11.574 8.581 ( 5.185 -8.980 3.768) 11.033 9.117 ( 2.831 -4.904 -1.554) 5.872 9.252 ( 0.688 -1.191 -4.019) 4.248 10.041 ( -9.113 15.785 -5.954) 19.174 14.947 ( 2.036 -3.527 -2.168) 4.614 15.298 ( -6.073 10.519 -1.018) 12.189 15.607 ( -3.072 5.321 4.544) 7.641 16.167 ( 2.007 -3.476 0.084) 4.015 16.176 ( -5.916 10.248 -4.965) 12.832 16.981 ( -5.861 10.152 -14.095) 18.333 17.635 ( 0.991 -1.716 1.086) 2.259 19.144 ( 5.099 -8.832 -4.281) 11.061 19.356 ( -1.345 2.329 -1.001) 2.870 19.394 ( 0.811 -1.405 -0.307) 1.651 19.427 ( -1.325 2.294 0.224) 2.659 20.217 ( 0.254 -0.440 -4.762) 4.789======================= Grid point 170 (32/120) =======================q-point: ( 0.27 0.27 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.736 ( 10.740 18.603 4.628) 21.974 2.833 ( 0.447 0.774 7.181) 7.237 3.110 ( 8.879 15.379 0.211) 17.760 3.122 ( -4.520 -7.829 -0.390) 9.049 3.778 ( -7.673 -13.291 -4.624) 16.028 3.959 ( 0.606 1.050 -5.004) 5.148 5.449 ( 11.324 19.614 -3.590) 22.931 5.809 ( -1.860 -3.221 -5.694) 6.801 6.329 ( -8.423 -14.589 0.411) 16.850 7.176 ( -1.315 -2.278 -6.640) 7.142 7.458 ( -5.093 -8.822 -2.346) 10.453 8.011 ( 10.661 18.465 3.129) 21.550 8.851 ( -4.982 -8.629 4.813) 11.065 8.947 ( -5.285 -9.154 2.243) 10.805 10.832 ( 2.917 5.052 3.967) 7.055 14.609 ( -2.417 -4.186 -0.711) 4.886 16.024 ( 3.260 5.646 0.715) 6.559 16.262 ( 2.065 3.576 5.116) 6.575 16.273 ( 3.665 6.348 -1.190) 7.426 16.844 ( -0.043 -0.075 6.826) 6.827 17.121 ( -5.581 -9.666 1.158) 11.221 17.572 ( 7.606 13.174 7.445) 16.936 18.899 ( -3.014 -5.220 -1.398) 6.187 19.012 ( -3.055 -5.291 -3.319) 6.953 19.284 ( 0.372 0.645 -10.858) 10.884 19.611 ( 0.738 1.279 -1.286) 1.958 19.675 ( -1.906 -3.301 -6.233) 7.305======================= Grid point 171 (33/120) =======================q-point: ( 0.36 0.27 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.855 ( -2.378 4.119 10.388) 11.425 2.928 ( -4.956 8.583 10.959) 14.776 3.040 ( -2.756 4.773 -7.213) 9.078 3.336 ( 4.665 -8.080 -6.115) 11.155 3.558 ( -1.525 2.642 -0.827) 3.161 3.971 ( 0.897 -1.553 -4.939) 5.254 5.751 ( -3.333 5.774 -4.068) 7.810 5.776 ( 1.300 -2.251 -6.400) 6.908 6.056 ( 6.879 -11.915 -1.450) 13.835 7.198 ( -2.303 3.989 -5.008) 6.804 7.340 ( 3.289 -5.697 -3.807) 7.601 8.364 ( -9.059 15.691 5.509) 18.937 8.511 ( -5.647 9.780 3.296) 11.765 8.945 ( 13.506 -23.393 3.473) 27.234 10.883 ( -1.570 2.720 4.232) 5.270 14.567 ( 1.619 -2.805 -0.912) 3.364 16.073 ( -4.606 7.978 0.733) 9.241 16.304 ( -1.147 1.986 3.730) 4.379 16.348 ( 1.217 -2.109 1.139) 2.688 16.880 ( 0.036 -0.063 5.696) 5.697 16.976 ( 2.960 -5.126 2.605) 6.467 17.720 ( -4.284 7.421 8.493) 12.064 18.816 ( -2.439 4.225 -3.777) 6.169 18.974 ( 5.464 -9.464 -2.551) 11.221 19.293 ( -0.397 0.688 -12.763) 12.788 19.624 ( -0.132 0.229 -3.176) 3.186 19.640 ( 1.149 -1.990 -2.723) 3.563======================= Grid point 177 (34/120) =======================q-point: (-0.18 0.27 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( -10.775 16.785 7.716) 21.386 1.595 ( -22.628 20.141 -1.717) 30.342 3.247 ( 9.927 -6.117 2.487) 11.922 3.364 ( -22.479 31.783 6.132) 39.409 3.728 ( -5.228 -2.482 -9.474) 11.102 4.129 ( 0.588 -2.293 11.175) 11.423 4.487 ( 2.799 0.334 2.532) 3.789 6.070 ( 1.133 -0.158 -1.308) 1.738 6.178 ( -5.128 2.126 -5.569) 7.863 7.586 ( 4.117 -3.690 -0.014) 5.529 8.191 ( 9.048 -8.360 -3.728) 12.871 8.336 ( 6.840 -19.132 1.716) 20.391 8.852 ( 24.281 8.775 -1.893) 25.888 9.380 ( -17.813 -13.231 -2.084) 22.287 10.295 ( -5.061 12.231 -0.039) 13.237 14.903 ( -2.543 -7.086 -1.516) 7.680 15.472 ( 3.175 16.779 0.298) 17.079 15.777 ( -12.494 3.709 2.778) 13.326 16.108 ( 0.246 -2.943 0.354) 2.974 16.397 ( -8.047 9.726 -6.457) 14.179 17.066 ( -0.562 -1.756 0.234) 1.859 17.578 ( 3.026 -3.181 1.033) 4.510 18.978 ( 4.508 -7.471 -8.094) 11.902 19.335 ( 2.184 -2.397 -0.975) 3.386 19.431 ( -2.692 2.926 -0.261) 3.984 19.475 ( -1.404 2.219 1.768) 3.166 20.175 ( 4.248 0.322 -3.605) 5.581======================= Grid point 189 (35/120) =======================q-point: (-0.27 0.36 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -9.217 17.068 3.691) 19.746 2.150 ( -18.896 17.486 -6.383) 26.525 2.981 ( 9.927 -8.592 2.886) 13.442 3.438 ( 4.817 -5.440 -0.999) 7.334 4.040 ( -1.099 4.794 -2.212) 5.393 4.365 ( 7.227 -1.731 4.097) 8.486 4.548 ( -34.905 26.060 7.168) 44.145 6.055 ( 0.263 -0.176 -0.170) 0.359 6.304 ( -6.592 2.151 -4.817) 8.443 7.470 ( 4.686 -4.772 -2.490) 7.136 7.908 ( 13.495 -16.684 -0.510) 21.465 8.011 ( 8.557 -10.975 -0.710) 13.935 8.528 ( 22.362 8.232 -1.269) 23.863 9.545 ( -16.819 -14.275 -1.123) 22.089 10.469 ( -2.122 10.623 1.932) 11.004 14.883 ( -4.539 -9.565 -0.921) 10.627 15.525 ( 8.956 16.251 0.810) 18.573 16.058 ( -11.565 4.079 3.190) 12.671 16.140 ( -7.959 0.738 -0.043) 7.993 16.627 ( -7.696 8.294 -10.149) 15.200 17.008 ( 1.679 -5.887 6.775) 9.131 17.464 ( 5.582 -5.093 1.110) 7.637 18.848 ( 3.858 -4.198 -7.947) 9.781 19.268 ( 2.017 -3.245 -1.592) 4.139 19.498 ( -1.069 2.545 1.305) 3.054 19.529 ( -2.679 3.018 0.919) 4.139 20.087 ( 5.799 -0.288 -1.767) 6.069======================= Grid point 190 (36/120) =======================q-point: (-0.18 0.36 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( -10.680 18.498 0.002) 21.360 2.070 ( -15.096 26.148 -2.794) 30.322 3.042 ( 6.687 -11.582 3.372) 13.793 3.443 ( 4.810 -8.332 -3.540) 10.251 4.055 ( -2.489 4.312 -2.202) 5.444 4.342 ( -21.455 37.161 10.208) 44.107 4.441 ( 3.081 -5.337 4.185) 7.449 6.056 ( 0.623 -1.080 0.308) 1.284 6.253 ( -2.869 4.969 -5.763) 8.132 7.491 ( 3.503 -6.067 -2.290) 7.370 7.925 ( 12.425 -21.520 0.002) 24.850 8.036 ( 3.912 -6.776 -0.781) 7.863 8.998 ( 1.624 -2.812 1.358) 3.520 9.098 ( 3.741 -6.479 -4.826) 8.903 10.509 ( -5.322 9.218 1.693) 10.777 14.791 ( 2.589 -4.484 -0.882) 5.253 15.830 ( -3.145 5.447 2.738) 6.859 15.833 ( -8.655 14.991 -0.684) 17.323 16.073 ( -0.086 0.149 0.922) 0.938 16.607 ( -6.278 10.873 -10.080) 16.101 16.992 ( 3.070 -5.318 5.466) 8.220 17.486 ( 3.591 -6.219 1.211) 7.283 18.861 ( 2.483 -4.300 -8.895) 10.187 19.269 ( 2.316 -4.011 -0.461) 4.654 19.496 ( -2.038 3.529 -0.503) 4.106 19.524 ( -1.540 2.668 2.346) 3.872 20.138 ( 2.160 -3.741 -0.327) 4.332======================= Grid point 201 (37/120) =======================q-point: (-0.36 0.45 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.016 ( -4.481 17.662 2.732) 18.425 2.511 ( -5.093 8.966 -11.370) 15.350 2.759 ( 4.273 -9.557 -1.195) 10.536 3.407 ( -5.150 4.072 5.721) 8.708 4.003 ( 11.023 -1.449 4.999) 12.190 4.200 ( 3.510 -1.551 0.245) 3.845 5.433 ( -35.689 22.264 1.831) 42.104 6.056 ( -0.465 -0.324 0.554) 0.793 6.409 ( -3.056 -1.718 -3.227) 4.765 7.329 ( 5.000 -6.258 -7.711) 11.119 7.435 ( 16.732 -18.557 -1.042) 25.008 7.863 ( 6.299 4.437 3.381) 8.413 8.268 ( 14.143 3.519 -0.887) 14.601 9.662 ( -13.926 -15.766 -0.595) 21.045 10.577 ( 0.795 8.858 2.451) 9.225 14.868 ( -5.656 -11.055 -0.572) 12.431 15.514 ( 10.267 15.945 0.266) 18.967 16.208 ( -6.871 1.476 4.867) 8.548 16.365 ( -8.571 3.098 0.141) 9.115 16.801 ( -5.166 4.424 -10.827) 12.786 16.943 ( -1.602 -4.597 4.403) 6.563 17.291 ( 7.286 -6.585 1.436) 9.926 18.765 ( 3.095 -0.367 -4.394) 5.387 19.210 ( 0.492 -3.656 -3.020) 4.768 19.525 ( 0.638 2.827 2.716) 3.972 19.612 ( -2.969 2.783 -0.908) 4.169 19.984 ( 5.161 -0.626 0.249) 5.205======================= Grid point 202 (38/120) =======================q-point: (-0.27 0.45 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.081 ( -8.164 16.705 -4.036) 19.026 2.540 ( -9.827 18.902 -5.411) 21.981 2.822 ( 9.100 -4.017 2.136) 10.174 3.332 ( -2.461 -4.225 1.282) 5.055 4.090 ( 0.104 1.616 1.326) 2.093 4.270 ( 8.508 -7.814 5.316) 12.716 5.122 ( -27.384 28.817 4.191) 39.974 6.038 ( -0.093 -1.398 1.512) 2.061 6.344 ( -3.014 1.025 -4.342) 5.384 7.350 ( 4.900 -6.841 -6.511) 10.640 7.498 ( 12.661 -19.544 -2.046) 23.377 7.961 ( 1.528 1.978 2.685) 3.668 8.677 ( 25.347 6.504 -1.242) 26.197 9.197 ( -18.375 -20.071 -1.585) 27.258 10.657 ( -1.952 7.969 2.078) 8.464 14.719 ( -0.704 -6.844 -0.556) 6.903 15.840 ( 8.590 14.062 0.699) 16.493 16.121 ( -4.775 3.119 3.101) 6.492 16.193 ( -14.834 4.904 -0.166) 15.624 16.793 ( -3.212 6.351 -11.531) 13.550 16.888 ( 0.718 -4.294 3.799) 5.778 17.332 ( 5.965 -8.312 1.446) 10.333 18.806 ( 1.564 -0.170 -6.154) 6.352 19.185 ( 1.898 -5.011 -0.823) 5.421 19.555 ( -0.536 3.232 0.576) 3.326 19.587 ( -2.895 2.701 1.064) 4.100 20.043 ( 4.043 -3.750 2.403) 6.015======================= Grid point 211 (39/120) =======================q-point: (-0.45 0.55 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 8.939 15.483 2.145) 18.006 2.535 ( -0.843 -1.460 3.627) 4.000 2.690 ( -2.664 -4.614 -20.107) 20.801 3.644 ( 1.530 2.649 4.201) 5.197 3.722 ( 2.603 4.508 13.104) 14.100 4.187 ( -0.042 -0.072 -2.018) 2.019 6.036 ( -1.819 -3.151 0.216) 3.645 6.055 ( -0.201 -0.349 0.343) 0.529 6.305 ( -1.721 -2.982 -1.272) 3.670 7.145 ( -0.725 -1.255 -2.858) 3.204 7.247 ( -2.241 -3.881 -9.075) 10.121 7.843 ( 5.666 9.813 5.802) 12.730 8.152 ( 2.358 4.085 -1.284) 4.889 9.705 ( -10.273 -17.793 -0.416) 20.549 10.614 ( 4.007 6.940 2.531) 8.404 14.861 ( -6.520 -11.293 -0.475) 13.049 15.503 ( 9.567 16.570 0.057) 19.133 16.300 ( -0.956 -1.657 6.354) 6.636 16.428 ( -0.600 -1.039 0.505) 1.301 16.906 ( -0.158 -0.274 -14.151) 14.154 16.941 ( -2.004 -3.471 4.259) 5.848 17.154 ( -1.218 -2.109 1.940) 3.114 18.737 ( 1.307 2.263 -2.091) 3.347 19.187 ( -1.745 -3.023 -3.878) 5.217 19.534 ( 1.550 2.684 2.928) 4.263 19.659 ( 0.531 0.919 -2.005) 2.269 19.928 ( 0.781 1.352 1.657) 2.277======================= Grid point 213 (40/120) =======================q-point: (-0.36 0.55 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.348 ( -6.653 11.224 -5.117) 14.015 2.582 ( 6.053 -7.204 -1.983) 9.616 2.767 ( 9.496 19.138 -6.736) 22.401 3.527 ( -16.061 7.385 6.704) 18.906 3.921 ( 15.706 -7.625 7.193) 18.883 4.162 ( -1.457 -1.849 0.533) 2.414 5.789 ( -23.478 12.865 3.070) 26.948 6.031 ( -0.884 -1.779 2.074) 2.872 6.306 ( 4.732 -8.714 -1.011) 9.967 7.172 ( 6.763 -6.961 -4.552) 10.720 7.223 ( 2.715 -4.120 -10.717) 11.798 8.027 ( -0.042 12.369 4.349) 13.112 8.340 ( 17.543 3.281 -0.892) 17.870 9.278 ( -15.265 -22.159 -1.142) 26.933 10.733 ( 1.423 6.331 2.068) 6.810 14.681 ( -3.157 -7.524 -0.465) 8.173 15.830 ( 9.092 15.070 0.297) 17.602 16.239 ( -4.875 1.880 4.395) 6.828 16.390 ( -3.514 -0.447 0.932) 3.663 16.830 ( -5.541 -1.729 2.858) 6.469 16.941 ( -0.211 4.425 -15.476) 16.098 17.138 ( 4.943 -8.588 1.720) 10.057 18.795 ( 1.832 3.075 -2.326) 4.269 19.120 ( -0.815 -5.323 -2.003) 5.745 19.582 ( 0.914 2.922 1.297) 3.325 19.659 ( -2.057 1.750 -0.961) 2.867 19.948 ( 2.381 -2.536 4.933) 6.037======================= Grid point 214 (41/120) =======================q-point: (-0.27 0.55 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.331 ( -4.994 8.650 -9.614) 13.863 2.585 ( 3.462 -5.996 -2.601) 7.396 3.102 ( -11.621 20.128 -0.064) 23.242 3.309 ( -2.724 4.718 4.918) 7.339 4.041 ( 8.644 -14.973 5.906) 18.270 4.122 ( -0.601 1.041 1.596) 1.999 5.635 ( -12.915 22.369 4.300) 26.185 6.012 ( 0.570 -0.988 2.525) 2.771 6.297 ( 3.932 -6.810 -0.947) 7.921 7.203 ( 5.289 -9.161 -5.605) 11.972 7.225 ( 3.080 -5.334 -9.872) 11.636 8.080 ( -5.962 10.327 3.371) 12.391 8.768 ( 5.500 -9.526 -4.739) 11.978 8.788 ( 4.871 -8.437 2.398) 10.034 10.777 ( -2.374 4.112 1.893) 5.112 14.615 ( 2.096 -3.631 -0.468) 4.219 16.025 ( -2.693 4.665 0.540) 5.413 16.203 ( -2.946 5.103 3.079) 6.648 16.324 ( -3.555 6.157 0.905) 7.167 16.765 ( 0.699 -1.211 3.927) 4.168 16.966 ( -3.136 5.432 -16.894) 18.021 17.139 ( 6.218 -10.769 1.715) 12.553 18.833 ( -1.491 2.583 -3.225) 4.393 19.079 ( 3.074 -5.324 -0.650) 6.181 19.617 ( -1.356 2.349 -0.961) 2.878 19.636 ( -1.481 2.565 1.236) 3.209 19.957 ( 2.535 -4.390 6.053) 7.895======================= Grid point 225 (42/120) =======================q-point: (-0.36 0.64 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.442 ( 0.268 0.465 -9.637) 9.652 2.489 ( -0.963 -1.668 -4.699) 5.079 3.234 ( 14.230 24.647 2.170) 28.543 3.627 ( -3.323 -5.756 6.096) 9.019 3.703 ( -4.305 -7.457 4.512) 9.721 4.136 ( -0.447 -0.773 1.683) 1.905 5.945 ( 2.143 3.712 4.331) 6.094 6.001 ( -0.515 -0.893 2.852) 3.033 6.133 ( -3.622 -6.274 2.028) 7.523 7.125 ( 0.327 0.566 -8.224) 8.250 7.164 ( -1.201 -2.081 -10.891) 11.153 8.337 ( 7.784 13.482 3.894) 16.047 8.405 ( 4.710 8.159 -2.231) 9.681 8.815 ( -13.772 -23.854 -0.776) 27.555 10.818 ( 1.274 2.206 1.787) 3.112 14.579 ( -1.532 -2.654 -0.463) 3.099 16.065 ( 4.142 7.175 0.422) 8.296 16.283 ( 1.336 2.314 3.397) 4.322 16.358 ( -1.294 -2.241 2.055) 3.304 16.821 ( 0.648 1.122 2.695) 2.990 16.967 ( -3.351 -5.804 0.662) 6.734 17.025 ( 0.850 1.472 -17.656) 17.738 18.876 ( 2.653 4.595 -1.271) 5.456 19.009 ( -3.099 -5.368 -1.203) 6.314 19.638 ( 1.422 2.462 -0.379) 2.869 19.673 ( -0.261 -0.451 -1.218) 1.325 19.903 ( -0.854 -1.479 8.701) 8.867======================= Grid point 266 (43/120) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 0.000 0.000 24.348) 24.348 1.099 ( 0.000 -0.000 24.348) 24.348 1.702 ( 0.000 -0.000 36.157) 36.157 3.582 ( 0.000 0.000 -7.502) 7.502 3.582 ( 0.000 -0.000 -7.502) 7.502 4.420 ( 0.000 -0.000 2.982) 2.982 5.428 ( 0.000 0.000 0.109) 0.109 5.932 ( 0.000 0.000 -7.806) 7.806 5.932 ( 0.000 0.000 -7.806) 7.806 7.810 ( 0.000 -0.000 0.007) 0.007 8.546 ( 0.000 0.000 -5.883) 5.883 8.755 ( 0.000 -0.000 4.233) 4.233 8.755 ( 0.000 0.000 4.233) 4.233 9.288 ( -0.000 0.000 -0.751) 0.751 9.288 ( 0.000 0.000 -0.751) 0.751 15.012 ( 0.000 0.000 -2.573) 2.573 15.012 ( 0.000 0.000 -2.573) 2.573 15.580 ( 0.000 0.000 6.553) 6.553 15.580 ( 0.000 0.000 6.553) 6.553 16.250 ( 0.000 0.000 0.156) 0.156 16.250 ( 0.000 -0.000 0.156) 0.156 17.697 ( 0.000 0.000 1.990) 1.990 19.273 ( 0.000 -0.000 -1.292) 1.292 19.316 ( 0.000 0.000 0.038) 0.038 19.390 ( 0.000 0.000 -2.027) 2.027 19.390 ( 0.000 -0.000 -2.027) 2.027 20.260 ( 0.000 0.000 -0.127) 0.127======================= Grid point 267 (44/120) =======================q-point: ( 0.09 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( 2.684 18.151 18.821) 26.285 1.411 ( 9.727 6.928 25.103) 27.798 1.979 ( 31.946 6.796 23.727) 40.370 3.452 ( -2.403 -10.682 -8.021) 13.573 3.703 ( 0.012 10.450 -6.470) 12.291 4.437 ( 2.120 -0.841 1.831) 2.925 4.962 ( -25.340 -17.080 10.965) 32.466 5.952 ( 0.166 4.250 -7.628) 8.734 6.002 ( 1.947 1.326 -6.712) 7.114 7.757 ( -3.527 -2.732 1.036) 4.581 8.388 ( -7.378 -3.874 -6.756) 10.728 8.703 ( 0.851 -10.737 3.312) 11.269 9.089 ( -7.965 4.189 -3.130) 9.528 9.323 ( 4.193 16.996 -1.899) 17.609 9.466 ( 26.938 2.091 -3.347) 27.226 14.998 ( -3.074 5.463 -2.559) 6.771 15.108 ( 7.124 1.064 -2.012) 7.478 15.614 ( 5.629 -1.962 5.843) 8.347 15.860 ( 15.528 11.004 -1.811) 19.118 16.229 ( -2.121 -0.197 0.497) 2.187 16.431 ( 16.625 10.257 -4.663) 20.083 17.686 ( -0.980 -0.771 1.834) 2.217 19.266 ( -6.706 -1.934 -1.349) 7.109 19.295 ( 1.644 0.934 -1.460) 2.389 19.368 ( -0.396 -0.864 -1.521) 1.793 19.397 ( 0.611 1.280 -1.630) 2.161 20.168 ( -5.029 -6.719 -0.104) 8.394======================= Grid point 268 (45/120) =======================q-point: ( 0.18 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 11.265 18.655 8.018) 23.220 1.585 ( 3.002 11.656 21.235) 24.409 2.763 ( 43.377 9.004 7.753) 44.975 3.294 ( -2.633 -10.641 -3.646) 11.553 3.746 ( -7.099 8.935 -6.336) 13.053 4.454 ( 1.246 -4.532 0.346) 4.713 4.515 ( -9.901 -6.949 14.107) 18.582 5.998 ( -0.098 1.989 -5.408) 5.763 6.045 ( 2.604 3.812 -6.165) 7.702 7.654 ( -4.509 -3.463 1.200) 5.811 8.197 ( -9.254 -6.404 -7.311) 13.420 8.575 ( -0.723 -15.741 1.716) 15.851 8.813 ( -21.932 0.871 -2.333) 22.073 9.514 ( 5.887 8.547 -0.172) 10.379 9.980 ( 19.760 8.316 -3.350) 21.698 15.004 ( -2.388 5.043 -2.372) 6.063 15.245 ( 6.445 1.222 0.517) 6.580 15.742 ( 9.511 2.121 3.685) 10.418 16.141 ( 8.156 6.941 -3.713) 11.335 16.193 ( -1.456 1.196 1.364) 2.326 16.901 ( 18.164 13.121 -6.159) 23.238 17.644 ( -2.439 -2.038 1.512) 3.520 19.058 ( -13.773 -2.142 -3.590) 14.394 19.306 ( -0.856 -2.228 -2.916) 3.769 19.384 ( 2.780 1.607 -0.179) 3.217 19.441 ( 1.873 2.047 -1.834) 3.326 20.019 ( -1.266 -10.686 -2.106) 10.965======================= Grid point 269 (46/120) =======================q-point: ( 0.27 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 6.920 10.056 12.016) 17.129 1.829 ( 10.033 16.250 -1.414) 19.150 3.126 ( -2.554 -5.459 0.504) 6.048 3.445 ( 12.502 -1.336 2.079) 12.743 3.722 ( 6.630 6.278 -6.997) 11.503 4.391 ( -0.384 -6.544 0.891) 6.616 4.519 ( 10.378 7.326 12.986) 18.166 6.000 ( 0.665 -1.305 -3.080) 3.410 6.168 ( 4.805 6.856 -5.937) 10.263 7.537 ( -6.289 -2.120 0.163) 6.638 7.961 ( -8.575 -8.566 -5.550) 13.331 8.292 ( -12.108 -23.672 -2.552) 26.711 8.478 ( -17.838 6.475 0.491) 18.983 9.696 ( 5.825 7.395 0.285) 9.418 10.308 ( 11.464 5.396 1.112) 12.720 15.014 ( -1.298 3.307 -1.896) 4.027 15.321 ( 2.241 -1.449 1.754) 3.193 15.979 ( 12.977 5.530 1.171) 14.155 16.200 ( 1.162 3.553 4.115) 5.559 16.351 ( 6.689 8.484 -6.925) 12.833 17.214 ( 5.639 8.102 5.137) 11.128 17.558 ( -4.430 -3.488 1.369) 5.802 18.806 ( -11.935 -1.601 -8.148) 14.539 19.248 ( -2.204 -3.274 -3.412) 5.217 19.461 ( 3.235 2.352 -0.063) 4.000 19.487 ( 1.798 0.757 -1.424) 2.415 19.918 ( 1.912 -11.198 -4.036) 12.056======================= Grid point 270 (47/120) =======================q-point: ( 0.36 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( 4.710 7.534 8.354) 12.195 2.121 ( 7.623 11.819 -13.641) 19.592 3.017 ( -8.222 -0.885 5.922) 10.172 3.422 ( 1.659 -1.621 2.789) 3.628 3.938 ( 7.931 -1.013 -4.554) 9.202 4.242 ( -5.880 -11.034 1.969) 12.657 5.061 ( 31.967 16.941 5.138) 36.542 6.003 ( 2.149 -2.876 -1.936) 4.078 6.325 ( 4.531 6.785 -4.995) 9.567 7.364 ( -11.839 -2.644 -4.014) 12.778 7.751 ( -14.343 -9.193 -1.237) 17.081 7.834 ( -7.831 -12.093 -1.682) 14.505 8.270 ( -10.877 -0.553 0.200) 10.893 9.847 ( 3.723 5.929 0.676) 7.034 10.500 ( 6.177 3.468 3.390) 7.853 15.023 ( -0.318 1.372 -1.393) 1.981 15.308 ( -1.007 -1.939 1.142) 2.465 16.251 ( 10.864 4.940 -1.133) 11.988 16.295 ( 5.598 3.150 6.266) 8.973 16.552 ( 5.059 12.493 -8.410) 15.887 17.268 ( -5.170 3.963 12.183) 13.816 17.423 ( -6.517 -4.611 1.918) 8.210 18.653 ( -4.291 -0.803 -9.625) 10.569 19.174 ( -2.563 -2.974 -4.488) 5.963 19.515 ( 1.582 -0.353 0.321) 1.652 19.532 ( 2.537 0.965 -1.510) 3.107 19.856 ( 2.886 -9.759 -4.094) 10.970======================= Grid point 271 (48/120) =======================q-point: ( 0.45 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 0.675 1.917 1.849) 2.748 2.341 ( 3.425 11.492 -17.644) 21.334 2.827 ( -10.948 1.384 9.027) 14.257 3.563 ( 11.932 -0.032 3.995) 12.584 3.956 ( -4.319 -8.091 7.900) 12.105 4.055 ( 0.231 -5.233 -5.024) 7.258 5.751 ( 27.603 10.463 -2.944) 29.666 6.008 ( 1.899 -4.509 -1.784) 5.208 6.372 ( -5.685 -0.401 -3.730) 6.811 7.145 ( -6.028 -2.659 -3.969) 7.692 7.357 ( -16.248 0.024 -2.765) 16.482 7.794 ( 3.376 -3.282 3.780) 6.038 8.108 ( -5.623 -1.222 -1.176) 5.873 9.932 ( 0.348 3.872 0.937) 3.999 10.593 ( 1.787 1.560 4.183) 4.808 15.029 ( 0.251 -0.134 -1.085) 1.122 15.274 ( -1.052 -0.393 0.536) 1.244 16.400 ( 4.197 0.492 3.577) 5.536 16.421 ( 4.168 0.678 -0.713) 4.282 16.764 ( 1.180 15.961 -6.669) 17.338 17.171 ( -6.974 0.897 10.334) 12.499 17.273 ( -4.700 -2.622 3.959) 6.681 18.621 ( 0.467 -1.086 -6.348) 6.457 19.115 ( -1.225 -1.497 -6.033) 6.336 19.532 ( 1.371 -1.460 1.441) 2.467 19.567 ( 1.429 -0.735 -3.177) 3.560 19.824 ( 3.447 -7.648 -2.984) 8.904======================= Grid point 278 (49/120) =======================q-point: ( 0.09 0.09 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( 7.830 13.561 16.579) 22.805 1.708 ( 10.220 17.702 15.183) 25.462 2.330 ( 17.507 30.324 12.587) 37.208 3.254 ( -5.107 -8.845 -5.121) 11.425 3.865 ( 2.408 4.171 -6.500) 8.090 4.405 ( -1.364 -2.362 0.649) 2.804 4.580 ( -9.072 -15.714 13.312) 22.504 6.022 ( -0.117 -0.203 -5.017) 5.022 6.040 ( 2.744 4.753 -7.098) 8.972 7.676 ( -2.686 -4.653 1.487) 5.575 8.253 ( -5.444 -9.429 -7.389) 13.158 8.468 ( -7.422 -12.856 1.159) 14.890 9.223 ( 0.113 0.195 -3.307) 3.315 9.265 ( -1.400 -2.425 1.670) 3.260 9.882 ( 13.638 23.621 -4.461) 27.637 15.016 ( -1.370 -2.373 -1.446) 3.099 15.270 ( 6.934 12.009 -2.901) 14.167 15.626 ( 2.033 3.522 5.136) 6.551 16.104 ( 6.960 12.054 -3.154) 14.272 16.216 ( -0.480 -0.831 1.553) 1.826 16.796 ( 13.067 22.633 -8.039) 27.343 17.654 ( -1.473 -2.552 1.588) 3.347 19.183 ( -3.942 -6.827 -3.581) 8.659 19.298 ( -1.061 -1.838 -2.930) 3.617 19.369 ( 1.332 2.307 -0.235) 2.675 19.436 ( 1.341 2.323 -2.130) 3.425 19.963 ( -6.767 -11.721 0.255) 13.536======================= Grid point 279 (50/120) =======================q-point: ( 0.18 0.09 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( 8.768 14.029 10.125) 19.397 1.997 ( 0.760 23.977 7.972) 25.279 3.015 ( 25.599 14.580 -0.411) 29.462 3.118 ( 2.071 -6.188 0.870) 6.583 3.828 ( -6.989 -1.221 -5.210) 8.803 4.336 ( -1.516 -6.898 -0.426) 7.076 4.465 ( 3.400 3.934 12.944) 13.949 5.989 ( -1.492 -2.620 -3.465) 4.593 6.158 ( 4.307 6.900 -6.181) 10.216 7.595 ( -2.725 -1.603 1.664) 3.572 8.025 ( -9.326 -10.502 -6.811) 15.609 8.176 ( -6.769 -21.813 -1.274) 22.874 8.966 ( -23.846 10.343 -0.380) 25.995 9.446 ( 18.101 -10.922 -0.015) 21.141 10.269 ( 8.601 16.567 -0.065) 18.666 14.961 ( 0.271 -6.341 -0.782) 6.395 15.457 ( -3.033 16.607 -0.486) 16.889 15.779 ( 13.194 1.737 2.021) 13.460 16.213 ( 0.314 1.305 3.332) 3.592 16.342 ( 7.013 12.324 -4.969) 15.025 17.183 ( 9.306 13.366 0.555) 16.296 17.582 ( -3.033 -4.272 1.336) 5.407 18.995 ( -10.847 -4.177 -8.212) 14.232 19.241 ( -1.609 -4.120 -3.285) 5.509 19.439 ( 2.656 3.455 -0.040) 4.358 19.475 ( 0.876 1.047 -0.944) 1.659 19.771 ( -0.676 -12.670 -2.515) 12.935======================= Grid point 280 (51/120) =======================q-point: ( 0.27 0.09 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 5.759 15.553 6.389) 17.773 2.228 ( -0.847 23.102 -4.119) 23.482 3.044 ( 1.112 -3.100 4.465) 5.548 3.405 ( 1.995 -2.938 1.485) 3.849 3.786 ( 6.905 1.605 -5.913) 9.231 4.209 ( -3.474 -10.912 0.101) 11.452 4.767 ( 20.096 15.563 8.207) 26.710 5.938 ( 0.317 -4.945 -2.606) 5.599 6.314 ( 4.937 7.634 -4.938) 10.346 7.523 ( -8.647 -1.082 -1.131) 8.788 7.759 ( -4.875 -11.540 -1.830) 12.660 7.832 ( -7.985 -19.169 -4.301) 21.207 8.652 ( -23.810 9.505 0.489) 25.642 9.632 ( 15.817 -10.986 0.556) 19.265 10.520 ( 3.780 13.316 2.752) 14.113 14.904 ( 2.483 -9.737 -0.648) 10.070 15.513 ( -8.114 15.715 0.477) 17.693 16.063 ( 15.042 3.523 -0.071) 15.449 16.260 ( 2.767 2.825 4.918) 6.311 16.589 ( 6.443 14.116 -6.396) 16.784 17.360 ( 0.235 6.158 10.554) 12.222 17.466 ( -4.567 -5.756 1.630) 7.526 18.775 ( -10.278 -1.278 -11.882) 15.762 19.170 ( -1.458 -4.566 -4.543) 6.604 19.482 ( 0.803 -2.343 2.743) 3.696 19.511 ( 1.930 2.352 -0.547) 3.091 19.689 ( 3.855 -10.158 -6.157) 12.488======================= Grid point 281 (52/120) =======================q-point: ( 0.36 0.09 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.192 ( -3.734 16.638 5.203) 17.828 2.435 ( 0.885 18.781 -14.962) 24.028 3.010 ( -6.678 0.006 6.816) 9.542 3.375 ( 6.390 -2.584 4.272) 8.109 3.913 ( 3.503 -2.420 -1.205) 4.425 4.008 ( -4.496 -11.316 1.010) 12.218 5.361 ( 28.923 12.441 -0.090) 31.485 5.907 ( 2.563 -6.615 -2.395) 7.487 6.429 ( -0.209 2.455 -3.196) 4.035 7.215 ( -10.952 -13.458 -5.273) 18.135 7.530 ( -9.120 -9.544 -6.034) 14.514 7.768 ( 3.067 7.018 4.476) 8.871 8.350 ( -19.815 6.096 0.885) 20.751 9.760 ( 12.336 -12.280 1.054) 17.438 10.667 ( -0.638 11.006 3.934) 11.705 14.859 ( 4.645 -11.531 -0.747) 12.454 15.514 ( -9.601 15.965 0.295) 18.632 16.311 ( 8.759 1.832 0.909) 8.995 16.351 ( 4.630 2.781 3.118) 6.236 16.842 ( 6.616 14.368 -4.528) 16.454 17.311 ( -5.759 -6.642 2.723) 9.203 17.341 ( -7.571 4.217 10.421) 13.553 18.644 ( -4.326 0.048 -9.319) 10.274 19.107 ( -0.805 -3.696 -6.776) 7.760 19.468 ( 2.424 -5.539 4.683) 7.648 19.545 ( 0.768 0.125 -2.547) 2.663 19.682 ( 4.154 -6.219 -5.662) 9.380======================= Grid point 282 (53/120) =======================q-point: ( 0.45 0.09 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( -9.339 16.175 3.024) 18.921 2.572 ( -6.563 11.367 -21.109) 24.857 2.899 ( -3.445 5.968 12.268) 14.070 3.500 ( 3.956 -6.852 -0.693) 7.942 3.795 ( 3.281 -5.683 13.261) 14.796 3.984 ( 1.863 -3.227 -5.760) 6.860 5.800 ( 4.503 -7.799 -4.631) 10.126 5.876 ( 3.690 -6.392 -3.073) 7.995 6.348 ( 0.452 -0.783 -0.593) 1.081 7.063 ( 2.291 -3.968 -4.953) 6.747 7.381 ( 0.099 -0.171 -6.721) 6.724 7.878 ( -6.484 11.231 6.756) 14.623 8.166 ( -4.232 7.330 -0.297) 8.470 9.806 ( 8.306 -14.386 1.250) 16.659 10.716 ( -4.986 8.637 4.230) 10.833 14.841 ( 6.595 -11.424 -0.821) 13.216 15.509 ( -9.540 16.524 0.218) 19.082 16.379 ( 0.630 -1.092 3.632) 3.845 16.432 ( 0.502 -0.869 -0.162) 1.016 17.061 ( -5.003 8.666 -6.336) 11.844 17.139 ( 0.775 -1.342 9.700) 9.823 17.283 ( -3.154 5.464 4.467) 7.730 18.612 ( -0.318 0.551 -5.952) 5.986 19.080 ( 1.197 -2.073 -8.187) 8.530 19.460 ( 3.688 -6.388 4.992) 8.907 19.550 ( 0.418 -0.723 -3.578) 3.674 19.690 ( 3.015 -5.222 -4.649) 7.614======================= Grid point 291 (54/120) =======================q-point: ( 0.18 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 9.542 16.527 4.280) 19.558 2.417 ( 10.227 17.714 2.660) 20.627 3.006 ( -1.691 -2.929 3.786) 5.076 3.306 ( 5.485 9.500 -2.066) 11.162 3.764 ( -1.155 -2.001 -4.241) 4.830 4.177 ( -5.239 -9.074 -1.092) 10.534 4.676 ( 9.403 16.287 9.150) 20.914 5.909 ( -2.804 -4.858 -2.826) 6.280 6.309 ( 4.643 8.042 -4.877) 10.489 7.616 ( 2.135 3.698 1.914) 4.679 7.717 ( -13.666 -23.671 -3.170) 27.516 7.803 ( -6.936 -12.013 -5.904) 15.075 9.164 ( -1.780 -3.083 3.958) 5.323 9.179 ( -1.735 -3.006 -3.196) 4.718 10.561 ( 7.271 12.593 2.563) 14.765 14.830 ( -3.684 -6.380 -0.329) 7.375 15.805 ( 7.865 13.622 -1.769) 15.828 15.813 ( 3.190 5.525 1.915) 6.661 16.251 ( 1.579 2.735 5.121) 6.017 16.604 ( 7.796 13.504 -5.839) 16.650 17.388 ( 4.074 7.056 9.453) 12.479 17.474 ( -3.781 -6.548 1.347) 7.681 18.892 ( -3.623 -6.276 -14.753) 16.436 19.149 ( -2.817 -4.879 -3.273) 6.516 19.452 ( -2.490 -4.313 6.440) 8.141 19.509 ( 1.893 3.278 -0.205) 3.791 19.592 ( -2.197 -3.805 -8.477) 9.548======================= Grid point 292 (55/120) =======================q-point: ( 0.27 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 5.751 18.008 -0.772) 18.920 2.688 ( -1.291 21.515 -3.170) 21.785 3.004 ( 3.336 -0.497 5.974) 6.860 3.327 ( -2.112 -4.857 3.644) 6.428 3.822 ( 5.133 2.204 -4.764) 7.342 3.978 ( -5.653 -12.043 0.304) 13.307 5.079 ( 18.296 15.533 2.518) 24.132 5.820 ( -0.680 -6.365 -2.849) 7.006 6.442 ( 1.916 3.705 -2.520) 4.873 7.248 ( -12.551 -20.389 -5.997) 24.683 7.553 ( -6.774 -11.070 -7.517) 14.997 7.784 ( 6.184 11.614 4.859) 14.027 8.830 ( -25.724 8.041 1.245) 26.981 9.341 ( 18.036 -17.538 0.992) 25.177 10.763 ( 2.864 10.490 3.881) 11.545 14.720 ( -0.459 -8.237 -0.607) 8.272 15.830 ( -7.962 14.943 0.497) 16.940 16.134 ( 14.484 4.077 -0.777) 15.067 16.320 ( 2.704 3.199 5.875) 7.215 16.852 ( 6.321 11.060 -3.001) 13.088 17.327 ( -4.847 -7.739 2.006) 9.349 17.472 ( -0.891 5.594 9.648) 11.188 18.759 ( -7.288 -0.499 -14.563) 16.293 19.064 ( -0.211 -6.274 -5.326) 8.233 19.356 ( 0.291 -8.417 7.114) 11.025 19.547 ( -0.369 1.242 -3.156) 3.412 19.586 ( 2.817 -1.333 -5.285) 6.136======================= Grid point 293 (56/120) =======================q-point: ( 0.36 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( -4.057 17.454 -2.529) 18.096 2.822 ( -5.418 18.967 -7.669) 21.165 3.013 ( -4.124 0.205 5.823) 7.138 3.336 ( 7.989 -1.164 2.844) 8.559 3.742 ( -5.570 -10.802 7.637) 14.353 3.913 ( 3.355 -1.649 -4.369) 5.750 5.548 ( 19.286 7.144 -2.493) 20.718 5.766 ( 1.766 -6.869 -3.288) 7.817 6.341 ( -6.820 -12.485 0.212) 14.228 7.014 ( -0.561 -3.221 -8.169) 8.798 7.358 ( -3.212 -8.108 -7.307) 11.377 8.060 ( 5.968 20.304 5.204) 21.793 8.467 ( -23.023 5.150 1.831) 23.663 9.434 ( 14.198 -19.709 1.467) 24.335 10.866 ( -1.732 8.243 4.373) 9.491 14.658 ( 2.839 -8.211 -0.893) 8.733 15.836 ( -8.883 15.593 0.439) 17.951 16.348 ( 5.518 1.926 2.014) 6.182 16.389 ( 2.589 0.817 2.811) 3.908 17.029 ( 6.186 3.681 4.729) 8.613 17.169 ( -4.463 -7.219 4.066) 9.411 17.492 ( -6.072 11.316 -1.960) 12.991 18.659 ( -4.260 1.586 -7.507) 8.776 19.021 ( 1.968 -5.520 -9.125) 10.845 19.305 ( 3.562 -8.677 6.292) 11.294 19.546 ( -0.283 0.195 -3.550) 3.567 19.616 ( 2.069 -1.841 -3.594) 4.537======================= Grid point 299 (57/120) =======================q-point: (-0.09 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( -8.911 15.434 11.984) 21.476 1.489 ( -2.587 4.481 23.861) 24.416 2.674 ( -23.508 40.716 11.399) 48.377 3.520 ( 0.966 -1.674 -12.195) 12.347 3.532 ( 4.315 -7.473 -0.134) 8.631 4.497 ( -1.632 2.827 0.515) 3.305 4.616 ( 9.558 -16.555 14.746) 24.142 5.953 ( -1.370 2.373 -7.414) 7.904 6.016 ( -0.354 0.614 -5.167) 5.216 7.695 ( 2.525 -4.374 0.948) 5.138 8.263 ( 4.600 -7.968 -7.380) 11.795 8.642 ( 6.731 -11.658 1.678) 13.566 9.110 ( 1.604 -2.777 0.960) 3.348 9.159 ( 0.246 -0.426 -4.383) 4.411 9.937 ( -12.724 22.038 -3.633) 25.705 14.912 ( 1.613 -2.795 -1.236) 3.455 15.276 ( -6.188 10.718 -1.243) 12.438 15.711 ( -2.593 4.492 5.126) 7.292 16.074 ( -6.056 10.489 -3.794) 12.692 16.177 ( 1.718 -2.976 0.952) 3.566 16.755 ( -11.479 19.882 -7.367) 24.111 17.664 ( 1.105 -1.913 1.603) 2.730 19.079 ( 7.222 -12.509 -2.182) 14.608 19.322 ( -0.475 0.823 -2.271) 2.462 19.384 ( -0.272 0.471 -0.557) 0.778 19.409 ( -1.519 2.631 -1.748) 3.505 20.134 ( 1.258 -2.178 -2.613) 3.627======================= Grid point 303 (58/120) =======================q-point: ( 0.27 0.27 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.681 ( 8.000 13.856 -8.123) 17.943 2.944 ( 1.857 3.216 2.792) 4.646 3.112 ( 6.302 10.916 -0.020) 12.604 3.233 ( -1.737 -3.009 9.113) 9.753 3.743 ( -6.533 -11.316 1.674) 13.173 3.865 ( 0.973 1.686 -3.737) 4.213 5.398 ( 10.026 17.365 -1.088) 20.081 5.711 ( -2.377 -4.117 -3.400) 5.845 6.336 ( -9.273 -16.062 0.312) 18.549 7.005 ( -0.814 -1.411 -9.226) 9.369 7.345 ( -5.634 -9.759 -7.472) 13.521 8.104 ( 11.267 19.514 4.781) 23.035 8.956 ( -4.749 -8.226 4.823) 10.653 8.959 ( -4.680 -8.107 -1.078) 9.422 10.923 ( 3.189 5.524 4.452) 7.779 14.591 ( -2.623 -4.544 -0.922) 5.327 16.044 ( 3.303 5.721 1.089) 6.695 16.252 ( 4.559 7.897 -0.845) 9.157 16.379 ( 1.352 2.342 5.653) 6.266 16.991 ( 1.977 3.424 5.864) 7.073 17.168 ( -4.444 -7.698 3.519) 9.560 17.609 ( 4.359 7.551 -2.875) 9.181 18.744 ( -0.782 -1.354 -12.218) 12.318 18.934 ( -3.336 -5.778 -4.174) 7.870 19.228 ( -2.337 -4.048 5.106) 6.923 19.558 ( -0.015 -0.026 -4.784) 4.784 19.580 ( 0.144 0.250 -1.546) 1.573======================= Grid point 304 (59/120) =======================q-point: ( 0.36 0.27 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.827 ( -5.737 9.938 -10.764) 15.734 2.978 ( 1.626 -2.816 -0.741) 3.334 3.150 ( -6.850 11.865 7.753) 15.741 3.308 ( 1.895 -3.282 5.409) 6.604 3.588 ( 2.187 -3.788 3.777) 5.779 3.882 ( 0.685 -1.187 -3.248) 3.526 5.663 ( 1.537 -2.662 -4.116) 5.137 5.687 ( -4.062 7.036 -1.915) 8.347 6.036 ( 8.097 -14.024 -0.307) 16.196 7.052 ( -2.584 4.476 -8.519) 9.964 7.212 ( 3.590 -6.218 -7.781) 10.587 8.487 ( -8.752 15.159 5.665) 18.398 8.564 ( -6.342 10.985 1.272) 12.748 9.003 ( 13.507 -23.394 2.076) 27.093 10.978 ( -1.686 2.919 4.620) 5.720 14.546 ( 1.686 -2.920 -1.069) 3.537 16.091 ( -5.002 8.664 0.933) 10.047 16.370 ( 0.505 -0.875 0.941) 1.380 16.387 ( -0.119 0.206 3.839) 3.846 17.038 ( 1.013 -1.755 9.103) 9.326 17.060 ( 1.346 -2.332 5.281) 5.928 17.701 ( -4.014 6.953 -10.565) 13.269 18.718 ( -2.648 4.586 -5.627) 7.727 18.877 ( 4.687 -8.119 -6.504) 11.410 19.190 ( 1.508 -2.613 3.563) 4.669 19.556 ( -0.497 0.862 -3.054) 3.212 19.584 ( 0.829 -1.436 -2.518) 3.015======================= Grid point 310 (60/120) =======================q-point: (-0.18 0.27 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( -16.231 16.915 4.942) 23.958 1.621 ( -7.618 6.233 12.594) 15.984 3.274 ( 10.717 0.181 -1.151) 10.780 3.464 ( -9.092 16.772 3.264) 19.355 3.527 ( -14.649 1.828 -7.687) 16.644 4.424 ( 0.356 -0.527 15.099) 15.112 4.519 ( 1.904 1.346 0.854) 2.483 6.011 ( -0.437 2.137 -4.478) 4.981 6.055 ( -5.378 1.123 -5.717) 7.929 7.585 ( 4.994 -5.086 0.106) 7.129 8.085 ( 7.521 -5.845 -6.000) 11.257 8.341 ( 8.586 -21.791 -1.264) 23.456 8.828 ( 24.910 10.631 -0.482) 27.088 9.351 ( -20.051 -13.858 -0.528) 24.380 10.295 ( -7.562 15.574 0.127) 17.314 14.879 ( -2.517 -6.112 -0.806) 6.659 15.475 ( 0.581 15.903 -0.076) 15.914 15.842 ( -9.719 3.017 2.931) 10.590 16.137 ( -1.003 -2.029 2.560) 3.417 16.262 ( -5.959 7.037 -5.785) 10.886 17.080 ( -8.936 7.177 0.924) 11.498 17.604 ( 3.134 -3.146 1.380) 4.650 18.831 ( 6.954 -10.602 -5.915) 13.991 19.294 ( 2.452 -1.831 -2.854) 4.184 19.429 ( -2.457 2.827 0.073) 3.746 19.469 ( -2.202 2.273 -2.048) 3.770 20.084 ( 4.365 1.860 -4.062) 6.247======================= Grid point 322 (61/120) =======================q-point: (-0.27 0.36 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( -9.990 7.567 5.723) 13.777 2.021 ( -8.854 17.555 -4.697) 20.214 3.058 ( 8.460 -7.469 4.335) 12.089 3.413 ( -0.826 -4.451 -1.036) 4.644 3.954 ( -5.298 10.140 -5.310) 12.613 4.423 ( 8.230 -0.679 1.360) 8.369 4.754 ( -25.460 19.653 11.310) 34.094 6.030 ( -0.317 1.280 -2.224) 2.586 6.195 ( -7.854 2.285 -5.475) 9.843 7.413 ( 7.606 -8.195 -2.725) 11.509 7.871 ( 12.754 -15.920 -2.696) 20.576 7.973 ( 7.226 -8.881 -2.744) 11.773 8.516 ( 21.645 7.963 -0.017) 23.064 9.538 ( -17.816 -14.483 0.395) 22.963 10.520 ( -3.280 11.674 2.781) 12.441 14.866 ( -4.464 -8.904 -0.690) 9.984 15.540 ( 8.953 15.552 0.611) 17.955 16.103 ( -14.612 4.337 0.008) 15.242 16.192 ( -6.671 0.375 5.845) 8.878 16.420 ( -5.172 5.326 -9.222) 11.839 17.186 ( -2.029 -4.007 10.051) 11.009 17.492 ( 5.388 -4.778 1.527) 7.361 18.670 ( 3.004 -3.629 -9.063) 10.215 19.220 ( 3.336 -2.686 -3.201) 5.347 19.500 ( -2.413 2.258 -0.206) 3.311 19.524 ( -1.608 2.430 -1.991) 3.529 20.023 ( 5.555 3.193 -3.581) 7.340======================= Grid point 323 (62/120) =======================q-point: (-0.18 0.36 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( -5.910 10.237 3.651) 12.371 2.052 ( -14.190 24.577 0.960) 28.396 3.123 ( 6.699 -11.602 4.299) 14.070 3.351 ( 2.413 -4.180 -4.771) 6.787 3.958 ( -7.080 12.263 -5.431) 15.166 4.496 ( 2.301 -3.986 0.922) 4.694 4.626 ( -13.614 23.580 14.617) 30.903 6.034 ( -0.115 0.200 -2.508) 2.519 6.131 ( -3.495 6.054 -5.578) 8.943 7.442 ( 5.436 -9.416 -2.176) 11.088 7.889 ( 13.557 -23.481 -3.236) 27.306 7.994 ( 1.683 -2.915 -2.933) 4.465 9.003 ( 3.775 -6.538 -4.020) 8.553 9.056 ( 1.169 -2.024 3.877) 4.528 10.556 ( -6.161 10.672 2.582) 12.590 14.778 ( 2.447 -4.238 -0.385) 4.909 15.817 ( -8.736 15.131 -0.885) 17.494 15.879 ( -2.047 3.545 1.624) 4.404 16.133 ( -1.246 2.157 4.789) 5.398 16.409 ( -4.290 7.430 -8.297) 11.935 17.144 ( 0.564 -0.976 8.795) 8.867 17.514 ( 3.469 -6.008 1.420) 7.082 18.679 ( 2.431 -4.211 -8.756) 10.016 19.235 ( 2.306 -3.994 -2.801) 5.396 19.491 ( -1.857 3.217 -0.022) 3.714 19.522 ( -1.608 2.784 -2.242) 3.920 20.090 ( 0.671 -1.163 -3.541) 3.787======================= Grid point 334 (63/120) =======================q-point: (-0.36 0.45 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( -8.735 9.441 2.013) 13.019 2.220 ( 2.168 12.710 -12.584) 18.017 2.827 ( 7.594 -10.630 6.107) 14.421 3.513 ( -9.594 6.112 4.497) 12.232 4.044 ( 0.567 3.403 -2.053) 4.015 4.216 ( 12.121 -3.210 2.174) 12.726 5.470 ( -29.883 20.606 1.603) 36.334 6.048 ( -0.383 0.886 -1.258) 1.585 6.330 ( -4.482 -0.412 -4.307) 6.230 7.179 ( 8.004 -9.360 -6.288) 13.828 7.402 ( 14.629 -20.701 -2.029) 25.429 7.910 ( 2.883 6.781 1.181) 7.463 8.255 ( 14.984 3.556 -0.243) 15.402 9.665 ( -14.501 -16.053 0.825) 21.649 10.646 ( 0.302 8.916 3.926) 9.747 14.854 ( -5.606 -10.832 -0.726) 12.219 15.520 ( 10.511 15.719 0.376) 18.913 16.321 ( -8.175 2.280 3.022) 9.009 16.390 ( -9.659 3.252 4.781) 11.258 16.541 ( -5.062 1.733 -12.572) 13.663 17.120 ( 0.593 -7.846 11.578) 13.999 17.332 ( 6.463 -5.982 2.451) 9.142 18.644 ( 0.157 2.034 -7.303) 7.582 19.137 ( 2.538 -3.023 -4.255) 5.804 19.545 ( -0.641 1.595 -0.343) 1.753 19.575 ( -1.230 2.386 -2.606) 3.742 19.964 ( 4.929 3.548 -1.935) 6.374======================= Grid point 335 (64/120) =======================q-point: (-0.27 0.45 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( -8.083 8.542 -3.702) 12.329 2.467 ( -3.070 23.627 -1.370) 23.865 2.889 ( 9.303 -6.546 4.195) 12.124 3.363 ( -8.900 -0.685 1.850) 9.116 4.072 ( -1.067 3.261 -3.030) 4.578 4.350 ( 8.419 -6.928 2.205) 11.124 5.225 ( -23.082 25.452 5.247) 34.758 6.037 ( -0.491 -0.476 -1.679) 1.813 6.257 ( -4.616 3.361 -3.818) 6.869 7.226 ( 7.797 -10.180 -5.244) 13.854 7.422 ( 13.247 -22.641 -4.881) 26.682 7.989 ( -0.271 4.487 0.229) 4.501 8.660 ( 24.292 6.063 -0.346) 25.040 9.194 ( -18.340 -19.088 1.297) 26.503 10.721 ( -2.294 8.296 3.814) 9.415 14.707 ( -0.635 -6.863 -0.584) 6.917 15.852 ( 9.160 14.238 0.435) 16.936 16.183 ( -14.741 4.964 -0.797) 15.574 16.224 ( -6.700 2.886 6.277) 9.624 16.541 ( -2.744 6.210 -10.675) 12.651 17.063 ( 2.413 -7.662 11.541) 14.062 17.367 ( 5.564 -7.851 1.925) 9.813 18.661 ( -0.794 2.309 -8.040) 8.402 19.144 ( 2.899 -4.870 -3.216) 6.516 19.548 ( -1.288 2.512 -0.538) 2.873 19.575 ( -1.524 2.440 -2.378) 3.732 20.049 ( 2.800 -0.276 -1.646) 3.260======================= Grid point 344 (65/120) =======================q-point: (-0.45 0.55 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.224 ( 10.220 17.702 1.656) 20.507 2.280 ( -1.834 -3.177 -17.695) 18.071 2.668 ( -2.992 -5.182 8.763) 10.611 3.725 ( 2.209 3.827 3.296) 5.513 3.957 ( 0.781 1.354 9.603) 9.729 4.106 ( 1.257 2.178 -5.513) 6.060 5.996 ( 0.266 0.460 -3.959) 3.994 6.046 ( 0.725 1.256 -0.967) 1.744 6.266 ( -1.570 -2.719 -2.667) 4.119 7.079 ( -2.166 -3.751 -3.250) 5.416 7.101 ( -4.353 -7.540 -4.698) 9.893 7.946 ( 5.785 10.021 4.069) 12.265 8.118 ( 2.492 4.317 -1.826) 5.308 9.711 ( -10.540 -18.256 0.961) 21.103 10.688 ( 3.840 6.651 4.216) 8.761 14.848 ( -6.495 -11.250 -0.772) 13.013 15.507 ( 9.652 16.717 0.304) 19.306 16.434 ( -0.350 -0.607 -0.002) 0.700 16.468 ( 0.065 0.113 8.022) 8.023 16.609 ( -3.083 -5.341 -12.438) 13.883 17.079 ( -2.389 -4.138 8.792) 10.006 17.215 ( -1.412 -2.446 4.129) 5.002 18.662 ( 1.589 2.752 -5.177) 6.074 19.095 ( -0.946 -1.639 -5.184) 5.519 19.558 ( 0.623 1.080 -0.187) 1.261 19.600 ( 0.801 1.387 -3.420) 3.777 19.937 ( 2.631 4.557 -0.857) 5.332======================= Grid point 346 (66/120) =======================q-point: (-0.36 0.55 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.201 ( -6.126 4.093 -8.642) 11.357 2.580 ( 2.067 0.596 2.375) 3.205 2.720 ( 15.283 18.744 1.157) 24.212 3.643 ( -16.783 6.560 4.508) 18.575 4.044 ( 10.416 -6.743 4.184) 13.094 4.137 ( 2.034 -1.882 -2.602) 3.802 5.825 ( -20.854 14.240 0.112) 25.253 6.041 ( -0.894 -1.269 -1.246) 1.990 6.281 ( 3.757 -4.936 -1.289) 6.336 7.015 ( 4.045 -6.708 -8.515) 11.570 7.063 ( 5.991 -11.928 -5.663) 14.500 8.096 ( -2.628 12.213 2.160) 12.678 8.334 ( 18.645 3.759 0.529) 19.028 9.281 ( -15.177 -21.778 1.300) 26.577 10.801 ( 1.279 6.248 4.255) 7.667 14.667 ( -3.135 -7.623 -0.828) 8.284 15.839 ( 9.267 15.380 0.562) 17.965 16.358 ( -6.846 1.387 5.553) 8.924 16.409 ( -4.919 -0.167 1.214) 5.070 16.615 ( 0.330 4.428 -12.326) 13.101 16.983 ( -2.496 -5.410 9.447) 11.169 17.189 ( 4.199 -8.143 3.234) 9.716 18.715 ( -0.045 4.678 -5.436) 7.172 19.057 ( 0.637 -4.897 -4.218) 6.494 19.579 ( 0.170 1.836 -0.935) 2.067 19.616 ( -0.618 1.525 -2.947) 3.375 20.005 ( 2.170 0.890 0.249) 2.359======================= Grid point 347 (67/120) =======================q-point: (-0.27 0.55 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.167 ( -4.645 8.046 -6.015) 11.068 2.579 ( 4.671 -8.090 1.858) 9.524 3.103 ( -11.607 20.104 0.133) 23.215 3.405 ( -4.298 7.444 4.391) 9.653 4.117 ( -0.862 1.493 -2.074) 2.697 4.136 ( 8.606 -14.906 2.989) 17.470 5.702 ( -12.602 21.827 1.846) 25.271 6.023 ( 0.397 -0.687 -1.583) 1.771 6.283 ( 1.292 -2.238 -0.246) 2.596 7.036 ( 4.848 -8.397 -7.717) 12.392 7.046 ( 7.823 -13.550 -8.908) 18.005 8.131 ( -5.800 10.046 1.551) 11.703 8.696 ( 4.672 -8.092 -1.853) 9.526 8.863 ( 4.690 -8.123 4.413) 10.366 10.844 ( -2.394 4.147 4.276) 6.420 14.601 ( 2.171 -3.760 -0.855) 4.425 16.040 ( -2.703 4.681 0.830) 5.469 16.302 ( -2.814 4.873 5.955) 8.193 16.329 ( -4.671 8.090 -0.604) 9.361 16.644 ( -2.210 3.828 -11.897) 12.692 16.928 ( 2.538 -4.396 10.183) 11.378 17.186 ( 5.762 -9.980 2.842) 11.869 18.740 ( -2.909 5.039 -5.941) 8.316 19.035 ( 3.323 -5.755 -3.573) 7.545 19.593 ( -1.055 1.827 -1.184) 2.420 19.615 ( -0.874 1.513 -2.587) 3.122 20.028 ( 0.797 -1.380 0.553) 1.686======================= Grid point 358 (68/120) =======================q-point: (-0.36 0.64 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.286 ( 2.522 4.368 -5.321) 7.332 2.448 ( -3.687 -6.385 0.645) 7.401 3.269 ( 16.035 27.773 1.289) 32.096 3.730 ( -2.988 -5.175 3.753) 7.057 3.787 ( -6.441 -11.157 3.440) 13.334 4.134 ( 0.072 0.125 -1.837) 1.843 6.010 ( 2.540 4.399 1.466) 5.286 6.015 ( -0.518 -0.897 -1.678) 1.971 6.173 ( -2.255 -3.906 1.836) 4.870 6.924 ( -1.317 -2.282 -10.412) 10.740 6.934 ( -1.333 -2.309 -10.193) 10.536 8.356 ( 3.727 6.455 -2.139) 7.754 8.430 ( 7.436 12.880 4.729) 15.606 8.839 ( -12.554 -21.745 2.752) 25.259 10.885 ( 1.243 2.153 4.394) 5.048 14.563 ( -1.564 -2.708 -0.991) 3.280 16.079 ( 4.226 7.319 0.926) 8.502 16.377 ( 0.383 0.663 4.988) 5.046 16.403 ( -0.217 -0.376 1.888) 1.937 16.683 ( 1.120 1.940 -12.716) 12.912 16.923 ( -0.261 -0.453 7.229) 7.248 17.035 ( -3.558 -6.162 4.307) 8.318 18.815 ( 2.851 4.938 -4.576) 7.311 18.954 ( -2.897 -5.018 -4.183) 7.146 19.613 ( 0.772 1.337 -1.675) 2.277 19.631 ( -0.016 -0.028 -2.618) 2.618 20.012 ( 0.019 0.033 1.619) 1.619======================= Grid point 399 (69/120) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( -0.000 0.000 19.020) 19.020 1.554 ( -0.000 -0.000 19.020) 19.020 2.351 ( 0.000 -0.000 25.804) 25.804 3.410 ( 0.000 0.000 -8.672) 8.672 3.410 ( -0.000 -0.000 -8.672) 8.672 4.480 ( 0.000 -0.000 2.583) 2.583 5.412 ( 0.000 0.000 -1.594) 1.594 5.776 ( 0.000 -0.000 -6.736) 6.736 5.776 ( -0.000 -0.000 -6.736) 6.736 7.839 ( 0.000 -0.000 2.910) 2.910 8.403 ( 0.000 -0.000 -7.667) 7.667 8.841 ( 0.000 0.000 3.826) 3.826 8.841 ( 0.000 -0.000 3.826) 3.826 9.269 ( 0.000 -0.000 -1.043) 1.043 9.269 ( 0.000 -0.000 -1.043) 1.043 14.965 ( 0.000 -0.000 -1.857) 1.857 14.965 ( -0.000 -0.000 -1.857) 1.857 15.707 ( 0.000 -0.000 5.279) 5.279 15.707 ( -0.000 -0.000 5.279) 5.279 16.256 ( 0.000 -0.000 0.384) 0.384 16.256 ( -0.000 -0.000 0.384) 0.384 17.738 ( 0.000 0.000 1.813) 1.813 19.246 ( 0.000 -0.000 -1.198) 1.198 19.317 ( 0.000 0.000 0.037) 0.037 19.347 ( 0.000 0.000 -1.938) 1.938 19.347 ( 0.000 0.000 -1.938) 1.938 20.257 ( 0.000 0.000 -0.113) 0.113======================= Grid point 400 (70/120) =======================q-point: ( 0.09 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( -3.713 13.037 18.140) 22.645 1.867 ( 18.292 0.917 18.194) 25.816 2.409 ( 9.511 2.983 16.148) 18.976 3.296 ( -1.079 -6.452 -5.782) 8.731 3.548 ( 2.537 7.980 -8.431) 11.883 4.476 ( 0.184 -1.245 1.768) 2.170 5.121 ( -17.330 -12.899 5.179) 22.216 5.800 ( 0.865 4.057 -6.520) 7.728 5.847 ( 3.218 2.108 -7.540) 8.465 7.798 ( -3.276 -2.136 3.100) 4.991 8.251 ( -8.673 -4.733 -6.693) 11.934 8.769 ( -0.301 -11.345 2.974) 11.732 9.035 ( -8.024 4.736 -2.179) 9.569 9.308 ( 4.560 17.703 0.484) 18.287 9.425 ( 22.184 -1.212 -1.514) 22.268 14.956 ( -2.119 3.764 -1.478) 4.565 15.062 ( 8.423 1.550 -2.096) 8.817 15.730 ( 3.897 -1.561 4.884) 6.440 15.876 ( 10.355 8.254 2.169) 13.418 16.243 ( -1.464 0.395 0.794) 1.712 16.377 ( 11.777 7.002 -1.395) 13.772 17.724 ( -1.216 -0.863 1.715) 2.273 19.242 ( -7.225 -2.763 -0.943) 7.793 19.261 ( 0.473 0.029 -1.677) 1.743 19.338 ( 0.380 -0.393 -1.222) 1.339 19.361 ( 0.849 1.009 -1.738) 2.182 20.173 ( -5.651 -5.304 0.417) 7.761======================= Grid point 401 (71/120) =======================q-point: ( 0.18 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 0.932 12.645 9.200) 15.666 2.012 ( -0.440 3.449 19.049) 19.364 2.824 ( 26.583 5.393 -3.100) 27.301 3.274 ( 7.265 -5.045 2.757) 9.265 3.616 ( -4.434 7.581 -6.224) 10.764 4.455 ( 0.137 -4.154 0.032) 4.156 4.774 ( -8.223 -6.792 10.490) 14.960 5.877 ( 2.295 4.533 -5.506) 7.492 5.914 ( 2.986 2.603 -6.332) 7.470 7.698 ( -5.257 -2.850 3.077) 6.725 8.047 ( -8.761 -6.314 -6.999) 12.869 8.611 ( -1.425 -19.107 1.752) 19.240 8.760 ( -22.939 3.639 -2.675) 23.380 9.515 ( 6.276 8.750 0.300) 10.772 9.932 ( 22.785 9.898 -1.481) 24.886 14.963 ( -1.353 3.687 -1.481) 4.197 15.243 ( 8.440 2.727 -0.551) 8.887 15.813 ( 6.733 0.662 2.876) 7.351 16.089 ( 6.050 5.659 -1.373) 8.397 16.234 ( -0.205 2.097 2.301) 3.120 16.807 ( 22.415 14.705 -3.133) 26.991 17.677 ( -2.704 -2.057 1.535) 3.728 19.001 ( -15.403 -5.032 -1.882) 16.313 19.243 ( -1.486 -2.520 -2.916) 4.131 19.374 ( 2.587 1.808 -1.199) 3.376 19.397 ( 2.044 1.269 -1.475) 2.822 20.010 ( -4.089 -8.510 0.570) 9.459======================= Grid point 402 (72/120) =======================q-point: ( 0.27 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( 1.850 7.229 -3.077) 8.071 2.046 ( -0.726 7.044 12.138) 14.052 3.124 ( 6.368 0.389 -0.695) 6.418 3.499 ( 6.343 -1.677 2.734) 7.108 3.594 ( 6.710 5.598 -5.078) 10.106 4.392 ( -0.958 -6.886 -0.374) 6.963 4.771 ( 9.391 5.088 10.560) 15.020 5.931 ( 2.161 0.007 -3.249) 3.902 6.043 ( 5.702 6.817 -5.748) 10.585 7.549 ( -9.940 -2.690 0.999) 10.346 7.852 ( -4.768 -6.835 -4.682) 9.559 8.247 ( -16.324 -20.781 -1.755) 26.484 8.477 ( -14.500 3.132 -0.449) 14.841 9.705 ( 6.351 7.082 0.479) 9.525 10.330 ( 14.036 7.010 0.957) 15.718 14.980 ( -0.437 2.667 -1.291) 2.995 15.349 ( 2.211 -0.788 0.941) 2.528 15.989 ( 10.817 4.188 0.058) 11.599 16.223 ( 3.163 5.518 -4.897) 8.027 16.303 ( 4.496 5.869 4.813) 8.822 17.304 ( 16.417 13.336 3.424) 21.426 17.590 ( -4.341 -3.243 1.560) 5.639 18.660 ( -16.059 -5.984 -5.648) 18.045 19.174 ( -2.826 -3.687 -3.555) 5.849 19.428 ( 1.983 1.014 -3.257) 3.946 19.461 ( 3.090 2.027 0.043) 3.695 19.883 ( -0.515 -9.089 -0.102) 9.104======================= Grid point 403 (73/120) =======================q-point: ( 0.36 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( 0.342 6.581 -12.719) 14.325 2.112 ( 1.157 4.827 6.632) 8.284 3.150 ( -4.914 1.149 6.501) 8.231 3.482 ( 3.480 0.444 2.844) 4.516 3.826 ( 9.002 -0.227 -5.864) 10.746 4.281 ( -3.346 -8.331 1.461) 9.096 5.166 ( 24.133 11.409 4.737) 27.111 5.964 ( 2.923 -2.160 -1.692) 4.010 6.214 ( 5.195 6.931 -5.263) 10.135 7.292 ( -14.362 -4.501 -2.761) 15.302 7.725 ( -17.739 -10.449 -1.052) 20.615 7.805 ( -0.382 -6.878 -1.143) 6.983 8.267 ( -11.131 -1.285 -0.367) 11.211 9.861 ( 4.225 5.543 0.612) 6.996 10.566 ( 7.365 4.158 2.698) 8.877 14.998 ( 0.194 1.261 -0.991) 1.615 15.329 ( -1.709 -2.051 0.808) 2.790 16.224 ( 10.192 4.038 -1.380) 11.049 16.308 ( 1.736 4.146 -5.635) 7.208 16.505 ( 8.280 10.982 4.419) 14.446 17.467 ( -5.093 -3.548 2.656) 6.752 17.545 ( -1.888 5.672 13.787) 15.027 18.430 ( -3.155 -2.358 -11.724) 12.368 19.078 ( -3.638 -4.146 -4.612) 7.190 19.469 ( 1.970 0.345 -3.061) 3.656 19.522 ( 1.654 1.352 -0.286) 2.155 19.810 ( 1.970 -8.460 -0.807) 8.724======================= Grid point 404 (74/120) =======================q-point: ( 0.45 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( -2.497 5.794 -15.638) 16.863 2.176 ( 1.373 2.395 1.075) 2.962 3.047 ( -7.444 4.767 11.235) 14.296 3.607 ( 9.119 -3.784 -0.217) 9.876 3.914 ( 3.124 -1.407 -5.050) 6.103 4.137 ( -3.290 -5.956 6.413) 9.350 5.693 ( 21.722 7.412 -2.440) 23.081 5.977 ( 1.711 -4.860 -0.948) 5.239 6.279 ( -4.402 1.475 -5.017) 6.836 7.082 ( -3.058 -0.655 -2.044) 3.736 7.311 ( -15.883 -4.359 -1.617) 16.549 7.851 ( 4.585 -0.017 1.809) 4.929 8.086 ( -7.225 -1.580 -0.958) 7.458 9.949 ( 0.701 3.458 0.692) 3.596 10.674 ( 2.145 1.646 3.399) 4.343 15.009 ( 0.364 -0.020 -0.772) 0.854 15.284 ( -1.253 -0.617 0.445) 1.466 16.340 ( 0.743 1.663 -7.321) 7.544 16.405 ( 3.973 2.481 -0.770) 4.746 16.746 ( 4.424 10.824 3.303) 12.151 17.363 ( -3.127 -1.119 6.241) 7.070 17.430 ( -8.830 -0.167 12.201) 15.062 18.464 ( 3.903 0.230 -8.454) 9.314 18.984 ( -2.041 -3.090 -6.411) 7.404 19.500 ( 1.528 -0.462 -2.615) 3.064 19.542 ( 0.011 0.355 -0.491) 0.606 19.780 ( 3.505 -7.396 -1.303) 8.288======================= Grid point 411 (75/120) =======================q-point: ( 0.09 0.09 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 4.908 8.501 17.151) 19.761 1.950 ( 5.901 10.222 6.921) 13.682 2.584 ( 9.678 16.763 9.900) 21.742 3.183 ( -2.205 -3.819 -0.795) 4.481 3.698 ( 2.945 5.100 -8.965) 10.726 4.429 ( -1.980 -3.429 1.477) 4.226 4.818 ( -7.530 -13.042 9.634) 17.878 5.888 ( 2.999 5.194 -7.012) 9.227 5.902 ( 1.136 1.968 -6.165) 6.571 7.728 ( -2.450 -4.244 3.617) 6.091 8.101 ( -5.593 -9.688 -7.209) 13.308 8.505 ( -8.616 -14.924 2.223) 17.376 9.154 ( -0.249 -0.432 -3.257) 3.295 9.284 ( -0.542 -0.939 0.125) 1.091 9.828 ( 14.828 25.683 -1.052) 29.674 14.977 ( -0.862 -1.493 -2.137) 2.746 15.216 ( 7.168 12.416 -1.930) 14.466 15.732 ( 1.104 1.913 4.741) 5.231 16.068 ( 5.524 9.567 -0.644) 11.066 16.249 ( 0.316 0.548 1.471) 1.602 16.681 ( 13.108 22.704 -3.707) 26.477 17.689 ( -1.576 -2.729 1.677) 3.570 19.118 ( -5.843 -10.121 -2.689) 11.992 19.240 ( -1.315 -2.278 -2.445) 3.592 19.365 ( 1.702 2.948 -0.169) 3.409 19.381 ( 0.706 1.223 -2.619) 2.975 20.001 ( -6.075 -10.523 2.547) 12.415======================= Grid point 412 (76/120) =======================q-point: ( 0.18 0.09 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -2.548 12.024 5.025) 13.278 2.141 ( 2.027 10.648 5.384) 12.103 3.002 ( 12.978 11.627 -0.604) 17.435 3.193 ( 11.984 -2.619 5.309) 13.366 3.709 ( -4.688 1.114 -5.563) 7.359 4.343 ( -2.009 -6.922 1.070) 7.286 4.712 ( 2.520 2.043 10.471) 10.962 5.911 ( -0.199 -0.917 -3.827) 3.940 6.020 ( 5.062 7.455 -6.594) 11.167 7.647 ( -3.812 -1.571 3.270) 5.262 7.885 ( -7.653 -9.498 -6.508) 13.825 8.166 ( -8.697 -23.672 0.296) 25.221 8.937 ( -22.976 10.587 -2.204) 25.394 9.443 ( 18.208 -10.760 -0.334) 21.152 10.274 ( 10.600 19.326 0.525) 22.048 14.936 ( 0.234 -5.161 -1.487) 5.376 15.444 ( 0.613 15.642 -0.646) 15.667 15.824 ( 9.248 0.692 2.149) 9.519 16.245 ( 3.353 8.949 -3.482) 10.172 16.286 ( 3.322 3.858 2.548) 5.693 17.176 ( 16.558 20.657 -1.017) 26.493 17.615 ( -3.067 -4.206 1.712) 5.480 18.843 ( -13.134 -10.992 -6.134) 18.192 19.177 ( -2.289 -4.020 -2.664) 5.339 19.409 ( 1.347 0.940 -3.483) 3.851 19.439 ( 2.634 3.358 -0.007) 4.268 19.811 ( -3.179 -10.418 4.070) 11.628======================= Grid point 413 (77/120) =======================q-point: ( 0.27 0.09 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( -1.664 14.732 -6.986) 16.389 2.242 ( -4.456 14.448 3.880) 15.609 3.137 ( 3.994 -0.073 4.145) 5.757 3.456 ( 5.807 -2.212 2.673) 6.764 3.675 ( 5.151 3.060 -4.240) 7.340 4.229 ( -1.735 -9.343 1.848) 9.680 4.932 ( 15.049 10.353 7.423) 19.717 5.892 ( 1.178 -4.036 -1.727) 4.545 6.198 ( 5.751 8.618 -5.869) 11.908 7.478 ( -13.771 -7.048 -3.009) 15.760 7.751 ( 0.540 -0.802 0.512) 1.094 7.762 ( -9.008 -24.312 -1.855) 25.994 8.640 ( -22.971 9.759 -1.541) 25.006 9.635 ( 16.260 -11.016 -0.233) 19.642 10.574 ( 4.985 14.583 2.230) 15.572 14.887 ( 2.364 -9.060 -0.929) 9.409 15.524 ( -7.647 15.030 0.542) 16.872 16.055 ( 13.614 3.047 -0.443) 13.958 16.331 ( 1.266 4.930 -0.159) 5.092 16.480 ( 7.643 11.527 -2.373) 14.033 17.502 ( -4.006 -4.928 2.384) 6.783 17.571 ( 7.648 11.355 8.648) 16.193 18.517 ( -11.112 -7.639 -12.222) 18.200 19.086 ( -2.941 -5.023 -3.413) 6.747 19.443 ( 1.667 0.588 -3.491) 3.913 19.510 ( 1.958 2.461 -0.255) 3.155 19.690 ( 0.594 -9.699 4.038) 10.523======================= Grid point 414 (78/120) =======================q-point: ( 0.36 0.09 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.100 ( -4.414 16.919 -15.672) 23.481 2.284 ( -6.927 14.596 3.141) 16.459 3.168 ( -0.949 -0.200 6.960) 7.027 3.446 ( 2.718 -2.867 2.981) 4.949 3.834 ( 6.250 0.881 -3.860) 7.399 4.103 ( -1.692 -9.290 5.510) 10.933 5.376 ( 22.880 9.097 1.580) 24.673 5.875 ( 2.725 -6.568 -0.564) 7.133 6.343 ( 0.751 5.295 -4.798) 7.185 7.123 ( -10.393 -14.263 -3.459) 17.984 7.417 ( -8.309 -13.982 -4.607) 16.904 7.843 ( 3.503 9.507 2.822) 10.518 8.352 ( -19.905 6.796 -0.760) 21.047 9.770 ( 12.665 -12.338 -0.102) 17.682 10.742 ( -0.145 11.319 3.034) 11.720 14.844 ( 4.597 -11.399 -0.641) 12.307 15.521 ( -9.724 15.788 0.386) 18.546 16.291 ( 8.922 3.302 -1.667) 9.659 16.392 ( 0.625 3.870 -1.124) 4.078 16.749 ( 8.531 12.949 -2.937) 15.782 17.382 ( -3.024 -4.781 3.896) 6.868 17.593 ( -9.666 -1.447 13.178) 16.407 18.416 ( 2.201 1.460 -12.348) 12.627 18.983 ( -2.731 -5.323 -5.132) 7.882 19.475 ( 1.364 0.359 -2.547) 2.912 19.545 ( 0.331 0.570 0.380) 0.761 19.636 ( 3.474 -8.550 2.193) 9.486======================= Grid point 415 (79/120) =======================q-point: ( 0.45 0.09 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( -9.898 17.144 -18.252) 26.926 2.299 ( -7.193 12.459 1.934) 14.516 3.144 ( -2.023 3.504 10.396) 11.156 3.477 ( 4.121 -7.137 -1.300) 8.343 3.890 ( 0.807 -1.398 -2.902) 3.320 4.029 ( 3.001 -5.197 9.195) 10.980 5.723 ( 3.365 -5.829 -2.464) 7.167 5.839 ( 3.932 -6.810 -0.300) 7.869 6.314 ( -1.137 1.969 -2.763) 3.578 6.975 ( 4.618 -7.999 -2.989) 9.708 7.252 ( 1.411 -2.443 -5.707) 6.366 7.986 ( -6.772 11.729 3.728) 14.047 8.151 ( -4.819 8.346 -1.184) 9.710 9.818 ( 8.403 -14.555 -0.045) 16.807 10.796 ( -4.935 8.547 3.231) 10.385 14.826 ( 6.623 -11.471 -0.571) 13.258 15.515 ( -9.616 16.656 0.281) 19.235 16.386 ( -1.470 2.547 -3.301) 4.421 16.424 ( 0.319 -0.552 -0.503) 0.812 16.929 ( -3.713 6.430 -4.995) 8.949 17.350 ( 0.794 -1.376 9.957) 10.083 17.415 ( -0.590 1.021 7.233) 7.328 18.473 ( -0.326 0.565 -6.999) 7.030 18.922 ( 1.754 -3.038 -6.916) 7.754 19.490 ( 0.235 -0.407 -2.047) 2.100 19.545 ( 0.358 -0.621 1.799) 1.937 19.627 ( 4.222 -7.313 0.221) 8.447======================= Grid point 424 (80/120) =======================q-point: ( 0.18 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.081 ( 5.017 8.690 0.040) 10.034 2.408 ( 8.100 14.029 -3.080) 16.489 3.117 ( -0.425 -0.736 6.162) 6.220 3.290 ( 6.480 11.224 -0.208) 12.962 3.689 ( -0.745 -1.290 -2.366) 2.796 4.191 ( -4.709 -8.157 2.380) 9.714 4.856 ( 6.742 11.677 8.033) 15.696 5.860 ( -2.138 -3.703 -1.807) 4.642 6.190 ( 5.424 9.395 -6.114) 12.453 7.601 ( -4.444 -7.697 -4.264) 9.858 7.673 ( -14.827 -25.681 -0.962) 29.670 7.744 ( 0.059 0.102 1.205) 1.210 9.095 ( -1.614 -2.796 -4.611) 5.629 9.229 ( -1.396 -2.417 2.111) 3.500 10.611 ( 8.220 14.238 2.057) 16.568 14.817 ( -3.583 -6.205 -0.837) 7.214 15.771 ( 8.061 13.962 -1.318) 16.176 15.852 ( 2.525 4.374 1.729) 5.339 16.347 ( 2.312 4.004 3.783) 5.974 16.471 ( 6.918 11.982 -6.793) 15.414 17.512 ( -3.529 -6.112 2.087) 7.360 17.553 ( 9.002 15.592 6.211) 19.046 18.588 ( -7.694 -13.326 -13.410) 20.411 19.086 ( -2.947 -5.104 -2.498) 6.402 19.428 ( 0.669 1.158 -3.882) 4.106 19.505 ( 1.703 2.950 -0.162) 3.410 19.632 ( -4.235 -7.335 7.088) 11.044======================= Grid point 425 (81/120) =======================q-point: ( 0.27 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.251 ( 2.272 12.193 -7.927) 14.720 2.634 ( -3.586 22.766 -2.051) 23.138 3.102 ( 1.293 -3.354 3.109) 4.752 3.421 ( 2.480 -1.179 4.748) 5.485 3.741 ( 5.234 3.796 -2.547) 6.949 4.034 ( -2.682 -10.100 4.692) 11.455 5.151 ( 13.919 11.620 4.388) 18.655 5.786 ( -0.430 -6.037 -0.344) 6.062 6.365 ( 3.700 7.274 -4.621) 9.379 7.151 ( -14.579 -23.689 -3.114) 27.989 7.397 ( -5.985 -12.312 -7.110) 15.426 7.876 ( 5.727 11.988 3.735) 13.800 8.824 ( -24.251 8.195 -1.784) 25.660 9.350 ( 17.619 -16.741 -0.052) 24.304 10.835 ( 3.287 11.111 2.818) 11.924 14.706 ( -0.575 -8.358 -0.647) 8.403 15.840 ( -8.296 15.491 0.493) 17.579 16.120 ( 14.685 3.769 -0.507) 15.169 16.422 ( 1.196 4.143 3.333) 5.450 16.728 ( 8.435 13.122 -7.994) 17.528 17.382 ( -3.734 -6.626 3.041) 8.191 17.698 ( -3.258 -0.448 11.966) 12.410 18.418 ( -1.190 -0.557 -17.423) 17.473 18.977 ( -3.238 -6.021 -3.237) 7.564 19.456 ( 1.477 0.529 -3.227) 3.588 19.520 ( -0.798 -6.638 8.277) 10.640 19.548 ( 0.992 0.914 -0.668) 1.505======================= Grid point 426 (82/120) =======================q-point: ( 0.36 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( -2.934 11.816 -12.418) 17.391 2.737 ( -13.089 27.519 -0.718) 30.482 3.091 ( 4.132 -8.054 -0.176) 9.053 3.433 ( -0.569 2.182 7.343) 7.681 3.849 ( 3.353 0.355 -1.585) 3.726 3.917 ( 1.361 -9.765 8.034) 12.718 5.526 ( 15.880 6.725 0.589) 17.255 5.731 ( 1.183 -7.124 0.076) 7.222 6.342 ( -5.844 -8.875 -0.290) 10.630 6.853 ( 0.325 -6.908 -6.712) 9.637 7.202 ( -2.797 -9.028 -7.376) 11.989 8.143 ( 6.461 19.430 2.573) 20.637 8.482 ( -23.026 5.763 -0.348) 23.738 9.446 ( 14.106 -19.345 -0.274) 23.943 10.945 ( -1.646 8.413 3.042) 9.096 14.641 ( 2.824 -8.382 -0.652) 8.869 15.846 ( -9.072 15.946 0.532) 18.354 16.354 ( 7.977 2.756 -0.306) 8.445 16.450 ( -1.868 1.660 1.477) 2.903 16.988 ( 5.571 10.492 -7.916) 14.275 17.291 ( 1.316 -3.968 6.269) 7.535 17.503 ( -10.221 -6.523 3.897) 12.735 18.485 ( 2.109 5.053 -8.429) 10.052 18.871 ( -1.151 -5.916 -5.461) 8.133 19.462 ( 2.632 -6.834 8.030) 10.867 19.487 ( 0.389 0.767 -1.345) 1.596 19.561 ( 0.472 -0.530 -1.715) 1.856======================= Grid point 432 (83/120) =======================q-point: (-0.09 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( -4.233 7.331 14.617) 16.892 1.980 ( 1.409 -2.441 22.661) 22.835 2.778 ( -15.206 26.337 -3.832) 30.652 3.358 ( -2.098 3.634 -1.325) 4.400 3.495 ( 1.695 -2.937 -3.594) 4.941 4.497 ( -0.552 0.955 -0.405) 1.175 4.870 ( 7.645 -13.242 9.602) 18.055 5.815 ( -1.838 3.183 -5.488) 6.605 5.889 ( -1.353 2.343 -6.533) 7.071 7.731 ( 2.824 -4.892 2.669) 6.248 8.114 ( 4.540 -7.864 -6.936) 11.426 8.646 ( 8.589 -14.876 -1.081) 17.211 9.088 ( 0.222 -0.384 -2.270) 2.313 9.154 ( 0.217 -0.376 3.024) 3.055 9.884 ( -13.725 23.772 -1.890) 27.514 14.897 ( 1.170 -2.026 -0.135) 2.344 15.245 ( -6.630 11.484 -1.706) 13.370 15.801 ( -1.732 3.000 3.188) 4.708 16.036 ( -4.839 8.381 -0.184) 9.680 16.208 ( 0.822 -1.423 1.987) 2.578 16.654 ( -11.977 20.745 -2.957) 24.136 17.697 ( 1.284 -2.225 1.472) 2.961 19.050 ( 7.911 -13.702 -0.703) 15.837 19.267 ( 0.358 -0.620 -2.751) 2.843 19.367 ( -0.970 1.679 -1.999) 2.785 19.373 ( -1.208 2.092 -0.453) 2.458 20.102 ( 2.502 -4.334 -0.954) 5.095======================= Grid point 436 (84/120) =======================q-point: ( 0.27 0.27 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.477 ( 5.873 10.172 -10.627) 15.839 2.941 ( -0.321 -0.556 -2.597) 2.675 3.114 ( 6.706 11.615 0.244) 13.414 3.419 ( 0.980 1.698 7.937) 8.176 3.814 ( 1.755 3.041 -1.002) 3.651 3.837 ( -5.537 -9.591 6.682) 12.935 5.409 ( 8.649 14.981 2.230) 17.442 5.680 ( -2.342 -4.056 0.469) 4.706 6.345 ( -8.380 -14.515 0.600) 16.772 6.819 ( -1.759 -3.047 -8.144) 8.872 7.180 ( -5.779 -10.010 -7.946) 14.027 8.182 ( 10.470 18.134 2.467) 21.084 8.908 ( -3.907 -6.767 -3.571) 8.591 9.035 ( -4.622 -8.006 2.614) 9.607 11.002 ( 3.313 5.738 2.980) 7.265 14.574 ( -2.731 -4.729 -0.688) 5.504 16.065 ( 3.256 5.640 0.838) 6.566 16.240 ( 5.296 9.174 -0.185) 10.594 16.477 ( 0.481 0.833 3.573) 3.700 16.986 ( 7.228 12.520 -7.925) 16.487 17.258 ( -3.001 -5.198 4.602) 7.563 17.567 ( -6.147 -10.647 1.168) 12.349 18.495 ( 3.820 6.616 -10.754) 13.192 18.850 ( -3.834 -6.641 -3.561) 8.455 19.399 ( -2.203 -3.815 9.722) 10.673 19.489 ( 0.774 1.340 -1.445) 2.117 19.554 ( -0.234 -0.405 -0.856) 0.975======================= Grid point 437 (85/120) =======================q-point: ( 0.36 0.27 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.601 ( -6.356 11.009 -10.655) 16.587 2.884 ( 6.264 -10.850 -6.337) 14.040 3.256 ( -12.807 22.183 2.912) 25.780 3.487 ( -0.645 1.117 9.554) 9.640 3.698 ( 6.891 -11.936 6.039) 15.048 3.846 ( 0.263 -0.456 -0.126) 0.541 5.620 ( 1.516 -2.626 0.140) 3.036 5.680 ( -4.614 7.992 1.333) 9.324 6.049 ( 8.674 -15.025 1.619) 17.424 6.870 ( -2.738 4.742 -8.603) 10.198 7.043 ( 3.885 -6.728 -8.159) 11.266 8.552 ( -5.787 10.024 -2.348) 11.810 8.579 ( -8.476 14.681 3.010) 17.217 9.030 ( 12.780 -22.135 0.511) 25.564 11.059 ( -1.715 2.970 2.993) 4.552 14.526 ( 1.731 -2.999 -0.733) 3.539 16.109 ( -5.181 8.974 0.740) 10.388 16.387 ( -0.187 0.324 0.774) 0.859 16.451 ( 0.584 -1.011 2.280) 2.562 17.143 ( -3.093 5.358 -1.328) 6.328 17.228 ( 1.817 -3.147 8.439) 9.188 17.393 ( 1.792 -3.104 -13.108) 13.589 18.596 ( -3.139 5.437 -5.653) 8.448 18.753 ( 3.202 -5.546 -4.992) 8.120 19.360 ( 1.645 -2.850 11.036) 11.516 19.509 ( -0.717 1.242 -1.333) 1.958 19.544 ( 0.656 -1.135 -1.208) 1.783======================= Grid point 443 (86/120) =======================q-point: (-0.18 0.27 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( -6.006 13.628 6.043) 16.072 1.929 ( -2.896 -3.986 14.322) 15.146 3.152 ( -2.199 9.561 -8.874) 13.229 3.428 ( -1.928 -10.263 -1.372) 10.532 3.549 ( -9.538 17.850 3.015) 20.462 4.493 ( 2.759 1.046 -2.049) 3.592 4.727 ( -0.974 0.943 11.976) 12.052 5.912 ( -3.749 3.873 -4.191) 6.828 5.943 ( -3.945 1.617 -5.247) 6.761 7.599 ( 6.087 -7.099 1.422) 9.458 7.961 ( 5.903 -3.576 -5.830) 9.034 8.294 ( 9.953 -23.656 -2.886) 25.827 8.827 ( 24.021 10.416 0.350) 26.185 9.361 ( -20.285 -12.766 1.365) 24.007 10.298 ( -9.612 18.344 0.104) 20.710 14.871 ( -2.016 -5.170 0.068) 5.549 15.468 ( -1.468 15.325 -0.681) 15.410 15.883 ( -6.796 1.456 0.963) 7.017 16.167 ( -2.881 5.022 -2.212) 6.198 16.219 ( -3.726 0.365 3.910) 5.414 17.100 ( -15.814 15.541 0.975) 22.194 17.632 ( 3.144 -3.317 1.267) 4.743 18.740 ( 10.550 -14.194 -2.838) 17.911 19.225 ( 2.760 -1.998 -3.503) 4.887 19.410 ( -1.775 2.059 -2.802) 3.904 19.434 ( -2.503 2.754 0.067) 3.722 20.018 ( 4.449 -0.061 -2.608) 5.157======================= Grid point 455 (87/120) =======================q-point: (-0.27 0.36 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 0.277 6.751 -3.961) 7.832 2.073 ( -5.313 10.860 7.476) 14.215 3.147 ( 4.306 -4.625 3.855) 7.402 3.405 ( -6.553 -2.941 0.420) 7.195 3.840 ( -4.807 10.218 -5.545) 12.580 4.419 ( 6.394 -0.558 -1.682) 6.635 4.968 ( -17.102 14.528 8.548) 24.013 5.971 ( -1.737 1.294 -3.336) 3.978 6.092 ( -7.991 4.000 -4.012) 9.796 7.370 ( 10.218 -10.566 -1.239) 14.751 7.810 ( 11.514 -17.571 -2.916) 21.209 7.909 ( 4.921 -5.489 -3.248) 8.055 8.525 ( 21.268 7.762 0.846) 22.656 9.559 ( -17.804 -13.677 1.507) 22.501 10.574 ( -4.551 13.237 2.256) 14.178 14.856 ( -3.966 -8.411 -0.210) 9.301 15.548 ( 8.470 14.893 0.113) 17.133 16.090 ( -13.099 3.345 -0.971) 13.554 16.256 ( -3.029 3.186 -4.566) 6.338 16.339 ( -8.067 2.951 5.910) 10.426 17.410 ( -8.091 1.627 11.218) 13.927 17.525 ( 4.720 -4.554 1.564) 6.742 18.481 ( 5.727 -5.533 -8.968) 11.993 19.141 ( 4.135 -2.859 -4.140) 6.513 19.460 ( -1.646 2.066 -3.288) 4.218 19.501 ( -2.066 2.183 0.023) 3.006 19.951 ( 4.740 2.515 -3.483) 6.397======================= Grid point 456 (88/120) =======================q-point: (-0.18 0.36 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( -0.571 0.989 4.809) 4.942 2.103 ( -12.417 21.507 3.771) 25.119 3.208 ( 5.919 -10.252 3.620) 12.379 3.268 ( -1.939 3.358 -2.801) 4.784 3.851 ( -5.986 10.369 -4.831) 12.911 4.474 ( 1.917 -3.320 -3.000) 4.868 4.891 ( -9.391 16.266 10.259) 21.401 5.958 ( -0.499 0.864 -4.474) 4.584 6.040 ( -4.407 7.634 -2.918) 9.285 7.411 ( 6.767 -11.721 -0.572) 13.547 7.807 ( 14.591 -25.272 -4.252) 29.490 7.928 ( -0.221 0.383 -3.254) 3.284 8.944 ( 3.335 -5.776 -1.507) 6.838 9.142 ( 0.987 -1.709 4.117) 4.566 10.607 ( -7.295 12.636 2.183) 14.753 14.775 ( 2.578 -4.465 0.143) 5.157 15.795 ( -8.562 14.829 -1.217) 17.167 15.897 ( -1.454 2.519 0.321) 2.927 16.251 ( -2.205 3.820 6.004) 7.450 16.283 ( -3.237 5.606 -3.652) 7.432 17.341 ( -4.035 6.988 9.916) 12.785 17.543 ( 3.319 -5.748 1.259) 6.756 18.504 ( 4.528 -7.843 -7.897) 12.016 19.162 ( 2.495 -4.321 -3.909) 6.339 19.456 ( -1.494 2.587 -3.411) 4.534 19.494 ( -1.698 2.941 0.235) 3.404 20.007 ( 0.610 -1.056 -4.468) 4.631======================= Grid point 467 (89/120) =======================q-point: (-0.36 0.45 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( 0.652 6.814 -11.399) 13.297 2.227 ( 2.066 14.818 4.428) 15.603 2.978 ( 3.989 -10.747 8.005) 13.982 3.588 ( -10.380 6.463 2.594) 12.500 3.949 ( -0.646 4.820 -6.094) 7.797 4.261 ( 9.100 -3.495 1.355) 9.842 5.491 ( -22.564 16.500 0.233) 27.954 6.007 ( -1.467 0.222 -2.700) 3.081 6.243 ( -3.778 1.769 -3.605) 5.513 7.082 ( 8.155 -10.766 -2.964) 13.827 7.360 ( 12.148 -22.040 -1.831) 25.233 7.917 ( 0.229 8.155 -0.236) 8.162 8.261 ( 16.278 4.386 0.779) 16.876 9.692 ( -14.331 -15.399 1.630) 21.099 10.725 ( -0.130 9.637 3.434) 10.231 14.840 ( -5.374 -10.804 -0.544) 12.079 15.528 ( 10.478 15.634 0.294) 18.822 16.315 ( -4.952 1.496 -6.391) 8.222 16.333 ( -5.306 4.204 -2.251) 7.134 16.543 ( -11.483 1.964 7.534) 13.873 17.389 ( 4.697 -6.365 5.072) 9.397 17.401 ( 1.860 -8.088 13.025) 15.444 18.464 ( -2.269 4.361 -10.011) 11.153 19.036 ( 4.128 -3.272 -5.328) 7.492 19.505 ( -1.100 2.091 -3.042) 3.852 19.540 ( -0.504 1.090 -0.621) 1.352 19.907 ( 3.947 3.743 -3.544) 6.492======================= Grid point 468 (90/120) =======================q-point: (-0.27 0.45 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( -2.579 5.969 -1.736) 6.730 2.477 ( -1.978 24.670 1.953) 24.826 2.986 ( 8.131 -8.545 4.945) 12.790 3.409 ( -12.382 2.016 2.522) 12.795 3.977 ( -1.646 4.529 -5.747) 7.500 4.354 ( 6.689 -6.232 -1.837) 9.325 5.314 ( -17.103 19.278 2.805) 25.923 5.971 ( -1.168 -0.868 -4.367) 4.603 6.199 ( -5.207 6.162 -1.471) 8.201 7.145 ( 10.608 -11.788 -2.390) 16.037 7.316 ( 11.681 -25.595 -4.943) 28.566 7.981 ( -1.826 6.780 -0.685) 7.055 8.666 ( 22.129 5.714 1.013) 22.877 9.240 ( -16.783 -17.219 2.789) 24.206 10.801 ( -2.829 9.304 3.603) 10.371 14.697 ( -0.310 -7.229 -0.394) 7.246 15.858 ( 9.011 14.740 0.130) 17.277 16.156 ( -14.588 4.301 -1.698) 15.303 16.334 ( -1.866 4.595 1.452) 5.167 16.414 ( -6.700 4.138 1.184) 7.963 17.345 ( 2.141 -7.435 15.304) 17.149 17.409 ( 4.608 -7.045 2.050) 8.664 18.469 ( -2.007 3.817 -10.541) 11.389 19.060 ( 3.680 -5.244 -4.559) 7.863 19.507 ( -1.326 2.496 -3.392) 4.415 19.542 ( -1.017 1.885 -0.278) 2.160 19.981 ( 1.942 0.557 -4.861) 5.264======================= Grid point 477 (91/120) =======================q-point: (-0.45 0.55 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( 3.986 6.903 -13.727) 15.873 2.291 ( 7.685 13.311 2.587) 15.586 2.874 ( -4.673 -8.094 10.604) 14.135 3.763 ( 2.569 4.450 -0.222) 5.143 3.977 ( 1.739 3.013 -6.233) 7.138 4.118 ( -0.774 -1.340 5.870) 6.071 5.887 ( 0.876 1.517 -6.074) 6.322 6.019 ( 0.035 0.061 -1.928) 1.930 6.202 ( -0.267 -0.463 -2.919) 2.968 7.018 ( -3.921 -6.791 -2.551) 8.246 7.052 ( -5.112 -8.855 -0.317) 10.230 8.011 ( 6.117 10.596 2.258) 12.442 8.088 ( 2.927 5.069 -0.810) 5.909 9.740 ( -10.226 -17.712 1.672) 20.520 10.774 ( 4.008 6.942 3.776) 8.861 14.832 ( -6.528 -11.306 -0.689) 13.074 15.514 ( 9.749 16.886 0.363) 19.501 16.344 ( 0.490 0.849 -8.913) 8.966 16.428 ( -0.131 -0.226 -0.512) 0.574 16.679 ( -2.871 -4.972 7.897) 9.763 17.284 ( -2.515 -4.355 10.436) 11.585 17.332 ( -2.027 -3.510 7.083) 8.161 18.529 ( 1.711 2.963 -7.300) 8.062 18.972 ( -0.575 -0.996 -6.537) 6.637 19.531 ( 0.791 1.370 -2.958) 3.355 19.544 ( 0.264 0.457 -0.886) 1.032 19.892 ( 2.612 4.523 -3.412) 6.239======================= Grid point 479 (92/120) =======================q-point: (-0.36 0.55 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( 0.413 8.295 -5.475) 9.947 2.654 ( 2.956 16.436 3.756) 17.117 2.784 ( 10.055 0.661 4.850) 11.183 3.711 ( -15.114 5.563 1.914) 16.219 4.025 ( 0.235 2.900 -5.258) 6.010 4.128 ( 8.722 -10.467 1.201) 13.678 5.786 ( -16.186 12.818 -3.807) 20.995 5.980 ( -1.571 -2.385 -4.519) 5.346 6.262 ( 4.165 -0.684 -0.216) 4.226 6.875 ( 2.009 -10.124 -5.364) 11.632 6.971 ( 4.890 -15.036 -2.488) 16.006 8.125 ( -3.724 12.423 1.012) 13.009 8.363 ( 18.976 5.432 2.059) 19.845 9.323 ( -14.536 -20.730 2.599) 25.451 10.893 ( 1.256 6.749 4.243) 8.070 14.649 ( -3.064 -7.904 -0.802) 8.515 15.851 ( 9.305 15.796 0.518) 18.340 16.362 ( -3.011 3.209 -4.919) 6.600 16.400 ( -2.450 2.560 -0.395) 3.566 16.570 ( -6.612 0.375 5.948) 8.902 17.213 ( 1.204 -8.110 11.974) 14.512 17.273 ( 1.647 -6.801 4.978) 8.587 18.574 ( -1.808 6.177 -7.884) 10.177 18.951 ( 1.862 -5.112 -5.751) 7.917 19.547 ( -0.591 1.965 -2.790) 3.463 19.562 ( 0.464 1.007 -1.288) 1.699 19.958 ( 1.678 1.546 -4.582) 5.118======================= Grid point 480 (93/120) =======================q-point: (-0.27 0.55 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.092 ( -5.214 9.031 -1.031) 10.479 2.650 ( 5.019 -8.693 4.636) 11.057 3.108 ( -10.900 18.879 0.309) 21.802 3.489 ( -4.668 8.086 3.590) 10.003 4.042 ( -1.295 2.243 -4.918) 5.558 4.159 ( 7.946 -13.762 -0.762) 15.909 5.698 ( -10.934 18.938 -2.380) 21.997 5.950 ( 0.552 -0.957 -5.084) 5.202 6.292 ( -0.597 1.034 1.123) 1.639 6.861 ( 9.737 -16.866 -8.508) 21.252 6.927 ( 6.173 -10.692 -2.504) 12.598 8.155 ( -6.128 10.613 1.130) 12.307 8.693 ( 3.415 -5.915 1.338) 6.960 8.955 ( 4.645 -8.045 4.226) 10.206 10.938 ( -2.650 4.590 4.438) 6.913 14.582 ( 2.366 -4.098 -0.844) 4.807 16.058 ( -2.876 4.981 0.878) 5.818 16.296 ( -5.281 9.148 -2.288) 10.808 16.424 ( -2.034 3.523 5.327) 6.703 16.494 ( -2.364 4.094 -2.282) 5.249 17.179 ( 4.324 -7.490 13.392) 15.942 17.255 ( 4.573 -7.920 3.682) 9.859 18.589 ( -4.150 7.188 -8.429) 11.830 18.941 ( 3.758 -6.509 -5.198) 9.139 19.552 ( -1.085 1.880 -3.115) 3.797 19.571 ( -0.538 0.931 -0.958) 1.440 19.980 ( 0.211 -0.366 -4.992) 5.010======================= Grid point 491 (94/120) =======================q-point: (-0.36 0.64 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.227 ( 5.472 9.478 -0.358) 10.950 2.504 ( -6.130 -10.617 4.416) 13.031 3.290 ( 16.110 27.903 0.741) 32.228 3.778 ( -2.442 -4.229 0.860) 4.959 3.841 ( -7.523 -13.030 1.729) 15.145 4.065 ( 0.587 1.016 -4.525) 4.675 5.934 ( -0.769 -1.332 -5.830) 6.029 5.987 ( 3.893 6.743 -3.858) 8.690 6.202 ( -2.530 -4.381 0.520) 5.086 6.729 ( -1.736 -3.007 -7.580) 8.338 6.786 ( -2.819 -4.882 -3.580) 6.678 8.338 ( 3.189 5.523 0.750) 6.422 8.521 ( 7.606 13.174 3.870) 15.697 8.909 ( -11.496 -19.911 3.649) 23.279 10.984 ( 1.339 2.319 4.708) 5.416 14.541 ( -1.634 -2.830 -1.034) 3.428 16.100 ( 4.430 7.674 0.966) 8.913 16.426 ( 0.781 1.353 0.337) 1.598 16.439 ( 1.602 2.775 0.001) 3.204 16.549 ( -1.245 -2.157 0.776) 2.609 17.106 ( -1.321 -2.288 9.740) 10.092 17.150 ( -2.657 -4.601 6.573) 8.452 18.694 ( 3.118 5.401 -6.785) 9.215 18.844 ( -2.945 -5.101 -6.027) 8.427 19.575 ( 0.363 0.628 -2.609) 2.708 19.577 ( 0.341 0.591 -1.640) 1.777 19.975 ( 0.189 0.327 -4.878) 4.892======================= Grid point 532 (95/120) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 0.000 0.000 8.043) 8.043 1.846 ( 0.000 0.000 8.043) 8.043 2.728 ( 0.000 -0.000 9.706) 9.706 3.261 ( 0.000 -0.000 -4.552) 4.552 3.261 ( 0.000 -0.000 -4.552) 4.552 4.519 ( 0.000 -0.000 1.010) 1.010 5.376 ( 0.000 0.000 -1.274) 1.274 5.675 ( 0.000 0.000 -2.636) 2.636 5.675 ( 0.000 -0.000 -2.636) 2.636 7.917 ( 0.000 -0.000 3.552) 3.552 8.256 ( 0.000 -0.000 -5.286) 5.286 8.900 ( 0.000 -0.000 1.620) 1.620 8.900 ( -0.000 -0.000 1.620) 1.620 9.251 ( 0.000 0.000 -0.583) 0.583 9.251 ( 0.000 -0.000 -0.583) 0.583 14.939 ( -0.000 0.000 -0.674) 0.674 14.939 ( 0.000 -0.000 -0.674) 0.674 15.784 ( 0.000 0.000 1.967) 1.967 15.784 ( 0.000 0.000 1.967) 1.967 16.264 ( 0.000 0.000 0.259) 0.259 16.264 ( 0.000 -0.000 0.259) 0.259 17.766 ( 0.000 0.000 0.734) 0.734 19.228 ( 0.000 -0.000 -0.491) 0.491 19.317 ( 0.000 0.000 -0.810) 0.810 19.317 ( -0.000 0.000 -0.810) 0.810 19.317 ( 0.000 0.000 0.016) 0.016 20.255 ( 0.000 0.000 -0.045) 0.045======================= Grid point 533 (96/120) =======================q-point: ( 0.09 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( -5.489 7.334 9.843) 13.446 2.116 ( 24.373 1.077 5.103) 24.925 2.611 ( -10.159 -1.116 4.101) 11.012 3.257 ( 4.879 -2.861 1.754) 5.922 3.378 ( 4.311 6.979 -6.896) 10.716 4.503 ( -1.177 -1.118 0.733) 1.781 5.193 ( -12.388 -8.588 1.851) 15.187 5.703 ( 2.031 2.644 -2.518) 4.178 5.722 ( 3.212 2.095 -3.687) 5.320 7.878 ( -3.239 -1.796 3.771) 5.286 8.120 ( -8.687 -5.069 -5.001) 11.233 8.818 ( -3.630 -7.544 1.448) 8.497 8.999 ( -7.420 0.501 -1.103) 7.518 9.332 ( 4.039 13.527 1.416) 14.188 9.392 ( 21.998 1.974 -1.464) 22.135 14.936 ( -0.797 1.442 -0.442) 1.706 15.030 ( 8.021 3.140 -0.858) 8.656 15.801 ( 2.120 -0.211 1.839) 2.814 15.916 ( 8.572 5.898 1.161) 10.470 16.257 ( -0.534 0.286 0.471) 0.767 16.360 ( 9.907 5.727 -0.359) 11.449 17.751 ( -1.356 -0.840 0.709) 1.746 19.229 ( -3.705 -1.947 -0.330) 4.198 19.234 ( -4.001 -2.130 -0.724) 4.590 19.320 ( 0.554 0.271 -0.507) 0.798 19.333 ( 1.274 0.720 -0.739) 1.639 20.180 ( -5.710 -3.939 0.203) 6.940======================= Grid point 534 (97/120) =======================q-point: ( 0.18 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( -5.009 2.838 4.697) 7.430 2.332 ( -4.381 -4.874 10.465) 12.348 2.698 ( 20.002 11.990 -6.383) 24.178 3.356 ( 9.306 -2.163 3.402) 10.141 3.501 ( 1.195 6.633 -4.061) 7.869 4.456 ( -2.019 -2.689 0.058) 3.363 4.931 ( -6.805 -5.110 4.210) 9.494 5.795 ( 4.258 4.096 -2.085) 6.265 5.807 ( 4.049 2.552 -3.287) 5.806 7.782 ( -5.874 -2.254 4.846) 7.942 7.910 ( -8.521 -6.354 -6.102) 12.256 8.649 ( -2.624 -18.027 1.811) 18.307 8.707 ( -23.203 2.620 -2.265) 23.460 9.522 ( 7.591 6.527 0.240) 10.014 9.913 ( 23.088 11.914 -0.427) 25.984 14.943 ( -0.084 1.544 -0.464) 1.615 15.232 ( 9.187 4.375 -0.375) 10.183 15.854 ( 3.982 1.010 1.022) 4.234 16.074 ( 4.099 3.284 -0.263) 5.259 16.274 ( 1.913 2.032 1.190) 3.034 16.766 ( 23.813 14.381 -0.971) 27.835 17.701 ( -2.895 -1.847 0.673) 3.500 18.978 ( -15.383 -7.509 -0.517) 17.126 19.196 ( -2.373 -2.097 -1.304) 3.425 19.344 ( 1.311 0.885 -0.969) 1.855 19.386 ( 3.235 1.806 -0.118) 3.707 20.023 ( -6.006 -5.465 0.423) 8.131======================= Grid point 535 (98/120) =======================q-point: ( 0.27 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( -4.703 -0.366 -1.264) 4.884 2.233 ( -3.491 0.909 5.079) 6.230 3.106 ( 13.141 6.659 -0.712) 14.749 3.520 ( 6.297 4.510 -1.922) 7.980 3.543 ( 2.731 -0.848 1.201) 3.102 4.384 ( -2.441 -3.939 -0.240) 4.640 4.930 ( 7.807 3.900 4.201) 9.686 5.878 ( 3.264 1.312 -1.547) 3.843 5.952 ( 6.975 5.647 -2.470) 9.308 7.573 ( -13.766 -5.794 0.908) 14.964 7.778 ( -1.018 -2.966 -2.106) 3.777 8.222 ( -20.466 -15.926 -0.615) 25.940 8.467 ( -10.868 -2.085 -0.353) 11.072 9.713 ( 7.316 5.546 0.239) 9.183 10.344 ( 15.187 8.326 0.357) 17.323 14.962 ( 0.524 1.349 -0.427) 1.509 15.361 ( 2.101 0.418 0.246) 2.156 15.990 ( 9.195 4.322 0.054) 10.160 16.149 ( 1.661 2.823 -1.965) 3.819 16.380 ( 6.611 4.891 2.120) 8.492 17.352 ( 24.628 15.650 1.180) 29.204 17.616 ( -4.306 -2.743 0.752) 5.160 18.581 ( -19.524 -10.170 -1.918) 22.098 19.116 ( -3.902 -3.149 -1.636) 5.274 19.379 ( 1.775 0.846 -1.259) 2.335 19.463 ( 3.100 1.871 0.038) 3.621 19.888 ( -3.510 -5.004 0.246) 6.117======================= Grid point 536 (99/120) =======================q-point: ( 0.36 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( -2.651 1.080 -5.318) 6.040 2.209 ( -1.094 0.973 2.481) 2.880 3.259 ( 0.790 2.586 3.222) 4.206 3.533 ( 0.433 -0.061 1.760) 1.813 3.719 ( 8.986 2.351 -3.602) 9.962 4.300 ( -2.618 -4.005 0.434) 4.805 5.241 ( 18.602 9.427 2.075) 20.957 5.939 ( 2.941 -0.003 -0.698) 3.023 6.129 ( 6.076 5.317 -2.410) 8.426 7.254 ( -14.340 -6.739 -0.921) 15.871 7.711 ( -20.762 -12.042 -0.280) 24.003 7.787 ( 2.907 -0.870 -0.460) 3.069 8.259 ( -9.854 -3.622 -0.288) 10.503 9.870 ( 5.094 4.121 0.243) 6.557 10.605 ( 8.097 4.633 1.000) 9.383 14.984 ( 0.687 0.810 -0.338) 1.114 15.340 ( -2.236 -1.695 0.280) 2.820 16.187 ( 2.838 0.919 -2.022) 3.603 16.223 ( 7.796 6.681 -1.399) 10.362 16.587 ( 9.822 7.171 2.358) 12.388 17.511 ( -4.148 -2.585 1.294) 5.056 17.826 ( 9.050 9.892 12.055) 18.030 18.183 ( -9.538 -7.889 -11.119) 16.639 19.002 ( -5.226 -3.982 -2.199) 6.928 19.421 ( 2.123 0.858 -1.226) 2.597 19.517 ( 1.429 0.964 -0.116) 1.727 19.804 ( -1.165 -4.111 -0.054) 4.273======================= Grid point 537 (100/120) =======================q-point: ( 0.45 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( -1.728 2.208 -7.197) 7.724 2.205 ( -0.152 0.227 0.936) 0.975 3.256 ( -3.814 5.017 7.631) 9.896 3.548 ( 3.991 -5.437 -4.239) 7.966 3.851 ( 3.564 1.306 -1.160) 3.969 4.229 ( -1.400 -2.095 2.352) 3.447 5.657 ( 16.082 7.173 -0.940) 17.635 5.972 ( 1.862 -2.086 0.271) 2.809 6.188 ( -3.788 0.390 -2.916) 4.796 7.057 ( -1.160 -0.217 -0.506) 1.285 7.290 ( -14.857 -7.248 -0.465) 16.537 7.873 ( 4.952 2.123 0.452) 5.407 8.071 ( -7.348 -3.062 -0.381) 7.969 9.959 ( 1.531 2.051 0.242) 2.570 10.724 ( 2.465 1.570 1.278) 3.190 14.999 ( 0.380 0.130 -0.263) 0.480 15.291 ( -1.344 -0.750 0.171) 1.548 16.213 ( -0.181 1.486 -3.626) 3.923 16.392 ( 4.399 2.548 -0.371) 5.098 16.806 ( 5.832 5.308 1.646) 8.056 17.469 ( 1.942 1.642 3.248) 4.125 17.657 ( -14.360 -5.522 7.604) 17.162 18.302 ( 8.875 3.651 -5.712) 11.168 18.875 ( -3.947 -3.352 -3.322) 6.152 19.462 ( 1.499 0.354 -0.954) 1.812 19.531 ( -0.157 0.176 -0.374) 0.442 19.764 ( 0.748 -3.217 -0.309) 3.318======================= Grid point 544 (101/120) =======================q-point: ( 0.09 0.09 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 2.096 3.631 -5.306) 6.763 2.158 ( 1.271 2.201 16.860) 17.050 2.665 ( 6.006 10.402 -3.064) 12.396 3.241 ( 0.731 1.266 5.926) 6.104 3.530 ( 4.138 7.168 -6.577) 10.572 4.459 ( -1.888 -3.270 1.367) 4.016 4.973 ( -5.974 -10.347 4.951) 12.933 5.772 ( 2.890 5.006 -3.757) 6.894 5.793 ( 2.072 3.590 -3.624) 5.506 7.819 ( -2.129 -3.688 4.406) 6.128 7.963 ( -5.775 -10.002 -5.454) 12.773 8.555 ( -9.376 -16.239 2.591) 18.930 9.095 ( -0.551 -0.955 -2.253) 2.508 9.269 ( 0.076 0.131 -1.636) 1.643 9.827 ( 14.721 25.497 0.722) 29.450 14.935 ( -0.698 -1.210 -1.810) 2.286 15.196 ( 7.111 12.316 -0.014) 14.221 15.809 ( 0.612 1.059 2.566) 2.842 16.061 ( 4.032 6.984 -0.370) 8.073 16.267 ( 0.661 1.145 0.117) 1.327 16.629 ( 12.457 21.576 -1.442) 24.956 17.716 ( -1.534 -2.657 0.813) 3.173 19.073 ( -7.150 -12.384 -1.669) 14.397 19.207 ( -1.290 -2.235 -0.571) 2.643 19.341 ( 0.437 0.757 -1.166) 1.457 19.363 ( 1.860 3.221 0.013) 3.720 20.050 ( -4.700 -8.141 2.029) 9.617======================= Grid point 545 (102/120) =======================q-point: ( 0.18 0.09 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -12.483 11.315 -1.619) 16.925 2.211 ( 7.118 -4.824 1.335) 8.702 2.987 ( 11.227 15.293 -0.908) 18.993 3.303 ( 8.060 -3.148 4.991) 9.989 3.626 ( -0.317 4.907 -2.296) 5.427 4.379 ( -2.469 -4.968 2.381) 6.037 4.879 ( 1.744 1.196 5.085) 5.507 5.846 ( 1.532 1.069 -1.976) 2.719 5.907 ( 5.636 7.102 -3.963) 9.895 7.710 ( -9.151 -7.495 0.526) 11.840 7.780 ( -2.241 -3.274 -1.413) 4.212 8.187 ( -10.056 -24.532 1.686) 26.566 8.886 ( -22.248 9.893 -2.449) 24.471 9.429 ( 18.240 -10.645 -1.146) 21.150 10.287 ( 11.290 20.436 0.608) 23.355 14.905 ( 0.697 -4.586 -1.407) 4.848 15.438 ( 2.611 15.124 0.197) 15.349 15.863 ( 6.342 0.214 1.532) 6.528 16.178 ( 1.812 6.921 -2.547) 7.594 16.324 ( 4.166 2.984 0.448) 5.144 17.149 ( 19.950 22.997 -1.382) 30.476 17.645 ( -3.016 -3.866 0.982) 5.001 18.747 ( -14.096 -15.535 -3.141) 21.211 19.142 ( -2.926 -3.424 -0.419) 4.523 19.361 ( 1.155 0.831 -1.046) 1.765 19.438 ( 2.639 3.292 -0.030) 4.219 19.895 ( -4.089 -6.724 3.813) 8.745======================= Grid point 546 (103/120) =======================q-point: ( 0.27 0.09 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( -9.957 12.745 -5.508) 17.086 2.283 ( -0.640 7.019 -0.532) 7.068 3.201 ( 4.219 1.071 1.734) 4.685 3.474 ( 11.106 -1.620 -1.402) 11.310 3.649 ( 0.199 5.060 2.177) 5.512 4.285 ( -1.957 -5.917 3.447) 7.122 5.057 ( 12.438 8.604 4.209) 15.699 5.873 ( 2.373 -2.052 0.094) 3.139 6.092 ( 6.413 8.332 -3.942) 11.229 7.413 ( -13.904 -10.320 -2.920) 17.560 7.736 ( -8.757 -22.044 0.075) 23.720 7.791 ( -0.822 -0.651 2.330) 2.555 8.597 ( -21.957 9.157 -2.368) 23.908 9.622 ( 16.627 -11.577 -1.059) 20.288 10.606 ( 5.589 15.067 0.850) 16.092 14.869 ( 2.717 -8.535 -0.752) 8.989 15.535 ( -7.390 14.629 0.548) 16.399 16.052 ( 12.184 2.761 0.232) 12.495 16.260 ( -0.432 7.667 -4.167) 8.737 16.482 ( 9.351 5.150 0.187) 10.677 17.541 ( -3.732 -4.667 1.288) 6.113 17.697 ( 18.362 18.116 2.101) 25.880 18.317 ( -16.456 -15.991 -5.593) 23.617 19.041 ( -4.290 -4.410 -0.621) 6.184 19.396 ( 1.849 1.013 -0.832) 2.266 19.505 ( 1.713 2.188 -0.154) 2.783 19.784 ( -2.041 -5.144 4.608) 7.201======================= Grid point 547 (104/120) =======================q-point: ( 0.36 0.09 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( -8.677 15.557 -9.241) 20.067 2.322 ( -5.926 12.364 0.408) 13.717 3.233 ( 4.034 -6.516 -1.451) 7.800 3.528 ( -1.611 1.968 5.072) 5.673 3.787 ( 6.612 3.482 -0.448) 7.486 4.203 ( -0.467 -5.865 3.944) 7.083 5.424 ( 18.378 8.490 2.760) 20.431 5.887 ( 2.976 -4.916 1.719) 5.998 6.249 ( 1.288 6.192 -3.841) 7.400 7.072 ( -9.203 -12.966 -1.660) 15.986 7.347 ( -8.279 -18.892 -2.007) 20.724 7.887 ( 2.658 10.152 1.442) 10.593 8.323 ( -18.872 6.610 -1.791) 20.077 9.757 ( 13.129 -13.118 -1.099) 18.592 10.784 ( 0.226 11.177 0.939) 11.219 14.834 ( 4.784 -11.199 -0.272) 12.181 15.528 ( -9.944 15.702 0.272) 18.588 16.243 ( 3.476 4.516 -2.758) 6.332 16.341 ( 3.320 5.340 -2.082) 6.623 16.718 ( 10.368 5.793 -1.181) 11.935 17.449 ( -0.920 -3.507 1.940) 4.112 17.833 ( -14.881 -10.671 6.911) 19.572 18.173 ( 12.409 8.381 -8.196) 17.071 18.911 ( -5.017 -5.080 -1.294) 7.256 19.441 ( 1.856 1.175 -0.495) 2.252 19.535 ( 0.169 0.702 -0.468) 0.860 19.721 ( -0.080 -4.021 4.878) 6.322======================= Grid point 548 (105/120) =======================q-point: ( 0.45 0.09 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.836 ( -9.441 16.352 -10.476) 21.593 2.331 ( -7.808 13.524 0.811) 15.637 3.233 ( 4.813 -8.336 -3.336) 10.187 3.522 ( -2.276 3.943 7.023) 8.370 3.865 ( 0.001 -0.002 0.203) 0.203 4.167 ( 2.574 -4.458 4.017) 6.530 5.708 ( 1.702 -2.948 1.129) 3.586 5.868 ( 3.626 -6.281 3.066) 7.874 6.242 ( -2.447 4.239 -3.758) 6.171 6.948 ( 5.964 -10.329 0.228) 11.929 7.148 ( 3.020 -5.231 -4.288) 7.408 8.036 ( -6.796 11.770 1.214) 13.645 8.119 ( -4.609 7.983 -1.723) 9.378 9.805 ( 8.890 -15.398 -1.125) 17.816 10.841 ( -4.707 8.152 0.941) 9.460 14.818 ( 6.634 -11.491 -0.113) 13.269 15.520 ( -9.723 16.840 0.147) 19.446 16.283 ( -3.044 5.272 -4.921) 7.828 16.416 ( 0.138 -0.239 -0.183) 0.331 16.861 ( -0.019 0.032 -2.368) 2.368 17.505 ( 1.440 -2.495 3.723) 4.708 17.526 ( 1.426 -2.470 2.138) 3.564 18.359 ( -0.870 1.507 -2.774) 3.274 18.819 ( 1.089 -1.886 -2.154) 3.063 19.468 ( -0.139 0.240 -0.114) 0.300 19.536 ( -0.110 0.191 -0.856) 0.884 19.701 ( 1.747 -3.025 4.950) 6.058======================= Grid point 557 (106/120) =======================q-point: ( 0.18 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 0.160 0.277 -2.884) 2.902 2.314 ( 8.523 14.762 -5.478) 17.904 3.225 ( -1.952 -3.381 3.701) 5.380 3.270 ( 6.746 11.684 -1.661) 13.593 3.687 ( 1.129 1.955 2.177) 3.136 4.269 ( -3.392 -5.875 5.001) 8.428 4.994 ( 5.753 9.964 4.745) 12.445 5.840 ( -0.796 -1.378 0.073) 1.593 6.077 ( 5.615 9.725 -4.464) 12.084 7.499 ( -7.203 -12.476 -4.618) 15.128 7.677 ( -15.377 -26.633 1.343) 30.783 7.798 ( 2.356 4.081 3.136) 5.660 9.003 ( -1.990 -3.447 -3.942) 5.602 9.247 ( -1.129 -1.955 -0.389) 2.291 10.641 ( 8.572 14.848 0.737) 17.160 14.798 ( -3.270 -5.664 -0.876) 6.598 15.757 ( 8.222 14.241 0.012) 16.444 15.881 ( 1.957 3.390 1.072) 4.059 16.339 ( 5.005 8.668 -5.464) 11.404 16.392 ( 2.581 4.471 0.291) 5.170 17.550 ( -3.226 -5.587 1.330) 6.587 17.621 ( 13.577 23.516 -0.306) 27.155 18.383 ( -11.873 -20.564 -5.494) 24.372 19.058 ( -2.972 -5.147 0.002) 5.943 19.384 ( 0.910 1.575 -0.520) 1.892 19.502 ( 1.605 2.780 -0.133) 3.212 19.776 ( -2.984 -5.168 6.649) 8.934======================= Grid point 558 (107/120) =======================q-point: ( 0.27 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.076 ( -2.539 9.895 -7.975) 12.960 2.589 ( -0.031 22.040 -2.535) 22.186 3.126 ( -2.251 -7.182 -0.693) 7.558 3.484 ( 8.852 1.810 0.668) 9.060 3.744 ( 2.468 4.785 3.182) 6.254 4.154 ( -2.291 -7.404 6.424) 10.067 5.250 ( 11.758 10.676 4.776) 16.584 5.806 ( 0.364 -4.257 2.227) 4.818 6.268 ( 4.791 8.891 -4.317) 10.984 7.120 ( -16.204 -22.745 -0.161) 27.927 7.274 ( -5.290 -16.272 -4.394) 17.665 7.935 ( 4.658 11.079 2.047) 12.191 8.768 ( -22.033 7.292 -3.263) 23.436 9.337 ( 16.279 -16.002 -1.299) 22.864 10.871 ( 3.454 11.109 0.630) 11.650 14.695 ( -0.421 -8.164 -0.368) 8.183 15.850 ( -8.333 15.659 0.416) 17.743 16.115 ( 14.065 3.881 0.058) 14.591 16.428 ( -2.596 8.353 -3.108) 9.283 16.583 ( 11.290 5.537 -4.823) 13.468 17.435 ( -2.920 -5.801 1.678) 6.707 17.938 ( -10.732 -13.124 7.246) 18.437 18.073 ( 9.623 10.861 -12.058) 18.867 18.939 ( -4.388 -5.982 -0.153) 7.421 19.424 ( 1.694 1.810 -0.027) 2.479 19.540 ( 0.438 1.110 -0.182) 1.207 19.693 ( -1.379 -3.984 8.285) 9.297======================= Grid point 559 (108/120) =======================q-point: ( 0.36 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( -5.857 14.008 -9.604) 17.965 2.733 ( -11.316 27.052 -0.372) 29.326 3.029 ( 3.403 -12.664 -4.972) 14.024 3.600 ( 1.205 4.321 7.659) 8.876 3.846 ( 3.336 2.369 1.278) 4.287 4.055 ( 1.425 -9.669 5.103) 11.025 5.575 ( 13.055 7.337 4.088) 15.523 5.770 ( 0.915 -6.066 3.587) 7.107 6.321 ( -4.821 -2.119 -1.755) 5.551 6.763 ( 0.326 -12.859 -1.571) 12.959 7.064 ( -2.410 -10.623 -5.761) 12.322 8.166 ( 5.643 17.181 -0.121) 18.084 8.457 ( -21.513 6.262 -1.939) 22.490 9.425 ( 13.932 -19.352 -1.726) 23.907 10.983 ( -1.500 8.149 0.480) 8.300 14.633 ( 2.886 -8.389 -0.130) 8.872 15.856 ( -9.188 16.149 0.335) 18.583 16.342 ( 6.787 4.686 -0.959) 8.303 16.435 ( -4.142 4.015 -2.368) 6.236 16.812 ( 7.312 3.843 -7.315) 11.033 17.381 ( 4.012 -3.057 1.804) 5.357 17.570 ( -10.558 -13.908 -0.003) 17.461 18.360 ( 6.286 9.112 -2.211) 11.288 18.803 ( -3.324 -5.792 -0.785) 6.724 19.469 ( 1.125 1.672 0.314) 2.039 19.540 ( -0.552 -0.232 -0.285) 0.663 19.650 ( 0.509 -3.034 9.036) 9.545======================= Grid point 565 (109/120) =======================q-point: (-0.09 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( -1.691 2.929 12.566) 13.013 2.360 ( 7.574 -13.118 8.941) 17.589 2.586 ( -13.505 23.391 -7.660) 28.074 3.384 ( -0.630 1.090 -6.863) 6.978 3.419 ( -4.963 8.596 4.787) 11.020 4.483 ( 0.942 -1.632 -0.935) 2.104 5.000 ( 5.909 -10.235 2.642) 12.110 5.744 ( -2.443 4.231 -1.117) 5.012 5.782 ( -2.098 3.633 -2.842) 5.068 7.807 ( 3.025 -5.239 4.352) 7.452 7.979 ( 4.674 -8.096 -5.839) 11.022 8.608 ( 9.453 -16.373 -2.371) 19.054 9.068 ( 0.495 -0.857 0.278) 1.028 9.219 ( -0.275 0.476 2.991) 3.041 9.850 ( -14.254 24.689 -1.402) 28.543 14.906 ( 0.829 -1.435 0.944) 1.907 15.211 ( -6.973 12.078 -1.341) 14.011 15.835 ( -0.847 1.467 0.137) 1.699 16.047 ( -3.762 6.516 0.862) 7.574 16.250 ( -0.231 0.400 1.715) 1.776 16.619 ( -12.042 20.858 -0.529) 24.091 17.719 ( 1.431 -2.478 0.540) 2.912 19.049 ( 7.824 -13.551 0.598) 15.658 19.219 ( 0.951 -1.647 -1.653) 2.520 19.336 ( -0.567 0.981 -0.749) 1.358 19.366 ( -1.718 2.975 -0.255) 3.445 20.082 ( 3.530 -6.115 -1.139) 7.152======================= Grid point 569 (110/120) =======================q-point: ( 0.27 0.27 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( 5.678 9.835 -8.884) 14.419 2.861 ( -2.869 -4.969 -4.728) 7.435 3.118 ( 8.229 14.253 0.019) 16.458 3.535 ( 2.488 4.309 2.937) 5.777 3.834 ( 2.212 3.831 3.050) 5.373 3.985 ( -5.711 -9.892 6.919) 13.354 5.489 ( 7.930 13.734 5.293) 16.719 5.728 ( -1.738 -3.010 3.958) 5.267 6.353 ( -4.257 -7.373 -0.282) 8.518 6.698 ( -5.608 -9.714 -2.833) 11.569 7.030 ( -6.032 -10.448 -6.285) 13.603 8.204 ( 8.959 15.517 -0.223) 17.919 8.824 ( -3.150 -5.456 -4.265) 7.608 9.059 ( -4.616 -7.996 -0.225) 9.236 11.038 ( 3.242 5.615 0.294) 6.490 14.565 ( -2.711 -4.695 -0.146) 5.424 16.076 ( 3.172 5.494 0.194) 6.347 16.244 ( 5.761 9.978 0.488) 11.532 16.522 ( 0.208 0.361 0.741) 0.850 16.743 ( 5.938 10.285 -12.703) 17.389 17.331 ( -2.289 -3.965 1.839) 4.934 17.593 ( -9.778 -16.936 -1.788) 19.638 18.348 ( 7.345 12.722 -2.087) 14.837 18.805 ( -4.284 -7.420 -0.341) 8.574 19.466 ( 1.363 2.361 0.599) 2.791 19.546 ( -0.246 -0.426 0.053) 0.494 19.629 ( -1.381 -2.391 10.602) 10.956======================= Grid point 570 (111/120) =======================q-point: ( 0.36 0.27 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.403 ( -7.549 13.074 -8.270) 17.214 2.748 ( 7.756 -13.433 -6.577) 16.848 3.291 ( -14.664 25.398 0.844) 29.339 3.661 ( 0.086 -0.149 6.841) 6.843 3.805 ( 8.113 -14.052 3.920) 16.693 3.877 ( -0.385 0.667 2.981) 3.079 5.670 ( 1.305 -2.260 4.591) 5.281 5.745 ( -4.903 8.493 4.875) 10.952 6.104 ( 8.136 -14.092 3.551) 16.655 6.715 ( -2.350 4.070 -5.964) 7.593 6.888 ( 4.096 -7.095 -6.545) 10.485 8.477 ( -4.536 7.856 -4.473) 10.114 8.610 ( -8.239 14.271 0.047) 16.478 9.022 ( 11.778 -20.400 -1.278) 23.591 11.093 ( -1.646 2.852 0.143) 3.296 14.518 ( 1.740 -3.014 -0.080) 3.481 16.119 ( -5.045 8.738 0.188) 10.091 16.404 ( -0.778 1.348 0.871) 1.783 16.479 ( -0.141 0.245 0.318) 0.426 16.883 ( -1.796 3.110 -16.010) 16.408 17.332 ( 2.898 -5.019 0.123) 5.797 17.344 ( 2.302 -3.988 1.778) 4.936 18.517 ( -3.617 6.265 -1.153) 7.326 18.689 ( 3.045 -5.273 -0.748) 6.135 19.502 ( -0.764 1.323 0.547) 1.623 19.531 ( 0.267 -0.463 0.468) 0.711 19.604 ( 0.852 -1.476 11.401) 11.528======================= Grid point 576 (112/120) =======================q-point: (-0.18 0.27 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( 5.643 11.235 6.003) 13.932 2.162 ( -1.906 -10.074 7.088) 12.464 3.005 ( -11.436 14.728 -4.002) 19.071 3.389 ( -2.586 -5.162 -3.005) 6.509 3.595 ( -3.847 9.966 1.456) 10.782 4.437 ( 2.540 -1.745 -3.021) 4.316 4.896 ( -1.059 1.360 3.821) 4.192 5.848 ( -2.442 2.308 -2.227) 4.031 5.870 ( -5.993 5.361 -0.644) 8.066 7.649 ( 7.729 -9.362 3.375) 12.600 7.848 ( 3.885 -1.387 -5.026) 6.502 8.234 ( 10.481 -24.513 -2.745) 26.800 8.845 ( 22.644 9.688 1.442) 24.672 9.397 ( -19.081 -11.307 1.831) 22.255 10.297 ( -10.880 20.026 -0.293) 22.793 14.881 ( -1.360 -4.623 0.866) 4.896 15.450 ( -2.676 15.100 -0.856) 15.360 15.885 ( -5.556 0.394 -0.569) 5.599 16.146 ( -1.396 5.115 0.388) 5.316 16.298 ( -4.561 1.917 2.886) 5.728 17.122 ( -19.637 21.105 1.202) 28.853 17.651 ( 3.047 -3.556 0.392) 4.699 18.713 ( 13.209 -16.390 0.205) 21.051 19.162 ( 3.073 -2.632 -2.267) 4.638 19.364 ( -1.328 1.344 -1.291) 2.289 19.437 ( -2.580 3.125 0.107) 4.054 19.964 ( 4.401 -3.229 -2.863) 6.164======================= Grid point 588 (113/120) =======================q-point: (-0.27 0.36 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( 9.405 9.696 0.120) 13.509 2.217 ( -2.888 5.576 5.588) 8.406 3.204 ( -1.286 -0.740 1.425) 2.057 3.431 ( -9.716 -1.945 1.974) 10.103 3.730 ( -1.847 7.706 -4.935) 9.336 4.361 ( 3.862 -2.443 -3.579) 5.804 5.083 ( -12.768 10.497 2.174) 16.671 5.903 ( -2.860 -0.190 -2.735) 3.962 6.049 ( -7.169 6.692 0.052) 9.807 7.369 ( 12.257 -11.341 1.147) 16.738 7.759 ( 10.278 -20.715 -1.948) 23.206 7.845 ( 2.483 -1.672 -2.869) 4.146 8.552 ( 21.324 8.251 1.824) 22.937 9.593 ( -17.189 -12.536 1.648) 21.339 10.607 ( -5.417 14.555 0.826) 15.553 14.858 ( -3.317 -8.295 0.325) 8.939 15.545 ( 7.767 14.579 -0.364) 16.523 16.067 ( -12.159 2.581 -1.134) 12.481 16.208 ( -0.058 5.706 0.349) 5.717 16.447 ( -9.569 3.271 3.676) 10.760 17.549 ( 3.979 -4.432 0.592) 5.985 17.623 ( -16.741 11.784 8.349) 22.110 18.323 ( 12.989 -12.308 -5.349) 18.676 19.065 ( 4.685 -3.511 -2.764) 6.474 19.406 ( -1.720 1.701 -1.678) 2.944 19.503 ( -1.744 2.111 0.114) 2.741 19.874 ( 3.670 -0.863 -4.047) 5.531======================= Grid point 589 (114/120) =======================q-point: (-0.18 0.36 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 1.960 -3.395 4.356) 5.861 2.199 ( -10.302 17.844 5.367) 21.292 3.243 ( -5.573 9.653 0.362) 11.153 3.256 ( 4.261 -7.381 0.657) 8.548 3.758 ( -3.517 6.092 -4.176) 8.180 4.382 ( 2.235 -3.870 -5.449) 7.047 5.025 ( -6.695 11.597 2.332) 13.592 5.873 ( -0.277 0.480 -3.151) 3.199 6.019 ( -5.218 9.038 0.967) 10.481 7.427 ( 7.389 -12.798 2.153) 14.934 7.727 ( 15.259 -26.430 -3.321) 30.699 7.863 ( -1.654 2.864 -3.096) 4.530 8.944 ( 2.649 -4.588 1.545) 5.519 9.214 ( 0.995 -1.724 2.694) 3.349 10.640 ( -8.216 14.231 0.863) 16.455 14.783 ( 2.891 -5.008 0.592) 5.813 15.770 ( -8.337 14.441 -1.077) 16.709 15.896 ( -1.556 2.694 -0.403) 3.137 16.263 ( -3.509 6.078 1.601) 7.198 16.356 ( -2.555 4.425 3.689) 6.302 17.532 ( -10.439 18.081 7.713) 22.257 17.560 ( 3.173 -5.496 0.300) 6.353 18.374 ( 9.274 -16.063 -3.919) 18.958 19.089 ( 2.790 -4.833 -2.824) 6.255 19.399 ( -1.250 2.164 -1.892) 3.135 19.498 ( -1.613 2.793 0.197) 3.231 19.903 ( 1.640 -2.840 -5.610) 6.498======================= Grid point 600 (115/120) =======================q-point: (-0.36 0.45 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 7.332 11.849 -1.822) 14.053 2.300 ( 3.903 12.470 2.420) 13.288 3.137 ( -0.655 -10.084 6.826) 12.195 3.606 ( -5.614 5.557 -1.383) 8.019 3.828 ( -2.711 4.597 -4.613) 7.055 4.260 ( 3.710 -4.029 -1.470) 5.671 5.475 ( -17.927 11.490 -1.816) 21.370 5.942 ( -2.933 -2.295 -3.291) 4.970 6.204 ( -1.975 4.658 0.181) 5.063 7.054 ( 8.131 -11.429 -0.040) 14.026 7.334 ( 9.708 -21.890 -0.512) 23.952 7.907 ( -1.391 9.372 -0.691) 9.500 8.286 ( 17.523 5.657 1.624) 18.484 9.727 ( -13.736 -14.267 1.670) 19.875 10.778 ( -0.329 10.548 1.509) 10.660 14.833 ( -5.076 -10.968 -0.166) 12.087 15.531 ( 10.237 15.656 0.016) 18.706 16.219 ( -0.738 3.231 -1.392) 3.594 16.322 ( -7.024 4.721 0.026) 8.463 16.667 ( -11.154 2.850 4.178) 12.247 17.448 ( 1.669 -3.979 1.866) 4.701 17.710 ( 6.667 -11.962 14.138) 19.683 18.244 ( -6.638 8.102 -10.482) 14.818 18.937 ( 5.434 -4.068 -3.552) 7.661 19.454 ( -1.596 1.892 -1.667) 2.984 19.532 ( -0.074 0.718 -0.143) 0.736 19.821 ( 2.392 0.645 -4.651) 5.270======================= Grid point 601 (116/120) =======================q-point: (-0.27 0.45 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 2.379 7.641 3.359) 8.679 2.531 ( -2.060 22.998 2.920) 23.274 3.079 ( 5.764 -8.964 3.682) 11.275 3.461 ( -12.526 3.118 2.233) 13.100 3.850 ( -1.467 4.810 -6.216) 7.995 4.279 ( 4.196 -6.151 -5.220) 9.093 5.325 ( -12.756 13.489 -1.861) 18.658 5.875 ( -1.189 -2.195 -4.371) 5.033 6.203 ( -5.172 8.279 1.803) 9.926 7.123 ( 14.482 -14.712 -0.188) 20.645 7.241 ( 7.583 -24.739 -1.535) 25.920 7.965 ( -3.253 9.081 -0.980) 9.696 8.704 ( 21.095 6.245 2.620) 22.156 9.297 ( -15.814 -16.069 2.495) 22.683 10.859 ( -3.283 10.424 1.818) 11.079 14.692 ( 0.089 -7.736 -0.039) 7.737 15.857 ( 8.593 15.343 -0.215) 17.587 16.125 ( -13.560 3.896 -1.021) 14.146 16.351 ( 1.495 8.395 2.592) 8.912 16.502 ( -10.228 2.047 4.259) 11.267 17.442 ( 3.378 -6.098 0.904) 7.030 17.681 ( 2.790 -7.906 16.888) 18.854 18.232 ( -3.071 5.307 -12.138) 13.598 18.974 ( 4.388 -5.728 -3.310) 7.939 19.447 ( -1.593 2.390 -2.157) 3.592 19.539 ( -0.530 1.407 -0.083) 1.506 19.855 ( 1.652 -1.085 -7.168) 7.436======================= Grid point 610 (117/120) =======================q-point: (-0.45 0.55 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 7.512 13.011 -2.450) 15.222 2.329 ( 7.772 13.462 1.006) 15.577 3.086 ( -5.752 -9.962 9.386) 14.846 3.686 ( 3.454 5.982 -7.091) 9.899 3.888 ( 0.768 1.329 -2.203) 2.685 4.194 ( -1.900 -3.291 1.351) 4.033 5.770 ( -0.050 -0.087 -4.703) 4.704 5.951 ( -2.489 -4.312 -4.364) 6.620 6.183 ( 2.188 3.790 1.389) 4.591 6.973 ( -5.503 -9.531 -1.860) 11.162 7.077 ( -4.425 -7.664 2.480) 9.190 8.041 ( 6.519 11.291 0.622) 13.053 8.089 ( 3.791 6.566 0.911) 7.636 9.775 ( -9.578 -16.589 1.692) 19.230 10.833 ( 4.360 7.551 1.725) 8.889 14.821 ( -6.595 -11.424 -0.350) 13.195 15.520 ( 9.784 16.946 0.148) 19.568 16.237 ( 1.907 3.303 -1.214) 4.002 16.418 ( -0.054 -0.094 -0.362) 0.378 16.801 ( -1.760 -3.049 3.975) 5.310 17.472 ( -2.264 -3.921 6.517) 7.935 17.480 ( -2.488 -4.309 5.981) 7.780 18.389 ( 1.557 2.696 -5.213) 6.072 18.848 ( -0.474 -0.822 -4.553) 4.651 19.484 ( 0.533 0.923 -1.587) 1.911 19.530 ( 0.165 0.285 -0.286) 0.436 19.804 ( 0.951 1.647 -4.840) 5.201======================= Grid point 612 (118/120) =======================q-point: (-0.36 0.55 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 545Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( 5.064 13.111 2.138) 14.216 2.711 ( 8.213 25.555 1.793) 26.903 2.907 ( 1.413 -11.182 6.438) 12.980 3.711 ( -9.344 4.498 -2.451) 10.656 3.909 ( -0.513 3.581 -4.956) 6.136 4.125 ( 2.921 -10.163 -1.695) 10.710 5.682 ( -12.695 9.552 -5.704) 16.880 5.869 ( -1.437 -4.261 -5.614) 7.193 6.280 ( 4.353 1.348 1.801) 4.900 6.784 ( 0.424 -14.468 -3.150) 14.813 6.974 ( 3.023 -12.882 2.612) 13.487 8.149 ( -4.395 14.268 1.264) 14.983 8.410 ( 19.689 6.416 2.391) 20.846 9.379 ( -14.017 -19.813 2.602) 24.410 10.963 ( 1.348 7.514 2.318) 7.978 14.636 ( -2.976 -8.209 -0.429) 8.742 15.858 ( 9.261 16.099 0.120) 18.573 16.316 ( -1.578 6.169 0.611) 6.397 16.400 ( -0.864 3.072 0.556) 3.239 16.690 ( -8.466 -0.756 5.345) 10.040 17.359 ( -1.634 -4.692 3.541) 6.101 17.460 ( 5.580 -11.876 9.788) 16.370 18.415 ( -4.443 8.353 -6.498) 11.477 18.841 ( 3.162 -5.488 -4.170) 7.583 19.494 ( -0.946 2.057 -1.996) 3.018 19.544 ( 0.781 0.415 -0.572) 1.053 19.827 ( 0.825 -0.013 -7.775) 7.819======================= Grid point 613 (119/120) =======================q-point: (-0.27 0.55 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.128 ( -5.707 9.885 4.496) 12.268 2.756 ( 4.390 -7.604 5.332) 10.272 3.115 ( -9.659 16.730 0.292) 19.320 3.545 ( -3.980 6.894 1.534) 8.107 3.929 ( -1.790 3.100 -5.593) 6.641 4.105 ( 6.773 -11.730 -4.411) 14.245 5.610 ( -8.763 15.177 -5.701) 18.429 5.832 ( 0.989 -1.713 -5.824) 6.151 6.326 ( -0.316 0.547 1.950) 2.050 6.719 ( 9.755 -16.895 -4.562) 20.035 6.933 ( 6.322 -10.950 2.820) 12.955 8.183 ( -7.259 12.573 1.459) 14.592 8.743 ( 2.823 -4.889 3.339) 6.559 9.028 ( 4.640 -8.037 2.669) 9.656 11.013 ( -2.990 5.178 2.566) 6.507 14.569 ( 2.575 -4.459 -0.452) 5.169 16.073 ( -3.047 5.278 0.486) 6.114 16.260 ( -5.728 9.922 -1.101) 11.509 16.506 ( -0.887 1.537 2.384) 2.972 16.537 ( -3.556 6.159 6.291) 9.495 17.323 ( 3.016 -5.225 2.333) 6.468 17.446 ( 7.081 -12.264 11.393) 18.176 18.416 ( -6.023 10.432 -7.307) 14.089 18.842 ( 4.224 -7.317 -3.740) 9.239 19.496 ( -1.358 2.351 -2.176) 3.479 19.554 ( -0.054 0.093 -0.649) 0.658 19.834 ( 0.515 -0.892 -8.850) 8.910======================= Grid point 624 (120/120) =======================q-point: (-0.36 0.64 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.61e-05 6.61e-05 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( 7.440 12.887 4.401) 15.518 2.616 ( -7.617 -13.192 6.104) 16.411 3.299 ( 15.487 26.823 0.084) 30.973 3.760 ( -1.514 -2.622 -2.732) 4.078 3.853 ( -8.044 -13.932 -0.747) 16.105 3.962 ( 0.851 1.474 -4.995) 5.277 5.795 ( -1.035 -1.792 -7.007) 7.306 5.869 ( 4.801 8.315 -6.657) 11.684 6.178 ( -5.637 -9.764 -2.907) 11.644 6.646 ( 0.492 0.853 -0.016) 0.985 6.785 ( -3.908 -6.768 3.012) 8.376 8.387 ( 3.545 6.141 3.770) 8.030 8.585 ( 7.940 13.753 2.268) 16.041 8.979 ( -11.273 -19.525 2.864) 22.727 11.064 ( 1.502 2.601 2.836) 4.131 14.523 ( -1.704 -2.951 -0.607) 3.461 16.116 ( 4.730 8.193 0.506) 9.474 16.421 ( 1.074 1.861 -0.660) 2.248 16.458 ( 2.578 4.466 2.044) 5.547 16.635 ( -2.341 -4.055 7.352) 8.717 17.280 ( -2.158 -3.738 5.118) 6.695 17.287 ( -2.073 -3.590 6.733) 7.906 18.562 ( 3.508 6.075 -5.107) 8.677 18.729 ( -3.052 -5.286 -4.383) 7.514 19.528 ( 0.649 1.124 -1.857) 2.266 19.548 ( -0.024 -0.041 -1.175) 1.176 19.824 ( -0.100 -0.174 -9.371) 9.373=================== 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 3/29403 10.0 2297.042 2297.042 1194.304 0.000 -0.000 -0.000 3/29403 20.0 499.419 499.419 334.769 -0.000 -0.000 -0.000 3/29403 30.0 206.973 206.973 110.249 -0.000 -0.000 -0.000 3/29403 40.0 127.322 127.322 57.911 -0.000 -0.000 -0.000 3/29403 50.0 90.340 90.340 37.655 -0.000 -0.000 -0.000 3/29403 60.0 69.402 69.402 27.457 -0.000 -0.000 -0.000 3/29403 70.0 56.317 56.317 21.494 -0.000 -0.000 -0.000 3/29403 80.0 47.528 47.528 17.643 -0.000 -0.000 -0.000 3/29403 90.0 41.256 41.256 14.972 -0.000 -0.000 -0.000 3/29403 100.0 36.543 36.543 13.015 -0.000 -0.000 -0.000 3/29403 110.0 32.848 32.848 11.521 -0.000 -0.000 -0.000 3/29403 120.0 29.853 29.853 10.342 -0.000 -0.000 -0.000 3/29403 130.0 27.363 27.363 9.388 -0.000 -0.000 -0.000 3/29403 140.0 25.254 25.254 8.598 -0.000 -0.000 -0.000 3/29403 150.0 23.440 23.440 7.934 -0.000 -0.000 -0.000 3/29403 160.0 21.863 21.863 7.368 -0.000 -0.000 -0.000 3/29403 170.0 20.480 20.480 6.879 -0.000 -0.000 -0.000 3/29403 180.0 19.256 19.256 6.453 -0.000 -0.000 -0.000 3/29403 190.0 18.166 18.166 6.078 -0.000 -0.000 -0.000 3/29403 200.0 17.190 17.190 5.745 -0.000 -0.000 -0.000 3/29403 210.0 16.312 16.312 5.448 -0.000 -0.000 -0.000 3/29403 220.0 15.517 15.517 5.182 -0.000 -0.000 -0.000 3/29403 230.0 14.795 14.795 4.940 -0.000 -0.000 -0.000 3/29403 240.0 14.137 14.137 4.721 -0.000 -0.000 -0.000 3/29403 250.0 13.535 13.535 4.521 -0.000 -0.000 -0.000 3/29403 260.0 12.981 12.981 4.338 -0.000 -0.000 -0.000 3/29403 270.0 12.471 12.471 4.170 -0.000 -0.000 -0.000 3/29403 280.0 12.000 12.000 4.014 -0.000 -0.000 -0.000 3/29403 290.0 11.562 11.562 3.870 -0.000 -0.000 -0.000 3/29403 300.0 11.156 11.156 3.736 -0.000 -0.000 -0.000 3/29403 310.0 10.777 10.777 3.612 -0.000 -0.000 -0.000 3/29403 320.0 10.424 10.424 3.495 -0.000 -0.000 -0.000 3/29403 330.0 10.093 10.093 3.386 -0.000 -0.000 -0.000 3/29403 340.0 9.782 9.782 3.284 -0.000 -0.000 -0.000 3/29403 350.0 9.491 9.491 3.188 -0.000 -0.000 -0.000 3/29403 360.0 9.216 9.216 3.097 -0.000 -0.000 -0.000 3/29403 370.0 8.957 8.957 3.012 -0.000 -0.000 -0.000 3/29403 380.0 8.712 8.712 2.931 -0.000 -0.000 -0.000 3/29403 390.0 8.480 8.480 2.855 -0.000 -0.000 -0.000 3/29403 400.0 8.261 8.261 2.782 -0.000 -0.000 -0.000 3/29403 410.0 8.052 8.052 2.713 -0.000 -0.000 -0.000 3/29403 420.0 7.854 7.854 2.648 -0.000 -0.000 -0.000 3/29403 430.0 7.666 7.666 2.585 -0.000 -0.000 -0.000 3/29403 440.0 7.486 7.486 2.526 -0.000 -0.000 -0.000 3/29403 450.0 7.315 7.315 2.469 -0.000 -0.000 -0.000 3/29403 460.0 7.152 7.152 2.415 -0.000 -0.000 -0.000 3/29403 470.0 6.996 6.996 2.363 -0.000 -0.000 -0.000 3/29403 480.0 6.846 6.846 2.313 -0.000 -0.000 -0.000 3/29403 490.0 6.703 6.703 2.266 -0.000 -0.000 -0.000 3/29403 500.0 6.566 6.566 2.220 -0.000 -0.000 -0.000 3/29403 510.0 6.434 6.434 2.176 -0.000 -0.000 -0.000 3/29403 520.0 6.307 6.307 2.134 -0.000 -0.000 -0.000 3/29403 530.0 6.186 6.186 2.093 -0.000 -0.000 -0.000 3/29403 540.0 6.069 6.069 2.054 -0.000 -0.000 -0.000 3/29403 550.0 5.956 5.956 2.017 -0.000 -0.000 -0.000 3/29403 560.0 5.848 5.848 1.980 -0.000 -0.000 -0.000 3/29403 570.0 5.743 5.743 1.946 -0.000 -0.000 -0.000 3/29403 580.0 5.643 5.643 1.912 -0.000 -0.000 -0.000 3/29403 590.0 5.545 5.545 1.879 -0.000 -0.000 -0.000 3/29403 600.0 5.451 5.451 1.848 -0.000 -0.000 -0.000 3/29403 610.0 5.360 5.360 1.817 -0.000 -0.000 -0.000 3/29403 620.0 5.273 5.273 1.788 -0.000 -0.000 -0.000 3/29403 630.0 5.188 5.188 1.759 -0.000 -0.000 -0.000 3/29403 640.0 5.105 5.105 1.732 -0.000 -0.000 -0.000 3/29403 650.0 5.026 5.026 1.705 -0.000 -0.000 -0.000 3/29403 660.0 4.949 4.949 1.679 -0.000 -0.000 -0.000 3/29403 670.0 4.874 4.874 1.654 -0.000 -0.000 -0.000 3/29403 680.0 4.801 4.801 1.630 -0.000 -0.000 -0.000 3/29403 690.0 4.731 4.731 1.606 -0.000 -0.000 -0.000 3/29403 700.0 4.662 4.662 1.583 -0.000 -0.000 -0.000 3/29403 710.0 4.596 4.596 1.561 -0.000 -0.000 -0.000 3/29403 720.0 4.531 4.531 1.539 -0.000 -0.000 -0.000 3/29403 730.0 4.468 4.468 1.518 -0.000 -0.000 -0.000 3/29403 740.0 4.407 4.407 1.497 -0.000 -0.000 -0.000 3/29403 750.0 4.348 4.348 1.477 -0.000 -0.000 -0.000 3/29403 760.0 4.290 4.290 1.458 -0.000 -0.000 -0.000 3/29403 770.0 4.234 4.234 1.439 -0.000 -0.000 -0.000 3/29403 780.0 4.179 4.179 1.420 -0.000 -0.000 -0.000 3/29403 790.0 4.126 4.126 1.402 -0.000 -0.000 -0.000 3/29403 800.0 4.074 4.074 1.385 -0.000 -0.000 -0.000 3/29403 810.0 4.023 4.023 1.368 -0.000 -0.000 -0.000 3/29403 820.0 3.973 3.973 1.351 -0.000 -0.000 -0.000 3/29403 830.0 3.925 3.925 1.335 -0.000 -0.000 -0.000 3/29403 840.0 3.878 3.878 1.319 -0.000 -0.000 -0.000 3/29403 850.0 3.832 3.832 1.303 -0.000 -0.000 -0.000 3/29403 860.0 3.787 3.787 1.288 -0.000 -0.000 -0.000 3/29403 870.0 3.743 3.743 1.273 -0.000 -0.000 -0.000 3/29403 880.0 3.700 3.700 1.259 -0.000 -0.000 -0.000 3/29403 890.0 3.658 3.658 1.245 -0.000 -0.000 -0.000 3/29403 900.0 3.618 3.618 1.231 -0.000 -0.000 -0.000 3/29403 910.0 3.578 3.578 1.217 -0.000 -0.000 -0.000 3/29403 920.0 3.538 3.538 1.204 -0.000 -0.000 -0.000 3/29403 930.0 3.500 3.500 1.191 -0.000 -0.000 -0.000 3/29403 940.0 3.463 3.463 1.178 -0.000 -0.000 -0.000 3/29403 950.0 3.426 3.426 1.166 -0.000 -0.000 -0.000 3/29403 960.0 3.390 3.390 1.154 -0.000 -0.000 -0.000 3/29403 970.0 3.355 3.355 1.142 -0.000 -0.000 -0.000 3/29403 980.0 3.320 3.320 1.130 -0.000 -0.000 -0.000 3/29403 990.0 3.287 3.287 1.119 -0.000 -0.000 -0.000 3/29403 1000.0 3.254 3.254 1.108 -0.000 -0.000 -0.000 3/29403Thermal conductivity related properties were written into "kappa-m11119.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:14:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|