# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/a4d74e07-7982-4f37-9fc4-37b57c979d57/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 PrOF / R-3m (166) / materials id 769173](https://mdr.nims.go.jp/datasets/643de873-99b9-43dd-94a5-3b094c68fc0a) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 01:26:04]-------------------------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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a 1.986374623646333 1.146833923673650 6.596310029999993 b -1.986374623646330 1.146833923673650 6.596310029999993 c 0.000000000000002 -2.293667847347303 6.596310029999993Atomic positions (fractional): *1 Pr 0.75804411522495 0.75804411522495 0.75804411522495 140.908 2 Pr 0.24195588477505 0.24195588477505 0.24195588477505 140.908 *3 O 0.87806494505738 0.87806494505738 0.87806494505738 15.999 4 O 0.12193505494262 0.12193505494262 0.12193505494262 15.999 *5 F 0.62989501438907 0.62989501438908 0.62989501438907 18.998 6 F 0.37010498561093 0.37010498561093 0.37010498561093 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.972749247292663 0.000000000000000 0.000000000000000 b -1.986374623646332 3.440501771020953 0.000000000000000 c 0.000000000000000 0.000000000000000 19.788930090000001Atomic positions (fractional): *1 Pr 0.66666666666667 0.33333333333333 0.09137744855828 140.908 > 1 2 Pr 0.00000000000000 0.00000000000000 0.24195588477505 140.908 > 2 3 Pr 0.33333333333333 0.66666666666667 0.42471078189161 140.908 > 1 4 Pr 0.66666666666667 0.33333333333333 0.57528921810838 140.908 > 2 5 Pr 0.00000000000000 0.00000000000000 0.75804411522495 140.908 > 1 6 Pr 0.33333333333333 0.66666666666667 0.90862255144172 140.908 > 2 *7 O 0.66666666666667 0.33333333333333 0.21139827839072 15.999 > 3 8 O 0.00000000000000 0.00000000000000 0.12193505494262 15.999 > 4 9 O 0.33333333333333 0.66666666666667 0.54473161172405 15.999 > 3 10 O 0.66666666666667 0.33333333333333 0.45526838827595 15.999 > 4 11 O 0.00000000000000 0.00000000000000 0.87806494505738 15.999 > 3 12 O 0.33333333333333 0.66666666666667 0.78860172160928 15.999 > 4 *13 F 0.33333333333333 0.66666666666667 0.29656168105574 18.998 > 5 14 F 0.33333333333333 0.66666666666667 0.03677165227759 18.998 > 6 15 F 0.00000000000000 0.00000000000000 0.62989501438907 18.998 > 5 16 F 0.00000000000000 0.00000000000000 0.37010498561093 18.998 > 6 17 F 0.66666666666667 0.33333333333333 0.96322834772241 18.998 > 5 18 F 0.66666666666667 0.33333333333333 0.70343831894426 18.998 > 6-------------------------------- super cell --------------------------------Lattice vectors: a 7.945498494585326 0.000000000000000 0.000000000000000 b -3.972749247292664 6.881003542041906 0.000000000000000 c 0.000000000000000 0.000000000000000 19.788930090000001Atomic positions (fractional): *1 Pr 0.33333333333333 0.16666666666667 0.09137744855828 140.908 > 1 2 Pr 0.83333333333333 0.16666666666667 0.09137744855828 140.908 > 1 3 Pr 0.33333333333333 0.66666666666667 0.09137744855828 140.908 > 1 4 Pr 0.83333333333333 0.66666666666667 0.09137744855828 140.908 > 1 5 Pr 0.00000000000000 0.00000000000000 0.24195588477505 140.908 > 2 6 Pr 0.50000000000000 0.00000000000000 0.24195588477505 140.908 > 2 7 Pr 0.00000000000000 0.50000000000000 0.24195588477505 140.908 > 2 8 Pr 0.50000000000000 0.50000000000000 0.24195588477505 140.908 > 2 9 Pr 0.16666666666667 0.33333333333333 0.42471078189161 140.908 > 1 10 Pr 0.66666666666667 0.33333333333333 0.42471078189161 140.908 > 1 11 Pr 0.16666666666667 0.83333333333333 0.42471078189161 140.908 > 1 12 Pr 0.66666666666667 0.83333333333333 0.42471078189161 140.908 > 1 13 Pr 0.33333333333333 0.16666666666667 0.57528921810838 140.908 > 2 14 Pr 0.83333333333333 0.16666666666667 0.57528921810838 140.908 > 2 15 Pr 0.33333333333333 0.66666666666667 0.57528921810838 140.908 > 2 16 Pr 0.83333333333333 0.66666666666667 0.57528921810838 140.908 > 2 17 Pr 0.00000000000000 0.00000000000000 0.75804411522495 140.908 > 1 18 Pr 0.50000000000000 0.00000000000000 0.75804411522495 140.908 > 1 19 Pr 0.00000000000000 0.50000000000000 0.75804411522495 140.908 > 1 20 Pr 0.50000000000000 0.50000000000000 0.75804411522495 140.908 > 1 21 Pr 0.16666666666667 0.33333333333333 0.90862255144172 140.908 > 2 22 Pr 0.66666666666667 0.33333333333333 0.90862255144172 140.908 > 2 23 Pr 0.16666666666667 0.83333333333333 0.90862255144172 140.908 > 2 24 Pr 0.66666666666667 0.83333333333333 0.90862255144172 140.908 > 2 *25 O 0.33333333333333 0.16666666666667 0.21139827839072 15.999 > 3 26 O 0.83333333333333 0.16666666666667 0.21139827839072 15.999 > 3 27 O 0.33333333333333 0.66666666666667 0.21139827839072 15.999 > 3 28 O 0.83333333333333 0.66666666666667 0.21139827839072 15.999 > 3 29 O 0.00000000000000 0.00000000000000 0.12193505494262 15.999 > 4 30 O 0.50000000000000 0.00000000000000 0.12193505494262 15.999 > 4 31 O 0.00000000000000 0.50000000000000 0.12193505494262 15.999 > 4 32 O 0.50000000000000 0.50000000000000 0.12193505494262 15.999 > 4 33 O 0.16666666666667 0.33333333333333 0.54473161172405 15.999 > 3 34 O 0.66666666666667 0.33333333333333 0.54473161172405 15.999 > 3 35 O 0.16666666666667 0.83333333333333 0.54473161172405 15.999 > 3 36 O 0.66666666666667 0.83333333333333 0.54473161172405 15.999 > 3 37 O 0.33333333333333 0.16666666666667 0.45526838827595 15.999 > 4 38 O 0.83333333333333 0.16666666666667 0.45526838827595 15.999 > 4 39 O 0.33333333333333 0.66666666666667 0.45526838827595 15.999 > 4 40 O 0.83333333333333 0.66666666666667 0.45526838827595 15.999 > 4 41 O 0.00000000000000 0.00000000000000 0.87806494505738 15.999 > 3 42 O 0.50000000000000 0.00000000000000 0.87806494505738 15.999 > 3 43 O 0.00000000000000 0.50000000000000 0.87806494505738 15.999 > 3 44 O 0.50000000000000 0.50000000000000 0.87806494505738 15.999 > 3 45 O 0.16666666666667 0.33333333333333 0.78860172160928 15.999 > 4 46 O 0.66666666666667 0.33333333333333 0.78860172160928 15.999 > 4 47 O 0.16666666666667 0.83333333333333 0.78860172160928 15.999 > 4 48 O 0.66666666666667 0.83333333333333 0.78860172160928 15.999 > 4 *49 F 0.16666666666667 0.33333333333333 0.29656168105574 18.998 > 5 50 F 0.66666666666667 0.33333333333333 0.29656168105574 18.998 > 5 51 F 0.16666666666667 0.83333333333333 0.29656168105574 18.998 > 5 52 F 0.66666666666667 0.83333333333333 0.29656168105574 18.998 > 5 53 F 0.16666666666667 0.33333333333333 0.03677165227759 18.998 > 6 54 F 0.66666666666667 0.33333333333333 0.03677165227759 18.998 > 6 55 F 0.16666666666667 0.83333333333333 0.03677165227759 18.998 > 6 56 F 0.66666666666667 0.83333333333333 0.03677165227759 18.998 > 6 57 F 0.00000000000000 0.00000000000000 0.62989501438907 18.998 > 5 58 F 0.50000000000000 0.00000000000000 0.62989501438907 18.998 > 5 59 F 0.00000000000000 0.50000000000000 0.62989501438907 18.998 > 5 60 F 0.50000000000000 0.50000000000000 0.62989501438907 18.998 > 5 61 F 0.00000000000000 0.00000000000000 0.37010498561093 18.998 > 6 62 F 0.50000000000000 0.00000000000000 0.37010498561093 18.998 > 6 63 F 0.00000000000000 0.50000000000000 0.37010498561093 18.998 > 6 64 F 0.50000000000000 0.50000000000000 0.37010498561093 18.998 > 6 65 F 0.33333333333333 0.16666666666667 0.96322834772241 18.998 > 5 66 F 0.83333333333333 0.16666666666667 0.96322834772241 18.998 > 5 67 F 0.33333333333333 0.66666666666667 0.96322834772241 18.998 > 5 68 F 0.83333333333333 0.66666666666667 0.96322834772241 18.998 > 5 69 F 0.33333333333333 0.16666666666667 0.70343831894426 18.998 > 6 70 F 0.83333333333333 0.16666666666667 0.70343831894426 18.998 > 6 71 F 0.33333333333333 0.66666666666667 0.70343831894426 18.998 > 6 72 F 0.83333333333333 0.66666666666667 0.70343831894426 18.998 > 6----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7318227 0.0000000 0.0000000 0.0000000 3.7318227 0.0000000 0.0000000 0.0000000 3.4261460-------------------------- Born effective charges -------------------------- 1 Pr 3.9699056 0.0000000 0.0000000 0.0000000 3.9699056 0.0000000 0.0000000 0.0000000 3.6937453 2 Pr 3.9699056 0.0000000 0.0000000 0.0000000 3.9699056 0.0000000 0.0000000 0.0000000 3.6937453 3 O -2.5516149 -0.0000000 0.0000000 0.0000000 -2.5516149 0.0000000 0.0000000 0.0000000 -1.9244309 4 O -2.5516149 -0.0000000 0.0000000 0.0000000 -2.5516149 0.0000000 0.0000000 0.0000000 -1.9244309 5 F -1.4182907 -0.0000000 0.0000000 0.0000000 -1.4182907 0.0000000 0.0000000 0.0000000 -1.7693143 6 F -1.4182907 -0.0000000 0.0000000 0.0000000 -1.4182907 0.0000000 0.0000000 0.0000000 -1.7693143----------------------------------------------------------------------------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: 2448/2448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 219Number of blocks in projector: 294Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 99Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (219, 213), data: False|-- (54, 54), data: True|-- (66, 63), data: True|-- (99, 96), data: True-----Solver_atoms: 1 -- 72 / 72Time (Solver_compr_matrix_reshape): 0.003Solver_block: 80 / 80 - Time: 0.083Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.087--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 216/216Permutation basis: 2448/2448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 219Number of blocks in projector: 294Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 99Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (219, 213), data: False|-- (54, 54), data: True|-- (66, 63), data: True|-- (99, 96), 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 2026-01-09 01:26:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 01:26:07]-------------------------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 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.986374623646333 1.146833923673650 6.596310029999993 b -1.986374623646330 1.146833923673650 6.596310029999993 c 0.000000000000002 -2.293667847347303 6.596310029999993Atomic positions (fractional): 1 Pr 0.75804411522495 0.75804411522495 0.75804411522495 140.908 2 Pr 0.24195588477505 0.24195588477505 0.24195588477505 140.908 3 O 0.87806494505738 0.87806494505738 0.87806494505738 15.999 4 O 0.12193505494262 0.12193505494262 0.12193505494262 15.999 5 F 0.62989501438907 0.62989501438908 0.62989501438907 18.998 6 F 0.37010498561093 0.37010498561093 0.37010498561093 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 7.945498494585326 0.000000000000000 0.000000000000000 b -3.972749247292664 6.881003542041906 0.000000000000000 c 0.000000000000000 0.000000000000000 19.788930090000001Atomic positions (fractional): 1 Pr 0.33333333333333 0.16666666666667 0.09137744855828 140.908 > 1 2 Pr 0.83333333333333 0.16666666666667 0.09137744855828 140.908 > 1 3 Pr 0.33333333333333 0.66666666666667 0.09137744855828 140.908 > 1 4 Pr 0.83333333333333 0.66666666666667 0.09137744855828 140.908 > 1 5 Pr 0.00000000000000 0.00000000000000 0.24195588477505 140.908 > 5 6 Pr 0.50000000000000 0.00000000000000 0.24195588477505 140.908 > 5 7 Pr 0.00000000000000 0.50000000000000 0.24195588477505 140.908 > 5 8 Pr 0.50000000000000 0.50000000000000 0.24195588477505 140.908 > 5 9 Pr 0.16666666666667 0.33333333333333 0.42471078189161 140.908 > 1 10 Pr 0.66666666666667 0.33333333333333 0.42471078189161 140.908 > 1 11 Pr 0.16666666666667 0.83333333333333 0.42471078189161 140.908 > 1 12 Pr 0.66666666666667 0.83333333333333 0.42471078189161 140.908 > 1 13 Pr 0.33333333333333 0.16666666666667 0.57528921810838 140.908 > 5 14 Pr 0.83333333333333 0.16666666666667 0.57528921810838 140.908 > 5 15 Pr 0.33333333333333 0.66666666666667 0.57528921810838 140.908 > 5 16 Pr 0.83333333333333 0.66666666666667 0.57528921810838 140.908 > 5 17 Pr 0.00000000000000 0.00000000000000 0.75804411522495 140.908 > 1 18 Pr 0.50000000000000 0.00000000000000 0.75804411522495 140.908 > 1 19 Pr 0.00000000000000 0.50000000000000 0.75804411522495 140.908 > 1 20 Pr 0.50000000000000 0.50000000000000 0.75804411522495 140.908 > 1 21 Pr 0.16666666666667 0.33333333333333 0.90862255144172 140.908 > 5 22 Pr 0.66666666666667 0.33333333333333 0.90862255144172 140.908 > 5 23 Pr 0.16666666666667 0.83333333333333 0.90862255144172 140.908 > 5 24 Pr 0.66666666666667 0.83333333333333 0.90862255144172 140.908 > 5 25 O 0.33333333333333 0.16666666666667 0.21139827839072 15.999 > 25 26 O 0.83333333333333 0.16666666666667 0.21139827839072 15.999 > 25 27 O 0.33333333333333 0.66666666666667 0.21139827839072 15.999 > 25 28 O 0.83333333333333 0.66666666666667 0.21139827839072 15.999 > 25 29 O 0.00000000000000 0.00000000000000 0.12193505494262 15.999 > 29 30 O 0.50000000000000 0.00000000000000 0.12193505494262 15.999 > 29 31 O 0.00000000000000 0.50000000000000 0.12193505494262 15.999 > 29 32 O 0.50000000000000 0.50000000000000 0.12193505494262 15.999 > 29 33 O 0.16666666666667 0.33333333333333 0.54473161172405 15.999 > 25 34 O 0.66666666666667 0.33333333333333 0.54473161172405 15.999 > 25 35 O 0.16666666666667 0.83333333333333 0.54473161172405 15.999 > 25 36 O 0.66666666666667 0.83333333333333 0.54473161172405 15.999 > 25 37 O 0.33333333333333 0.16666666666667 0.45526838827595 15.999 > 29 38 O 0.83333333333333 0.16666666666667 0.45526838827595 15.999 > 29 39 O 0.33333333333333 0.66666666666667 0.45526838827595 15.999 > 29 40 O 0.83333333333333 0.66666666666667 0.45526838827595 15.999 > 29 41 O 0.00000000000000 0.00000000000000 0.87806494505738 15.999 > 25 42 O 0.50000000000000 0.00000000000000 0.87806494505738 15.999 > 25 43 O 0.00000000000000 0.50000000000000 0.87806494505738 15.999 > 25 44 O 0.50000000000000 0.50000000000000 0.87806494505738 15.999 > 25 45 O 0.16666666666667 0.33333333333333 0.78860172160928 15.999 > 29 46 O 0.66666666666667 0.33333333333333 0.78860172160928 15.999 > 29 47 O 0.16666666666667 0.83333333333333 0.78860172160928 15.999 > 29 48 O 0.66666666666667 0.83333333333333 0.78860172160928 15.999 > 29 49 F 0.16666666666667 0.33333333333333 0.29656168105574 18.998 > 49 50 F 0.66666666666667 0.33333333333333 0.29656168105574 18.998 > 49 51 F 0.16666666666667 0.83333333333333 0.29656168105574 18.998 > 49 52 F 0.66666666666667 0.83333333333333 0.29656168105574 18.998 > 49 53 F 0.16666666666667 0.33333333333333 0.03677165227759 18.998 > 53 54 F 0.66666666666667 0.33333333333333 0.03677165227759 18.998 > 53 55 F 0.16666666666667 0.83333333333333 0.03677165227759 18.998 > 53 56 F 0.66666666666667 0.83333333333333 0.03677165227759 18.998 > 53 57 F 0.00000000000000 0.00000000000000 0.62989501438907 18.998 > 49 58 F 0.50000000000000 0.00000000000000 0.62989501438907 18.998 > 49 59 F 0.00000000000000 0.50000000000000 0.62989501438907 18.998 > 49 60 F 0.50000000000000 0.50000000000000 0.62989501438907 18.998 > 49 61 F 0.00000000000000 0.00000000000000 0.37010498561093 18.998 > 53 62 F 0.50000000000000 0.00000000000000 0.37010498561093 18.998 > 53 63 F 0.00000000000000 0.50000000000000 0.37010498561093 18.998 > 53 64 F 0.50000000000000 0.50000000000000 0.37010498561093 18.998 > 53 65 F 0.33333333333333 0.16666666666667 0.96322834772241 18.998 > 49 66 F 0.83333333333333 0.16666666666667 0.96322834772241 18.998 > 49 67 F 0.33333333333333 0.66666666666667 0.96322834772241 18.998 > 49 68 F 0.83333333333333 0.66666666666667 0.96322834772241 18.998 > 49 69 F 0.33333333333333 0.16666666666667 0.70343831894426 18.998 > 53 70 F 0.83333333333333 0.16666666666667 0.70343831894426 18.998 > 53 71 F 0.33333333333333 0.66666666666667 0.70343831894426 18.998 > 53 72 F 0.83333333333333 0.66666666666667 0.70343831894426 18.998 > 53----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7318227 0.0000000 0.0000000 0.0000000 3.7318227 0.0000000 0.0000000 0.0000000 3.4261460-------------------------- Born effective charges -------------------------- 1 Pr 3.9699056 0.0000000 0.0000000 0.0000000 3.9699056 0.0000000 0.0000000 0.0000000 3.6937453 2 Pr 3.9699056 0.0000000 0.0000000 0.0000000 3.9699056 0.0000000 0.0000000 0.0000000 3.6937453 3 O -2.5516149 -0.0000000 0.0000000 0.0000000 -2.5516149 0.0000000 0.0000000 0.0000000 -1.9244309 4 O -2.5516149 -0.0000000 0.0000000 0.0000000 -2.5516149 0.0000000 0.0000000 0.0000000 -1.9244309 5 F -1.4182907 -0.0000000 0.0000000 0.0000000 -1.4182907 0.0000000 0.0000000 0.0000000 -1.7693143 6 F -1.4182907 -0.0000000 0.0000000 0.0000000 -1.4182907 0.0000000 0.0000000 0.0000000 -1.7693143----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, 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[ 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]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 01:26:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 01:26:10]-------------------------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 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.986374623646333 1.146833923673650 6.596310029999993 b -1.986374623646330 1.146833923673650 6.596310029999993 c 0.000000000000002 -2.293667847347303 6.596310029999993Atomic positions (fractional): 1 Pr 0.75804411522495 0.75804411522495 0.75804411522495 140.908 2 Pr 0.24195588477505 0.24195588477505 0.24195588477505 140.908 3 O 0.87806494505738 0.87806494505738 0.87806494505738 15.999 4 O 0.12193505494262 0.12193505494262 0.12193505494262 15.999 5 F 0.62989501438907 0.62989501438908 0.62989501438907 18.998 6 F 0.37010498561093 0.37010498561093 0.37010498561093 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 7.945498494585326 0.000000000000000 0.000000000000000 b -3.972749247292664 6.881003542041906 0.000000000000000 c 0.000000000000000 0.000000000000000 19.788930090000001Atomic positions (fractional): 1 Pr 0.33333333333333 0.16666666666667 0.09137744855828 140.908 > 1 2 Pr 0.83333333333333 0.16666666666667 0.09137744855828 140.908 > 1 3 Pr 0.33333333333333 0.66666666666667 0.09137744855828 140.908 > 1 4 Pr 0.83333333333333 0.66666666666667 0.09137744855828 140.908 > 1 5 Pr 0.00000000000000 0.00000000000000 0.24195588477505 140.908 > 5 6 Pr 0.50000000000000 0.00000000000000 0.24195588477505 140.908 > 5 7 Pr 0.00000000000000 0.50000000000000 0.24195588477505 140.908 > 5 8 Pr 0.50000000000000 0.50000000000000 0.24195588477505 140.908 > 5 9 Pr 0.16666666666667 0.33333333333333 0.42471078189161 140.908 > 1 10 Pr 0.66666666666667 0.33333333333333 0.42471078189161 140.908 > 1 11 Pr 0.16666666666667 0.83333333333333 0.42471078189161 140.908 > 1 12 Pr 0.66666666666667 0.83333333333333 0.42471078189161 140.908 > 1 13 Pr 0.33333333333333 0.16666666666667 0.57528921810838 140.908 > 5 14 Pr 0.83333333333333 0.16666666666667 0.57528921810838 140.908 > 5 15 Pr 0.33333333333333 0.66666666666667 0.57528921810838 140.908 > 5 16 Pr 0.83333333333333 0.66666666666667 0.57528921810838 140.908 > 5 17 Pr 0.00000000000000 0.00000000000000 0.75804411522495 140.908 > 1 18 Pr 0.50000000000000 0.00000000000000 0.75804411522495 140.908 > 1 19 Pr 0.00000000000000 0.50000000000000 0.75804411522495 140.908 > 1 20 Pr 0.50000000000000 0.50000000000000 0.75804411522495 140.908 > 1 21 Pr 0.16666666666667 0.33333333333333 0.90862255144172 140.908 > 5 22 Pr 0.66666666666667 0.33333333333333 0.90862255144172 140.908 > 5 23 Pr 0.16666666666667 0.83333333333333 0.90862255144172 140.908 > 5 24 Pr 0.66666666666667 0.83333333333333 0.90862255144172 140.908 > 5 25 O 0.33333333333333 0.16666666666667 0.21139827839072 15.999 > 25 26 O 0.83333333333333 0.16666666666667 0.21139827839072 15.999 > 25 27 O 0.33333333333333 0.66666666666667 0.21139827839072 15.999 > 25 28 O 0.83333333333333 0.66666666666667 0.21139827839072 15.999 > 25 29 O 0.00000000000000 0.00000000000000 0.12193505494262 15.999 > 29 30 O 0.50000000000000 0.00000000000000 0.12193505494262 15.999 > 29 31 O 0.00000000000000 0.50000000000000 0.12193505494262 15.999 > 29 32 O 0.50000000000000 0.50000000000000 0.12193505494262 15.999 > 29 33 O 0.16666666666667 0.33333333333333 0.54473161172405 15.999 > 25 34 O 0.66666666666667 0.33333333333333 0.54473161172405 15.999 > 25 35 O 0.16666666666667 0.83333333333333 0.54473161172405 15.999 > 25 36 O 0.66666666666667 0.83333333333333 0.54473161172405 15.999 > 25 37 O 0.33333333333333 0.16666666666667 0.45526838827595 15.999 > 29 38 O 0.83333333333333 0.16666666666667 0.45526838827595 15.999 > 29 39 O 0.33333333333333 0.66666666666667 0.45526838827595 15.999 > 29 40 O 0.83333333333333 0.66666666666667 0.45526838827595 15.999 > 29 41 O 0.00000000000000 0.00000000000000 0.87806494505738 15.999 > 25 42 O 0.50000000000000 0.00000000000000 0.87806494505738 15.999 > 25 43 O 0.00000000000000 0.50000000000000 0.87806494505738 15.999 > 25 44 O 0.50000000000000 0.50000000000000 0.87806494505738 15.999 > 25 45 O 0.16666666666667 0.33333333333333 0.78860172160928 15.999 > 29 46 O 0.66666666666667 0.33333333333333 0.78860172160928 15.999 > 29 47 O 0.16666666666667 0.83333333333333 0.78860172160928 15.999 > 29 48 O 0.66666666666667 0.83333333333333 0.78860172160928 15.999 > 29 49 F 0.16666666666667 0.33333333333333 0.29656168105574 18.998 > 49 50 F 0.66666666666667 0.33333333333333 0.29656168105574 18.998 > 49 51 F 0.16666666666667 0.83333333333333 0.29656168105574 18.998 > 49 52 F 0.66666666666667 0.83333333333333 0.29656168105574 18.998 > 49 53 F 0.16666666666667 0.33333333333333 0.03677165227759 18.998 > 53 54 F 0.66666666666667 0.33333333333333 0.03677165227759 18.998 > 53 55 F 0.16666666666667 0.83333333333333 0.03677165227759 18.998 > 53 56 F 0.66666666666667 0.83333333333333 0.03677165227759 18.998 > 53 57 F 0.00000000000000 0.00000000000000 0.62989501438907 18.998 > 49 58 F 0.50000000000000 0.00000000000000 0.62989501438907 18.998 > 49 59 F 0.00000000000000 0.50000000000000 0.62989501438907 18.998 > 49 60 F 0.50000000000000 0.50000000000000 0.62989501438907 18.998 > 49 61 F 0.00000000000000 0.00000000000000 0.37010498561093 18.998 > 53 62 F 0.50000000000000 0.00000000000000 0.37010498561093 18.998 > 53 63 F 0.00000000000000 0.50000000000000 0.37010498561093 18.998 > 53 64 F 0.50000000000000 0.50000000000000 0.37010498561093 18.998 > 53 65 F 0.33333333333333 0.16666666666667 0.96322834772241 18.998 > 49 66 F 0.83333333333333 0.16666666666667 0.96322834772241 18.998 > 49 67 F 0.33333333333333 0.66666666666667 0.96322834772241 18.998 > 49 68 F 0.83333333333333 0.66666666666667 0.96322834772241 18.998 > 49 69 F 0.33333333333333 0.16666666666667 0.70343831894426 18.998 > 53 70 F 0.83333333333333 0.16666666666667 0.70343831894426 18.998 > 53 71 F 0.33333333333333 0.66666666666667 0.70343831894426 18.998 > 53 72 F 0.83333333333333 0.66666666666667 0.70343831894426 18.998 > 53----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.7318227 0.0000000 0.0000000 0.0000000 3.7318227 0.0000000 0.0000000 0.0000000 3.4261460-------------------------- Born effective charges -------------------------- 1 Pr 3.9699056 0.0000000 0.0000000 0.0000000 3.9699056 0.0000000 0.0000000 0.0000000 3.6937453 2 Pr 3.9699056 0.0000000 0.0000000 0.0000000 3.9699056 0.0000000 0.0000000 0.0000000 3.6937453 3 O -2.5516149 -0.0000000 0.0000000 0.0000000 -2.5516149 0.0000000 0.0000000 0.0000000 -1.9244309 4 O -2.5516149 -0.0000000 0.0000000 0.0000000 -2.5516149 0.0000000 0.0000000 0.0000000 -1.9244309 5 F -1.4182907 -0.0000000 0.0000000 0.0000000 -1.4182907 0.0000000 0.0000000 0.0000000 -1.7693143 6 F -1.4182907 -0.0000000 0.0000000 0.0000000 -1.4182907 0.0000000 0.0000000 0.0000000 -1.7693143----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 15 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.93, Number of G-points: 325, Lambda: 0.18Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 5.753 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 13.737 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.573 ( 25.718 14.848 2.890) 29.837 0.672 ( 29.490 17.026 -1.219) 34.074 1.169 ( 49.365 28.501 13.542) 58.588 3.131 ( 4.352 2.513 -0.140) 5.027 3.276 ( 16.828 9.716 -1.503) 19.489 5.737 ( -1.176 -0.679 -1.596) 2.095 6.435 ( 0.158 0.091 -0.378) 0.420 6.798 ( 0.970 0.560 -10.565) 10.625 7.830 ( -16.329 -9.427 -19.106) 26.843 8.089 ( 2.174 1.255 1.070) 2.729 8.555 ( -9.297 -5.367 38.297) 39.773 9.425 ( 8.896 5.136 1.061) 10.326 11.418 ( -5.044 -2.912 -0.918) 5.896 12.570 ( -12.196 -7.041 -2.259) 14.263 12.711 ( -1.335 -0.771 0.681) 1.685 12.738 ( -6.053 -3.495 -4.407) 8.263 13.824 ( 10.544 6.087 -10.985) 16.398 16.230 ( 0.099 0.057 -3.867) 3.868======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( 26.649 15.386 2.927) 30.911 1.297 ( 26.354 15.215 -0.433) 30.434 2.282 ( 45.646 26.354 13.235) 54.344 3.262 ( 7.143 4.124 -0.588) 8.269 3.763 ( 25.857 14.929 -2.602) 29.971 5.688 ( -2.568 -1.483 -2.888) 4.139 6.438 ( 0.264 0.152 -0.626) 0.696 6.779 ( -0.548 -0.316 -4.488) 4.532 7.304 ( -22.277 -12.862 -22.084) 33.902 8.163 ( 3.862 2.230 1.936) 4.862 8.474 ( -7.466 -4.311 23.327) 24.869 9.595 ( 5.049 2.915 -0.445) 5.847 11.252 ( -9.131 -5.272 -1.598) 10.664 12.227 ( -16.698 -9.640 -3.339) 19.568 12.536 ( -10.208 -5.893 -4.450) 12.599 12.673 ( -2.273 -1.312 1.137) 2.861 14.047 ( 10.483 6.053 -1.631) 12.215 16.205 ( -2.151 -1.242 1.394) 2.849======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 26.297 15.182 3.282) 30.542 1.839 ( 21.887 12.636 0.776) 25.284 3.281 ( 39.350 22.719 12.745) 47.191 3.429 ( 7.709 4.451 -1.425) 9.014 4.357 ( 27.034 15.608 -3.752) 31.440 5.603 ( -4.008 -2.314 -3.050) 5.543 6.440 ( 0.084 0.048 -0.607) 0.615 6.635 ( -18.247 -10.535 3.717) 21.395 6.867 ( -2.416 -1.395 -23.468) 23.633 8.269 ( 4.870 2.812 2.311) 6.080 8.370 ( -7.611 -4.394 14.931) 17.325 9.620 ( -2.471 -1.427 -4.712) 5.509 11.011 ( -11.590 -6.691 -1.832) 13.507 11.831 ( -17.192 -9.926 -2.801) 20.048 12.275 ( -11.412 -6.589 -3.409) 13.612 12.622 ( -2.504 -1.446 1.247) 3.149 14.262 ( 8.767 5.061 0.117) 10.123 16.138 ( -4.604 -2.658 3.851) 6.564======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.279 ( 16.993 9.811 2.100) 19.734 2.363 ( 24.976 14.420 3.943) 29.108 3.583 ( 6.350 3.666 -2.425) 7.723 4.104 ( 29.708 17.152 11.656) 36.230 4.895 ( 21.157 12.215 -5.715) 25.089 5.500 ( -4.197 -2.423 -0.959) 4.940 6.234 ( -13.866 -8.005 2.381) 16.187 6.435 ( -0.486 -0.281 -0.300) 0.636 6.850 ( 3.047 1.759 -12.062) 12.565 8.237 ( -7.640 -4.411 8.887) 12.522 8.390 ( 5.204 3.004 2.012) 6.337 9.448 ( -10.420 -6.016 -10.872) 16.216 10.736 ( -12.152 -7.016 -1.546) 14.116 11.458 ( -15.196 -8.774 -1.677) 17.627 12.023 ( -10.003 -5.775 -1.600) 11.661 12.574 ( -1.988 -1.148 1.048) 2.523 14.435 ( 6.620 3.822 -0.076) 7.645 16.029 ( -6.330 -3.655 4.936) 8.820======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( 12.265 7.081 3.015) 14.480 2.917 ( 23.253 13.425 4.762) 27.270 3.690 ( 3.984 2.300 -3.121) 5.559 4.626 ( 11.931 6.888 6.928) 15.420 5.224 ( 10.041 5.797 -3.472) 12.103 5.445 ( 0.868 0.501 1.068) 1.465 6.115 ( 1.508 0.871 8.705) 8.877 6.417 ( -1.040 -0.601 0.070) 1.203 6.888 ( 3.120 1.802 -7.891) 8.675 8.100 ( -6.232 -3.598 4.566) 8.522 8.509 ( 4.763 2.750 1.258) 5.642 9.100 ( -15.777 -9.109 -16.548) 24.612 10.472 ( -10.789 -6.229 -0.935) 12.493 11.150 ( -11.852 -6.843 -0.638) 13.700 11.827 ( -7.116 -4.108 0.046) 8.217 12.543 ( -1.087 -0.628 0.708) 1.441 14.558 ( 4.519 2.609 -0.659) 5.259 15.899 ( -6.462 -3.731 4.848) 8.898======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( 7.640 4.411 2.884) 9.282 3.434 ( 21.437 12.377 5.501) 25.358 3.742 ( 1.730 0.999 -2.892) 3.514 4.643 ( -8.884 -5.129 -1.771) 10.410 5.388 ( 6.024 3.478 3.865) 7.957 5.586 ( 8.666 5.004 4.057) 10.798 6.254 ( 5.561 3.211 7.823) 10.121 6.393 ( -1.031 -0.595 0.222) 1.211 6.930 ( 2.433 1.405 -4.536) 5.336 8.011 ( -2.377 -1.372 3.235) 4.242 8.605 ( 3.386 1.955 0.544) 3.947 8.672 ( -16.123 -9.308 -18.355) 26.144 10.261 ( -7.534 -4.350 -0.372) 8.708 10.928 ( -7.698 -4.444 -0.117) 8.889 11.705 ( -4.019 -2.320 0.689) 4.692 12.529 ( -0.350 -0.202 0.383) 0.557 14.634 ( 2.608 1.506 -0.856) 3.131 15.784 ( -4.799 -2.771 3.599) 6.607======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.971 ( 2.659 1.535 1.247) 3.314 3.756 ( 0.378 0.218 -1.240) 1.315 3.911 ( 19.344 11.168 5.790) 23.075 4.334 ( -16.225 -9.367 -5.060) 19.406 5.522 ( 3.713 2.144 2.682) 5.058 5.746 ( 3.448 1.991 2.807) 4.871 6.351 ( 1.437 0.829 2.567) 3.056 6.376 ( -0.419 -0.242 0.109) 0.495 6.962 ( 1.111 0.642 -1.385) 1.888 8.037 ( 3.214 1.856 5.789) 6.877 8.306 ( -10.473 -6.047 -12.951) 17.720 8.659 ( 1.225 0.707 0.130) 1.420 10.144 ( -2.719 -1.570 -0.077) 3.141 10.811 ( -2.699 -1.558 0.005) 3.116 11.648 ( -1.274 -0.736 0.353) 1.513 12.526 ( -0.044 -0.025 0.119) 0.129 14.671 ( 0.853 0.492 -0.395) 1.061 15.717 ( -1.769 -1.022 1.342) 2.445======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.672 ( 0.000 27.680 18.734) 33.424 0.750 ( 0.000 32.711 13.397) 35.348 1.132 ( 0.000 54.882 7.678) 55.417 3.122 ( -0.000 4.853 -1.828) 5.186 3.280 ( 0.000 19.701 -0.830) 19.718 5.730 ( -0.000 -1.143 -2.888) 3.106 6.440 ( 0.000 0.370 0.670) 0.765 6.741 ( -0.000 3.489 -16.830) 17.188 8.059 ( 0.000 -1.971 4.566) 4.973 8.075 ( -0.000 1.955 -1.679) 2.577 8.493 ( 0.000 -34.324 40.074) 52.764 9.419 ( 0.000 9.422 -0.140) 9.423 11.430 ( 0.000 -5.344 1.486) 5.546 12.552 ( -0.000 -13.685 -6.712) 15.242 12.702 ( -0.000 -1.883 -1.033) 2.148 12.728 ( -0.000 -5.931 -5.156) 7.859 13.821 ( -0.000 20.513 -10.946) 23.250 16.152 ( -0.000 0.360 -16.282) 16.286======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( 10.457 25.632 13.420) 30.765 1.250 ( 12.323 30.851 4.737) 33.557 1.977 ( 31.262 41.514 12.117) 53.363 3.237 ( 5.486 7.959 -2.184) 9.911 3.588 ( 12.318 23.335 -1.912) 26.456 5.695 ( -1.381 -1.477 -3.739) 4.250 6.434 ( -0.842 -0.179 0.228) 0.890 6.730 ( 1.740 0.050 -11.599) 11.729 7.623 ( -32.460 -7.802 -2.650) 33.490 8.090 ( 4.008 -2.269 4.482) 6.427 8.504 ( 6.780 -14.854 18.858) 24.945 9.554 ( 4.640 6.413 -1.032) 7.983 11.322 ( -5.663 -6.823 0.422) 8.877 12.305 ( -9.028 -15.623 -5.736) 18.934 12.576 ( -5.990 -9.024 -5.248) 12.036 12.682 ( -0.265 -2.289 -0.336) 2.329 14.028 ( 3.962 15.251 2.396) 15.939 16.139 ( 4.047 -4.629 -9.051) 10.942======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( 19.749 22.135 7.738) 30.657 1.756 ( 13.217 25.930 2.779) 29.237 2.925 ( 33.938 28.131 11.685) 45.604 3.427 ( 6.152 13.541 -1.343) 14.933 4.090 ( 21.471 20.625 -3.793) 30.013 5.631 ( -2.925 -1.605 -3.572) 4.888 6.410 ( -0.437 -2.666 -0.540) 2.755 6.724 ( 2.489 -1.423 -8.514) 8.984 7.001 ( -28.579 -9.331 -4.621) 30.417 8.167 ( 5.791 -2.780 4.396) 7.784 8.493 ( -1.914 -4.910 11.074) 12.264 9.631 ( -0.262 1.577 -3.648) 3.983 11.124 ( -9.519 -7.044 -0.717) 11.863 11.945 ( -12.911 -15.640 -3.417) 20.567 12.337 ( -8.087 -10.841 -5.433) 14.576 12.654 ( -1.224 -0.859 0.354) 1.536 14.239 ( 3.937 11.504 4.588) 12.996 16.110 ( 1.847 -8.000 -2.751) 8.659======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 21.897 20.011 4.916) 30.068 2.204 ( 11.721 21.008 3.017) 24.245 3.502 ( 10.278 7.262 -0.702) 12.604 3.885 ( 24.497 26.153 9.250) 37.009 4.629 ( 22.390 15.453 -6.090) 27.878 5.548 ( -4.037 -1.125 -1.482) 4.445 6.336 ( -4.620 -7.992 -1.176) 9.306 6.524 ( -15.995 -3.644 2.124) 16.542 6.735 ( 4.494 -2.873 -8.073) 9.676 8.232 ( 3.070 -4.660 4.639) 7.256 8.452 ( -3.188 2.176 5.630) 6.826 9.531 ( -8.374 -3.049 -8.890) 12.588 10.874 ( -11.721 -6.376 -1.233) 13.400 11.571 ( -13.003 -14.018 -1.757) 19.201 12.082 ( -7.484 -10.516 -4.021) 13.519 12.631 ( -2.239 1.915 0.539) 2.995 14.407 ( 3.161 7.759 3.529) 9.091 16.027 ( -0.561 -10.455 1.030) 10.520======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.570 ( 9.048 16.441 3.618) 19.112 2.708 ( 21.082 18.891 3.503) 28.524 3.665 ( 3.718 6.713 -3.028) 8.250 4.505 ( 17.891 15.818 6.185) 24.668 5.056 ( 16.103 9.373 -6.167) 19.627 5.477 ( -3.279 0.339 1.298) 3.543 6.160 ( -4.455 -2.865 7.877) 9.492 6.392 ( -1.054 -5.132 1.562) 5.467 6.765 ( 5.860 -4.068 -5.902) 9.258 8.188 ( -4.509 -3.004 3.429) 6.412 8.494 ( 1.943 4.049 2.974) 5.387 9.240 ( -15.459 -6.243 -14.684) 22.217 10.616 ( -11.680 -4.503 -1.384) 12.594 11.236 ( -11.305 -11.989 -0.597) 16.489 11.870 ( -5.309 -8.494 -1.926) 10.200 12.622 ( -3.247 5.580 0.465) 6.473 14.519 ( 2.672 3.714 1.735) 4.894 15.904 ( -1.666 -11.822 2.886) 12.282======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( 5.030 13.552 3.643) 14.908 3.231 ( 19.678 15.905 2.391) 25.415 3.756 ( 1.042 6.692 -2.906) 7.370 4.729 ( -2.998 3.196 -4.742) 6.457 5.325 ( 8.462 5.318 2.230) 10.240 5.516 ( 5.831 4.457 4.937) 8.845 6.215 ( 4.865 1.609 11.084) 12.211 6.341 ( 1.566 -7.505 1.178) 7.757 6.808 ( 6.691 -5.389 -4.190) 9.558 8.092 ( -5.453 0.495 2.107) 5.867 8.581 ( 2.516 2.754 2.680) 4.593 8.833 ( -17.819 -6.020 -17.618) 25.771 10.401 ( -10.200 -0.407 -1.302) 10.291 10.960 ( -7.790 -11.360 -0.052) 13.774 11.728 ( -3.016 -5.699 -0.561) 6.472 12.631 ( -4.484 9.179 0.322) 10.220 14.584 ( 2.774 -0.252 0.276) 2.799 15.774 ( -1.040 -11.785 3.112) 12.233======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.020 ( 0.110 10.962 2.169) 11.175 3.639 ( 12.371 4.128 -0.503) 13.051 3.870 ( 5.390 14.828 0.628) 15.790 4.532 ( -15.794 -1.214 -8.488) 17.971 5.489 ( 5.181 3.652 3.804) 7.392 5.699 ( 5.918 1.930 6.881) 9.279 6.294 ( 2.917 -7.087 1.237) 7.764 6.340 ( 3.094 -1.157 3.709) 4.966 6.855 ( 6.737 -6.467 -1.554) 9.467 8.059 ( -1.025 2.831 3.381) 4.528 8.442 ( -14.738 -2.226 -10.717) 18.359 8.658 ( 1.353 2.196 0.110) 2.582 10.265 ( -8.229 5.181 -0.897) 9.766 10.766 ( -1.768 -11.306 -0.171) 11.445 11.650 ( -1.075 -3.261 -0.424) 3.460 12.647 ( -5.947 11.625 0.190) 13.060 14.615 ( 3.152 -3.372 -0.279) 4.624 15.673 ( 1.099 -10.505 1.894) 10.731======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.071 ( -5.304 7.882 -0.645) 9.522 3.729 ( 1.781 -2.142 -0.154) 2.790 4.167 ( -13.911 -1.170 -5.939) 15.170 4.233 ( 6.097 17.128 -0.525) 18.188 5.556 ( -1.648 0.332 -0.089) 1.684 5.751 ( -0.456 -3.063 1.734) 3.550 6.281 ( 4.203 -7.613 0.280) 8.701 6.351 ( 0.226 -2.415 -3.024) 3.877 6.887 ( 4.971 -7.683 1.241) 9.235 8.078 ( -2.813 0.637 -1.382) 3.198 8.310 ( 0.734 8.073 6.305) 10.269 8.686 ( -0.600 1.268 1.835) 2.310 10.221 ( -5.243 9.567 -0.136) 10.910 10.692 ( 5.408 -9.446 -0.770) 10.911 11.623 ( 0.919 -1.627 -1.066) 2.151 12.654 ( -7.112 12.226 0.061) 14.144 14.626 ( 2.988 -4.834 0.106) 5.684 15.627 ( 4.238 -8.565 -0.375) 9.564======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.995 ( -10.053 4.602 -2.777) 11.400 3.624 ( -13.054 -7.770 -3.926) 15.691 3.862 ( -11.429 4.140 -0.645) 12.173 4.568 ( 9.610 12.848 -1.216) 16.090 5.453 ( -6.673 -2.192 -3.800) 7.985 5.655 ( -5.982 -4.879 -2.264) 8.044 6.265 ( -2.167 -5.025 -4.920) 7.359 6.303 ( 4.461 -7.275 -1.654) 8.693 6.882 ( 3.165 -8.619 3.351) 9.774 8.039 ( -2.425 4.583 -0.276) 5.193 8.544 ( 8.785 5.064 7.074) 12.364 8.702 ( 0.568 5.747 10.291) 11.800 10.272 ( -0.421 10.518 0.590) 10.543 10.761 ( 11.103 -4.661 -1.156) 12.097 11.644 ( 3.534 -0.654 -1.757) 4.000 12.645 ( -7.230 11.011 -0.084) 13.172 14.621 ( 1.472 -4.480 0.919) 4.804 15.648 ( 7.671 -6.546 -2.922) 10.499======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.812 ( -14.128 1.986 -3.052) 14.590 3.193 ( -24.069 -7.417 -5.348) 25.748 3.785 ( -5.827 2.389 2.791) 6.889 4.716 ( -3.468 3.700 -6.152) 7.972 5.318 ( -6.167 -2.285 -0.395) 6.589 5.488 ( -5.810 -2.567 -1.214) 6.466 6.114 ( -4.231 -5.131 -7.492) 10.018 6.330 ( 6.020 -5.967 -0.839) 8.518 6.858 ( 2.576 -9.012 5.343) 10.789 8.083 ( 0.496 6.616 0.330) 6.643 8.561 ( -3.309 -1.693 -1.205) 3.907 9.015 ( 13.185 11.594 17.756) 24.971 10.413 ( 5.325 9.214 0.956) 10.685 10.956 ( 14.456 0.620 -0.708) 14.486 11.723 ( 7.109 0.103 -1.769) 7.326 12.628 ( -5.916 8.638 -0.254) 10.473 14.590 ( -1.462 -3.060 1.473) 3.698 15.733 ( 10.357 -4.745 -4.834) 12.375======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.542 ( -18.388 0.228 -1.961) 18.494 2.670 ( -27.219 -7.885 -3.917) 28.607 3.692 ( -7.888 -0.264 2.183) 8.189 4.421 ( -24.933 -6.573 -9.014) 27.315 5.115 ( -15.173 -8.453 3.688) 17.756 5.468 ( 2.462 2.480 0.274) 3.506 6.098 ( 7.967 3.955 -4.140) 9.811 6.378 ( 5.415 -3.334 -1.270) 6.484 6.836 ( 2.735 -8.927 7.843) 12.194 8.161 ( 1.802 4.554 -1.961) 5.276 8.470 ( -4.988 -0.311 -1.750) 5.295 9.378 ( 11.078 8.562 12.254) 18.606 10.629 ( 9.809 7.900 1.151) 12.647 11.241 ( 16.892 3.487 0.408) 17.253 11.877 ( 11.155 1.110 -0.715) 11.233 12.618 ( -3.490 5.908 -0.452) 6.876 14.518 ( -5.151 -1.588 1.500) 5.596 15.861 ( 11.235 -3.315 -5.549) 12.962======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.105 ( -28.963 -8.939 -2.393) 30.405 2.187 ( -23.669 -0.014 -0.264) 23.670 3.500 ( -14.377 -7.804 -0.900) 16.383 3.803 ( -33.882 -3.924 -6.503) 34.723 4.674 ( -25.019 -11.950 2.411) 27.831 5.563 ( 4.451 2.420 1.986) 5.442 6.349 ( 9.993 0.404 1.276) 10.082 6.492 ( 11.786 10.540 -3.805) 16.263 6.846 ( 5.342 -8.092 13.166) 16.351 8.186 ( 0.552 -2.519 -4.574) 5.251 8.405 ( -3.167 4.117 -3.777) 6.422 9.606 ( 4.769 4.100 5.760) 8.528 10.887 ( 11.570 6.464 1.248) 13.312 11.587 ( 19.560 3.867 1.383) 19.986 12.108 ( 14.023 2.104 0.824) 14.203 12.625 ( -0.815 3.365 -0.613) 3.516 14.394 ( -8.809 -0.659 1.291) 8.927 15.997 ( 9.952 -2.315 -4.929) 11.344======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( -30.374 -7.614 -1.004) 31.329 1.747 ( -28.949 0.173 1.049) 28.968 2.832 ( -44.308 -12.604 -6.139) 46.473 3.434 ( -13.956 1.995 -0.025) 14.098 4.116 ( -28.727 -8.918 1.325) 30.109 5.656 ( 3.635 1.071 1.508) 4.078 6.416 ( 2.352 -1.417 0.516) 2.794 6.750 ( 4.191 3.377 -2.762) 6.049 7.116 ( 24.161 5.757 16.873) 30.026 8.116 ( -0.847 -5.679 -5.265) 7.790 8.403 ( -0.579 3.742 -6.592) 7.602 9.656 ( -2.510 0.398 1.254) 2.834 11.133 ( 10.960 3.724 0.974) 11.616 11.970 ( 21.040 2.950 1.318) 21.287 12.374 ( 14.238 1.909 1.479) 14.441 12.649 ( 1.204 1.315 -0.539) 1.862 14.221 ( -11.646 -0.335 1.171) 11.709 16.109 ( 7.099 -1.427 -2.945) 7.817======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( -30.367 -0.000 0.000) 30.367 1.226 ( -33.575 -0.000 0.000) 33.575 1.914 ( -53.680 -0.000 0.000) 53.680 3.249 ( -9.563 -0.000 0.000) 9.563 3.598 ( -26.443 -0.000 0.000) 26.443 5.714 ( 2.367 0.000 -0.000) 2.367 6.433 ( 0.521 0.000 -0.000) 0.521 6.798 ( 1.581 0.000 -0.000) 1.581 7.641 ( 25.128 0.000 -0.000) 25.128 8.054 ( -0.266 -0.000 0.000) 0.266 8.405 ( 1.256 0.000 -0.000) 1.256 9.560 ( -8.381 -0.000 0.000) 8.381 11.320 ( 8.669 0.000 -0.000) 8.669 12.333 ( 19.252 0.000 -0.000) 19.252 12.607 ( 11.248 0.000 -0.000) 11.248 12.684 ( 2.275 0.000 -0.000) 2.275 14.015 ( -12.440 -0.000 0.000) 12.440 16.189 ( 3.921 0.000 -0.000) 3.921======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.311 ( 0.000 26.296 14.392) 29.977 1.425 ( 0.000 27.887 11.283) 30.083 2.212 ( 0.000 50.834 7.072) 51.323 3.238 ( -0.000 8.542 -2.978) 9.046 3.764 ( 0.000 29.285 -2.274) 29.373 5.682 ( -0.000 -1.070 -3.636) 3.790 6.452 ( 0.000 0.166 0.652) 0.673 6.668 ( -0.000 -2.231 -9.885) 10.133 8.021 ( 0.000 -28.535 39.357) 48.613 8.068 ( -0.000 -5.246 -15.416) 16.284 8.121 ( -0.000 4.316 -1.934) 4.729 9.574 ( -0.000 6.689 -2.368) 7.096 11.289 ( -0.000 -10.372 1.820) 10.530 12.200 ( -0.000 -16.767 -6.321) 17.919 12.520 ( -0.000 -12.198 -4.434) 12.979 12.647 ( -0.000 -2.763 -1.288) 3.048 14.179 ( 0.000 15.654 9.652) 18.390 16.007 ( -0.000 -3.979 -15.509) 16.012======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( 5.548 25.711 10.679) 28.388 1.835 ( 10.407 24.725 7.452) 27.842 2.852 ( 16.278 40.133 7.336) 43.925 3.402 ( 9.126 11.190 -3.165) 14.783 4.090 ( 6.398 28.271 -3.220) 29.164 5.650 ( -1.758 -0.124 -2.535) 3.087 6.424 ( -2.828 -1.189 0.285) 3.080 6.617 ( 2.055 -5.963 -7.723) 9.971 7.426 ( -31.066 -14.324 8.523) 35.255 8.076 ( 3.774 -1.304 2.620) 4.776 8.371 ( 11.941 -5.182 3.989) 13.614 9.632 ( 1.041 2.898 -3.266) 4.489 11.154 ( -3.765 -11.076 0.965) 11.738 11.950 ( -7.711 -16.897 -3.385) 18.879 12.313 ( -5.930 -14.021 -6.072) 16.390 12.636 ( 1.544 -1.865 -0.741) 2.532 14.362 ( 0.286 13.160 11.556) 17.516 15.946 ( 3.690 -7.485 -11.992) 14.610======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.062 ( 14.221 22.936 5.832) 27.610 2.265 ( 10.478 23.155 5.731) 26.053 3.408 ( 11.699 16.129 1.564) 19.987 3.795 ( 19.551 23.578 0.611) 30.636 4.487 ( 12.474 22.234 -3.956) 25.799 5.607 ( -3.456 1.507 -0.285) 3.781 6.341 ( -4.189 -3.787 0.240) 5.653 6.551 ( 2.039 -12.383 -5.689) 13.779 6.882 ( -23.481 -4.306 8.111) 25.213 8.151 ( 4.665 -0.176 1.060) 4.787 8.465 ( 3.364 -2.185 2.623) 4.793 9.596 ( -4.948 -1.640 -6.697) 8.486 10.963 ( -7.257 -9.661 0.229) 12.085 11.626 ( -10.536 -14.820 -0.651) 18.195 12.049 ( -5.707 -14.446 -6.667) 16.903 12.654 ( 1.384 1.101 -0.404) 1.814 14.506 ( -1.122 10.191 9.518) 13.990 15.878 ( 2.795 -12.193 -6.116) 13.924======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( 15.122 16.572 3.305) 22.677 2.690 ( 10.938 25.414 4.482) 28.029 3.649 ( 5.757 8.336 -2.565) 10.450 4.367 ( 20.109 18.614 -1.670) 27.453 4.888 ( 14.221 15.298 -1.920) 20.975 5.565 ( -4.722 3.238 1.809) 6.005 6.227 ( -4.545 -3.591 4.474) 7.319 6.382 ( -3.253 -14.571 3.675) 15.376 6.670 ( -4.003 -0.925 2.365) 4.741 8.209 ( 0.905 1.219 -0.997) 1.816 8.498 ( 1.945 -0.013 2.091) 2.855 9.380 ( -12.743 -5.143 -12.240) 18.403 10.729 ( -9.381 -8.639 -0.336) 12.757 11.329 ( -11.249 -9.015 0.478) 14.423 11.820 ( -2.736 -13.291 -4.605) 14.330 12.703 ( 0.845 5.417 -0.348) 5.494 14.581 ( -2.626 6.247 6.291) 9.247 15.763 ( 1.593 -16.024 -1.586) 16.181======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.890 ( 9.538 12.949 4.697) 16.754 3.149 ( 12.556 24.390 -0.021) 27.432 3.781 ( 3.260 6.752 -3.205) 8.154 4.731 ( 8.297 9.140 -10.458) 16.179 5.237 ( 11.001 10.132 5.474) 15.926 5.535 ( -2.177 3.912 3.226) 5.518 6.211 ( 1.142 -0.589 9.901) 9.984 6.242 ( 0.540 -12.074 7.558) 14.254 6.641 ( 2.792 -5.439 -0.503) 6.135 8.192 ( -4.166 2.931 -2.215) 5.555 8.558 ( 3.799 0.375 2.178) 4.395 9.018 ( -17.125 -5.672 -15.781) 23.968 10.510 ( -6.746 -6.511 -0.967) 9.425 11.059 ( -13.513 -4.653 0.542) 14.302 11.677 ( 0.128 -9.716 -2.032) 9.927 12.784 ( -0.524 10.649 -0.283) 10.665 14.585 ( -2.797 1.166 3.157) 4.376 15.622 ( 1.921 -18.128 0.960) 18.255======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.140 ( 3.290 12.753 4.600) 13.951 3.515 ( 8.725 11.961 -4.935) 15.606 3.923 ( 5.582 12.916 -0.786) 14.093 4.753 ( -9.233 7.379 -12.627) 17.295 5.445 ( 5.088 3.619 5.910) 8.598 5.644 ( 6.197 2.890 7.979) 10.508 6.152 ( 2.751 -12.344 3.543) 13.134 6.309 ( 2.065 0.323 8.388) 8.645 6.648 ( 6.720 -9.076 0.449) 11.301 8.141 ( -4.278 4.026 -1.284) 6.013 8.623 ( -0.416 -1.851 -8.650) 8.856 8.656 ( -11.151 0.161 -2.214) 11.370 10.390 ( -1.955 -1.872 -1.534) 3.111 10.794 ( -13.280 -3.461 0.695) 13.742 11.609 ( 0.835 -5.683 -1.113) 5.851 12.879 ( -3.699 15.732 -0.083) 16.161 14.544 ( -0.697 -4.286 0.966) 4.449 15.495 ( 3.730 -18.222 1.513) 18.662======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.259 ( -4.568 11.263 0.669) 12.172 3.651 ( 5.077 -0.252 -2.789) 5.798 4.205 ( 6.836 17.132 -1.796) 18.533 4.552 ( -17.832 11.328 -9.272) 23.071 5.558 ( 3.132 0.879 2.595) 4.161 5.731 ( 0.454 -3.462 6.546) 7.418 6.111 ( 4.563 -11.337 3.334) 12.668 6.308 ( -0.702 -2.894 -4.950) 5.777 6.691 ( 7.909 -10.648 4.602) 14.039 8.131 ( -1.778 3.451 1.049) 4.022 8.443 ( -6.017 6.134 -6.268) 10.636 8.693 ( 1.880 -0.311 5.732) 6.040 10.402 ( 2.653 4.123 -1.626) 5.166 10.569 ( -9.461 -3.226 0.952) 10.041 11.578 ( 1.062 -3.352 -1.644) 3.881 12.948 ( -8.329 18.402 0.147) 20.199 14.503 ( 3.066 -7.652 0.138) 8.244 15.412 ( 6.394 -16.859 0.386) 18.035======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.213 ( -9.738 6.183 -3.417) 12.031 3.696 ( -0.597 0.406 0.954) 1.196 4.161 ( -18.443 4.572 -6.043) 19.939 4.603 ( 3.524 21.266 -4.023) 21.928 5.536 ( -5.705 -1.779 -1.021) 6.063 5.673 ( -2.440 -4.954 0.629) 5.558 6.102 ( 6.113 -10.996 2.216) 12.774 6.224 ( -1.185 -6.482 -8.357) 10.642 6.717 ( 5.816 -11.221 5.273) 13.694 8.140 ( -2.440 5.740 1.589) 6.436 8.506 ( 4.078 6.422 -0.411) 7.619 8.754 ( 2.720 2.503 11.305) 11.894 10.434 ( -3.395 -2.580 1.014) 4.382 10.542 ( 6.430 9.456 -1.079) 11.486 11.568 ( 2.330 -2.932 -2.685) 4.608 12.949 ( -11.833 16.568 0.230) 20.361 14.508 ( 5.408 -6.570 0.531) 8.526 15.390 ( 9.582 -14.728 -1.690) 17.652======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.051 ( -12.370 1.998 -3.869) 13.114 3.549 ( -20.797 3.349 -2.238) 21.184 3.933 ( -8.820 2.030 0.235) 9.054 4.804 ( -0.509 14.080 -6.644) 15.577 5.403 ( -6.236 -1.362 -0.316) 6.391 5.558 ( -5.773 -3.116 -1.493) 6.728 6.077 ( -0.819 -9.569 -7.687) 12.302 6.131 ( 6.015 -8.653 0.775) 10.567 6.711 ( 4.397 -10.823 4.907) 12.671 8.181 ( -1.814 8.320 2.041) 8.757 8.565 ( 0.172 -1.291 -1.781) 2.206 8.979 ( 10.717 8.940 15.491) 20.851 10.418 ( 3.524 -1.364 0.885) 3.881 10.777 ( 8.722 12.280 -0.213) 15.064 11.588 ( 5.515 -3.640 -3.307) 7.389 12.882 ( -11.943 11.509 0.171) 16.586 14.547 ( 3.697 -2.728 1.410) 4.806 15.441 ( 12.886 -11.780 -3.650) 17.837======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.816 ( -15.251 -0.709 -2.570) 15.482 3.124 ( -30.072 2.952 -2.509) 30.321 3.833 ( -7.103 0.288 1.628) 7.293 4.731 ( -16.691 3.427 -6.777) 18.337 5.274 ( -9.687 -3.794 2.870) 10.792 5.473 ( -1.202 1.280 -1.040) 2.041 5.998 ( 4.423 -1.016 -5.942) 7.477 6.186 ( 9.174 -7.510 -0.538) 11.868 6.696 ( 3.892 -9.600 4.600) 11.334 8.235 ( -2.272 7.318 1.401) 7.790 8.516 ( -2.403 -2.250 -1.133) 3.481 9.308 ( 11.882 7.604 10.999) 17.888 10.530 ( 9.494 0.915 0.790) 9.570 11.050 ( 10.417 10.039 0.339) 14.471 11.676 ( 10.612 -3.422 -2.581) 11.445 12.788 ( -9.234 6.371 0.069) 11.219 14.568 ( -0.816 0.033 1.693) 1.880 15.568 ( 14.868 -7.725 -4.222) 17.279======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.489 ( -22.270 -2.862 -1.247) 22.488 2.633 ( -29.047 2.502 -0.783) 29.165 3.678 ( -11.528 -1.652 0.391) 11.653 4.313 ( -30.284 -0.285 -3.621) 30.501 4.975 ( -20.089 -5.820 1.297) 20.955 5.518 ( 3.558 1.612 0.659) 3.961 6.190 ( 12.229 5.127 0.225) 13.262 6.306 ( 14.494 -1.622 -3.558) 15.013 6.692 ( 3.972 -7.830 4.315) 9.783 8.228 ( -4.789 2.251 0.100) 5.293 8.462 ( -1.960 0.227 -1.068) 2.244 9.559 ( 7.890 3.516 4.607) 9.789 10.739 ( 12.287 2.395 0.575) 12.532 11.323 ( 14.499 3.808 0.403) 14.996 11.866 ( 14.926 -1.011 -0.765) 14.980 12.707 ( -5.411 2.569 -0.039) 5.990 14.523 ( -5.519 0.590 1.062) 5.651 15.749 ( 14.114 -3.396 -2.857) 14.795======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( -30.904 -0.000 0.000) 30.904 2.206 ( -25.325 -0.000 0.000) 25.325 3.378 ( -25.479 -0.000 0.000) 25.479 3.784 ( -27.971 -0.000 0.000) 27.971 4.546 ( -26.616 -0.000 0.000) 26.616 5.597 ( 4.289 0.000 -0.000) 4.289 6.340 ( 5.804 0.000 -0.000) 5.804 6.702 ( 27.090 0.000 -0.000) 27.090 6.710 ( 3.202 0.000 -0.000) 3.202 8.142 ( -5.180 -0.000 0.000) 5.180 8.436 ( -1.678 -0.000 0.000) 1.678 9.668 ( 2.331 0.000 -0.000) 2.331 10.960 ( 11.938 0.000 -0.000) 11.938 11.632 ( 19.969 0.000 -0.000) 19.969 12.126 ( 15.964 0.000 -0.000) 15.964 12.659 ( -1.710 -0.000 0.000) 1.710 14.402 ( -9.323 -0.000 0.000) 9.323 15.942 ( 11.062 0.000 -0.000) 11.062======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( 0.000 22.835 9.236) 24.632 1.969 ( 0.000 21.263 8.277) 22.817 3.167 ( 0.000 42.685 4.016) 42.874 3.402 ( -0.000 10.212 -3.207) 10.703 4.310 ( 0.000 27.883 -4.602) 28.260 5.673 ( 0.000 2.407 0.243) 2.419 6.447 ( -0.000 -0.932 -0.241) 0.963 6.492 ( -0.000 -11.757 -4.270) 12.509 7.594 ( 0.000 -24.155 12.280) 27.097 8.042 ( 0.000 0.220 0.760) 0.791 8.224 ( 0.000 7.160 -0.252) 7.165 9.636 ( -0.000 1.650 -3.038) 3.457 11.056 ( -0.000 -14.398 0.697) 14.415 11.845 ( -0.000 -16.461 -2.270) 16.617 12.203 ( -0.000 -16.348 -6.491) 17.589 12.588 ( -0.000 -2.406 -0.668) 2.497 14.526 ( 0.000 10.687 15.773) 19.053 15.806 ( -0.000 -5.391 -15.800) 16.694======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.138 ( 5.297 21.553 5.462) 22.857 2.298 ( 11.091 17.909 7.095) 22.228 3.475 ( 1.459 16.947 -1.241) 17.055 3.713 ( 14.937 25.413 -2.212) 29.561 4.580 ( 3.828 24.156 -3.816) 24.753 5.697 ( -2.393 5.306 3.798) 6.950 6.352 ( 0.721 -15.484 -0.875) 15.525 6.400 ( -3.339 -3.741 -0.933) 5.101 7.231 ( -19.500 -10.681 8.179) 23.690 8.085 ( 3.603 1.706 -0.508) 4.018 8.373 ( 6.196 3.266 1.122) 7.093 9.618 ( -1.890 -1.658 -4.461) 5.121 10.912 ( -0.506 -13.923 0.207) 13.933 11.624 ( -6.598 -15.690 0.981) 17.049 11.965 ( -4.985 -16.283 -8.615) 19.084 12.607 ( 3.949 -0.620 -0.422) 4.020 14.662 ( -1.046 7.869 14.879) 16.864 15.710 ( 0.886 -7.582 -12.667) 14.789======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.487 ( 10.735 17.679 2.408) 20.823 2.717 ( 14.978 19.021 5.896) 24.918 3.645 ( 3.621 10.201 -3.005) 11.234 4.185 ( 18.013 15.883 -8.539) 25.489 4.886 ( 7.404 20.571 1.015) 21.887 5.716 ( -4.909 7.250 5.954) 10.588 6.199 ( 1.840 -20.646 1.653) 20.794 6.293 ( -4.968 -1.954 2.899) 6.074 6.896 ( -16.287 -0.745 7.442) 17.922 8.176 ( 4.553 3.003 -2.581) 6.035 8.462 ( 2.011 1.145 0.339) 2.339 9.476 ( -8.788 -5.260 -9.111) 13.708 10.755 ( -4.615 -11.521 0.473) 12.420 11.387 ( -5.294 -10.791 3.284) 12.460 11.703 ( -3.813 -15.437 -8.590) 18.073 12.695 ( 4.930 3.408 -0.636) 6.027 14.733 ( -3.540 5.133 11.592) 13.162 15.584 ( -0.429 -12.404 -7.560) 14.532======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.830 ( 11.659 12.298 2.691) 17.158 3.193 ( 14.506 23.270 2.232) 27.512 3.760 ( 3.096 4.850 -4.734) 7.451 4.552 ( 16.610 7.719 -13.558) 22.788 5.217 ( 8.580 15.761 6.526) 19.094 5.698 ( -8.046 7.446 4.629) 11.900 6.053 ( 3.962 -20.680 5.284) 21.709 6.252 ( -1.140 0.517 9.754) 9.834 6.701 ( -10.480 0.623 5.328) 11.773 8.255 ( 0.923 4.696 -4.125) 6.318 8.491 ( 2.222 -1.160 0.057) 2.507 9.175 ( -14.363 -6.681 -13.668) 20.923 10.541 ( -7.352 -10.008 1.039) 12.462 11.245 ( -8.690 -1.033 0.955) 8.803 11.516 ( 3.224 -14.662 -4.032) 15.544 12.834 ( 5.119 8.479 -0.904) 9.945 14.716 ( -6.763 2.352 7.621) 10.457 15.411 ( -0.136 -17.737 -3.210) 18.025======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.133 ( 10.606 9.059 4.154) 14.554 3.567 ( 1.947 16.973 -6.189) 18.171 3.890 ( 11.140 8.640 -1.677) 14.197 4.800 ( 8.843 8.526 -14.401) 18.928 5.472 ( 2.918 7.583 8.728) 11.924 5.650 ( -4.050 4.349 4.929) 7.721 5.970 ( 5.384 -16.603 5.897) 18.423 6.318 ( 2.492 0.444 13.001) 13.245 6.566 ( -6.152 -3.117 2.232) 7.249 8.260 ( -4.422 5.958 -3.851) 8.360 8.522 ( 4.340 -4.113 -2.877) 6.636 8.836 ( -12.816 -3.225 -10.818) 17.079 10.368 ( -3.352 -6.913 1.661) 7.861 11.041 ( -13.814 0.746 -2.564) 14.070 11.494 ( 5.485 -7.212 0.100) 9.061 13.022 ( 4.255 14.171 -0.849) 14.821 14.606 ( -8.877 -1.410 3.802) 9.759 15.234 ( 3.019 -21.629 -0.346) 21.841======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.377 ( 5.425 8.247 4.636) 10.906 3.587 ( -1.447 1.623 -8.634) 8.904 4.246 ( 10.591 19.602 -2.288) 22.398 4.886 ( -7.302 14.785 -12.485) 20.683 5.522 ( 0.235 -0.484 6.604) 6.626 5.693 ( 2.503 -3.431 6.300) 7.598 5.947 ( 4.900 -11.404 7.412) 14.457 6.329 ( -6.363 -0.742 -2.720) 6.960 6.494 ( 4.823 -8.879 8.026) 12.904 8.223 ( -4.308 5.133 -1.150) 6.799 8.500 ( 0.119 -1.499 -10.730) 10.835 8.695 ( -1.368 0.315 3.472) 3.746 10.305 ( 1.329 -4.908 2.039) 5.479 10.827 ( -12.239 4.414 -2.464) 13.241 11.515 ( 2.246 -2.722 -0.400) 3.552 13.223 ( -0.628 19.628 -0.347) 19.641 14.442 ( -5.752 -6.451 1.203) 8.726 15.104 ( 7.036 -22.459 0.429) 23.540======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.394 ( -8.039 2.698 -4.276) 9.497 3.657 ( 7.186 2.655 1.894) 7.891 4.464 ( -7.957 13.313 -6.420) 16.785 4.845 ( -8.235 21.841 -6.807) 24.314 5.551 ( 1.840 -3.476 2.742) 4.794 5.664 ( -1.629 -6.289 3.948) 7.602 5.937 ( 3.036 -10.426 8.537) 13.813 6.159 ( -4.511 -5.600 -12.602) 14.509 6.533 ( 5.802 -9.441 7.588) 13.430 8.233 ( -1.233 6.052 1.761) 6.423 8.497 ( 2.084 2.460 -5.646) 6.502 8.741 ( 3.921 0.482 7.236) 8.244 10.292 ( 2.545 -7.383 1.055) 7.880 10.753 ( -4.959 13.161 -0.181) 14.065 11.506 ( 0.167 -2.490 -2.141) 3.288 13.327 ( -10.979 19.592 0.277) 22.461 14.352 ( 3.827 -6.812 0.277) 7.818 15.041 ( 10.621 -20.849 -0.548) 23.405======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.234 ( -10.111 -0.132 -4.016) 10.880 3.785 ( 0.869 5.450 3.396) 6.480 4.216 ( -23.640 4.122 -5.183) 24.550 4.981 ( -2.836 20.747 -7.137) 22.123 5.481 ( -4.789 -4.520 2.602) 7.081 5.598 ( -2.332 -2.475 0.238) 3.409 5.913 ( 2.954 -9.750 3.932) 10.920 6.014 ( 0.168 -7.960 -8.636) 11.746 6.554 ( 4.753 -8.401 4.791) 10.776 8.292 ( -0.929 7.931 1.564) 8.137 8.528 ( 1.594 -1.849 -1.770) 3.016 8.909 ( 10.272 4.150 8.799) 14.148 10.270 ( 4.586 -7.262 -0.365) 8.596 10.895 ( 1.411 18.384 2.638) 18.625 11.464 ( 1.248 -5.789 -3.902) 7.092 13.235 ( -16.553 11.084 0.333) 19.924 14.436 ( 7.923 0.115 0.918) 7.977 15.061 ( 14.418 -16.684 -2.073) 22.148======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.031 ( -12.358 -0.633 -1.917) 12.522 3.674 ( -28.385 7.155 -0.038) 29.273 3.919 ( -4.435 -2.818 -0.397) 5.269 5.001 ( -10.866 8.942 -5.197) 15.001 5.384 ( -5.104 -2.055 3.495) 6.519 5.523 ( -4.023 0.122 -1.444) 4.276 5.870 ( 3.920 -5.592 -3.943) 7.886 5.997 ( 5.617 -4.605 0.563) 7.285 6.571 ( 3.894 -5.123 2.494) 6.901 8.350 ( -2.057 7.005 0.999) 7.369 8.502 ( -0.121 -4.009 -0.674) 4.067 9.184 ( 13.227 3.814 5.923) 14.986 10.335 ( 9.903 -3.548 -0.338) 10.525 11.108 ( 0.682 15.712 3.050) 16.020 11.445 ( 8.414 -8.478 -3.891) 12.562 13.039 ( -14.463 4.001 0.146) 15.007 14.557 ( 3.600 1.892 1.155) 4.228 15.202 ( 17.649 -8.193 -2.177) 19.579======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.790 ( -15.881 -0.000 0.000) 15.881 3.170 ( -32.406 -0.000 0.000) 32.406 3.831 ( -6.992 -0.000 0.000) 6.992 4.753 ( -21.808 -0.000 0.000) 21.808 5.231 ( -12.895 -0.000 0.000) 12.895 5.490 ( 0.367 0.000 -0.000) 0.367 5.991 ( 13.675 0.000 -0.000) 13.675 6.085 ( 7.537 0.000 -0.000) 7.537 6.608 ( 3.132 0.000 -0.000) 3.132 8.331 ( -4.721 -0.000 0.000) 4.721 8.475 ( -0.364 -0.000 0.000) 0.364 9.424 ( 11.380 0.000 -0.000) 11.380 10.523 ( 13.640 0.000 -0.000) 13.640 11.203 ( 3.468 0.000 -0.000) 3.468 11.604 ( 14.525 0.000 -0.000) 14.525 12.850 ( -10.081 -0.000 0.000) 10.081 14.587 ( -1.260 -0.000 0.000) 1.260 15.459 ( 17.173 0.000 -0.000) 17.173======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( 0.000 18.108 4.682) 18.704 2.362 ( 0.000 14.753 5.319) 15.683 3.577 ( -0.000 9.585 -2.823) 9.992 3.842 ( -0.000 25.158 -6.374) 25.953 4.768 ( 0.000 23.149 -1.495) 23.197 5.791 ( 0.000 3.259 9.066) 9.634 6.177 ( -0.000 -14.698 -1.007) 14.732 6.412 ( -0.000 -2.013 -1.128) 2.308 7.290 ( -0.000 -12.734 2.655) 13.008 8.086 ( 0.000 3.439 2.019) 3.988 8.390 ( 0.000 8.913 1.975) 9.129 9.600 ( -0.000 -2.958 -3.270) 4.410 10.755 ( -0.000 -16.051 -0.874) 16.075 11.539 ( -0.000 -15.482 2.939) 15.759 11.822 ( -0.000 -16.287 -10.223) 19.229 12.548 ( -0.000 -1.480 0.096) 1.484 14.778 ( 0.000 3.790 15.013) 15.484 15.615 ( -0.000 -3.330 -12.887) 13.311======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.527 ( 5.000 16.196 1.639) 17.029 2.629 ( 13.215 12.221 5.203) 18.737 3.684 ( 2.585 9.010 -2.848) 9.797 4.060 ( 8.083 11.729 -12.858) 19.189 5.020 ( 2.858 22.701 3.278) 23.114 5.784 ( 1.669 -14.193 11.686) 18.461 6.088 ( -4.071 2.683 -0.907) 4.959 6.357 ( -3.242 -1.419 0.468) 3.570 7.114 ( -8.924 -5.815 2.777) 11.007 8.143 ( 1.708 4.323 0.547) 4.680 8.485 ( 0.006 6.548 1.403) 6.697 9.512 ( -4.873 -5.513 -5.635) 9.268 10.638 ( 3.539 -13.486 -0.675) 13.959 11.348 ( -4.870 -15.803 5.602) 17.460 11.602 ( -3.760 -12.748 -11.310) 17.452 12.606 ( 7.008 0.603 -0.019) 7.034 14.834 ( -0.870 -0.243 11.716) 11.751 15.521 ( -3.845 -3.269 -8.752) 10.103======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.784 ( 8.386 11.994 1.357) 14.698 3.068 ( 21.501 13.820 3.085) 25.745 3.773 ( -0.001 5.709 -5.465) 7.903 4.283 ( 15.581 4.262 -13.390) 20.981 5.301 ( 3.968 18.580 5.818) 19.870 5.704 ( 6.337 -21.257 9.921) 24.299 6.026 ( -10.449 8.541 0.799) 13.519 6.323 ( -2.217 2.098 5.925) 6.665 6.926 ( -11.148 -0.660 4.522) 12.048 8.227 ( 3.579 3.607 -1.262) 5.235 8.511 ( -2.664 3.553 -0.431) 4.462 9.279 ( -11.433 -7.726 -10.649) 17.430 10.551 ( -2.701 -9.152 0.520) 9.556 11.211 ( 5.589 -13.347 5.713) 15.557 11.387 ( -5.934 -8.103 -9.029) 13.505 12.776 ( 9.544 5.263 -0.529) 10.912 14.820 ( -2.206 -4.389 8.413) 9.742 15.350 ( -8.719 -5.787 -4.836) 11.528======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.045 ( 10.205 8.246 2.066) 13.282 3.598 ( 20.382 17.371 -0.073) 26.781 3.761 ( 0.214 -0.273 -7.286) 7.294 4.575 ( 18.261 4.354 -10.577) 21.548 5.512 ( 3.204 6.124 5.362) 8.748 5.684 ( 8.712 -13.786 8.280) 18.290 5.917 ( -12.753 8.051 2.658) 15.314 6.348 ( -0.685 1.859 10.004) 10.198 6.749 ( -12.238 0.588 4.708) 13.126 8.314 ( 3.515 3.073 -2.468) 5.281 8.469 ( -4.062 0.496 -2.646) 4.873 8.955 ( -12.228 -6.668 -11.831) 18.274 10.401 ( -5.736 -4.976 3.039) 8.179 11.156 ( -3.926 -11.469 -8.869) 15.021 11.314 ( 7.599 -1.311 5.512) 9.479 13.018 ( 10.134 11.059 -0.923) 15.028 14.735 ( -3.979 -7.146 5.922) 10.098 15.092 ( -10.608 -10.520 -2.547) 15.155======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.297 ( 10.835 5.522 2.742) 12.467 3.648 ( -5.459 0.442 -7.908) 9.619 4.152 ( 21.146 15.601 -1.577) 26.326 4.882 ( 14.632 7.548 -9.163) 18.842 5.570 ( 2.633 -4.535 3.398) 6.248 5.736 ( -4.234 -1.083 7.036) 8.283 5.788 ( -2.990 -1.105 5.060) 5.980 6.390 ( 0.753 -0.915 9.124) 9.201 6.542 ( -13.924 -1.131 2.327) 14.162 8.359 ( -6.685 4.542 -3.926) 8.985 8.393 ( 4.373 -2.843 -4.534) 6.911 8.733 ( -4.433 -2.953 -5.000) 7.306 10.314 ( -3.364 -0.427 5.253) 6.252 10.951 ( -5.319 -6.756 -7.881) 11.664 11.450 ( 5.486 0.942 3.224) 6.433 13.319 ( 9.568 17.015 -0.910) 19.542 14.580 ( -10.442 -4.597 3.508) 11.936 14.809 ( -2.720 -19.975 -1.131) 20.191======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.507 ( -2.400 1.482 -0.875) 2.953 3.543 ( 6.205 1.237 -2.128) 6.675 4.577 ( 10.574 15.070 -3.923) 18.822 5.111 ( 2.289 14.338 -9.381) 17.287 5.522 ( -5.838 -2.241 4.788) 7.876 5.631 ( -1.045 -4.937 4.554) 6.797 5.799 ( 4.348 -10.205 7.000) 13.116 6.264 ( -15.365 -1.573 -5.360) 16.349 6.421 ( 2.042 -4.656 7.234) 8.842 8.306 ( -0.821 3.359 -2.266) 4.134 8.445 ( 2.638 0.942 -1.284) 3.082 8.689 ( 2.458 -1.903 -0.779) 3.205 10.277 ( -3.905 -0.403 4.508) 5.978 10.845 ( 0.871 -0.138 -4.792) 4.873 11.512 ( -0.673 1.678 0.800) 1.977 13.626 ( 2.040 21.689 -0.276) 21.787 14.333 ( -10.660 -4.830 0.737) 11.727 14.650 ( 8.735 -23.718 0.034) 25.276======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.371 ( -8.210 -0.551 -2.591) 8.627 3.731 ( 8.767 1.966 1.689) 9.142 4.634 ( -16.880 6.502 -3.476) 18.420 5.213 ( -2.999 19.405 -7.778) 21.120 5.458 ( 0.350 -9.657 5.598) 11.168 5.592 ( -0.379 -1.983 2.094) 2.909 5.808 ( 5.653 -8.160 6.793) 12.029 5.988 ( -11.122 -2.511 -8.269) 14.085 6.438 ( 3.120 -3.760 3.123) 5.799 8.363 ( 1.625 5.873 -0.378) 6.106 8.472 ( 1.252 -2.622 0.525) 2.952 8.778 ( 9.203 0.206 1.275) 9.293 10.205 ( -2.782 -2.344 1.031) 3.781 10.949 ( 7.895 5.734 -0.030) 9.758 11.462 ( -5.633 -0.738 -1.063) 5.780 13.640 ( -18.931 9.750 0.282) 21.296 14.319 ( 8.317 5.178 0.291) 9.802 14.634 ( 14.766 -18.880 -0.666) 23.978======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.212 ( -10.003 -0.000 0.000) 10.003 3.864 ( 4.966 0.000 -0.000) 4.966 4.238 ( -29.486 -0.000 0.000) 29.486 5.220 ( -9.393 -0.000 0.000) 9.393 5.407 ( 1.012 0.000 -0.000) 1.012 5.580 ( -2.104 -0.000 0.000) 2.104 5.821 ( -3.689 -0.000 0.000) 3.689 5.883 ( 5.614 0.000 -0.000) 5.614 6.484 ( 3.986 0.000 -0.000) 3.986 8.432 ( -1.623 -0.000 0.000) 1.623 8.449 ( 2.125 0.000 -0.000) 2.125 8.983 ( 13.341 0.000 -0.000) 13.341 10.195 ( 3.718 0.000 -0.000) 3.718 11.165 ( 11.753 0.000 -0.000) 11.753 11.323 ( -7.938 -0.000 0.000) 7.938 13.344 ( -19.100 -0.000 0.000) 19.100 14.491 ( 6.235 0.000 -0.000) 6.235 14.832 ( 19.532 0.000 -0.000) 19.532======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.622 ( 0.000 9.437 3.115) 9.937 2.638 ( 0.000 13.287 1.682) 13.393 3.725 ( -0.000 7.311 -2.206) 7.637 4.030 ( -0.000 4.543 -15.722) 16.365 5.236 ( 0.000 22.531 5.320) 23.151 5.585 ( 0.000 -24.879 9.808) 26.742 6.248 ( 0.000 14.964 2.242) 15.131 6.363 ( -0.000 -2.007 -1.167) 2.322 7.114 ( -0.000 -6.342 -1.237) 6.462 8.194 ( 0.000 5.626 2.723) 6.251 8.574 ( 0.000 7.785 2.838) 8.286 9.489 ( -0.000 -5.743 -3.687) 6.825 10.447 ( -0.000 -14.205 -1.615) 14.297 11.261 ( 0.000 -16.986 5.328) 17.802 11.489 ( -0.000 -9.040 -10.926) 14.181 12.530 ( 0.000 -0.628 0.419) 0.755 14.852 ( 0.000 -3.484 6.852) 7.687 15.536 ( -0.000 1.193 -4.354) 4.515======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.793 ( 4.039 10.564 0.958) 11.351 2.849 ( 15.661 8.080 2.101) 17.747 3.803 ( 1.144 5.155 -3.511) 6.341 4.054 ( 8.160 0.198 -13.875) 16.098 5.398 ( 3.310 -17.252 6.027) 18.572 5.483 ( 1.986 12.691 7.956) 15.110 6.270 ( -7.226 4.679 0.425) 8.619 6.405 ( -0.796 8.494 3.311) 9.151 7.033 ( -3.339 -3.300 -0.392) 4.711 8.251 ( -0.502 5.345 2.604) 5.967 8.616 ( -3.712 5.387 1.538) 6.721 9.343 ( -8.234 -7.239 -6.588) 12.791 10.403 ( 8.192 -9.724 -0.999) 12.754 11.061 ( -3.876 -16.392 3.280) 17.160 11.370 ( -2.322 -5.026 -6.730) 8.715 12.626 ( 10.486 1.288 0.168) 10.566 14.809 ( -1.793 -6.168 3.284) 7.214 15.480 ( -7.525 1.418 -0.809) 7.700======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.978 ( 7.146 7.266 1.241) 10.266 3.288 ( 25.754 7.685 0.407) 26.880 3.793 ( -2.881 1.260 -7.075) 7.743 4.257 ( 18.040 1.511 -7.533) 19.607 5.328 ( 7.842 -17.809 5.379) 20.189 5.667 ( 0.903 11.971 5.800) 13.333 6.189 ( -8.532 5.148 2.004) 10.165 6.448 ( -4.026 5.898 5.356) 8.927 6.932 ( -6.956 -0.692 1.549) 7.159 8.300 ( 0.083 3.447 2.078) 4.026 8.575 ( -5.699 3.211 -0.905) 6.604 9.055 ( -12.632 -7.493 -9.903) 17.714 10.431 ( 0.713 -3.255 0.738) 3.413 10.925 ( 5.644 -15.221 -0.760) 16.252 11.288 ( -0.763 -1.114 -1.276) 1.858 12.882 ( 15.356 5.523 -0.209) 16.320 14.693 ( -3.701 -9.722 1.558) 10.519 15.300 ( -14.863 0.368 0.724) 14.885======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.179 ( 9.397 4.372 1.292) 10.444 3.683 ( 0.357 -2.102 -5.676) 6.063 3.856 ( 23.930 9.383 -1.001) 25.723 4.591 ( 20.878 2.481 -4.691) 21.542 5.354 ( 10.285 -11.460 3.146) 15.717 5.768 ( -1.091 5.382 4.434) 7.058 6.072 ( -13.203 5.184 2.259) 14.363 6.436 ( -3.294 1.228 5.919) 6.884 6.783 ( -11.914 0.417 2.544) 12.189 8.317 ( -0.451 -1.328 -0.424) 1.465 8.503 ( -5.417 4.780 -3.043) 7.839 8.772 ( -8.527 -5.603 -6.714) 12.214 10.406 ( -2.905 2.821 4.987) 6.424 10.848 ( 1.667 -12.963 -7.466) 15.052 11.357 ( 7.509 1.243 2.755) 8.094 13.231 ( 16.926 10.406 -0.442) 19.874 14.521 ( -3.373 -13.233 0.833) 13.682 15.001 ( -20.402 -0.997 0.884) 20.446======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.383 ( 10.674 1.966 0.964) 10.896 3.593 ( -4.983 -0.924 -3.181) 5.983 4.367 ( 24.473 6.427 -1.188) 25.331 4.946 ( 19.095 2.841 -2.995) 19.537 5.463 ( 10.585 -4.227 1.231) 11.464 5.759 ( -4.447 -0.118 2.494) 5.100 5.844 ( -18.310 1.270 2.222) 18.488 6.412 ( -1.528 -0.787 3.336) 3.753 6.543 ( -17.544 -0.138 0.784) 17.562 8.277 ( 0.826 -2.004 -2.979) 3.684 8.495 ( -2.766 6.318 0.908) 6.957 8.630 ( -0.656 -4.944 -2.971) 5.805 10.409 ( -5.813 4.627 5.978) 9.536 10.738 ( 3.246 -7.607 -6.883) 10.760 11.502 ( 5.411 1.426 1.433) 5.776 13.636 ( 17.014 13.608 -0.403) 21.791 14.354 ( 0.150 -14.672 0.408) 14.679 14.620 ( -22.826 -1.834 0.467) 22.904======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.487 ( -6.554 -0.000 0.000) 6.554 3.575 ( 10.719 0.000 -0.000) 10.719 4.720 ( 11.012 0.000 -0.000) 11.012 5.235 ( 12.832 0.000 -0.000) 12.832 5.525 ( -16.621 -0.000 0.000) 16.621 5.630 ( 9.419 0.000 -0.000) 9.419 5.659 ( -6.417 -0.000 0.000) 6.417 6.229 ( -18.309 -0.000 0.000) 18.309 6.400 ( 0.281 0.000 -0.000) 0.281 8.319 ( 4.850 0.000 -0.000) 4.850 8.482 ( -2.400 -0.000 0.000) 2.400 8.647 ( 5.671 0.000 -0.000) 5.671 10.303 ( -8.426 -0.000 0.000) 8.426 10.811 ( 9.046 0.000 -0.000) 9.046 11.541 ( -2.053 -0.000 0.000) 2.053 13.951 ( -0.074 -0.000 0.000) 0.074 14.282 ( 3.604 0.000 -0.000) 3.604 14.308 ( -4.127 -0.000 0.000) 4.127======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.778 ( 0.000 5.213 1.628) 5.461 2.857 ( 0.000 8.669 0.423) 8.679 3.827 ( -0.000 4.411 -1.433) 4.638 3.926 ( -0.000 -2.903 -13.192) 13.508 5.183 ( 0.000 -19.834 6.249) 20.795 5.653 ( 0.000 15.079 5.245) 15.966 6.325 ( -0.000 -1.243 -0.664) 1.409 6.544 ( 0.000 12.213 2.620) 12.491 7.019 ( -0.000 -2.618 -1.691) 3.117 8.322 ( 0.000 5.079 3.127) 5.964 8.712 ( 0.000 4.538 2.064) 4.985 9.346 ( -0.000 -5.905 -3.865) 7.057 10.205 ( -0.000 -9.303 -1.232) 9.385 10.972 ( -0.000 -13.460 0.897) 13.490 11.329 ( -0.000 -3.259 -4.326) 5.416 12.527 ( 0.000 -0.090 0.352) 0.364 14.784 ( -0.000 -4.729 0.622) 4.769 15.568 ( 0.000 2.083 1.207) 2.408======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.954 ( 5.362 4.327 3.898) 7.916 2.975 ( 14.826 5.263 -2.766) 15.974 3.815 ( -2.007 -0.457 -5.894) 6.243 3.986 ( 11.941 0.512 -4.561) 12.792 5.076 ( 4.875 -14.028 4.308) 15.463 5.789 ( -0.179 9.777 3.689) 10.451 6.296 ( -2.081 0.126 0.471) 2.137 6.615 ( -4.470 7.891 2.341) 9.367 6.984 ( -1.473 -1.239 -0.948) 2.145 8.366 ( -1.163 3.982 3.044) 5.145 8.704 ( -5.379 2.642 1.163) 6.104 9.170 ( -11.274 -5.582 -5.521) 13.739 10.258 ( 12.611 -4.584 -0.727) 13.439 10.807 ( -4.818 -10.051 0.530) 11.159 11.283 ( -0.978 -1.600 -1.962) 2.715 12.652 ( 13.575 1.075 0.159) 13.618 14.704 ( -4.474 -4.608 -0.136) 6.424 15.517 ( -8.569 1.337 1.472) 8.796======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.082 ( 6.441 2.623 0.713) 6.991 3.377 ( 25.819 1.978 -0.601) 25.902 3.763 ( -1.114 0.020 -3.150) 3.342 4.249 ( 19.145 0.705 -1.980) 19.260 5.103 ( 9.061 -6.935 2.006) 11.585 5.855 ( -1.383 4.255 2.020) 4.909 6.258 ( -4.478 1.265 1.091) 4.779 6.568 ( -7.593 2.868 1.896) 8.335 6.928 ( -4.790 -0.198 0.195) 4.798 8.371 ( -3.374 1.711 2.248) 4.400 8.616 ( -6.179 1.405 -0.657) 6.371 8.889 ( -12.965 -3.579 -4.682) 14.242 10.435 ( 7.655 2.347 0.928) 8.060 10.671 ( 0.027 -8.946 -1.363) 9.049 11.277 ( 2.607 -0.114 0.072) 2.610 12.965 ( 20.473 2.571 -0.002) 20.633 14.548 ( -8.344 -4.404 -0.109) 9.436 15.319 ( -16.259 0.427 0.845) 16.286======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.227 ( 9.068 0.000 -0.000) 9.068 3.638 ( -0.036 -0.000 0.000) 0.036 3.944 ( 26.109 0.000 -0.000) 26.109 4.600 ( 21.788 0.000 -0.000) 21.788 5.249 ( 11.425 0.000 -0.000) 11.425 5.837 ( -3.380 -0.000 0.000) 3.380 6.132 ( -12.703 -0.000 0.000) 12.703 6.468 ( -5.014 -0.000 0.000) 5.014 6.797 ( -11.523 -0.000 0.000) 11.523 8.297 ( -4.881 -0.000 0.000) 4.881 8.567 ( -0.725 -0.000 0.000) 0.725 8.671 ( -9.543 -0.000 0.000) 9.543 10.540 ( -1.154 -0.000 0.000) 1.154 10.607 ( 2.032 0.000 -0.000) 2.032 11.380 ( 8.599 0.000 -0.000) 8.599 13.349 ( 22.277 0.000 -0.000) 22.277 14.372 ( -8.285 -0.000 0.000) 8.285 14.999 ( -21.764 -0.000 0.000) 21.764======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.851 ( 0.000 1.659 0.510) 1.736 2.977 ( 0.000 3.264 0.145) 3.268 3.805 ( -0.000 -2.078 -5.054) 5.465 3.877 ( -0.000 1.458 -0.501) 1.542 4.939 ( 0.000 -7.487 2.308) 7.835 5.873 ( 0.000 5.057 1.799) 5.368 6.306 ( -0.000 -0.400 -0.189) 0.442 6.723 ( 0.000 4.494 1.107) 4.628 6.982 ( -0.000 -0.577 -0.752) 0.948 8.414 ( 0.000 2.183 1.691) 2.762 8.777 ( 0.000 1.348 0.683) 1.511 9.235 ( -0.000 -2.705 -1.974) 3.349 10.078 ( -0.000 -3.144 -0.404) 3.170 10.791 ( -0.000 -4.867 -0.171) 4.870 11.276 ( -0.000 -0.832 -0.956) 1.267 12.529 ( 0.000 0.042 0.129) 0.136 14.716 ( -0.000 -1.885 -0.312) 1.910 15.606 ( 0.000 0.770 0.968) 1.236======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.009 ( 17.054 0.000 -0.000) 17.054 3.018 ( 3.035 0.000 -0.000) 3.035 3.776 ( -1.042 -0.000 0.000) 1.042 3.984 ( 11.591 0.000 -0.000) 11.591 4.950 ( 5.135 0.000 -0.000) 5.135 5.896 ( -0.571 -0.000 0.000) 0.571 6.299 ( -0.760 -0.000 0.000) 0.760 6.702 ( -5.188 -0.000 0.000) 5.188 6.970 ( -1.122 -0.000 0.000) 1.122 8.421 ( -0.938 -0.000 0.000) 0.938 8.733 ( -5.758 -0.000 0.000) 5.758 9.089 ( -12.738 -0.000 0.000) 12.738 10.213 ( 14.797 0.000 -0.000) 14.797 10.707 ( -5.918 -0.000 0.000) 5.918 11.263 ( -0.477 -0.000 0.000) 0.477 12.664 ( 14.871 0.000 -0.000) 14.871 14.656 ( -5.754 -0.000 0.000) 5.754 15.537 ( -8.779 -0.000 0.000) 8.779======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.313 ( 0.000 0.000 30.730) 30.730 0.313 ( 0.000 0.000 30.730) 30.730 0.556 ( 0.000 0.000 54.848) 54.848 3.070 ( -0.000 -0.000 -2.027) 2.027 3.070 ( -0.000 -0.000 -2.027) 2.027 5.730 ( -0.000 -0.000 -4.528) 4.528 6.435 ( 0.000 0.000 0.386) 0.386 6.435 ( 0.000 0.000 0.386) 0.386 8.058 ( -0.000 -0.000 -0.813) 0.813 8.058 ( -0.000 -0.000 -0.813) 0.813 9.282 ( -0.000 -0.000 -1.707) 1.707 11.087 ( 0.000 0.000 2.787) 2.787 11.480 ( 0.000 0.000 0.723) 0.723 11.480 ( 0.000 0.000 0.723) 0.723 12.723 ( 0.000 -0.000 -0.452) 0.452 12.723 ( -0.000 -0.000 -0.452) 0.452 12.814 ( -0.000 -0.000 -0.782) 0.782 15.930 ( -0.000 -0.000 -0.311) 0.311======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.727 ( 17.729 10.236 24.167) 31.672 0.728 ( 24.815 14.327 11.654) 30.933 1.380 ( 43.954 25.377 27.138) 57.554 3.120 ( 4.564 2.635 -2.069) 5.662 3.251 ( 16.503 9.528 -3.406) 19.358 5.698 ( -1.087 -0.627 -6.143) 6.270 6.432 ( -0.073 -0.042 -0.030) 0.089 6.625 ( 6.629 3.827 -16.418) 18.114 7.762 ( -23.058 -13.313 -0.294) 26.627 8.096 ( 2.789 1.610 0.286) 3.233 9.007 ( -28.472 -16.438 41.312) 52.797 9.460 ( 4.155 2.399 8.614) 9.860 11.412 ( -5.557 -3.208 -0.206) 6.420 12.489 ( -8.981 -5.185 -15.123) 18.337 12.668 ( -4.936 -2.850 -6.338) 8.524 12.716 ( -0.981 -0.566 0.227) 1.155 13.665 ( 29.219 16.870 -16.071) 37.371 16.120 ( 7.396 4.270 -13.573) 16.037======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 23.201 13.395 13.787) 30.130 1.325 ( 25.001 14.434 5.830) 29.451 2.450 ( 43.544 25.140 19.446) 53.910 3.248 ( 7.165 4.137 -2.281) 8.582 3.725 ( 25.613 14.788 -4.677) 29.943 5.641 ( -2.084 -1.203 -6.605) 7.030 6.432 ( 0.120 0.070 -0.453) 0.474 6.669 ( 3.098 1.789 -14.504) 14.938 7.188 ( -25.858 -14.929 -3.060) 30.015 8.180 ( 4.339 2.505 1.432) 5.211 8.710 ( -12.487 -7.209 22.865) 27.032 9.585 ( 3.329 1.922 -1.482) 4.119 11.239 ( -9.494 -5.481 -1.070) 11.015 12.171 ( -14.979 -8.648 -7.683) 18.926 12.476 ( -9.519 -5.496 -6.582) 12.812 12.683 ( -2.057 -1.188 0.772) 2.498 14.056 ( 12.128 7.002 3.029) 14.328 16.177 ( 1.365 0.788 -6.373) 6.565======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( 24.734 14.280 8.422) 29.776 1.865 ( 21.509 12.418 4.353) 25.215 3.408 ( 7.554 4.361 -2.778) 9.154 3.427 ( 37.967 21.920 15.424) 46.474 4.304 ( 26.546 15.327 -6.247) 31.283 5.565 ( -2.804 -1.619 -4.957) 5.921 6.433 ( 0.110 0.064 -0.721) 0.732 6.617 ( -15.855 -9.154 -12.221) 22.012 6.716 ( -2.218 -1.280 -0.941) 2.728 8.293 ( 5.021 2.899 2.314) 6.243 8.523 ( -10.500 -6.062 15.308) 19.528 9.559 ( -4.693 -2.709 -7.222) 9.029 10.993 ( -11.690 -6.749 -1.635) 13.598 11.796 ( -16.189 -9.347 -4.105) 19.139 12.227 ( -10.309 -5.952 -5.640) 13.172 12.634 ( -2.467 -1.425 1.018) 3.026 14.290 ( 7.945 4.587 5.107) 10.500 16.149 ( -2.521 -1.455 -1.630) 3.336======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.310 ( 16.945 9.783 4.075) 19.986 2.409 ( 24.392 14.083 5.448) 28.687 3.553 ( 6.174 3.564 -3.327) 7.867 4.218 ( 27.740 16.016 9.553) 33.425 4.823 ( 21.055 12.156 -6.827) 25.253 5.491 ( -2.640 -1.524 -1.494) 3.395 6.267 ( -10.166 -5.870 4.149) 12.451 6.430 ( -0.303 -0.175 -0.713) 0.794 6.750 ( 3.709 2.141 -7.512) 8.647 8.337 ( -9.936 -5.737 10.841) 15.784 8.414 ( 4.957 2.862 2.578) 6.278 9.326 ( -12.744 -7.358 -13.011) 19.643 10.719 ( -11.971 -6.911 -1.720) 13.929 11.438 ( -14.566 -8.410 -2.313) 16.978 11.995 ( -8.756 -5.056 -3.655) 10.751 12.585 ( -2.088 -1.205 0.941) 2.588 14.453 ( 5.458 3.151 3.607) 7.261 16.059 ( -5.202 -3.003 1.119) 6.110======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.649 ( 12.117 6.996 3.740) 14.483 2.958 ( 23.240 13.418 3.494) 27.062 3.656 ( 4.033 2.328 -3.392) 5.761 4.644 ( 7.668 4.427 -5.275) 10.306 5.204 ( 13.995 8.080 1.677) 16.247 5.470 ( 2.453 1.416 3.646) 4.617 6.220 ( 2.267 1.309 10.964) 11.272 6.414 ( -0.839 -0.485 -0.523) 1.101 6.816 ( 4.080 2.356 -6.203) 7.789 8.164 ( -7.874 -4.546 7.843) 12.007 8.527 ( 4.300 2.482 2.190) 5.426 8.933 ( -16.982 -9.804 -16.043) 25.336 10.460 ( -10.466 -6.042 -1.368) 12.162 11.138 ( -11.475 -6.625 -1.701) 13.360 11.817 ( -6.241 -3.603 -1.877) 7.447 12.550 ( -1.232 -0.711 0.672) 1.573 14.563 ( 3.645 2.104 1.599) 4.502 15.935 ( -6.132 -3.540 2.253) 7.430======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( 7.069 4.081 2.446) 8.521 3.471 ( 21.726 12.544 1.805) 25.152 3.715 ( 2.254 1.301 -2.319) 3.486 4.565 ( -9.022 -5.209 -13.513) 17.063 5.433 ( 6.515 3.761 5.359) 9.236 5.657 ( 8.679 5.011 9.876) 14.070 6.328 ( 2.751 1.588 5.424) 6.286 6.392 ( -0.933 -0.539 -0.411) 1.153 6.887 ( 3.754 2.168 -3.606) 5.639 8.066 ( -2.464 -1.423 7.119) 7.667 8.512 ( -15.034 -8.680 -12.307) 21.280 8.616 ( 2.969 1.714 1.562) 3.768 10.255 ( -7.262 -4.192 -0.894) 8.432 10.919 ( -7.435 -4.292 -1.714) 8.754 11.702 ( -3.686 -2.128 -1.204) 4.423 12.533 ( -0.479 -0.276 0.378) 0.669 14.631 ( 2.273 1.313 0.222) 2.634 15.813 ( -5.184 -2.993 1.953) 6.296======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.978 ( 1.700 0.982 0.029) 1.964 3.750 ( 1.317 0.761 -0.022) 1.521 3.937 ( 19.485 11.250 -0.526) 22.505 4.240 ( -14.831 -8.563 -13.233) 21.642 5.548 ( 1.523 0.880 2.578) 3.121 5.793 ( 0.240 0.139 5.920) 5.926 6.352 ( -0.236 -0.136 -2.410) 2.425 6.374 ( -0.412 -0.238 -0.502) 0.692 6.950 ( 2.236 1.291 -0.855) 2.720 8.082 ( -1.123 -0.648 0.629) 1.441 8.264 ( -1.885 -1.088 7.310) 7.627 8.665 ( 0.938 0.542 1.112) 1.553 10.140 ( -2.557 -1.476 -0.595) 3.012 10.801 ( -2.441 -1.409 -1.837) 3.364 11.642 ( -1.280 -0.739 -1.558) 2.147 12.528 ( -0.153 -0.088 0.132) 0.221 14.668 ( 1.033 0.596 -0.063) 1.194 15.726 ( -2.705 -1.562 0.379) 3.147======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.953 ( -3.398 -1.962 -2.161) 4.479 3.774 ( 0.372 0.215 2.156) 2.198 3.820 ( -17.846 -10.303 -12.241) 23.968 4.344 ( 16.126 9.310 -2.705) 18.816 5.489 ( -5.698 -3.290 -4.281) 7.850 5.732 ( -5.589 -3.227 -0.649) 6.486 6.320 ( -2.575 -1.487 -2.223) 3.712 6.372 ( 0.418 0.241 -0.701) 0.851 6.975 ( 0.100 0.057 1.082) 1.088 8.005 ( -2.310 -1.334 -0.137) 2.671 8.479 ( 12.348 7.129 20.047) 24.601 8.663 ( -1.491 -0.861 0.869) 1.929 10.142 ( 2.874 1.659 -0.451) 3.349 10.801 ( 3.024 1.746 -1.736) 3.899 11.635 ( 1.259 0.727 -2.352) 2.765 12.525 ( -0.067 -0.039 -0.085) 0.115 14.676 ( -0.477 -0.275 0.687) 0.881 15.700 ( 0.667 0.385 -2.100) 2.237======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.818 ( -7.795 -4.500 -2.785) 9.421 3.358 ( -20.031 -11.565 -9.650) 25.062 3.772 ( -1.526 -0.881 2.930) 3.419 4.611 ( 7.670 4.428 -7.150) 11.383 5.347 ( -4.308 -2.487 -4.479) 6.694 5.560 ( -8.294 -4.788 -2.274) 9.843 6.200 ( -7.209 -4.162 -1.646) 8.486 6.387 ( 1.120 0.647 -0.819) 1.531 6.973 ( -0.829 -0.479 3.746) 3.867 8.005 ( 1.680 0.970 1.999) 2.786 8.605 ( -3.788 -2.187 0.552) 4.409 8.868 ( 15.408 8.896 19.697) 26.543 10.262 ( 7.810 4.509 -0.199) 9.021 10.923 ( 8.154 4.708 -1.106) 9.480 11.687 ( 4.332 2.501 -2.901) 5.783 12.526 ( 0.213 0.123 -0.323) 0.406 14.649 ( -2.451 -1.415 1.947) 3.436 15.742 ( 3.998 2.308 -4.761) 6.631======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.589 ( -11.972 -6.912 -1.869) 13.950 2.860 ( -22.041 -12.726 -6.615) 26.297 3.718 ( -4.175 -2.411 2.424) 5.396 4.537 ( -13.222 -7.634 -9.841) 18.164 5.238 ( -7.354 -4.246 -1.236) 8.581 5.446 ( 0.126 0.073 0.695) 0.710 6.061 ( -1.605 -0.926 -1.491) 2.378 6.413 ( 1.274 0.736 -0.660) 1.612 6.969 ( -1.167 -0.673 7.720) 7.837 8.074 ( 3.876 2.238 -0.772) 4.542 8.502 ( -5.322 -3.073 -0.128) 6.147 9.259 ( 13.565 7.832 14.610) 21.420 10.478 ( 11.187 6.459 0.364) 12.923 11.153 ( 12.439 7.182 0.177) 14.365 11.814 ( 7.958 4.594 -2.651) 9.563 12.536 ( 0.917 0.530 -0.622) 1.229 14.577 ( -4.746 -2.740 3.208) 6.350 15.839 ( 6.221 3.591 -6.902) 9.962======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( -16.500 -9.526 0.122) 19.053 2.327 ( -24.054 -13.887 -3.102) 27.947 3.601 ( -6.691 -3.863 1.240) 7.825 3.999 ( -30.212 -17.443 -8.582) 35.926 4.919 ( -20.436 -11.798 -1.281) 23.632 5.525 ( 4.406 2.544 4.627) 6.877 6.216 ( 15.062 8.696 -1.373) 17.446 6.435 ( 0.782 0.451 -0.178) 0.920 6.985 ( -0.073 -0.042 14.086) 14.086 8.159 ( 4.576 2.642 -6.599) 8.453 8.374 ( -5.705 -3.294 -1.109) 6.680 9.542 ( 7.872 4.545 7.651) 11.881 10.750 ( 12.502 7.218 1.129) 14.480 11.473 ( 15.711 9.070 1.475) 18.201 12.023 ( 11.198 6.465 -1.627) 13.033 12.564 ( 1.827 1.055 -0.975) 2.325 14.457 ( -7.102 -4.100 4.491) 9.350 15.961 ( 6.701 3.869 -8.321) 11.363======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( -25.696 -14.836 1.219) 29.696 1.850 ( -21.414 -12.364 2.881) 24.894 3.181 ( -39.911 -23.043 -6.869) 46.595 3.436 ( -7.991 -4.614 -0.097) 9.228 4.375 ( -26.624 -15.371 -0.305) 30.744 5.632 ( 3.639 2.101 2.736) 5.014 6.445 ( 0.101 0.058 0.383) 0.400 6.591 ( 14.871 8.586 -4.844) 17.842 7.128 ( 9.486 5.477 27.122) 29.251 8.224 ( 4.154 2.398 -13.695) 14.510 8.247 ( -5.045 -2.913 -1.915) 6.132 9.653 ( 0.630 0.364 1.849) 1.987 11.029 ( 11.704 6.758 1.729) 13.625 11.852 ( 17.359 10.022 1.346) 20.090 12.289 ( 12.486 7.209 -0.678) 14.433 12.609 ( 2.447 1.412 -1.269) 3.097 14.292 ( -9.200 -5.312 6.119) 12.260 16.071 ( 5.603 3.235 -9.254) 11.292======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( -26.152 -15.099 7.607) 31.140 1.333 ( -25.981 -15.000 6.575) 30.713 2.194 ( -46.102 -26.617 -3.674) 53.361 3.259 ( -7.224 -4.171 -1.195) 8.427 3.776 ( -25.735 -14.858 -0.056) 29.716 5.701 ( 2.188 1.263 -0.261) 2.539 6.445 ( -0.274 -0.158 0.699) 0.767 6.758 ( 3.592 2.074 -6.933) 8.079 7.620 ( 21.466 12.394 37.837) 45.233 8.142 ( -3.648 -2.106 -2.116) 4.714 8.250 ( 3.700 2.136 -20.350) 20.793 9.592 ( -5.769 -3.331 -1.150) 6.760 11.270 ( 8.949 5.167 1.866) 10.500 12.238 ( 16.503 9.528 -1.222) 19.095 12.553 ( 10.688 6.171 -1.227) 12.403 12.660 ( 2.394 1.382 -1.324) 3.065 14.091 ( -10.662 -6.156 7.025) 14.175 16.144 ( 3.734 2.156 -10.460) 11.314======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 0.000 26.568 19.811) 33.141 0.922 ( 0.000 27.769 19.847) 34.132 1.334 ( 0.000 39.657 30.772) 50.196 3.094 ( -0.000 4.746 -3.758) 6.054 3.261 ( 0.000 19.954 -2.734) 20.140 5.678 ( -0.000 -0.654 -7.439) 7.468 6.448 ( 0.000 0.446 0.859) 0.968 6.580 ( -0.000 7.133 -12.699) 14.565 8.019 ( -0.000 -0.540 -5.331) 5.358 8.056 ( -0.000 1.649 -2.009) 2.599 9.010 ( 0.000 -54.166 44.414) 70.047 9.444 ( 0.000 -0.628 8.342) 8.366 11.447 ( 0.000 -5.057 1.811) 5.372 12.417 ( -0.000 -6.805 -18.870) 20.060 12.680 ( -0.000 -5.412 -3.250) 6.313 12.691 ( -0.000 -2.100 -1.224) 2.431 13.676 ( -0.000 45.273 -14.204) 47.449 15.992 ( -0.000 1.030 -12.916) 12.957======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( 6.500 21.422 21.179) 30.817 1.323 ( 8.804 30.301 9.822) 33.047 2.146 ( 31.797 34.883 20.450) 51.440 3.206 ( 6.173 7.744 -4.078) 10.709 3.562 ( 11.490 23.729 -3.188) 26.556 5.636 ( -1.291 -0.302 -7.972) 8.081 6.437 ( -1.365 -0.052 0.397) 1.422 6.606 ( 1.719 2.620 -11.506) 11.925 7.600 ( -33.351 -5.252 -1.666) 33.803 8.118 ( 3.980 0.005 1.156) 4.144 8.742 ( 1.796 -27.089 25.470) 37.226 9.544 ( 4.337 4.054 -0.705) 5.978 11.328 ( -6.842 -6.378 0.751) 9.384 12.217 ( -6.823 -12.204 -11.147) 17.882 12.521 ( -7.039 -8.888 -4.928) 12.362 12.678 ( 0.540 -2.613 -0.510) 2.717 14.058 ( 5.129 22.215 3.208) 23.024 16.027 ( 8.336 -4.425 -12.057) 15.312======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( 16.564 19.779 13.447) 29.093 1.804 ( 11.927 25.634 6.685) 29.052 3.054 ( 32.278 22.419 12.927) 41.372 3.409 ( 8.439 14.900 -2.051) 17.246 4.046 ( 20.283 21.042 -4.235) 29.532 5.579 ( -2.325 0.227 -6.871) 7.257 6.405 ( -1.083 -2.616 -0.451) 2.867 6.614 ( 1.693 0.857 -10.967) 11.130 7.000 ( -28.900 -5.696 2.688) 29.579 8.203 ( 5.955 -1.654 2.717) 6.751 8.619 ( -2.553 -12.177 13.496) 18.356 9.584 ( -1.970 0.290 -5.544) 5.891 11.119 ( -10.359 -6.583 -0.345) 12.278 11.901 ( -11.806 -13.536 -5.328) 18.735 12.275 ( -7.771 -10.742 -6.406) 14.725 12.656 ( -0.689 -1.271 0.110) 1.450 14.306 ( 2.454 13.039 8.303) 15.652 16.058 ( 5.755 -7.797 -7.272) 12.116======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.205 ( 20.336 18.123 7.766) 28.325 2.247 ( 11.118 21.232 5.503) 24.591 3.486 ( 7.844 6.984 -2.476) 10.791 3.971 ( 26.633 22.394 6.271) 35.357 4.572 ( 21.297 16.205 -3.732) 27.020 5.522 ( -2.797 0.920 -3.998) 4.965 6.330 ( -3.410 -6.152 0.238) 7.038 6.526 ( -10.550 -0.667 -1.656) 10.700 6.695 ( -1.519 -0.717 0.214) 1.693 8.279 ( 4.449 -5.763 4.475) 8.545 8.518 ( -4.201 -2.050 7.216) 8.598 9.429 ( -10.739 -4.220 -11.153) 16.048 10.863 ( -12.253 -5.957 -0.990) 13.660 11.550 ( -12.692 -12.631 -2.367) 18.062 12.032 ( -6.205 -10.151 -5.519) 13.116 12.635 ( -1.913 1.479 0.370) 2.446 14.462 ( 1.112 7.859 7.118) 10.662 16.018 ( 2.044 -10.222 -2.868) 10.812======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( 8.553 16.726 4.922) 19.420 2.743 ( 20.544 17.283 3.704) 27.101 3.632 ( 3.569 6.793 -3.508) 8.437 4.508 ( 15.136 10.990 -6.939) 19.951 5.036 ( 17.721 12.141 3.953) 21.841 5.485 ( -1.478 1.810 0.119) 2.340 6.249 ( -1.014 -0.871 9.097) 9.195 6.409 ( -2.651 -3.164 1.821) 4.512 6.720 ( 4.543 -1.821 -2.916) 5.698 8.231 ( -3.393 -7.175 5.147) 9.460 8.528 ( 1.322 3.654 3.405) 5.167 9.088 ( -16.964 -7.047 -14.961) 23.691 10.602 ( -11.851 -4.360 -1.362) 12.701 11.227 ( -11.394 -10.892 -1.287) 15.815 11.842 ( -4.105 -8.028 -3.584) 9.703 12.627 ( -3.072 5.208 0.387) 6.059 14.551 ( 0.896 3.435 4.331) 5.600 15.918 ( -0.268 -11.664 -0.099) 11.668======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.884 ( 4.131 13.794 3.652) 14.855 3.244 ( 19.763 13.918 0.306) 24.174 3.728 ( 1.601 7.298 -2.518) 7.885 4.614 ( -3.698 2.399 -17.081) 17.641 5.376 ( 8.253 5.775 7.280) 12.429 5.589 ( 8.686 5.357 9.323) 13.822 6.311 ( 2.417 -0.061 6.708) 7.131 6.356 ( 0.396 -4.970 1.941) 5.351 6.779 ( 6.379 -3.377 -1.339) 7.340 8.124 ( -3.991 -2.802 4.004) 6.309 8.605 ( 1.649 2.335 -0.512) 2.904 8.680 ( -16.435 -5.193 -9.602) 19.730 10.387 ( -9.938 -0.633 -1.438) 10.061 10.954 ( -8.185 -10.289 -1.155) 13.199 11.713 ( -2.390 -5.437 -2.384) 6.400 12.635 ( -4.420 8.955 0.318) 9.992 14.595 ( 1.655 -0.510 1.794) 2.494 15.795 ( -0.658 -11.826 1.000) 11.887======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.037 ( -1.198 10.725 1.044) 10.842 3.622 ( 12.700 2.612 -2.576) 13.220 3.871 ( 6.479 15.448 -0.408) 16.757 4.401 ( -14.562 0.539 -16.815) 22.250 5.534 ( 3.884 2.692 5.087) 6.943 5.789 ( 3.763 0.564 10.349) 11.026 6.304 ( 1.902 -6.685 0.683) 6.984 6.343 ( 0.181 -2.213 -3.316) 3.991 6.855 ( 6.575 -4.324 1.459) 8.003 8.097 ( -0.183 0.492 3.341) 3.382 8.370 ( -9.273 -0.951 -2.308) 9.603 8.681 ( 0.799 2.935 3.902) 4.948 10.255 ( -7.705 4.972 -1.072) 9.233 10.757 ( -2.327 -10.393 -1.526) 10.759 11.636 ( -0.921 -3.272 -2.373) 4.146 12.649 ( -5.979 11.555 0.249) 13.012 14.615 ( 2.807 -3.420 0.354) 4.438 15.685 ( 0.653 -10.824 0.594) 10.860======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.059 ( -6.238 7.239 -1.748) 9.714 3.722 ( 2.334 -2.627 -1.675) 3.893 4.070 ( -17.800 1.232 -12.001) 21.504 4.210 ( 11.643 17.162 -4.052) 21.131 5.551 ( -4.829 -0.860 -1.337) 5.084 5.771 ( -3.614 -4.406 1.285) 5.842 6.288 ( 3.264 -6.324 1.479) 7.269 6.310 ( 1.068 -4.273 -3.634) 5.710 6.907 ( 4.521 -5.791 2.349) 7.713 8.070 ( -4.065 1.643 0.534) 4.417 8.408 ( 7.636 4.073 11.473) 14.371 8.725 ( -0.903 3.840 6.086) 7.253 10.219 ( -4.977 10.027 -0.319) 11.198 10.678 ( 5.156 -9.106 -2.039) 10.661 11.602 ( 0.909 -1.783 -3.130) 3.715 12.655 ( -7.224 12.255 0.162) 14.227 14.628 ( 3.265 -4.671 0.310) 5.708 15.619 ( 3.230 -9.078 -1.067) 9.694======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.966 ( -10.166 4.168 -2.811) 11.341 3.554 ( -16.369 -5.643 -9.954) 19.972 3.862 ( -6.690 4.621 0.675) 8.159 4.518 ( 8.925 12.169 -7.930) 17.048 5.404 ( -6.813 -0.869 -6.329) 9.340 5.638 ( -6.954 -5.126 -1.554) 8.778 6.235 ( -3.192 -7.191 0.508) 7.884 6.297 ( 4.883 -6.819 0.203) 8.390 6.917 ( 3.348 -7.189 3.399) 8.628 8.054 ( -2.152 4.806 3.128) 6.125 8.586 ( 3.976 -1.933 2.578) 5.118 8.851 ( 6.593 10.323 16.941) 20.905 10.277 ( -0.616 11.452 0.293) 11.472 10.745 ( 11.448 -4.642 -1.863) 12.493 11.614 ( 3.689 -0.752 -4.022) 5.509 12.645 ( -7.397 11.096 0.026) 13.336 14.633 ( 1.974 -4.296 1.487) 4.956 15.615 ( 6.522 -6.966 -3.515) 10.169======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.786 ( -13.681 1.924 -2.044) 13.966 3.123 ( -23.446 -5.130 -8.245) 25.377 3.811 ( -5.646 2.117 2.209) 6.422 4.627 ( -4.097 3.806 -10.700) 12.073 5.310 ( -4.716 -0.124 -0.844) 4.793 5.468 ( -4.477 -1.614 -3.547) 5.935 6.084 ( -4.579 -7.469 1.776) 8.940 6.324 ( 5.647 -5.921 -0.470) 8.196 6.913 ( 3.664 -8.514 5.370) 10.712 8.097 ( -0.764 6.245 2.377) 6.725 8.556 ( -3.331 -2.509 0.268) 4.179 9.183 ( 11.935 9.587 15.043) 21.463 10.420 ( 5.138 9.905 0.500) 11.170 10.949 ( 15.099 0.785 -0.532) 15.129 11.692 ( 7.699 0.299 -4.413) 8.879 12.626 ( -6.134 8.776 -0.160) 10.709 14.614 ( -1.129 -3.163 3.275) 4.691 15.678 ( 9.468 -4.653 -5.959) 12.116======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( -17.580 0.064 -0.243) 17.581 2.628 ( -26.422 -5.962 -4.372) 27.437 3.709 ( -8.231 -0.771 1.110) 8.341 4.336 ( -24.729 -5.181 -7.758) 26.431 5.111 ( -14.702 -6.816 -4.205) 16.742 5.498 ( 3.547 2.109 5.731) 7.062 6.075 ( 8.630 3.572 -0.602) 9.359 6.366 ( 5.456 -4.150 -0.951) 6.920 6.919 ( 5.281 -9.767 8.477) 13.969 8.146 ( -0.816 5.088 -0.986) 5.246 8.459 ( -5.505 -0.965 -0.375) 5.602 9.483 ( 9.042 6.280 8.274) 13.772 10.639 ( 9.899 8.149 0.736) 12.843 11.247 ( 17.494 3.517 1.047) 17.875 11.854 ( 12.146 1.709 -3.981) 12.896 12.613 ( -3.762 6.122 -0.393) 7.196 14.551 ( -5.003 -2.289 5.072) 7.483 15.794 ( 10.671 -2.255 -7.649) 13.322======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.092 ( -27.729 -8.391 -0.236) 28.972 2.198 ( -22.995 -0.046 2.458) 23.126 3.489 ( -17.215 -9.241 -1.000) 19.564 3.754 ( -31.729 -1.015 -3.301) 31.916 4.673 ( -24.341 -10.976 -2.632) 26.831 5.595 ( 3.767 0.818 4.372) 5.829 6.359 ( 10.409 1.720 0.641) 10.570 6.452 ( 10.607 7.472 -3.891) 13.545 6.987 ( 11.779 -10.214 14.342) 21.184 8.141 ( -2.040 -0.008 -4.186) 4.657 8.377 ( -4.935 3.900 -1.814) 6.546 9.646 ( 3.183 2.403 2.117) 4.515 10.898 ( 11.826 6.203 1.048) 13.395 11.600 ( 19.742 3.461 1.259) 20.082 12.096 ( 14.982 2.782 -3.234) 15.577 12.618 ( -1.093 3.704 -0.629) 3.913 14.435 ( -8.576 -2.262 6.676) 11.101 15.929 ( 9.499 0.182 -8.370) 12.662======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( -28.800 -8.405 5.394) 30.482 1.775 ( -28.015 -1.562 4.422) 28.404 2.807 ( -44.901 -9.287 1.189) 45.867 3.426 ( -13.855 2.229 -1.619) 14.126 4.115 ( -28.357 -8.936 -1.459) 29.767 5.663 ( 2.982 -0.008 -0.140) 2.985 6.421 ( 2.336 -1.723 0.425) 2.934 6.695 ( 5.447 5.843 -7.173) 10.736 7.295 ( 27.830 -8.905 16.633) 33.623 8.074 ( -2.179 -1.128 -2.446) 3.464 8.361 ( -3.113 8.266 -1.666) 8.989 9.656 ( -3.129 -0.099 -1.241) 3.368 11.143 ( 11.177 2.861 1.066) 11.587 11.972 ( 20.582 2.370 -0.926) 20.739 12.364 ( 14.682 2.028 -3.392) 15.204 12.643 ( 1.024 1.886 -0.693) 2.255 14.264 ( -11.360 -3.320 7.322) 13.917 16.051 ( 6.439 2.964 -8.363) 10.963======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 0.000 22.487 18.269) 28.973 1.554 ( 0.000 24.879 13.944) 28.520 2.328 ( 0.000 44.802 15.260) 47.330 3.199 ( -0.000 8.849 -4.620) 9.982 3.735 ( 0.000 28.897 -3.131) 29.066 5.625 ( -0.000 1.149 -7.752) 7.837 6.457 ( 0.000 -0.130 0.487) 0.504 6.573 ( -0.000 0.119 -8.468) 8.469 7.929 ( -0.000 -4.738 -11.936) 12.842 8.104 ( -0.000 4.758 -1.414) 4.963 8.399 ( 0.000 -36.004 34.311) 49.735 9.548 ( -0.000 5.675 -2.393) 6.159 11.306 ( -0.000 -10.660 1.452) 10.758 12.114 ( -0.000 -12.814 -10.132) 16.336 12.476 ( -0.000 -12.894 -4.008) 13.502 12.635 ( -0.000 -2.609 -1.020) 2.801 14.275 ( 0.000 22.259 8.832) 23.947 15.850 ( -0.000 -4.786 -14.854) 15.606======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 4.122 21.230 14.882) 26.252 1.924 ( 8.425 23.946 9.956) 27.267 2.941 ( 16.434 34.634 9.565) 39.511 3.363 ( 9.574 11.881 -4.497) 15.908 4.058 ( 6.604 27.768 -2.577) 28.659 5.607 ( -1.739 3.195 -6.186) 7.176 6.426 ( -2.854 -1.346 0.123) 3.158 6.546 ( 1.498 -3.413 -6.148) 7.190 7.471 ( -30.435 -8.784 1.183) 31.699 8.111 ( 2.733 -2.230 3.433) 4.922 8.445 ( 11.473 -13.588 10.539) 20.672 9.592 ( 0.126 2.312 -4.476) 5.040 11.162 ( -4.099 -11.247 0.684) 11.991 11.904 ( -6.425 -13.661 -5.697) 16.135 12.251 ( -6.744 -14.991 -5.775) 17.423 12.629 ( 1.744 -1.801 -0.645) 2.588 14.489 ( -1.469 15.840 13.157) 20.644 15.817 ( 7.172 -7.789 -13.306) 17.005======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.138 ( 12.607 19.437 9.219) 24.934 2.334 ( 9.407 23.171 7.758) 26.183 3.413 ( 9.556 12.671 -0.707) 15.886 3.789 ( 21.624 21.554 -2.371) 30.623 4.465 ( 12.606 22.934 0.367) 26.173 5.589 ( -3.409 5.290 -3.639) 7.269 6.347 ( -3.861 -2.912 0.932) 4.925 6.507 ( 2.038 -8.260 -3.039) 9.034 6.959 ( -23.389 -2.716 6.982) 24.560 8.167 ( 4.917 -2.837 2.043) 6.033 8.496 ( 3.559 -5.462 3.569) 7.432 9.517 ( -7.220 -2.333 -8.943) 11.728 10.966 ( -7.625 -9.472 0.350) 12.165 11.616 ( -10.248 -12.567 -1.442) 16.280 11.978 ( -4.928 -14.932 -7.116) 17.259 12.650 ( 1.568 0.923 -0.478) 1.881 14.617 ( -3.791 10.891 12.095) 16.711 15.804 ( 6.502 -12.228 -8.463) 16.230======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.574 ( 15.100 15.191 5.391) 22.087 2.740 ( 9.119 24.352 5.396) 26.557 3.618 ( 5.368 7.855 -3.711) 10.213 4.303 ( 19.239 13.323 -10.856) 25.797 4.914 ( 15.339 17.744 7.017) 24.482 5.567 ( -4.689 5.903 -1.397) 7.668 6.281 ( -1.629 -1.427 5.656) 6.056 6.420 ( -0.544 -11.842 4.164) 12.565 6.709 ( -8.496 0.382 5.044) 9.888 8.205 ( 1.398 -2.162 0.339) 2.596 8.517 ( 2.632 -1.383 1.402) 3.287 9.248 ( -14.748 -5.733 -13.629) 20.884 10.727 ( -10.015 -8.238 0.030) 12.968 11.331 ( -11.606 -7.876 -0.099) 14.026 11.769 ( -1.142 -12.918 -5.373) 14.037 12.699 ( 1.081 5.072 -0.448) 5.206 14.657 ( -5.271 6.218 8.597) 11.847 15.735 ( 4.249 -15.957 -3.943) 16.977======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.942 ( 10.177 12.468 5.634) 17.052 3.144 ( 10.128 22.317 -0.997) 24.528 3.747 ( 4.010 6.905 -3.447) 8.697 4.583 ( 7.317 7.958 -17.766) 20.796 5.326 ( 11.061 10.867 11.072) 19.054 5.567 ( 0.486 5.178 3.233) 6.124 6.267 ( 0.238 -8.364 4.090) 9.313 6.358 ( 0.047 -1.761 11.521) 11.654 6.651 ( 1.301 -4.371 2.596) 5.248 8.175 ( -3.036 0.297 -0.961) 3.198 8.566 ( 3.594 -1.105 -1.325) 3.987 8.873 ( -16.095 -4.894 -11.773) 20.533 10.503 ( -7.576 -5.892 -0.510) 9.611 11.062 ( -13.445 -4.583 -0.180) 14.205 11.650 ( 0.864 -8.832 -3.231) 9.444 12.781 ( -0.213 10.308 -0.345) 10.316 14.626 ( -4.890 0.912 4.818) 6.925 15.622 ( 3.330 -18.031 -1.065) 18.366======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.185 ( 1.319 13.273 4.167) 13.974 3.456 ( 9.634 8.889 -6.466) 14.616 3.913 ( 6.245 13.359 -1.367) 14.810 4.594 ( -7.895 9.395 -17.897) 21.700 5.516 ( 3.163 3.389 7.462) 8.785 5.739 ( 7.819 1.672 10.547) 13.235 6.195 ( 1.752 -10.678 4.599) 11.758 6.344 ( -4.355 -1.313 -1.309) 4.733 6.685 ( 7.290 -7.414 6.354) 12.186 8.137 ( -2.262 2.708 0.450) 3.556 8.485 ( -7.471 -2.447 -12.413) 14.693 8.706 ( -0.020 0.938 5.963) 6.036 10.377 ( -2.718 -1.075 -0.928) 3.067 10.797 ( -12.902 -3.616 -0.115) 13.400 11.589 ( 0.746 -5.065 -2.723) 5.799 12.879 ( -3.409 15.543 -0.052) 15.913 14.558 ( -1.920 -4.493 1.891) 5.239 15.503 ( 4.012 -18.260 0.033) 18.695======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.256 ( -6.626 10.075 -1.368) 12.136 3.623 ( 7.500 0.928 -2.840) 8.073 4.167 ( 4.621 14.643 -5.744) 16.394 4.440 ( -14.646 15.346 -11.981) 24.363 5.594 ( 0.546 0.114 3.997) 4.036 5.792 ( -2.996 -5.295 4.195) 7.390 6.160 ( 2.649 -9.422 6.246) 11.610 6.232 ( -0.332 -4.936 -8.205) 9.581 6.751 ( 6.647 -8.983 6.422) 12.889 8.148 ( -1.702 3.291 2.145) 4.281 8.396 ( 0.835 3.914 -2.307) 4.620 8.764 ( 2.233 0.973 7.593) 7.974 10.389 ( 2.421 4.625 -0.710) 5.269 10.574 ( -9.465 -2.730 0.044) 9.851 11.552 ( 0.697 -3.141 -3.452) 4.719 12.950 ( -8.223 18.395 0.287) 20.151 14.506 ( 2.799 -7.676 0.449) 8.183 15.412 ( 5.834 -17.111 -0.414) 18.083======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.177 ( -9.726 5.026 -3.669) 11.546 3.692 ( -2.545 3.196 -2.089) 4.589 4.087 ( -15.076 5.773 -8.169) 18.092 4.542 ( 2.797 20.776 -7.442) 22.246 5.513 ( -8.484 -0.337 -4.540) 9.628 5.674 ( -3.718 -5.156 -0.318) 6.365 6.122 ( 3.329 -10.384 0.665) 10.925 6.186 ( 1.748 -8.708 2.893) 9.341 6.773 ( 4.974 -10.359 5.445) 12.716 8.159 ( -2.362 5.929 2.079) 6.712 8.509 ( 5.345 2.230 1.215) 5.918 8.872 ( 5.734 3.654 11.176) 13.082 10.438 ( -1.560 -5.190 -0.112) 5.420 10.538 ( 4.359 13.368 0.503) 14.069 11.530 ( 2.082 -2.953 -4.643) 5.883 12.952 ( -11.918 16.614 0.363) 20.450 14.514 ( 5.873 -6.400 0.798) 8.723 15.371 ( 8.530 -15.019 -1.989) 17.386======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.017 ( -11.792 1.833 -2.971) 12.298 3.507 ( -23.013 6.767 -5.964) 24.718 3.934 ( -5.877 1.570 -0.215) 6.087 4.712 ( -1.191 14.574 -10.858) 18.214 5.394 ( -4.574 2.701 -1.694) 5.576 5.535 ( -6.836 -3.339 -3.071) 8.204 6.043 ( -0.409 -12.062 0.993) 12.109 6.157 ( 4.539 -8.718 4.167) 10.676 6.764 ( 4.329 -10.939 5.386) 12.939 8.200 ( -1.761 7.756 1.829) 8.161 8.557 ( 0.337 -1.978 0.097) 2.009 9.114 ( 11.502 6.072 10.823) 16.920 10.423 ( 4.219 -2.220 0.156) 4.770 10.784 ( 7.728 14.337 1.633) 16.369 11.543 ( 5.731 -3.513 -5.547) 8.716 12.884 ( -12.064 11.534 0.152) 16.691 14.568 ( 4.307 -2.714 2.583) 5.709 15.401 ( 11.840 -11.588 -4.040) 17.052======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.795 ( -14.786 -0.399 -1.536) 14.871 3.094 ( -29.640 5.390 -3.239) 30.300 3.843 ( -6.970 -0.309 0.331) 6.984 4.651 ( -15.394 6.338 -8.923) 18.888 5.269 ( -11.624 -3.166 -2.829) 12.375 5.492 ( 1.781 2.916 4.297) 5.490 5.969 ( 4.718 -3.542 -0.159) 5.901 6.191 ( 7.284 -7.159 1.589) 10.336 6.749 ( 4.546 -10.995 5.818) 13.245 8.243 ( -2.756 6.991 0.325) 7.522 8.511 ( -2.484 -2.483 -0.087) 3.513 9.391 ( 11.241 4.087 5.246) 13.061 10.537 ( 9.832 0.551 0.528) 9.862 11.063 ( 9.770 10.671 2.234) 14.639 11.635 ( 11.331 -2.424 -5.348) 12.762 12.788 ( -9.328 6.411 -0.119) 11.320 14.599 ( -0.460 -0.932 4.428) 4.548 15.519 ( 14.197 -6.156 -5.249) 16.340======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.479 ( -22.349 -1.823 -0.827) 22.439 2.637 ( -27.833 2.859 1.625) 28.027 3.678 ( -11.731 -1.897 -0.458) 11.892 4.281 ( -29.444 2.781 -2.836) 29.711 4.955 ( -19.511 -4.503 -4.528) 20.530 5.557 ( 2.442 -1.230 6.691) 7.228 6.194 ( 14.923 7.629 0.362) 16.764 6.277 ( 11.094 -2.880 -1.921) 11.622 6.747 ( 5.858 -11.347 6.528) 14.342 8.222 ( -5.380 2.664 -1.336) 6.150 8.456 ( -2.273 0.681 -0.133) 2.377 9.580 ( 7.395 0.504 -0.517) 7.430 10.745 ( 12.359 1.936 0.549) 12.522 11.333 ( 14.252 3.186 1.609) 14.692 11.841 ( 15.369 0.738 -4.216) 15.954 12.705 ( -5.480 2.679 -0.308) 6.108 14.555 ( -5.198 -1.683 5.298) 7.611 15.710 ( 13.628 -0.080 -4.724) 14.423======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( -29.832 0.398 2.788) 29.964 2.221 ( -25.367 -1.321 2.974) 25.575 3.388 ( -23.851 1.422 1.858) 23.965 3.787 ( -28.782 2.291 0.597) 28.879 4.528 ( -26.137 0.001 -3.392) 26.356 5.602 ( 3.169 -1.860 0.874) 3.777 6.340 ( 5.728 -0.993 -0.013) 5.814 6.620 ( 13.244 10.439 -7.849) 18.600 6.796 ( 15.666 -16.124 8.811) 24.146 8.144 ( -4.307 2.126 0.363) 4.817 8.444 ( -1.239 2.069 1.469) 2.824 9.649 ( 2.736 -1.763 -3.616) 4.865 10.961 ( 11.956 -0.793 0.113) 11.983 11.631 ( 19.486 -0.831 -0.234) 19.505 12.105 ( 15.740 1.183 -4.076) 16.303 12.658 ( -1.693 0.330 -0.241) 1.741 14.430 ( -9.002 -3.115 5.359) 10.930 15.925 ( 10.544 4.491 -3.226) 11.905======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 0.000 18.695 13.990) 23.350 2.058 ( 0.000 18.975 9.297) 21.130 3.211 ( 0.000 37.739 3.847) 37.934 3.363 ( -0.000 10.819 -4.461) 11.703 4.272 ( 0.000 27.465 -2.225) 27.555 5.656 ( -0.000 7.146 -3.700) 8.047 6.443 ( -0.000 -1.384 -0.521) 1.479 6.457 ( -0.000 -9.024 -2.523) 9.370 7.623 ( -0.000 -18.161 -4.706) 18.761 8.131 ( 0.000 -10.286 15.013) 18.198 8.226 ( 0.000 8.057 0.733) 8.091 9.599 ( -0.000 1.652 -4.212) 4.525 11.059 ( -0.000 -14.998 -0.077) 14.998 11.811 ( -0.000 -12.961 -4.387) 13.683 12.139 ( -0.000 -18.023 -5.876) 18.957 12.584 ( -0.000 -2.127 -0.137) 2.132 14.695 ( 0.000 11.833 17.364) 21.013 15.642 ( -0.000 -4.939 -16.301) 17.033======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 4.052 17.700 9.320) 20.410 2.378 ( 11.041 16.545 8.696) 21.708 3.454 ( 1.837 14.643 -3.022) 15.064 3.676 ( 13.752 22.462 -5.517) 26.909 4.565 ( 4.777 25.183 1.365) 25.669 5.714 ( -2.796 10.685 -0.740) 11.070 6.351 ( 1.383 -14.393 0.919) 14.489 6.395 ( -3.005 -2.634 -0.067) 3.996 7.286 ( -16.792 -10.523 2.583) 19.984 8.097 ( 1.236 -0.527 3.052) 3.334 8.388 ( 5.869 2.286 1.935) 6.589 9.562 ( -3.611 -1.734 -6.529) 7.660 10.911 ( -0.063 -14.275 -0.273) 14.278 11.629 ( -5.767 -12.324 -0.287) 13.610 11.878 ( -5.284 -18.148 -7.946) 20.504 12.604 ( 3.687 -0.460 -0.150) 3.718 14.823 ( -2.725 7.327 16.743) 18.478 15.577 ( 3.357 -6.510 -13.544) 15.398======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 10.222 15.364 5.441) 19.239 2.783 ( 14.121 17.694 7.223) 23.763 3.606 ( 3.224 9.397 -4.817) 11.041 4.077 ( 17.015 12.561 -12.250) 24.440 4.926 ( 8.892 21.820 6.560) 24.458 5.750 ( -6.393 11.697 0.582) 13.343 6.231 ( 3.016 -19.530 4.581) 20.286 6.330 ( -2.171 -1.003 4.407) 5.014 6.966 ( -15.572 -1.648 6.098) 16.804 8.154 ( 3.583 1.745 -1.595) 4.293 8.464 ( 1.749 0.650 -0.015) 1.866 9.371 ( -11.290 -5.539 -11.394) 16.970 10.760 ( -4.253 -11.502 0.458) 12.272 11.418 ( -6.477 -8.176 2.531) 10.733 11.616 ( -1.780 -16.636 -8.088) 18.584 12.688 ( 4.700 3.390 -0.588) 5.825 14.859 ( -5.798 4.339 13.044) 14.920 15.503 ( 2.329 -11.739 -8.550) 14.708======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.863 ( 12.189 11.401 3.894) 17.138 3.222 ( 11.784 21.639 3.391) 24.872 3.704 ( 3.872 3.842 -6.312) 8.342 4.408 ( 15.594 8.361 -14.311) 22.757 5.299 ( 10.005 15.008 9.146) 20.224 5.727 ( -8.674 9.902 1.227) 13.221 6.116 ( 4.126 -20.142 6.872) 21.679 6.355 ( 2.005 0.650 10.463) 10.673 6.757 ( -11.757 0.417 5.654) 13.052 8.214 ( 0.705 3.931 -3.797) 5.510 8.483 ( 1.917 -1.814 -1.874) 3.237 9.036 ( -14.784 -6.261 -13.291) 20.843 10.553 ( -7.391 -9.214 1.358) 11.890 11.242 ( -10.481 -2.648 -1.679) 10.940 11.484 ( 5.517 -12.448 -2.131) 13.782 12.824 ( 5.106 8.341 -0.913) 9.822 14.799 ( -9.253 1.864 8.685) 12.827 15.373 ( 2.214 -17.596 -4.330) 18.256======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.174 ( 11.717 8.309 3.936) 14.893 3.502 ( -1.564 13.711 -6.327) 15.181 3.872 ( 12.668 10.383 -1.907) 16.490 4.654 ( 7.487 11.055 -14.276) 19.547 5.562 ( 2.986 5.783 8.734) 10.892 5.699 ( -1.808 4.804 4.820) 7.041 6.036 ( 4.982 -16.124 6.791) 18.192 6.427 ( -0.879 0.067 8.051) 8.099 6.602 ( -5.978 -3.550 5.263) 8.720 8.225 ( -3.226 5.828 -3.008) 7.309 8.459 ( 0.341 -4.930 -9.293) 10.525 8.763 ( -6.549 -2.039 -3.609) 7.750 10.388 ( -3.997 -5.221 2.339) 6.979 11.010 ( -12.396 -2.072 -3.532) 13.054 11.493 ( 4.350 -4.795 -0.208) 6.478 13.013 ( 4.539 14.003 -0.836) 14.744 14.648 ( -10.934 -1.814 4.566) 11.987 15.225 ( 4.372 -21.545 -1.488) 22.034======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.419 ( 1.780 7.703 3.187) 8.524 3.501 ( 2.749 2.270 -7.938) 8.702 4.215 ( 8.861 18.685 -3.875) 21.039 4.755 ( -6.124 16.959 -12.735) 22.075 5.593 ( -0.819 -1.021 7.117) 7.237 5.756 ( 2.202 -5.409 5.984) 8.362 6.026 ( 5.947 -10.369 6.812) 13.758 6.277 ( -12.696 -2.198 -5.183) 13.888 6.586 ( 4.791 -8.223 8.979) 13.084 8.220 ( -2.264 4.649 0.425) 5.188 8.398 ( 0.856 1.306 -8.564) 8.705 8.731 ( 2.415 -1.807 3.197) 4.395 10.332 ( 0.126 -2.977 3.370) 4.498 10.798 ( -10.321 2.456 -3.333) 11.121 11.506 ( 0.752 -1.387 -1.263) 2.021 13.220 ( -0.152 19.546 -0.248) 19.549 14.457 ( -6.867 -6.757 1.594) 9.764 15.104 ( 7.159 -22.409 -0.400) 23.528======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.347 ( -8.147 2.178 -4.727) 9.667 3.673 ( 7.955 4.255 1.100) 9.089 4.382 ( -9.669 14.521 -9.748) 19.985 4.771 ( -6.318 22.339 -7.315) 24.340 5.589 ( -0.701 -3.508 4.458) 5.716 5.682 ( -4.107 -5.447 -1.315) 6.947 6.042 ( 1.404 -9.569 11.666) 15.154 6.048 ( -2.752 -7.572 -7.943) 11.313 6.605 ( 4.836 -10.127 6.617) 13.028 8.247 ( -0.721 5.434 0.736) 5.530 8.460 ( 3.925 3.494 -1.337) 5.422 8.799 ( 6.693 -1.576 4.052) 7.982 10.309 ( 0.769 -6.919 2.410) 7.367 10.749 ( -2.654 13.134 -0.741) 13.420 11.479 ( -1.243 -1.707 -2.961) 3.637 13.331 ( -10.815 19.613 0.414) 22.401 14.356 ( 3.841 -6.872 0.407) 7.883 15.034 ( 9.967 -20.921 -0.816) 23.188======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.199 ( -9.742 0.988 -2.869) 10.204 3.807 ( 0.582 6.212 0.849) 6.297 4.149 ( -22.379 6.262 -7.867) 24.534 4.896 ( -3.784 20.731 -9.065) 22.940 5.500 ( -5.580 0.402 0.102) 5.596 5.587 ( -3.458 -2.508 -1.915) 4.682 5.917 ( 0.008 -10.866 -0.356) 10.872 6.029 ( 3.285 -9.962 8.888) 13.749 6.604 ( 4.472 -9.924 5.057) 12.002 8.301 ( -0.689 7.416 0.308) 7.454 8.521 ( 1.672 -1.661 0.187) 2.364 8.973 ( 12.202 1.149 3.541) 12.757 10.272 ( 3.893 -7.160 0.774) 8.187 10.923 ( 2.523 18.898 2.677) 19.253 11.419 ( 0.186 -5.324 -4.721) 7.118 13.237 ( -16.657 10.966 0.206) 19.944 14.449 ( 8.603 0.218 1.627) 8.758 15.040 ( 13.521 -16.489 -2.106) 21.428======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.018 ( -12.178 0.805 -0.654) 12.222 3.662 ( -29.860 8.667 -2.129) 31.165 3.907 ( -2.235 -2.471 -2.007) 3.889 4.923 ( -9.822 13.224 -9.814) 19.175 5.410 ( -8.305 -3.444 1.698) 9.150 5.529 ( -0.874 3.642 2.335) 4.414 5.842 ( 3.540 -6.412 -0.773) 7.365 6.041 ( 4.361 -6.144 7.207) 10.426 6.604 ( 4.053 -7.684 3.863) 9.508 8.353 ( -2.081 6.599 -0.229) 6.923 8.499 ( -0.125 -3.942 -0.168) 3.948 9.210 ( 13.502 -0.054 -0.850) 13.529 10.336 ( 9.871 -3.448 0.712) 10.480 11.145 ( -0.412 15.333 4.304) 15.931 11.396 ( 9.306 -7.001 -5.729) 12.978 13.039 ( -14.506 3.937 -0.234) 15.032 14.579 ( 3.944 0.553 3.154) 5.080 15.178 ( 17.246 -6.285 -2.632) 18.544======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.795 ( -16.021 1.315 0.914) 16.101 3.171 ( -31.771 1.001 0.260) 31.788 3.823 ( -6.814 -0.202 -1.546) 6.990 4.736 ( -20.361 5.340 -3.642) 21.363 5.198 ( -13.400 -0.028 -4.419) 14.110 5.543 ( -0.450 -3.546 8.581) 9.295 5.995 ( 14.095 5.391 0.881) 15.117 6.106 ( 6.251 -2.342 3.952) 7.757 6.620 ( 3.343 -3.850 2.285) 5.588 8.321 ( -4.750 -0.505 -1.951) 5.160 8.478 ( -0.356 0.703 0.630) 1.009 9.392 ( 11.663 -3.798 -6.267) 13.774 10.526 ( 13.448 -0.345 0.422) 13.459 11.211 ( 3.585 -2.182 1.398) 4.423 11.591 ( 14.176 3.562 -2.384) 14.810 12.848 ( -10.061 0.049 -0.409) 10.070 14.602 ( -0.934 -2.454 3.097) 4.060 15.454 ( 16.975 3.205 -1.031) 17.305======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.505 ( -22.254 3.860 1.928) 22.669 2.652 ( -28.829 -2.583 2.870) 29.086 3.669 ( -10.859 1.227 -1.381) 11.015 4.352 ( -29.513 4.010 3.561) 29.996 4.934 ( -19.449 5.999 -5.747) 21.149 5.536 ( 1.852 -3.883 3.232) 5.381 6.196 ( 9.262 -3.605 1.699) 10.083 6.344 ( 15.554 2.508 3.809) 16.209 6.664 ( 2.705 2.746 -1.109) 4.011 8.221 ( -3.540 -1.337 -1.097) 3.940 8.477 ( -1.503 0.553 1.893) 2.479 9.489 ( 9.160 -6.260 -9.086) 14.341 10.734 ( 12.214 -3.048 -0.526) 12.600 11.324 ( 14.150 -4.437 0.387) 14.834 11.857 ( 14.030 2.721 -2.438) 14.498 12.706 ( -5.283 -2.325 -0.189) 5.775 14.533 ( -5.099 -2.990 3.001) 6.629 15.767 ( 13.924 6.582 0.724) 15.419======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.388 ( 0.000 14.393 10.184) 17.632 2.418 ( 0.000 13.156 5.794) 14.375 3.543 ( -0.000 10.254 -3.812) 10.939 3.756 ( -0.000 19.528 -10.494) 22.169 4.782 ( 0.000 25.474 4.034) 25.791 5.860 ( 0.000 11.594 3.767) 12.191 6.180 ( -0.000 -17.536 2.235) 17.678 6.401 ( -0.000 -2.180 -1.079) 2.432 7.288 ( -0.000 -12.710 -2.799) 13.014 8.118 ( 0.000 1.276 4.181) 4.371 8.413 ( 0.000 9.446 2.556) 9.786 9.556 ( -0.000 -2.611 -5.456) 6.048 10.743 ( -0.000 -16.427 -1.438) 16.490 11.564 ( -0.000 -11.404 1.455) 11.496 11.721 ( -0.000 -19.180 -8.866) 21.130 12.552 ( 0.000 -1.379 0.527) 1.476 14.933 ( 0.000 -0.007 15.075) 15.075 15.489 ( -0.000 0.567 -11.689) 11.703======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.564 ( 4.318 13.445 5.434) 15.131 2.692 ( 13.342 10.608 7.252) 18.524 3.648 ( 1.771 9.309 -4.357) 10.430 3.922 ( 8.383 9.298 -14.006) 18.785 5.071 ( 3.254 23.728 6.475) 24.810 5.905 ( 1.005 -11.813 11.752) 16.694 6.071 ( -3.747 2.858 -2.297) 5.243 6.365 ( -1.187 -0.822 0.930) 1.717 7.125 ( -6.102 -6.668 -0.536) 9.055 8.150 ( -0.019 4.492 0.827) 4.567 8.499 ( -1.253 6.671 1.408) 6.932 9.441 ( -7.206 -5.318 -8.337) 12.236 10.630 ( 4.261 -13.651 -0.936) 14.331 11.408 ( -4.816 -15.760 5.823) 17.478 11.487 ( -2.991 -11.588 -11.031) 16.275 12.607 ( 6.607 0.658 0.199) 6.642 14.945 ( -0.309 -4.839 9.552) 10.712 15.446 ( -3.997 0.956 -5.671) 7.004======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.809 ( 8.436 10.838 3.667) 14.215 3.112 ( 20.753 11.716 5.620) 24.486 3.705 ( -1.240 5.166 -7.795) 9.433 4.158 ( 16.236 5.754 -11.134) 20.511 5.365 ( 4.394 17.625 6.672) 19.351 5.815 ( 5.906 -23.019 11.976) 26.612 6.025 ( -10.138 10.910 -1.160) 14.939 6.381 ( 0.500 2.553 5.580) 6.156 6.962 ( -9.064 -1.779 2.381) 9.539 8.211 ( 1.734 5.070 -1.791) 5.650 8.505 ( -3.726 3.319 -0.894) 5.069 9.162 ( -13.286 -7.228 -12.101) 19.370 10.556 ( -1.494 -9.082 0.439) 9.215 11.233 ( 3.327 -17.046 -4.009) 17.825 11.332 ( -3.608 -3.511 0.988) 5.130 12.771 ( 9.142 5.360 -0.437) 10.607 14.896 ( -1.046 -8.453 6.101) 10.477 15.312 ( -9.594 -2.389 -2.192) 10.127======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.069 ( 10.446 7.581 2.832) 13.214 3.607 ( 12.392 15.613 1.326) 19.977 3.685 ( 6.904 0.270 -6.963) 9.809 4.478 ( 17.612 6.872 -8.448) 20.707 5.570 ( 3.650 4.130 6.003) 8.150 5.776 ( 7.932 -15.250 9.748) 19.762 5.936 ( -11.908 9.129 1.081) 15.044 6.439 ( 0.864 0.876 7.628) 7.727 6.791 ( -11.858 -0.173 3.519) 12.370 8.285 ( 2.140 4.932 -3.358) 6.339 8.431 ( -5.857 -0.315 -5.064) 7.749 8.847 ( -10.235 -5.071 -8.900) 14.480 10.432 ( -4.618 -3.966 3.118) 6.840 11.067 ( -3.589 -11.613 -8.582) 14.879 11.367 ( 6.663 -1.461 4.922) 8.412 13.009 ( 9.908 11.190 -0.837) 14.970 14.789 ( -2.843 -10.344 4.520) 11.641 15.071 ( -11.803 -8.028 -1.293) 14.333======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.321 ( 11.212 4.890 1.833) 12.369 3.574 ( -5.445 1.687 -6.426) 8.590 4.142 ( 19.588 15.191 -0.295) 24.790 4.796 ( 12.770 10.310 -7.749) 18.150 5.615 ( 2.366 -6.509 5.523) 8.859 5.791 ( -7.433 -0.021 3.700) 8.303 5.845 ( 2.324 -4.115 5.781) 7.467 6.449 ( -3.457 -1.536 2.466) 4.516 6.577 ( -11.980 -2.613 4.673) 13.122 8.302 ( -3.449 -1.608 -6.887) 7.868 8.359 ( 1.329 6.470 -2.292) 6.991 8.698 ( -1.665 -3.253 -2.167) 4.248 10.372 ( -3.181 0.964 6.141) 6.983 10.868 ( -4.034 -7.899 -8.288) 12.139 11.479 ( 4.016 1.238 2.479) 4.879 13.311 ( 9.673 17.121 -0.790) 19.681 14.615 ( -11.693 -5.380 3.358) 13.302 14.797 ( -1.914 -19.738 -1.345) 19.876======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.468 ( -6.146 1.246 -4.564) 7.756 3.550 ( 10.345 2.859 1.365) 10.819 4.539 ( 8.140 16.046 -3.762) 18.382 5.021 ( 1.179 16.269 -8.111) 18.218 5.572 ( -3.168 -4.041 5.333) 7.403 5.673 ( -2.439 -5.441 3.146) 6.741 5.855 ( 4.622 -11.361 3.454) 12.743 6.222 ( -16.535 -0.760 -2.087) 16.684 6.488 ( 1.050 -6.866 5.923) 9.128 8.279 ( 1.688 2.573 -2.919) 4.241 8.443 ( 1.879 4.836 1.027) 5.289 8.678 ( 4.074 -3.645 -1.641) 5.708 10.329 ( -5.658 -1.356 5.783) 8.204 10.792 ( 3.590 0.783 -5.779) 6.848 11.519 ( -1.942 1.973 0.545) 2.821 13.624 ( 2.555 21.774 -0.119) 21.924 14.341 ( -11.427 -5.374 0.718) 12.648 14.650 ( 8.714 -23.493 -0.219) 25.057======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.352 ( -8.021 1.572 -1.153) 8.254 3.735 ( 8.842 1.133 -0.838) 8.954 4.587 ( -17.228 10.542 -5.676) 20.980 5.136 ( -3.313 19.271 -7.056) 20.788 5.521 ( 0.215 -7.807 6.647) 10.256 5.603 ( -1.674 -2.007 -0.683) 2.701 5.807 ( 2.453 -10.089 -5.260) 11.640 6.003 ( -7.187 -2.319 9.909) 12.458 6.471 ( 2.985 -6.584 3.249) 7.926 8.354 ( 2.462 5.645 -1.322) 6.299 8.482 ( 0.347 -2.345 1.153) 2.636 8.777 ( 10.460 -0.574 -1.558) 10.591 10.223 ( -3.643 -3.695 2.494) 5.757 10.940 ( 9.511 6.140 -1.872) 11.475 11.456 ( -6.696 0.292 -0.206) 6.706 13.643 ( -19.015 9.510 0.154) 21.261 14.324 ( 8.939 5.270 0.646) 10.397 14.627 ( 14.125 -18.715 -0.648) 23.456======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.219 ( -10.037 1.943 1.420) 10.322 3.848 ( 4.789 -1.686 -3.243) 6.024 4.228 ( -29.009 4.402 -1.918) 29.404 5.172 ( -9.060 10.927 -7.986) 16.287 5.450 ( -0.704 -8.630 6.929) 11.090 5.580 ( -1.141 0.605 0.093) 1.295 5.758 ( 1.890 1.119 -5.727) 6.134 5.988 ( 0.645 -1.313 13.871) 13.948 6.489 ( 4.185 -3.284 1.043) 5.421 8.426 ( -1.783 -1.245 -1.059) 2.419 8.450 ( 2.303 1.223 0.107) 2.610 8.956 ( 12.634 -2.507 -5.107) 13.855 10.204 ( 3.664 -0.441 1.727) 4.075 11.143 ( 10.490 -4.316 -3.952) 12.012 11.340 ( -6.599 5.243 2.970) 8.936 13.342 ( -19.134 -0.101 -0.373) 19.138 14.498 ( 6.449 -1.899 1.329) 6.853 14.831 ( 19.491 2.258 -0.282) 19.624======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.057 ( -12.643 2.009 3.048) 13.159 3.661 ( -25.141 -6.149 -2.584) 26.011 3.917 ( -7.228 3.466 -0.739) 8.050 5.014 ( -11.137 -1.571 -3.416) 11.755 5.360 ( -6.492 -0.247 0.018) 6.497 5.553 ( -2.263 -2.516 4.168) 5.368 5.898 ( 7.997 10.332 1.810) 13.190 6.049 ( 1.536 1.002 10.316) 10.477 6.554 ( 4.095 2.070 -0.945) 4.685 8.331 ( -2.233 -7.170 -2.588) 7.943 8.513 ( -0.112 4.532 1.456) 4.762 9.094 ( 12.699 -7.236 -11.318) 18.486 10.342 ( 9.453 3.067 0.955) 9.984 11.082 ( 2.356 -15.474 -2.102) 15.793 11.475 ( 7.004 9.478 2.140) 11.978 13.036 ( -14.434 -3.923 -0.484) 14.966 14.556 ( 3.824 -3.506 0.835) 5.254 15.221 ( 17.793 10.137 1.529) 20.535======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( -15.714 1.164 3.682) 16.181 3.143 ( -29.340 -1.508 1.179) 29.402 3.811 ( -7.213 -0.619 -2.606) 7.695 4.777 ( -15.392 -0.177 1.176) 15.438 5.230 ( -11.213 5.270 -3.621) 12.908 5.501 ( -1.418 -3.366 3.535) 5.083 6.089 ( 1.739 0.914 11.499) 11.666 6.201 ( 10.512 7.324 2.507) 13.055 6.658 ( 3.458 7.512 -2.800) 8.731 8.216 ( -1.599 -6.653 -2.285) 7.214 8.534 ( -2.352 2.397 2.245) 4.040 9.176 ( 12.819 -10.350 -14.830) 22.167 10.521 ( 9.192 -1.653 -1.017) 9.394 11.053 ( 10.745 -9.559 0.614) 14.394 11.688 ( 9.553 4.327 -0.030) 10.487 12.786 ( -9.106 -6.148 -0.199) 10.989 14.564 ( -0.489 -1.397 0.940) 1.753 15.603 ( 15.051 9.304 2.766) 17.910======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.656 ( 0.000 8.355 3.649) 9.118 2.687 ( 0.000 10.246 8.034) 13.021 3.698 ( -0.000 7.997 -3.106) 8.579 3.873 ( -0.000 4.176 -15.108) 15.675 5.294 ( 0.000 22.010 6.013) 22.816 5.702 ( 0.000 -26.325 13.237) 29.466 6.252 ( 0.000 17.390 -1.401) 17.447 6.353 ( -0.000 -1.898 -0.734) 2.035 7.090 ( -0.000 -5.991 -3.365) 6.871 8.211 ( 0.000 6.014 0.736) 6.059 8.601 ( 0.000 7.622 2.572) 8.044 9.436 ( -0.000 -5.111 -6.725) 8.447 10.430 ( -0.000 -14.115 -1.609) 14.207 11.286 ( -0.000 -18.787 -3.198) 19.057 11.412 ( -0.000 -6.308 -1.313) 6.443 12.536 ( 0.000 -0.709 0.620) 0.942 14.903 ( 0.000 -6.929 2.775) 7.464 15.516 ( 0.000 4.071 0.687) 4.129======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( 5.163 9.256 2.780) 10.957 2.897 ( 14.042 5.886 7.055) 16.781 3.754 ( -1.163 4.761 -6.185) 7.891 3.933 ( 10.457 2.805 -9.738) 14.562 5.467 ( 2.302 -6.836 6.948) 10.015 5.577 ( 2.817 -1.114 10.769) 11.187 6.269 ( -6.721 5.542 -0.711) 8.740 6.426 ( 0.737 8.933 0.912) 9.009 7.020 ( -1.938 -3.219 -2.133) 4.321 8.265 ( -0.847 6.490 0.053) 6.545 8.630 ( -4.841 5.304 1.165) 7.275 9.262 ( -10.480 -6.357 -9.045) 15.234 10.393 ( 8.580 -9.673 -0.993) 12.968 11.060 ( -3.393 -16.104 -3.703) 16.869 11.341 ( -1.911 -4.429 1.449) 5.036 12.628 ( 10.204 1.267 0.260) 10.285 14.828 ( -1.281 -8.029 0.327) 8.137 15.490 ( -7.869 2.508 2.789) 8.717======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.000 ( 7.133 6.479 3.059) 10.110 3.311 ( 24.796 5.536 3.739) 25.680 3.723 ( -2.920 2.592 -6.329) 7.436 4.194 ( 18.232 3.807 -5.077) 19.304 5.405 ( 7.080 -19.760 9.721) 23.132 5.720 ( 1.244 9.665 4.811) 10.867 6.200 ( -8.250 5.950 0.249) 10.175 6.488 ( -2.053 4.886 2.447) 5.838 6.939 ( -5.288 -1.050 -0.187) 5.394 8.309 ( -0.821 5.130 -0.377) 5.209 8.560 ( -7.809 3.167 -2.316) 8.740 8.958 ( -12.908 -5.618 -8.792) 16.597 10.438 ( 2.709 -3.011 0.570) 4.090 10.893 ( 2.442 -14.198 -5.117) 15.288 11.302 ( 1.266 -1.881 3.607) 4.260 12.880 ( 15.065 5.655 -0.184) 16.092 14.700 ( -3.130 -10.715 -0.208) 11.165 15.318 ( -15.312 0.473 2.722) 15.560======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.195 ( 9.239 3.607 2.071) 10.132 3.627 ( -0.396 0.251 -5.252) 5.272 3.870 ( 23.987 8.237 3.663) 25.625 4.551 ( 20.434 4.468 -3.169) 21.156 5.410 ( 9.450 -14.096 7.787) 18.672 5.803 ( -0.834 3.541 2.250) 4.278 6.084 ( -12.772 5.017 0.044) 13.722 6.475 ( -2.563 -0.489 1.843) 3.195 6.800 ( -11.248 -0.311 0.721) 11.275 8.299 ( -3.453 -0.547 -3.158) 4.711 8.468 ( -4.398 6.804 -3.700) 8.906 8.724 ( -7.091 -3.738 -2.539) 8.408 10.457 ( -0.783 3.754 4.781) 6.129 10.769 ( -0.176 -12.304 -7.918) 14.632 11.388 ( 7.635 -0.248 3.182) 8.275 13.227 ( 16.706 10.646 -0.450) 19.815 14.525 ( -2.954 -13.774 -0.099) 14.088 15.015 ( -20.812 -1.323 1.772) 20.929======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.389 ( 10.340 1.281 0.305) 10.423 3.570 ( -4.662 1.638 -1.438) 5.146 4.372 ( 23.341 6.640 2.137) 24.361 4.920 ( 18.077 5.518 -2.068) 19.013 5.494 ( 9.531 -6.497 4.705) 12.457 5.767 ( -5.165 -1.683 -0.990) 5.522 5.862 ( -15.762 -0.569 1.345) 15.829 6.410 ( -4.217 -1.789 -3.298) 5.644 6.560 ( -14.996 -1.667 2.264) 15.258 8.248 ( 0.745 0.856 -2.431) 2.683 8.509 ( -1.030 7.666 1.513) 7.881 8.604 ( -1.404 -4.827 -1.973) 5.400 10.468 ( -7.332 0.518 5.357) 9.095 10.670 ( 5.265 -2.646 -6.132) 8.504 11.514 ( 5.060 0.223 1.006) 5.164 13.632 ( 16.995 13.903 -0.427) 21.962 14.357 ( 0.281 -14.974 0.081) 14.977 14.626 ( -23.071 -2.261 0.691) 23.191======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.492 ( -5.953 2.512 1.005) 6.539 3.569 ( 9.771 -0.765 -1.114) 9.864 4.727 ( 9.865 2.571 1.229) 10.268 5.225 ( 10.956 6.977 -1.748) 13.106 5.540 ( -13.977 -4.314 2.808) 14.895 5.622 ( 5.901 1.689 -1.295) 6.273 5.652 ( -4.493 -7.766 -1.446) 9.088 6.223 ( -14.018 2.205 -0.968) 14.223 6.410 ( -1.213 -3.804 1.655) 4.323 8.319 ( 4.588 2.723 -0.013) 5.336 8.483 ( -2.686 -3.180 0.177) 4.166 8.646 ( 5.327 2.843 -0.292) 6.045 10.303 ( -7.759 -3.711 0.024) 8.601 10.811 ( 8.293 3.809 -0.015) 9.126 11.541 ( -1.840 -0.669 0.012) 1.958 13.951 ( -0.063 -0.008 -0.000) 0.063 14.282 ( 3.629 2.387 0.095) 4.345 14.307 ( -4.107 -2.600 -0.094) 4.861======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.403 ( -8.307 2.369 3.695) 9.395 3.702 ( 8.156 -2.480 -3.984) 9.410 4.655 ( -17.510 -2.598 0.661) 17.714 5.282 ( -4.357 -18.126 4.864) 19.266 5.413 ( 0.658 9.362 -2.741) 9.777 5.572 ( 1.195 0.557 -1.449) 1.959 5.732 ( 3.510 6.515 -6.367) 9.762 6.103 ( -5.911 4.541 12.421) 14.486 6.407 ( 3.453 0.110 -3.064) 4.618 8.359 ( 0.482 -6.817 -1.133) 6.927 8.472 ( 2.141 4.739 0.418) 5.217 8.754 ( 6.453 -1.351 -3.193) 7.326 10.202 ( -1.614 0.991 0.434) 1.943 10.942 ( 5.812 -4.792 -1.470) 7.675 11.476 ( -4.211 1.148 1.456) 4.602 13.637 ( -18.995 -9.812 -0.370) 21.383 14.318 ( 8.098 -5.395 0.098) 9.731 14.640 ( 15.355 19.112 0.590) 24.523======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.278 ( -10.376 0.849 4.768) 11.450 3.739 ( 0.821 -4.577 -5.777) 7.416 4.253 ( -24.064 -2.108 2.117) 24.249 5.027 ( -3.618 -19.398 1.114) 19.764 5.457 ( -3.940 5.811 -1.406) 7.160 5.601 ( -0.785 2.163 1.650) 2.832 5.880 ( 6.620 10.618 -1.461) 12.597 6.143 ( -2.315 5.341 14.606) 15.723 6.507 ( 5.607 6.491 -4.472) 9.673 8.270 ( -1.027 -8.064 -2.681) 8.560 8.556 ( 1.147 3.494 3.340) 4.968 8.803 ( 7.516 -7.035 -11.665) 15.559 10.277 ( 4.750 6.698 0.938) 8.264 10.870 ( 1.258 -17.070 -2.233) 17.262 11.496 ( 1.605 5.574 2.443) 6.294 13.231 ( -16.526 -11.009 -0.396) 19.861 14.430 ( 7.699 -0.406 -0.123) 7.711 15.080 ( 15.171 16.934 1.743) 22.803======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.094 ( -12.711 -2.496 4.453) 13.698 3.551 ( -17.673 -0.633 -1.866) 17.782 3.930 ( -11.879 -1.949 -0.449) 12.046 4.830 ( -0.396 -13.150 -2.225) 13.343 5.408 ( -6.589 3.508 1.441) 7.603 5.582 ( -5.506 2.997 4.064) 7.471 6.126 ( 9.164 10.052 1.638) 13.701 6.195 ( -3.063 4.933 12.421) 13.711 6.667 ( 4.669 10.394 -3.531) 11.929 8.159 ( -1.635 -7.561 -2.102) 8.017 8.594 ( -0.509 1.045 3.870) 4.041 8.810 ( 9.845 -10.645 -17.359) 22.617 10.406 ( 2.954 0.275 -1.473) 3.312 10.784 ( 9.408 -10.664 0.967) 14.254 11.610 ( 5.048 3.683 0.966) 6.323 12.880 ( -11.842 -11.347 -0.134) 16.401 14.539 ( 3.641 2.299 -0.168) 4.309 15.473 ( 13.598 12.055 2.767) 18.382======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.798 ( 0.000 4.348 2.383) 4.958 2.898 ( 0.000 6.091 7.758) 9.864 3.807 ( -0.000 -0.409 -10.090) 10.098 3.808 ( -0.000 5.171 -2.330) 5.672 5.272 ( 0.000 -22.561 11.204) 25.189 5.701 ( 0.000 13.264 4.312) 13.948 6.321 ( -0.000 -1.145 -0.072) 1.148 6.549 ( 0.000 13.094 -1.637) 13.196 6.998 ( -0.000 -1.854 -2.450) 3.073 8.334 ( 0.000 5.939 -0.718) 5.982 8.728 ( 0.000 4.076 1.165) 4.239 9.289 ( -0.000 -4.448 -7.158) 8.427 10.195 ( -0.000 -8.993 -0.752) 9.025 10.950 ( -0.000 -12.134 -4.957) 13.108 11.325 ( 0.000 -3.890 3.426) 5.183 12.531 ( 0.000 -0.225 0.391) 0.451 14.781 ( -0.000 -5.122 -1.082) 5.235 15.592 ( 0.000 1.660 3.559) 3.928======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.952 ( 8.952 4.251 -0.201) 9.912 3.028 ( 10.568 2.165 9.097) 14.111 3.759 ( -1.543 1.219 -4.589) 4.993 3.951 ( 11.769 2.851 -2.827) 12.434 5.149 ( 4.635 -17.720 10.065) 20.900 5.818 ( -0.106 8.267 2.050) 8.518 6.301 ( -1.542 0.070 0.398) 1.594 6.617 ( -3.904 8.176 -1.942) 9.266 6.972 ( -1.070 -0.603 -1.437) 1.890 8.375 ( -0.807 4.476 -1.472) 4.781 8.709 ( -6.071 2.437 -0.300) 6.548 9.108 ( -12.271 -3.090 -6.271) 14.123 10.252 ( 12.601 -4.325 -0.575) 13.335 10.788 ( -4.443 -8.744 -3.846) 10.535 11.295 ( -0.933 -2.504 3.874) 4.706 12.653 ( 13.464 1.008 0.140) 13.502 14.698 ( -4.330 -4.454 -1.000) 6.292 15.539 ( -8.691 0.316 2.813) 9.141======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.096 ( 6.536 1.444 1.931) 6.967 3.393 ( 23.960 1.097 3.600) 24.254 3.748 ( 0.053 2.182 0.453) 2.229 4.234 ( 19.132 2.386 -1.045) 19.308 5.154 ( 8.731 -10.868 7.957) 16.052 5.864 ( -1.379 2.830 -0.152) 3.152 6.261 ( -4.625 0.806 -0.508) 4.722 6.565 ( -6.902 2.242 -2.355) 7.630 6.925 ( -4.439 -0.058 -0.693) 4.493 8.368 ( -3.489 1.231 -2.889) 4.694 8.597 ( -7.181 2.751 -3.160) 8.314 8.864 ( -12.171 -0.259 -0.094) 12.174 10.446 ( 9.993 2.267 1.135) 10.310 10.639 ( -2.219 -7.319 -4.566) 8.907 11.296 ( 2.627 -1.394 3.454) 4.558 12.965 ( 20.374 2.613 -0.124) 20.541 14.545 ( -8.213 -4.138 -0.508) 9.211 15.332 ( -16.399 -0.706 1.557) 16.488======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.230 ( 8.757 -1.053 0.679) 8.847 3.643 ( 0.161 3.030 1.033) 3.206 3.971 ( 25.562 -1.160 5.285) 26.128 4.605 ( 21.789 1.945 1.044) 21.901 5.276 ( 11.084 -3.615 5.394) 12.846 5.824 ( -3.555 -1.387 -2.674) 4.659 6.120 ( -12.624 -0.544 -2.212) 12.828 6.446 ( -5.213 -1.596 -4.368) 6.986 6.787 ( -11.553 -0.682 -1.808) 11.714 8.284 ( -3.716 1.302 -2.164) 4.493 8.558 ( -0.711 1.643 -1.704) 2.472 8.696 ( -9.821 2.280 4.505) 11.042 10.505 ( -1.903 -8.853 -5.356) 10.521 10.637 ( 3.348 10.361 4.290) 11.704 11.384 ( 7.941 -1.656 0.850) 8.157 13.348 ( 22.276 0.241 -0.206) 22.278 14.372 ( -8.254 0.009 -0.188) 8.257 15.001 ( -21.844 -0.913 0.399) 21.867======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.370 ( 10.034 -2.745 -1.493) 10.509 3.632 ( -4.925 3.435 4.376) 7.430 4.396 ( 24.593 -6.916 4.462) 25.934 4.980 ( 19.604 0.132 3.703) 19.951 5.469 ( 10.162 1.726 2.388) 10.580 5.720 ( -4.570 -1.184 -5.184) 7.012 5.818 ( -18.916 -3.122 -2.825) 19.378 6.348 ( -2.556 -0.314 -8.650) 9.025 6.539 ( -14.624 -1.093 -0.493) 14.673 8.304 ( 1.859 4.621 2.344) 5.505 8.492 ( -3.865 -5.714 0.212) 6.902 8.663 ( -1.723 6.129 3.766) 7.397 10.350 ( -4.579 -6.115 -5.525) 9.428 10.805 ( 1.762 10.123 6.395) 12.103 11.486 ( 5.616 -2.803 -1.632) 6.486 13.640 ( 17.124 -13.148 0.307) 21.592 14.349 ( 0.044 13.853 -0.709) 13.871 14.617 ( -22.711 1.724 -0.128) 22.777======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.484 ( 6.838 -4.361 -3.664) 8.900 3.593 ( -3.998 2.890 6.016) 7.780 4.617 ( 11.117 -15.099 3.694) 19.110 5.205 ( 2.840 -11.978 8.869) 15.172 5.472 ( -7.890 0.975 -5.061) 9.424 5.591 ( -0.354 3.598 -3.062) 4.738 5.730 ( 3.383 8.620 -5.888) 10.974 6.304 ( -5.510 6.821 -1.082) 8.835 6.353 ( -1.621 -1.848 -3.073) 3.935 8.325 ( -3.790 -4.324 1.802) 6.025 8.463 ( 4.057 3.580 1.855) 5.720 8.699 ( -0.388 0.678 1.368) 1.576 10.239 ( -2.057 -0.113 -3.140) 3.756 10.888 ( -1.957 0.819 3.722) 4.284 11.503 ( 0.788 -1.661 -1.104) 2.144 13.629 ( 1.563 -21.582 0.376) 21.642 14.326 ( -9.876 4.435 -0.646) 10.845 14.649 ( 8.780 23.672 -0.261) 25.250======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.427 ( -5.854 -4.921 1.915) 7.884 3.641 ( 4.042 0.462 -1.089) 4.212 4.509 ( -7.238 -12.661 2.241) 14.755 4.897 ( -10.594 -20.897 2.918) 23.609 5.536 ( 2.926 3.429 -0.293) 4.517 5.624 ( 0.206 5.097 -2.858) 5.848 5.877 ( 5.236 10.883 -3.114) 12.472 6.276 ( -2.897 2.643 8.707) 9.550 6.457 ( 7.305 10.017 -6.404) 13.955 8.218 ( -2.407 -5.844 -0.877) 6.381 8.567 ( 1.059 0.525 7.723) 7.813 8.660 ( 0.207 -2.913 -8.245) 8.747 10.285 ( 3.836 7.560 -0.261) 8.481 10.754 ( -6.621 -12.878 0.007) 14.480 11.521 ( 1.156 2.704 0.780) 3.043 13.326 ( -11.163 -19.535 -0.097) 22.499 14.350 ( 3.861 6.758 -0.098) 7.784 15.045 ( 11.382 20.576 0.193) 23.515======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.243 ( -9.021 -7.811 2.407) 12.173 3.678 ( -0.773 2.084 -2.404) 3.274 4.203 ( -19.335 -3.194 2.168) 19.716 4.613 ( 2.341 -21.436 -2.434) 21.700 5.543 ( -4.203 2.633 0.697) 5.008 5.680 ( 0.231 3.699 2.936) 4.728 6.092 ( 7.354 10.913 0.371) 13.165 6.305 ( -0.605 3.224 5.597) 6.488 6.676 ( 6.304 12.256 -1.983) 13.924 8.128 ( -2.185 -4.462 -0.588) 5.003 8.499 ( 1.047 -11.746 -3.243) 12.230 8.672 ( 0.578 2.217 -3.173) 3.914 10.419 ( -4.486 0.842 -1.698) 4.870 10.556 ( 7.492 -7.097 1.477) 10.425 11.584 ( 2.385 2.820 0.486) 3.725 12.947 ( -11.780 -16.500 -0.042) 20.274 14.504 ( 5.143 6.594 -0.202) 8.365 15.404 ( 10.589 14.360 1.124) 17.877======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( 0.000 0.824 1.429) 1.650 3.019 ( 0.000 0.429 8.195) 8.206 3.773 ( -0.000 1.756 -1.232) 2.145 3.867 ( -0.000 2.290 -1.430) 2.700 4.995 ( 0.000 -11.883 8.678) 14.714 5.882 ( 0.000 3.733 0.055) 3.733 6.307 ( 0.000 -0.403 0.407) 0.572 6.711 ( -0.000 4.965 -3.520) 6.086 6.974 ( -0.000 0.254 -0.737) 0.779 8.405 ( -0.000 2.230 -3.378) 4.048 8.778 ( -0.000 0.988 -0.382) 1.059 9.200 ( -0.000 0.218 -5.013) 5.017 10.077 ( -0.000 -2.921 0.214) 2.929 10.769 ( -0.000 -3.259 -3.775) 4.988 11.297 ( 0.000 -1.998 4.918) 5.308 12.530 ( 0.000 -0.088 0.104) 0.136 14.710 ( -0.000 -1.390 -0.735) 1.572 15.620 ( 0.000 -0.592 1.914) 2.004======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.981 ( 10.207 -0.399 -1.575) 10.336 3.088 ( 9.399 -3.018 9.761) 13.883 3.792 ( -1.177 3.001 2.872) 4.318 3.985 ( 11.894 1.605 0.241) 12.004 4.984 ( 5.075 -4.587 6.505) 9.440 5.887 ( -0.642 -1.261 -1.838) 2.319 6.299 ( -1.137 -0.292 -0.087) 1.178 6.679 ( -5.132 0.274 -4.466) 6.809 6.970 ( -1.225 0.636 -0.098) 1.384 8.394 ( -1.001 -0.267 -5.112) 5.216 8.723 ( -6.181 0.050 -1.949) 6.481 9.090 ( -11.216 3.407 -0.195) 11.724 10.214 ( 14.808 0.363 0.181) 14.813 10.688 ( -6.060 1.145 -3.437) 7.060 11.290 ( -0.830 -1.001 4.974) 5.141 12.663 ( 14.848 -0.078 -0.059) 14.848 14.654 ( -5.746 0.428 -0.302) 5.769 15.541 ( -8.816 -1.290 0.806) 8.946======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.081 ( 6.695 -3.534 0.396) 7.581 3.406 ( 25.021 -3.420 5.205) 25.784 3.808 ( -1.119 1.623 5.480) 5.824 4.275 ( 19.280 1.405 3.285) 19.608 5.114 ( 9.079 2.641 4.068) 10.293 5.824 ( -1.609 -5.484 -3.903) 6.921 6.239 ( -5.193 -1.716 -2.483) 6.006 6.528 ( -8.103 -3.227 -5.756) 10.450 6.921 ( -5.784 0.104 -1.299) 5.929 8.330 ( -2.534 -1.270 -5.358) 6.062 8.612 ( -5.084 -0.008 -1.281) 5.243 8.948 ( -12.063 6.039 6.183) 14.840 10.428 ( 4.777 -2.922 -0.444) 5.618 10.664 ( 3.746 10.787 -2.399) 11.668 11.295 ( 1.094 -0.894 3.653) 3.917 12.965 ( 20.527 -2.473 -0.132) 20.676 14.547 ( -8.451 4.346 -0.333) 9.509 15.315 ( -16.257 -1.283 0.035) 16.308======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( 8.847 -5.101 -0.632) 10.232 3.737 ( 3.255 3.449 4.829) 6.768 3.891 ( 21.179 -10.806 5.850) 24.486 4.646 ( 21.135 -0.091 6.273) 22.047 5.347 ( 10.478 8.052 1.721) 13.326 5.716 ( -1.509 -6.597 -5.866) 8.956 6.039 ( -13.423 -5.275 -4.133) 15.003 6.359 ( -4.575 -2.512 -9.173) 10.554 6.750 ( -12.268 -1.057 -3.933) 12.927 8.314 ( 2.295 2.239 -0.822) 3.310 8.526 ( -4.702 -3.033 1.445) 5.778 8.851 ( -9.898 7.495 8.502) 15.048 10.358 ( -4.568 -2.115 -4.486) 6.743 10.913 ( 4.792 14.112 5.094) 15.750 11.337 ( 5.461 -3.010 -1.033) 6.321 13.235 ( 17.183 -10.043 0.341) 19.906 14.508 ( -3.782 11.989 -1.655) 12.680 14.998 ( -20.179 1.223 0.182) 20.217======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.268 ( 9.740 -6.176 -2.997) 11.916 3.729 ( -5.231 0.829 7.789) 9.419 4.173 ( 21.588 -17.318 2.644) 27.802 4.979 ( 15.919 -4.705 9.888) 19.321 5.545 ( 1.272 0.093 -1.673) 2.104 5.657 ( -2.157 1.974 -8.107) 8.618 5.745 ( -5.699 0.538 -3.264) 6.590 6.276 ( 0.814 0.086 -13.003) 13.029 6.522 ( -11.183 0.621 -1.853) 11.352 8.389 ( -4.717 -5.771 2.476) 7.854 8.433 ( 3.550 5.827 2.740) 7.353 8.801 ( -7.604 4.339 8.097) 11.925 10.266 ( -3.096 1.582 -4.237) 5.481 11.026 ( -7.029 5.897 7.057) 11.575 11.414 ( 6.984 -0.786 -3.728) 7.955 13.329 ( 9.491 -16.882 0.871) 19.387 14.546 ( -8.685 4.240 -3.195) 10.179 14.819 ( -4.135 19.655 0.853) 20.104======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.328 ( 6.116 -8.456 -4.986) 11.565 3.670 ( -3.201 -1.446 7.631) 8.401 4.260 ( 11.050 -20.804 0.455) 23.561 4.992 ( -10.571 -13.365 7.738) 18.715 5.468 ( 3.413 -0.083 -3.605) 4.966 5.635 ( 2.069 1.678 -4.825) 5.512 5.890 ( 5.079 11.971 -3.490) 13.464 6.282 ( 3.000 -0.216 -11.469) 11.857 6.468 ( 1.318 8.920 2.480) 9.352 8.242 ( -5.854 -5.059 2.525) 8.138 8.577 ( 4.713 4.589 1.561) 6.761 8.697 ( -9.731 -1.661 6.718) 11.941 10.289 ( 2.507 6.496 -1.312) 7.086 10.849 ( -13.966 -6.142 2.074) 15.397 11.513 ( 3.344 3.699 -0.887) 5.065 13.227 ( -1.025 -19.727 0.398) 19.758 14.433 ( -4.813 6.347 -0.615) 7.989 15.095 ( 7.015 22.176 -1.172) 23.289======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.851 ( -0.000 -2.542 0.473) 2.586 3.015 ( 0.000 -6.261 7.669) 9.900 3.874 ( 0.000 5.732 8.491) 10.244 3.877 ( -0.000 -0.612 -0.489) 0.783 4.949 ( 0.000 2.751 4.266) 5.076 5.847 ( -0.000 -6.276 -3.318) 7.099 6.311 ( 0.000 0.404 0.754) 0.855 6.690 ( -0.000 -3.910 -5.375) 6.647 6.988 ( 0.000 1.192 0.516) 1.299 8.373 ( -0.000 -1.774 -6.204) 6.453 8.765 ( -0.000 -1.692 -1.616) 2.339 9.237 ( -0.000 5.535 -1.911) 5.856 10.085 ( 0.000 3.352 0.934) 3.479 10.775 ( -0.000 5.957 -2.931) 6.639 11.315 ( 0.000 0.087 6.341) 6.342 12.527 ( -0.000 -0.159 -0.131) 0.206 14.716 ( 0.000 2.091 -0.191) 2.100 15.602 ( -0.000 -1.820 0.174) 1.828======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.922 ( 8.547 -4.398 -1.941) 9.806 3.035 ( 11.379 -8.772 8.428) 16.657 3.865 ( -0.592 0.035 3.594) 3.642 4.052 ( 10.537 3.631 8.863) 14.240 5.063 ( 4.964 9.602 1.805) 10.959 5.745 ( -0.334 -10.927 -4.817) 11.947 6.292 ( -3.303 -0.193 -0.448) 3.339 6.571 ( -4.805 -7.379 -6.131) 10.730 6.990 ( -2.166 1.473 0.103) 2.622 8.317 ( -1.132 -2.917 -6.329) 7.060 8.687 ( -4.906 -2.458 -2.007) 5.843 9.212 ( -8.522 7.596 2.439) 11.674 10.266 ( 12.580 4.796 0.810) 13.487 10.782 ( -5.360 10.548 -3.847) 12.441 11.331 ( -1.668 1.435 6.808) 7.155 12.650 ( 13.651 -1.101 -0.162) 13.697 14.700 ( -4.610 4.130 -0.817) 6.243 15.511 ( -8.546 -1.710 0.194) 8.718======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.973 ( 6.994 -7.709 0.002) 10.409 3.305 ( 25.430 -10.426 3.699) 27.732 3.858 ( -1.776 -1.229 5.608) 6.010 4.347 ( 17.151 1.308 10.361) 20.080 5.298 ( 8.199 14.335 -0.507) 16.522 5.606 ( 0.546 -13.151 -6.034) 14.480 6.162 ( -9.524 -4.716 -3.292) 11.126 6.382 ( -5.620 -5.973 -7.650) 11.216 6.907 ( -8.728 -0.001 -3.221) 9.303 8.273 ( 1.776 -1.435 -2.971) 3.746 8.579 ( -4.252 -2.741 -0.101) 5.060 9.147 ( -10.702 8.921 7.597) 15.870 10.425 ( -1.389 3.304 -0.480) 3.617 10.907 ( 9.094 15.078 -3.916) 18.039 11.328 ( -3.431 1.637 6.151) 7.231 12.884 ( 15.633 -5.316 0.166) 16.513 14.669 ( -4.222 7.802 -3.009) 9.367 15.304 ( -14.670 0.599 1.360) 14.745======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( 9.266 -8.798 -1.369) 12.851 3.609 ( 22.957 -19.037 2.060) 29.895 3.828 ( -1.378 -0.479 5.850) 6.029 4.689 ( 18.314 -2.119 11.942) 21.966 5.463 ( 2.547 -9.788 -4.100) 10.914 5.611 ( 8.565 12.780 -6.095) 16.548 5.885 ( -12.572 -6.193 -3.397) 14.420 6.241 ( -2.916 -1.981 -11.046) 11.595 6.698 ( -11.749 -0.983 -5.110) 12.850 8.335 ( 5.029 -0.912 1.560) 5.344 8.488 ( -3.545 -1.428 1.221) 4.013 9.074 ( -11.930 8.229 11.101) 18.255 10.372 ( -6.608 5.888 -2.593) 9.223 11.234 ( 6.717 15.441 2.692) 17.053 11.267 ( -2.920 -2.935 -0.004) 4.140 13.027 ( 10.351 -10.895 0.833) 15.051 14.675 ( -3.712 5.122 -5.867) 8.628 15.120 ( -11.028 11.722 2.929) 16.359======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.092 ( 9.361 -9.547 -3.830) 13.908 3.623 ( 5.089 -20.874 4.847) 22.026 3.906 ( 8.943 -6.689 1.388) 11.254 4.934 ( 8.442 -7.753 11.445) 16.198 5.394 ( 2.296 -8.229 -6.211) 10.562 5.600 ( -3.752 -3.528 -4.916) 7.120 5.922 ( 5.248 15.492 -3.413) 16.710 6.178 ( 1.888 -0.308 -14.106) 14.235 6.552 ( -3.372 3.541 -0.557) 4.921 8.299 ( -4.955 -5.782 3.686) 8.460 8.528 ( 4.780 2.858 -1.011) 5.661 8.965 ( -14.139 5.308 13.672) 20.372 10.353 ( -2.615 8.490 -1.262) 8.973 11.063 ( -14.596 -3.443 1.925) 15.120 11.490 ( 5.607 9.327 -0.826) 10.914 13.030 ( 3.996 -14.337 0.727) 14.901 14.573 ( -6.822 1.312 -2.541) 7.397 15.232 ( 1.500 21.257 -0.680) 21.320======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.766 ( -0.000 -6.215 -0.664) 6.251 2.888 ( 0.000 -11.634 6.382) 13.269 3.836 ( -0.000 -3.609 0.362) 3.627 4.070 ( 0.000 4.878 15.130) 15.897 5.148 ( 0.000 15.783 -0.681) 15.798 5.598 ( -0.000 -16.016 -5.419) 16.908 6.334 ( 0.000 1.326 1.150) 1.755 6.498 ( -0.000 -11.287 -6.395) 12.973 7.031 ( 0.000 2.953 0.698) 3.034 8.273 ( -0.000 -3.714 -6.242) 7.263 8.688 ( -0.000 -4.870 -2.585) 5.513 9.362 ( 0.000 7.742 -0.869) 7.791 10.219 ( 0.000 9.503 1.469) 9.616 10.944 ( -0.000 13.202 -3.668) 13.702 11.400 ( 0.000 3.897 8.901) 9.716 12.524 ( -0.000 -0.000 -0.252) 0.252 14.769 ( -0.000 3.352 -2.267) 4.047 15.569 ( 0.000 -1.461 1.423) 2.039======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.781 ( 6.345 -9.160 -1.419) 11.233 2.864 ( 13.090 -13.472 4.844) 19.399 3.827 ( 2.767 -4.978 1.513) 5.893 4.205 ( 6.683 0.950 15.555) 16.956 5.353 ( 4.128 19.411 -2.975) 20.067 5.414 ( 1.106 -18.622 -5.426) 19.428 6.257 ( -8.149 -6.315 -2.441) 10.595 6.364 ( -1.837 -5.274 -4.256) 7.022 7.028 ( -5.057 2.766 -1.483) 5.952 8.216 ( 0.584 -3.493 -4.157) 5.461 8.599 ( -2.564 -5.249 -1.769) 6.104 9.389 ( -5.395 8.448 2.210) 10.264 10.413 ( 7.739 9.694 0.861) 12.434 11.014 ( -4.395 15.682 -5.023) 17.043 11.457 ( -3.095 6.350 9.591) 11.912 12.625 ( 10.717 -1.251 -0.073) 10.790 14.765 ( -2.184 3.331 -5.237) 6.580 15.505 ( -7.459 0.671 3.866) 8.428======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.779 ( 7.747 -12.526 0.106) 14.728 3.052 ( 21.812 -16.846 -0.076) 27.560 3.816 ( 1.296 -6.153 3.197) 7.054 4.421 ( 14.850 -4.442 13.468) 20.534 5.254 ( 3.577 -18.021 -3.037) 18.622 5.615 ( 5.752 16.967 -7.726) 19.510 6.010 ( -9.897 -5.527 -2.278) 11.562 6.265 ( -5.014 -0.712 -5.354) 7.369 6.873 ( -12.362 -0.405 -5.848) 13.682 8.237 ( 5.317 -1.684 0.783) 5.632 8.513 ( -1.913 -3.671 0.021) 4.140 9.370 ( -8.634 8.479 6.884) 13.922 10.546 ( -3.729 9.142 -0.471) 9.884 11.150 ( 5.470 12.818 -5.941) 15.149 11.482 ( -6.360 9.404 9.290) 14.669 12.781 ( 9.888 -5.130 0.489) 11.150 14.734 ( -2.153 1.570 -8.344) 8.759 15.404 ( -9.328 7.856 5.766) 13.490======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.808 ( 10.484 -12.815 -1.752) 16.649 3.177 ( 16.226 -25.241 -1.033) 30.025 3.799 ( 3.001 -5.596 3.135) 7.082 4.671 ( 16.702 -10.037 9.460) 21.661 5.177 ( 7.136 -14.408 -0.980) 16.108 5.632 ( -5.445 -4.542 -8.161) 10.811 6.012 ( 1.436 18.257 -2.728) 18.515 6.164 ( -4.058 1.363 -7.405) 8.553 6.653 ( -8.119 -0.167 -4.150) 9.119 8.293 ( 1.407 -4.683 3.412) 5.963 8.486 ( 1.573 0.551 -0.750) 1.828 9.303 ( -12.215 7.201 11.128) 18.024 10.532 ( -7.189 10.818 -0.748) 13.011 11.229 ( -6.003 1.205 -1.952) 6.426 11.558 ( -0.423 14.876 3.998) 15.410 12.842 ( 5.101 -8.603 0.730) 10.028 14.648 ( -4.173 -2.430 -5.732) 7.495 15.438 ( -2.834 17.285 2.098) 17.641======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.595 ( -0.000 -10.698 -2.153) 10.913 2.650 ( 0.000 -16.613 3.815) 17.046 3.742 ( -0.000 -6.571 1.041) 6.653 4.185 ( 0.000 -6.529 14.577) 15.972 5.193 ( -0.000 -20.955 -2.737) 21.133 5.505 ( -0.000 21.191 -5.900) 21.998 6.209 ( -0.000 -12.057 -5.260) 13.154 6.376 ( 0.000 2.017 1.405) 2.458 7.114 ( 0.000 5.745 -1.177) 5.864 8.159 ( -0.000 -4.132 -4.083) 5.809 8.546 ( -0.000 -7.681 -2.625) 8.117 9.506 ( 0.000 7.196 -0.596) 7.221 10.462 ( 0.000 14.092 1.344) 14.156 11.208 ( -0.000 16.334 -4.539) 16.953 11.602 ( 0.000 10.122 10.726) 14.748 12.528 ( -0.000 0.630 -0.144) 0.647 14.773 ( -0.000 -0.199 -8.346) 8.348 15.596 ( 0.000 1.972 7.324) 7.585======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.527 ( 4.874 -17.896 1.210) 18.587 2.588 ( 13.287 -15.152 -2.650) 20.326 3.706 ( 2.966 -8.576 1.453) 9.190 4.175 ( 8.246 -16.193 9.817) 20.654 5.012 ( 2.424 -19.837 1.846) 20.069 5.672 ( 1.232 11.397 -10.435) 15.502 6.089 ( -3.315 1.424 -0.659) 3.668 6.355 ( -4.983 1.954 0.062) 5.353 7.071 ( -11.038 4.113 -5.670) 13.073 8.139 ( 3.565 -2.717 -0.187) 4.487 8.472 ( 0.986 -6.315 -1.239) 6.511 9.550 ( -2.598 6.470 1.614) 7.157 10.643 ( 2.915 13.228 0.271) 13.548 11.298 ( -5.202 16.707 -4.207) 17.996 11.710 ( -4.253 12.601 9.808) 16.524 12.607 ( 7.273 -0.492 0.197) 7.293 14.718 ( -0.649 -2.801 -10.887) 11.261 15.615 ( -4.689 5.885 9.482) 12.105======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.475 ( 10.453 -19.380 -0.181) 22.020 2.666 ( 15.745 -20.777 -4.009) 26.375 3.668 ( 3.976 -10.824 1.535) 11.632 4.248 ( 18.219 -20.497 4.292) 27.758 4.905 ( 6.364 -18.878 4.331) 20.387 5.639 ( -3.408 -2.520 -8.627) 9.612 6.194 ( 0.360 19.916 0.258) 19.921 6.272 ( -7.022 3.857 -1.021) 8.077 6.820 ( -15.308 -0.064 -7.566) 17.076 8.202 ( 5.039 -3.387 2.384) 6.523 8.458 ( 1.983 -1.500 -0.356) 2.512 9.550 ( -6.001 5.546 5.358) 9.771 10.750 ( -4.697 11.575 -0.504) 12.501 11.356 ( -4.706 12.721 -2.739) 13.837 11.783 ( -5.532 14.589 7.046) 17.120 12.701 ( 5.055 -3.414 0.534) 6.123 14.628 ( -1.171 -5.504 -8.971) 10.590 15.654 ( -3.594 12.398 6.288) 14.359======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.290 ( -0.000 -21.881 -0.327) 21.883 2.313 ( -0.000 -16.429 -4.089) 16.930 3.599 ( -0.000 -8.899 1.525) 9.028 3.891 ( -0.000 -30.604 3.816) 30.841 4.809 ( 0.000 -21.243 6.057) 22.089 5.691 ( -0.000 1.280 -10.185) 10.265 6.190 ( 0.000 14.815 1.439) 14.884 6.423 ( 0.000 1.706 0.970) 1.962 7.233 ( -0.000 9.876 -8.479) 13.016 8.080 ( 0.000 -2.291 0.940) 2.476 8.374 ( -0.000 -8.176 -1.065) 8.245 9.618 ( 0.000 4.209 0.096) 4.210 10.760 ( 0.000 15.536 0.179) 15.537 11.511 ( 0.000 17.504 -2.468) 17.677 11.918 ( 0.000 14.953 8.460) 17.181 12.550 ( 0.000 1.661 0.350) 1.697 14.637 ( -0.000 -6.223 -12.723) 14.164 15.744 ( 0.000 5.741 12.463) 13.722======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( 6.131 -25.290 -2.126) 26.109 2.236 ( 11.210 -19.075 -5.019) 22.687 3.482 ( 1.086 -19.445 0.474) 19.481 3.731 ( 15.320 -26.492 1.700) 30.650 4.630 ( 3.211 -24.778 5.305) 25.542 5.647 ( -1.891 -0.127 -5.556) 5.871 6.360 ( -1.590 12.714 0.434) 12.821 6.418 ( -1.377 8.262 2.746) 8.815 7.125 ( -18.544 8.782 -12.436) 23.993 8.104 ( 3.415 -2.382 2.980) 5.120 8.367 ( 6.153 -3.216 0.102) 6.944 9.649 ( -0.525 2.395 1.486) 2.867 10.907 ( -0.662 13.587 -0.677) 13.619 11.612 ( -6.933 17.839 -1.239) 19.179 12.044 ( -4.993 15.225 6.761) 17.391 12.612 ( 3.977 0.778 0.582) 4.094 14.527 ( 0.671 -8.407 -11.483) 14.247 15.830 ( -1.860 8.282 10.986) 13.884======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( -0.000 -26.826 -5.080) 27.303 1.895 ( -0.000 -23.298 -6.047) 24.070 3.145 ( -0.000 -45.370 0.318) 45.371 3.427 ( -0.000 -9.672 1.686) 9.818 4.354 ( -0.000 -29.319 3.616) 29.541 5.658 ( -0.000 1.682 -2.287) 2.840 6.448 ( 0.000 0.481 -0.082) 0.488 6.540 ( 0.000 14.419 5.024) 15.270 7.395 ( -0.000 18.888 -24.729) 31.117 8.100 ( 0.000 0.705 10.246) 10.270 8.231 ( -0.000 -6.370 1.188) 6.480 9.657 ( 0.000 -0.823 0.921) 1.235 11.045 ( 0.000 13.874 -1.333) 13.938 11.858 ( 0.000 18.977 0.317) 18.980 12.262 ( 0.000 15.278 4.637) 15.966 12.597 ( 0.000 2.654 1.068) 2.861 14.384 ( -0.000 -10.588 -11.922) 15.945 15.955 ( 0.000 6.265 13.460) 14.847======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.619 ( 0.000 0.000 29.629) 29.629 0.619 ( 0.000 0.000 29.629) 29.629 1.107 ( 0.000 0.000 53.990) 53.990 3.040 ( -0.000 -0.000 -3.987) 3.987 3.040 ( -0.000 -0.000 -3.987) 3.987 5.660 ( -0.000 -0.000 -9.457) 9.457 6.441 ( 0.000 0.000 0.716) 0.716 6.441 ( 0.000 0.000 0.716) 0.716 8.046 ( -0.000 -0.000 -1.495) 1.495 8.046 ( -0.000 -0.000 -1.495) 1.495 9.260 ( -0.000 -0.000 -2.447) 2.447 11.126 ( 0.000 0.000 4.665) 4.665 11.491 ( 0.000 0.000 1.330) 1.330 11.491 ( 0.000 0.000 1.330) 1.330 12.716 ( -0.000 -0.000 -0.837) 0.837 12.716 ( -0.000 -0.000 -0.837) 0.837 12.802 ( -0.000 -0.000 -1.393) 1.393 15.926 ( -0.000 -0.000 -0.575) 0.575======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( 18.168 10.489 19.113) 28.380 1.002 ( 13.370 7.719 28.462) 32.379 1.699 ( 34.843 20.117 35.118) 53.404 3.089 ( 4.850 2.800 -3.892) 6.820 3.209 ( 16.254 9.384 -4.718) 19.352 5.612 ( -0.916 -0.529 -10.894) 10.945 6.434 ( -0.338 -0.195 0.322) 0.505 6.510 ( 3.536 2.041 -6.933) 8.046 7.766 ( -22.851 -13.193 0.538) 26.392 8.094 ( 3.437 1.984 -0.546) 4.006 9.240 ( -10.243 -5.914 6.855) 13.671 9.673 ( -28.031 -16.184 30.365) 44.381 11.414 ( -6.085 -3.513 0.536) 7.047 12.297 ( -0.663 -0.383 -20.179) 20.193 12.626 ( -6.755 -3.900 -2.702) 8.254 12.716 ( -0.622 -0.359 -0.259) 0.763 13.540 ( 39.849 23.007 -8.773) 46.843 16.001 ( 6.263 3.616 -9.428) 11.882======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( 22.385 12.924 10.837) 28.028 1.436 ( 18.256 10.540 20.989) 29.748 2.660 ( 40.061 23.129 21.329) 50.940 3.217 ( 7.311 4.221 -3.806) 9.260 3.675 ( 25.275 14.592 -4.792) 29.575 5.552 ( -1.056 -0.610 -11.002) 11.070 6.429 ( -0.128 -0.074 -0.210) 0.257 6.538 ( 1.840 1.062 -10.276) 10.493 7.192 ( -25.829 -14.912 2.465) 29.926 8.191 ( 4.996 2.885 0.688) 5.810 8.925 ( -15.506 -8.953 19.258) 26.296 9.569 ( -0.311 -0.180 -1.387) 1.433 11.231 ( -9.977 -5.760 -0.372) 11.526 12.077 ( -11.678 -6.742 -10.402) 17.030 12.416 ( -10.168 -5.871 -5.012) 12.766 12.688 ( -1.783 -1.029 0.291) 2.079 14.100 ( 15.058 8.694 5.344) 18.190 16.090 ( 4.110 2.373 -10.204) 11.254======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( 20.385 11.769 7.290) 24.641 1.945 ( 21.574 12.456 13.193) 28.189 3.374 ( 7.560 4.365 -3.868) 9.548 3.572 ( 35.321 20.393 11.613) 42.407 4.249 ( 26.202 15.128 -3.458) 30.452 5.497 ( -0.797 -0.460 -8.655) 8.704 6.426 ( -0.019 -0.011 -0.712) 0.713 6.495 ( -5.140 -2.967 -9.279) 11.015 6.748 ( -11.141 -6.432 4.835) 13.743 8.314 ( 5.471 3.159 1.923) 6.604 8.678 ( -12.522 -7.230 15.215) 20.990 9.475 ( -7.151 -4.128 -9.200) 12.362 10.979 ( -11.990 -6.923 -1.171) 13.895 11.749 ( -14.640 -8.453 -5.122) 17.664 12.168 ( -9.798 -5.657 -5.653) 12.647 12.642 ( -2.347 -1.355 0.628) 2.782 14.359 ( 7.184 4.148 8.353) 11.772 16.108 ( -0.008 -0.004 -6.293) 6.293======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.359 ( 16.359 9.445 5.497) 19.673 2.475 ( 22.431 12.950 7.540) 26.976 3.517 ( 6.209 3.585 -3.834) 8.130 4.255 ( 22.837 13.185 -4.022) 26.675 4.800 ( 22.922 13.234 4.037) 26.774 5.462 ( -0.099 -0.057 -4.081) 4.083 6.317 ( -5.452 -3.148 5.578) 8.411 6.421 ( -0.260 -0.150 -0.992) 1.036 6.701 ( 2.301 1.329 -2.169) 3.430 8.441 ( 5.012 2.894 2.706) 6.389 8.453 ( -11.614 -6.705 11.828) 17.881 9.190 ( -14.334 -8.276 -13.501) 21.360 10.702 ( -11.995 -6.925 -1.618) 13.945 11.411 ( -13.992 -8.078 -3.014) 16.435 11.953 ( -7.788 -4.496 -4.447) 10.032 12.593 ( -2.112 -1.219 0.679) 2.532 14.504 ( 3.920 2.263 6.354) 7.801 16.051 ( -3.523 -2.034 -2.730) 4.899======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.688 ( 11.504 6.642 3.858) 13.832 2.991 ( 21.980 12.690 3.175) 25.578 3.623 ( 4.368 2.522 -3.120) 5.930 4.514 ( 4.146 2.394 -19.090) 19.681 5.267 ( 14.436 8.335 9.530) 19.201 5.519 ( 7.164 4.136 6.394) 10.455 6.319 ( 1.614 0.932 7.970) 8.185 6.406 ( -0.709 -0.409 -1.012) 1.302 6.770 ( 4.220 2.436 -2.573) 5.510 8.249 ( -9.114 -5.262 7.988) 13.213 8.552 ( 4.014 2.318 2.759) 5.394 8.790 ( -16.311 -9.417 -11.153) 21.889 10.445 ( -10.271 -5.930 -1.594) 11.967 11.116 ( -11.324 -6.538 -2.719) 13.356 11.791 ( -5.544 -3.201 -3.158) 7.138 12.556 ( -1.327 -0.766 0.522) 1.619 14.589 ( 2.326 1.343 3.431) 4.357 15.943 ( -5.298 -3.059 -0.605) 6.148======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.895 ( 6.135 3.542 1.472) 7.235 3.475 ( 20.786 12.001 -0.800) 24.015 3.697 ( 3.052 1.762 -1.231) 3.733 4.383 ( -7.909 -4.566 -21.609) 23.459 5.494 ( 5.820 3.360 6.411) 9.288 5.779 ( 8.017 4.629 13.816) 16.631 6.344 ( -0.998 -0.576 -2.737) 2.970 6.385 ( -0.845 -0.488 -0.964) 1.371 6.865 ( 4.462 2.576 -0.673) 5.196 8.129 ( -3.094 -1.786 3.795) 5.212 8.453 ( -10.738 -6.199 2.244) 12.600 8.636 ( 2.608 1.506 2.329) 3.807 10.243 ( -7.033 -4.060 -1.289) 8.222 10.895 ( -7.347 -4.242 -3.012) 9.002 11.681 ( -3.455 -1.995 -2.818) 4.884 12.537 ( -0.577 -0.333 0.307) 0.734 14.639 ( 1.553 0.897 1.191) 2.153 15.823 ( -5.128 -2.961 0.048) 5.921======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.972 ( 0.757 0.437 -1.198) 1.483 3.756 ( 2.216 1.280 1.206) 2.829 3.898 ( 15.856 9.154 -7.847) 19.919 4.083 ( -10.125 -5.846 -16.231) 20.003 5.570 ( -1.699 -0.981 1.254) 2.329 5.843 ( -4.156 -2.399 2.683) 5.498 6.323 ( 1.143 0.660 -1.521) 2.014 6.366 ( -0.401 -0.231 -1.020) 1.120 6.946 ( 2.634 1.521 -0.100) 3.043 8.078 ( -3.150 -1.818 0.687) 3.701 8.415 ( 4.457 2.573 19.571) 20.237 8.681 ( 0.676 0.390 1.915) 2.068 10.132 ( -2.408 -1.390 -1.031) 2.965 10.775 ( -2.245 -1.296 -3.160) 4.087 11.617 ( -1.355 -0.782 -3.381) 3.726 12.529 ( -0.241 -0.139 0.123) 0.304 14.669 ( 1.011 0.584 0.281) 1.201 15.725 ( -3.338 -1.927 -0.643) 3.908======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.929 ( -3.781 -2.183 -2.608) 5.086 3.669 ( -15.562 -8.985 -17.176) 24.858 3.798 ( 0.794 0.458 2.609) 2.766 4.289 ( 14.884 8.593 -7.691) 18.829 5.423 ( -7.385 -4.264 -9.300) 12.618 5.725 ( -6.525 -3.767 -0.470) 7.549 6.331 ( -2.405 -1.389 4.906) 5.637 6.363 ( 0.409 0.236 -1.168) 1.259 6.984 ( 0.934 0.539 0.602) 1.235 8.032 ( -1.353 -0.781 5.283) 5.509 8.676 ( -1.698 -0.981 1.723) 2.610 8.693 ( 12.326 7.117 21.700) 25.951 10.135 ( 2.999 1.731 -0.913) 3.581 10.778 ( 3.433 1.982 -2.709) 4.801 11.600 ( 1.153 0.666 -4.393) 4.590 12.525 ( -0.161 -0.093 -0.036) 0.189 14.684 ( 0.058 0.034 0.904) 0.907 15.676 ( -0.437 -0.252 -2.528) 2.578======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.793 ( -7.562 -4.366 -2.248) 9.017 3.243 ( -17.865 -10.314 -12.787) 24.270 3.800 ( -1.618 -0.934 2.510) 3.129 4.513 ( 6.754 3.900 -11.785) 14.133 5.295 ( -0.829 -0.479 -6.031) 6.106 5.532 ( -9.525 -5.499 -2.698) 11.324 6.229 ( -8.033 -4.638 6.778) 11.488 6.377 ( 1.183 0.683 -1.269) 1.864 7.005 ( 0.706 0.407 2.506) 2.635 8.047 ( 0.573 0.331 5.963) 5.999 8.616 ( -4.113 -2.375 1.550) 4.996 9.060 ( 13.610 7.858 17.813) 23.755 10.257 ( 8.050 4.648 -0.742) 9.325 10.909 ( 8.828 5.097 -1.298) 10.276 11.645 ( 4.494 2.594 -5.310) 7.425 12.523 ( 0.092 0.053 -0.207) 0.232 14.673 ( -1.729 -0.998 2.886) 3.509 15.690 ( 2.838 1.639 -5.244) 6.184======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( -11.303 -6.526 -0.502) 13.061 2.785 ( -19.907 -11.493 -7.867) 24.295 3.738 ( -4.557 -2.631 1.415) 5.449 4.435 ( -11.780 -6.801 -10.463) 17.161 5.210 ( -9.762 -5.636 -3.373) 11.766 5.452 ( 5.856 3.381 0.487) 6.780 6.083 ( -4.108 -2.371 5.052) 6.930 6.404 ( 1.495 0.863 -1.132) 2.064 7.040 ( 1.305 0.753 6.108) 6.291 8.082 ( 1.112 0.642 2.341) 2.670 8.507 ( -5.881 -3.395 1.012) 6.866 9.389 ( 10.897 6.291 10.835) 16.604 10.479 ( 11.596 6.695 -0.264) 13.393 11.157 ( 13.142 7.588 0.785) 15.196 11.772 ( 8.578 4.953 -5.664) 11.410 12.531 ( 0.751 0.434 -0.428) 0.967 14.623 ( -4.150 -2.396 5.721) 7.463 15.762 ( 5.367 3.099 -8.168) 10.253======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.281 ( -15.532 -8.967 2.280) 18.079 2.300 ( -21.886 -12.636 -2.100) 25.359 3.607 ( -7.156 -4.131 -0.118) 8.263 3.932 ( -29.337 -16.938 -4.944) 34.234 4.876 ( -18.735 -10.816 -6.373) 22.552 5.594 ( 3.134 1.809 8.632) 9.360 6.204 ( 14.232 8.217 -1.212) 16.478 6.431 ( 1.135 0.655 -0.631) 1.454 7.124 ( 4.287 2.475 12.772) 13.698 8.105 ( 1.049 0.606 -3.972) 4.152 8.369 ( -6.369 -3.677 -0.023) 7.354 9.600 ( 5.493 3.172 3.779) 7.383 10.758 ( 12.961 7.483 0.525) 14.976 11.489 ( 15.812 9.129 1.804) 18.347 11.988 ( 12.140 7.009 -5.306) 14.989 12.555 ( 1.632 0.942 -0.730) 2.021 14.526 ( -6.688 -3.862 8.988) 11.851 15.863 ( 6.238 3.602 -10.904) 13.068======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( 0.000 25.702 20.946) 33.157 1.136 ( 0.000 22.901 21.751) 31.584 1.703 ( 0.000 24.281 40.040) 46.827 3.047 ( -0.000 4.718 -5.521) 7.263 3.227 ( 0.000 20.440 -3.815) 20.793 5.579 ( -0.000 -0.011 -12.327) 12.327 6.457 ( 0.000 0.392 0.908) 0.989 6.490 ( -0.000 3.988 -5.674) 6.935 7.974 ( -0.000 -4.363 -3.823) 5.801 8.035 ( -0.000 1.651 -1.999) 2.592 9.238 ( 0.000 -13.324 5.530) 14.426 9.665 ( 0.000 -47.066 30.880) 56.292 11.466 ( 0.000 -5.020 1.828) 5.342 12.217 ( -0.000 1.099 -18.863) 18.895 12.656 ( -0.000 -6.497 -1.862) 6.759 12.678 ( -0.000 -2.148 -1.211) 2.466 13.562 ( 0.000 54.192 -8.347) 54.831 15.897 ( -0.000 -3.514 -6.478) 7.369======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 3.792 22.553 18.797) 29.604 1.453 ( 7.406 22.599 18.944) 30.405 2.372 ( 28.964 27.451 23.474) 46.297 3.156 ( 6.798 7.599 -5.594) 11.629 3.530 ( 11.033 24.472 -2.658) 26.976 5.533 ( -1.024 1.217 -12.582) 12.683 6.442 ( -1.716 -0.074 0.446) 1.775 6.512 ( 0.814 2.549 -6.964) 7.461 7.588 ( -29.756 -6.210 -0.781) 30.407 8.120 ( 5.012 1.055 -0.487) 5.145 8.978 ( -3.736 -28.804 20.202) 35.380 9.548 ( 2.152 -2.038 1.953) 3.550 11.337 ( -7.673 -6.254 0.925) 9.942 12.094 ( -4.515 -8.391 -12.469) 15.693 12.481 ( -8.260 -9.721 -3.169) 13.144 12.672 ( 1.118 -2.801 -0.702) 3.096 14.089 ( 8.407 29.087 2.923) 30.419 15.910 ( 8.866 -5.444 -10.664) 14.899======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( 13.206 17.194 16.460) 27.221 1.890 ( 10.567 23.697 10.720) 28.073 3.163 ( 25.760 14.660 7.426) 30.556 3.389 ( 13.833 17.368 -2.042) 22.297 4.020 ( 19.594 22.250 0.054) 29.648 5.489 ( -1.389 2.519 -10.930) 11.302 6.402 ( -1.674 -2.432 -0.146) 2.956 6.523 ( 0.367 2.459 -6.808) 7.248 7.037 ( -26.626 -4.599 4.383) 27.373 8.223 ( 6.572 -0.470 1.364) 6.729 8.759 ( -3.787 -17.308 13.997) 22.579 9.520 ( -4.319 -1.447 -6.937) 8.299 11.117 ( -11.070 -6.312 0.080) 12.743 11.840 ( -10.073 -11.005 -6.548) 16.293 12.215 ( -8.235 -11.402 -5.143) 14.975 12.656 ( -0.219 -1.541 -0.186) 1.567 14.401 ( 2.005 14.776 10.089) 18.004 15.969 ( 8.431 -7.120 -10.105) 14.963======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.296 ( 17.222 16.974 9.664) 26.041 2.314 ( 10.836 19.437 8.138) 23.695 3.454 ( 6.782 7.099 -3.661) 10.478 3.979 ( 24.960 16.892 -5.546) 30.645 4.584 ( 21.975 18.473 6.879) 29.521 5.465 ( -1.162 3.232 -7.366) 8.127 6.342 ( -1.643 -3.632 2.088) 4.500 6.503 ( -4.445 2.053 -2.358) 5.434 6.725 ( -8.170 -0.649 4.931) 9.565 8.321 ( 5.890 -4.870 3.843) 8.555 8.597 ( -4.994 -7.553 8.315) 12.294 9.310 ( -12.642 -5.280 -12.209) 18.351 10.855 ( -12.897 -5.565 -0.542) 14.057 11.523 ( -12.279 -11.110 -2.959) 16.822 11.976 ( -5.394 -10.203 -5.444) 12.760 12.638 ( -1.582 1.153 0.111) 1.960 14.546 ( -0.857 7.791 9.501) 12.317 15.970 ( 4.511 -9.328 -6.406) 12.181======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.667 ( 7.294 17.181 5.496) 19.457 2.785 ( 19.248 14.550 4.541) 24.553 3.596 ( 3.821 6.921 -3.510) 8.649 4.371 ( 11.529 7.845 -18.693) 23.321 5.128 ( 18.559 13.492 12.620) 26.187 5.483 ( 2.519 3.956 -0.163) 4.693 6.331 ( 0.877 -0.386 6.473) 6.543 6.429 ( -4.161 -0.400 2.263) 4.753 6.709 ( 2.865 -0.355 0.904) 3.026 8.289 ( -2.403 -10.622 6.147) 12.506 8.556 ( 0.751 2.175 1.566) 2.784 8.951 ( -16.330 -7.092 -11.288) 21.081 10.589 ( -12.271 -4.089 -1.043) 12.976 11.210 ( -11.668 -9.805 -1.932) 15.363 11.801 ( -3.206 -7.811 -4.354) 9.500 12.630 ( -2.870 4.914 0.211) 5.695 14.605 ( -1.133 2.925 6.244) 6.987 15.902 ( 1.320 -10.984 -3.142) 11.501======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.918 ( 2.659 13.941 2.895) 14.485 3.241 ( 18.899 11.304 -0.620) 22.031 3.706 ( 2.479 7.870 -1.746) 8.434 4.406 ( -3.863 3.240 -23.069) 23.614 5.453 ( 6.481 5.422 7.253) 11.136 5.704 ( 12.388 5.879 13.228) 19.053 6.342 ( -0.567 -2.926 -0.197) 2.987 6.373 ( -2.348 -2.208 0.684) 3.295 6.785 ( 5.831 -0.943 2.442) 6.391 8.163 ( -3.329 -5.027 3.129) 6.793 8.535 ( -6.162 -5.863 -6.736) 10.850 8.689 ( -4.077 2.396 5.707) 7.412 10.373 ( -9.955 -0.594 -1.256) 10.051 10.937 ( -8.796 -9.192 -1.987) 12.877 11.682 ( -1.946 -5.348 -3.733) 6.806 12.637 ( -4.329 8.798 0.230) 9.808 14.619 ( 0.205 -0.979 3.008) 3.170 15.794 ( 0.037 -11.475 -1.269) 11.545======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.040 ( -2.569 10.335 -0.349) 10.655 3.588 ( 13.460 2.005 -4.139) 14.225 3.864 ( 5.843 14.475 -0.992) 15.641 4.209 ( -13.088 3.140 -20.304) 24.360 5.586 ( 1.858 1.919 4.739) 5.440 5.886 ( -1.338 -2.252 7.220) 7.681 6.276 ( 1.293 -2.146 -5.817) 6.334 6.323 ( 0.866 -5.369 1.091) 5.547 6.877 ( 5.217 -2.057 2.554) 6.162 8.120 ( -1.650 0.273 1.896) 2.528 8.401 ( 0.592 -4.086 7.474) 8.538 8.733 ( -0.193 4.539 6.391) 7.841 10.244 ( -7.446 5.100 -0.955) 9.076 10.737 ( -3.046 -9.360 -2.356) 10.121 11.603 ( -0.863 -3.399 -4.046) 5.354 12.652 ( -5.999 11.556 0.241) 13.023 14.622 ( 2.187 -3.637 0.926) 4.344 15.684 ( 0.552 -10.836 -0.795) 10.879======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.037 ( -6.781 6.789 -2.382) 9.886 3.678 ( -0.361 -3.608 -8.210) 8.975 3.953 ( -12.809 5.311 -9.685) 16.914 4.156 ( 10.322 15.810 -6.466) 19.958 5.510 ( -9.831 -2.197 -8.030) 12.882 5.773 ( -4.161 -4.505 -0.058) 6.133 6.290 ( 2.989 -6.250 -0.378) 6.939 6.325 ( 2.638 -3.515 6.254) 7.644 6.930 ( 3.601 -3.789 2.053) 5.616 8.095 ( -2.901 1.682 4.355) 5.496 8.518 ( 9.512 -2.340 9.470) 13.625 8.810 ( 0.702 6.973 10.546) 12.662 10.216 ( -4.964 10.753 -0.272) 11.847 10.654 ( 4.836 -8.431 -2.474) 10.029 11.560 ( 0.805 -2.030 -4.997) 5.453 12.657 ( -7.341 12.346 0.215) 14.365 14.632 ( 3.491 -4.540 0.485) 5.748 15.606 ( 2.437 -9.407 -1.593) 9.848======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( -9.941 4.097 -2.325) 11.001 3.430 ( -17.246 -2.536 -13.971) 22.339 3.873 ( -4.082 4.040 1.297) 5.888 4.418 ( 7.553 11.477 -11.493) 17.913 5.318 ( -5.202 1.420 -10.439) 11.750 5.629 ( -8.276 -5.814 0.470) 10.124 6.266 ( 0.461 -8.696 3.370) 9.337 6.315 ( 0.703 -5.472 4.793) 7.308 6.948 ( 3.254 -5.345 2.753) 6.836 8.100 ( -1.609 3.295 5.786) 6.850 8.610 ( 2.054 -3.773 2.512) 4.976 9.017 ( 8.919 8.646 15.141) 19.584 10.278 ( -0.988 12.388 0.056) 12.427 10.727 ( 11.741 -3.932 -1.341) 12.454 11.563 ( 3.678 -0.944 -6.133) 7.213 12.646 ( -7.564 11.192 0.105) 13.509 14.650 ( 2.828 -3.863 1.870) 5.139 15.579 ( 5.246 -7.418 -3.553) 9.756======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.772 ( -12.972 2.083 -0.786) 13.161 3.031 ( -22.099 -2.425 -9.716) 24.262 3.828 ( -5.675 1.634 1.251) 6.036 4.506 ( -3.273 4.616 -13.225) 14.384 5.309 ( -3.354 1.537 0.984) 3.819 5.421 ( -3.719 -0.742 -4.969) 6.251 6.137 ( -5.108 -9.663 7.413) 13.207 6.322 ( 4.520 -5.082 0.194) 6.804 6.964 ( 4.485 -7.074 4.592) 9.552 8.129 ( -1.628 4.210 3.801) 5.901 8.565 ( -3.452 -3.183 1.313) 4.875 9.311 ( 10.780 6.605 10.074) 16.166 10.423 ( 4.913 10.564 -0.006) 11.651 10.950 ( 15.556 1.611 0.938) 15.667 11.634 ( 8.001 0.378 -6.990) 10.631 12.625 ( -6.318 8.843 -0.078) 10.868 14.655 ( -0.076 -2.741 4.815) 5.541 15.616 ( 8.098 -4.793 -6.304) 11.327======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.534 ( -16.626 -1.664 0.399) 16.714 2.588 ( -24.610 -1.784 -2.825) 24.836 3.714 ( -8.597 -1.260 -0.114) 8.690 4.261 ( -22.312 -3.289 -7.492) 23.765 5.054 ( -15.620 -6.670 -5.873) 17.971 5.574 ( 6.003 3.976 8.874) 11.428 6.079 ( 6.423 1.128 1.001) 6.598 6.359 ( 5.062 -4.105 -0.560) 6.541 7.002 ( 7.580 -9.288 7.694) 14.245 8.140 ( -2.819 3.959 -0.326) 4.871 8.461 ( -5.892 -1.574 0.689) 6.137 9.542 ( 7.533 3.652 3.339) 9.013 10.644 ( 9.978 8.573 0.229) 13.157 11.264 ( 17.595 3.730 2.474) 18.155 11.797 ( 12.785 2.174 -7.221) 14.843 12.610 ( -3.968 6.180 -0.314) 7.351 14.620 ( -3.985 -2.442 8.424) 9.633 15.709 ( 9.395 -1.443 -9.008) 13.095======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 0.000 20.466 20.825) 29.198 1.700 ( 0.000 21.661 14.502) 26.067 2.501 ( 0.000 35.661 17.726) 39.824 3.146 ( -0.000 9.274 -5.884) 10.983 3.709 ( 0.000 29.051 -1.417) 29.086 5.523 ( -0.000 3.752 -12.353) 12.910 6.461 ( 0.000 -0.524 0.227) 0.571 6.502 ( -0.000 1.155 -5.527) 5.646 7.821 ( -0.000 -7.599 -9.606) 12.248 8.093 ( 0.000 5.465 -0.639) 5.502 8.706 ( 0.000 -37.363 26.392) 45.744 9.530 ( -0.000 2.822 -1.014) 2.998 11.317 ( -0.000 -11.152 0.814) 11.182 12.007 ( -0.000 -9.314 -10.646) 14.145 12.440 ( -0.000 -13.910 -3.162) 14.265 12.627 ( -0.000 -2.324 -0.554) 2.390 14.352 ( 0.000 30.392 6.221) 31.023 15.718 ( -0.000 -7.896 -10.935) 13.488======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 2.975 17.167 17.158) 24.453 2.035 ( 6.814 22.603 12.212) 26.579 3.026 ( 14.860 27.504 6.325) 31.895 3.312 ( 10.063 12.760 -5.597) 17.187 4.051 ( 7.459 28.063 1.856) 29.097 5.523 ( -1.500 6.769 -10.517) 12.596 6.427 ( -2.680 -1.537 -0.022) 3.090 6.496 ( 1.136 -1.211 -3.804) 4.151 7.463 ( -24.541 -6.774 -2.219) 25.555 8.138 ( 1.847 0.456 2.042) 2.791 8.573 ( 7.147 -21.783 14.084) 26.906 9.544 ( -1.436 0.979 -5.038) 5.329 11.167 ( -4.046 -11.578 0.278) 12.268 11.839 ( -4.994 -10.534 -6.920) 13.557 12.201 ( -7.604 -16.277 -4.146) 18.438 12.623 ( 1.672 -1.619 -0.427) 2.366 14.621 ( -2.024 19.734 12.628) 23.516 15.684 ( 8.973 -8.908 -12.573) 17.831======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.247 ( 10.770 15.934 12.059) 22.700 2.420 ( 8.180 22.589 9.146) 25.707 3.393 ( 8.195 10.637 -3.281) 13.823 3.736 ( 20.723 18.152 -8.314) 28.776 4.506 ( 14.271 23.902 7.796) 28.909 5.532 ( -3.033 8.890 -7.612) 12.090 6.359 ( -2.731 -1.972 1.540) 3.704 6.488 ( 2.031 -4.487 -0.878) 5.003 7.022 ( -21.528 -1.666 5.572) 22.300 8.192 ( 4.995 -3.874 2.835) 6.927 8.538 ( 2.887 -10.034 4.693) 11.448 9.419 ( -9.510 -3.314 -10.306) 14.410 10.970 ( -7.685 -9.388 0.463) 12.141 11.596 ( -9.513 -10.194 -2.580) 14.180 11.912 ( -4.850 -15.722 -5.680) 17.406 12.645 ( 1.631 0.825 -0.474) 1.888 14.746 ( -5.958 11.654 13.357) 18.701 15.709 ( 9.349 -11.820 -10.209) 18.202======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.640 ( 14.320 13.259 7.460) 20.893 2.797 ( 6.945 23.305 5.799) 25.000 3.575 ( 5.586 7.198 -4.775) 10.287 4.163 ( 16.682 11.410 -16.037) 25.801 5.015 ( 17.096 17.794 12.256) 27.552 5.539 ( -3.445 8.503 -3.809) 9.934 6.332 ( -0.124 -1.402 4.067) 4.303 6.468 ( 1.306 -6.307 5.179) 8.264 6.768 ( -10.942 0.596 6.450) 12.716 8.219 ( 2.066 -5.774 2.575) 6.651 8.522 ( 2.490 -3.282 -0.566) 4.158 9.113 ( -15.222 -6.189 -12.667) 20.748 10.730 ( -10.512 -7.865 0.530) 13.139 11.326 ( -11.803 -6.996 -0.963) 13.754 11.716 ( -0.262 -12.407 -4.931) 13.353 12.694 ( 1.275 4.781 -0.497) 4.973 14.752 ( -7.790 5.910 10.014) 13.996 15.683 ( 6.562 -15.243 -6.213) 17.720======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.003 ( 10.989 11.271 6.412) 16.997 3.129 ( 6.139 20.420 -1.809) 21.399 3.712 ( 5.332 6.882 -3.670) 9.448 4.391 ( 5.350 9.599 -19.448) 22.338 5.439 ( 8.780 9.861 10.257) 16.719 5.606 ( 6.394 6.329 4.977) 10.282 6.301 ( -0.225 -7.496 2.375) 7.866 6.452 ( -4.171 -0.174 6.756) 7.942 6.696 ( 1.419 -3.256 6.216) 7.159 8.175 ( -2.017 -2.724 0.941) 3.517 8.517 ( -0.203 -3.943 -8.132) 9.040 8.800 ( -9.006 -3.218 -2.638) 9.920 10.501 ( -8.380 -5.224 0.319) 9.880 11.056 ( -13.323 -4.584 -0.940) 14.121 11.614 ( 0.986 -7.837 -3.770) 8.753 12.777 ( 0.097 10.006 -0.386) 10.014 14.681 ( -7.050 0.403 5.913) 9.211 15.601 ( 4.701 -17.421 -3.140) 18.316======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.220 ( -2.452 13.877 2.357) 14.288 3.391 ( 11.721 6.285 -5.771) 14.498 3.893 ( 6.317 12.650 -2.717) 14.399 4.409 ( -7.608 12.619 -17.860) 23.153 5.587 ( 2.353 3.511 6.317) 7.601 5.850 ( 8.261 -0.615 10.835) 13.639 6.219 ( -0.238 -7.633 -2.777) 8.126 6.321 ( -8.287 -3.281 0.330) 8.919 6.757 ( 6.146 -5.471 7.212) 10.942 8.150 ( -0.420 1.945 2.137) 2.920 8.389 ( -2.873 -3.824 -6.166) 7.803 8.764 ( 1.792 0.254 5.275) 5.577 10.374 ( -3.513 -0.071 0.299) 3.527 10.791 ( -12.633 -3.685 -0.872) 13.189 11.555 ( 0.305 -4.358 -3.852) 5.824 12.878 ( -3.086 15.403 -0.046) 15.709 14.581 ( -3.334 -4.894 2.558) 6.450 15.496 ( 4.483 -17.909 -1.498) 18.522======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.233 ( -7.484 8.506 -3.022) 11.726 3.592 ( 7.801 3.121 -3.293) 9.024 4.085 ( 0.160 11.540 -10.463) 15.578 4.331 ( -9.869 19.446 -8.836) 23.529 5.622 ( -4.708 -0.006 0.029) 4.708 5.798 ( -6.432 -6.510 -2.479) 9.481 6.173 ( 2.447 -6.516 -1.673) 7.158 6.242 ( 3.091 -6.380 9.083) 11.522 6.811 ( 5.168 -7.572 5.393) 10.635 8.172 ( -1.861 2.807 2.682) 4.306 8.399 ( 6.125 0.893 2.665) 6.739 8.836 ( 3.956 0.445 6.206) 7.373 10.390 ( 1.979 5.650 1.019) 6.073 10.570 ( -9.434 -2.328 -0.780) 9.748 11.509 ( 0.075 -2.789 -4.788) 5.541 12.953 ( -8.100 18.443 0.356) 20.146 14.512 ( 2.389 -7.824 0.700) 8.210 15.404 ( 5.550 -17.066 -1.154) 17.983======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.141 ( -9.204 4.352 -3.318) 10.708 3.650 ( -7.086 7.294 -6.325) 11.976 4.005 ( -8.897 5.238 -7.658) 12.855 4.461 ( 0.542 20.245 -8.265) 21.874 5.429 ( -10.120 2.012 -11.749) 15.637 5.684 ( -3.939 -5.573 2.811) 7.381 6.136 ( 2.799 -9.852 2.695) 10.591 6.256 ( 2.083 -9.044 9.308) 13.144 6.825 ( 4.342 -9.273 4.802) 11.309 8.184 ( -1.642 4.535 2.981) 5.670 8.530 ( 5.281 -0.165 2.834) 5.996 8.967 ( 8.461 1.821 7.182) 11.246 10.434 ( -0.914 -5.763 -0.616) 5.868 10.553 ( 3.392 15.665 2.407) 16.207 11.476 ( 1.530 -2.811 -6.059) 6.852 12.956 ( -12.031 16.639 0.409) 20.537 14.523 ( 6.483 -6.107 0.946) 8.957 15.351 ( 7.599 -15.187 -1.959) 17.095======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.992 ( -11.118 1.864 -1.938) 11.439 3.435 ( -23.792 10.509 -7.708) 27.128 3.926 ( -3.591 0.553 -1.358) 3.879 4.592 ( -2.387 15.074 -12.625) 19.807 5.361 ( 0.067 8.395 -4.659) 9.602 5.519 ( -9.849 -5.719 0.846) 11.420 6.077 ( 0.947 -12.923 4.625) 13.758 6.215 ( 1.439 -8.371 7.292) 11.195 6.818 ( 4.396 -10.428 5.263) 12.481 8.220 ( -1.622 6.021 2.080) 6.574 8.564 ( 0.155 -2.790 0.997) 2.967 9.191 ( 12.202 2.365 4.283) 13.147 10.423 ( 4.603 -2.234 -0.159) 5.119 10.812 ( 7.013 15.981 3.847) 17.872 11.478 ( 5.523 -3.325 -7.239) 9.693 12.885 ( -12.196 11.422 0.063) 16.709 14.599 ( 5.481 -2.186 3.431) 6.826 15.361 ( 10.542 -11.580 -3.837) 16.123======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.784 ( -14.587 -0.106 -0.800) 14.609 3.064 ( -28.063 8.189 -2.407) 29.332 3.838 ( -6.638 -1.076 -1.269) 6.843 4.549 ( -12.924 8.917 -11.467) 19.444 5.244 ( -14.994 -4.864 -1.123) 15.803 5.546 ( 6.966 8.626 6.103) 12.657 5.984 ( 2.685 -7.824 2.503) 8.642 6.218 ( 4.769 -6.136 3.732) 8.621 6.811 ( 5.249 -11.471 6.274) 14.089 8.243 ( -3.339 5.750 -0.367) 6.659 8.512 ( -2.459 -2.934 0.236) 3.835 9.412 ( 11.173 0.277 -1.218) 11.242 10.541 ( 9.981 0.714 0.428) 10.015 11.097 ( 8.971 11.091 4.404) 14.929 11.569 ( 11.596 -1.483 -7.746) 14.024 12.785 ( -9.383 6.275 -0.330) 11.292 14.656 ( 0.632 -1.360 6.814) 6.977 15.463 ( 13.063 -4.842 -5.796) 15.089======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.152 ( 0.000 15.125 18.491) 23.889 2.152 ( 0.000 16.782 8.936) 19.013 3.228 ( 0.000 31.199 -1.009) 31.215 3.314 ( -0.000 11.446 -5.156) 12.553 4.276 ( 0.000 28.162 3.415) 28.368 5.595 ( -0.000 11.643 -8.529) 14.433 6.437 ( -0.000 -1.750 -0.703) 1.886 6.442 ( -0.000 -6.084 -0.636) 6.117 7.542 ( -0.000 -13.302 -10.054) 16.674 8.238 ( 0.000 8.903 1.595) 9.045 8.302 ( 0.000 -19.385 17.491) 26.110 9.554 ( -0.000 0.857 -4.728) 4.805 11.054 ( -0.000 -15.570 -0.852) 15.593 11.758 ( -0.000 -10.044 -5.954) 11.676 12.089 ( -0.000 -19.317 -3.985) 19.724 12.585 ( 0.000 -1.873 0.423) 1.920 14.870 ( 0.000 14.998 16.796) 22.517 15.482 ( -0.000 -6.229 -15.022) 16.262======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.320 ( 3.028 14.422 11.310) 18.576 2.476 ( 10.492 15.034 10.929) 21.344 3.414 ( 1.961 13.610 -4.965) 14.620 3.599 ( 12.383 18.616 -9.321) 24.223 4.609 ( 5.924 26.149 7.137) 27.745 5.679 ( -2.920 15.101 -6.142) 16.562 6.368 ( 0.531 -10.011 2.050) 10.232 6.399 ( -0.921 -3.531 1.210) 3.845 7.284 ( -11.658 -9.284 -2.767) 15.158 8.146 ( -2.368 -2.970 6.486) 7.516 8.412 ( 5.182 -0.156 2.692) 5.841 9.489 ( -5.616 -2.427 -7.881) 9.977 10.907 ( 0.625 -14.574 -0.683) 14.604 11.611 ( -4.307 -9.098 -3.494) 10.655 11.815 ( -6.138 -19.894 -4.083) 21.216 12.604 ( 3.248 -0.323 0.176) 3.269 14.996 ( -4.291 6.906 17.395) 19.202 15.438 ( 5.369 -5.269 -13.858) 15.769======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.595 ( 9.189 12.950 7.932) 17.750 2.862 ( 12.992 16.760 8.338) 22.786 3.546 ( 2.854 8.388 -7.137) 11.377 3.949 ( 15.987 11.789 -12.558) 23.500 5.009 ( 10.156 21.272 9.550) 25.434 5.730 ( -6.553 14.800 -4.267) 16.738 6.281 ( 1.952 -14.637 4.825) 15.535 6.384 ( 1.650 -1.857 6.358) 6.826 7.015 ( -13.133 -2.541 3.485) 13.823 8.149 ( 2.178 -0.671 0.876) 2.442 8.460 ( 0.941 0.037 -0.684) 1.163 9.250 ( -13.084 -6.018 -12.148) 18.841 10.764 ( -3.631 -11.536 0.398) 12.100 11.425 ( -7.456 -6.498 -1.852) 10.063 11.554 ( -0.331 -16.913 -3.151) 17.207 12.683 ( 4.384 3.376 -0.420) 5.549 14.993 ( -7.655 2.904 13.352) 15.662 15.413 ( 4.331 -10.157 -9.157) 14.345======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.909 ( 11.754 10.170 4.956) 16.314 3.261 ( 8.265 20.549 4.327) 22.568 3.632 ( 5.668 2.896 -7.845) 10.102 4.271 ( 14.007 10.616 -12.368) 21.491 5.395 ( 11.087 13.152 9.598) 19.698 5.726 ( -7.329 11.614 -1.197) 13.786 6.185 ( 2.675 -16.882 6.599) 18.322 6.457 ( 3.871 -0.373 9.418) 10.189 6.812 ( -11.582 -0.399 4.996) 12.620 8.182 ( 0.768 2.010 -2.133) 3.030 8.448 ( -0.305 -2.470 -5.174) 5.742 8.917 ( -12.480 -5.582 -9.811) 16.827 10.568 ( -7.136 -8.568 1.586) 11.263 11.212 ( -9.760 -5.774 -3.870) 11.982 11.474 ( 4.753 -8.680 -0.044) 9.896 12.816 ( 5.046 8.225 -0.770) 9.681 14.889 ( -11.420 0.939 8.939) 14.533 15.324 ( 4.026 -16.785 -5.341) 18.068======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.209 ( 12.159 7.325 2.609) 14.433 3.445 ( -4.447 11.239 -4.633) 12.944 3.850 ( 13.050 12.232 -2.543) 18.066 4.519 ( 5.538 14.031 -11.945) 19.241 5.641 ( 1.235 4.880 6.517) 8.234 5.750 ( 3.057 3.944 5.304) 7.282 6.097 ( 2.872 -14.368 4.554) 15.343 6.480 ( -7.286 -0.819 3.080) 7.953 6.670 ( -2.329 -4.406 7.550) 9.046 8.202 ( -1.353 5.200 -1.328) 5.535 8.356 ( -1.602 -4.610 -9.909) 11.046 8.747 ( -1.374 -2.401 -0.288) 2.781 10.415 ( -4.231 -3.602 3.049) 6.339 10.971 ( -10.878 -4.706 -4.006) 12.511 11.490 ( 2.615 -2.474 -0.469) 3.631 13.005 ( 4.790 13.873 -0.694) 14.693 14.696 ( -12.834 -2.485 4.843) 13.941 15.204 ( 5.520 -20.999 -2.631) 21.871======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.399 ( -5.566 4.340 -7.113) 10.021 3.473 ( 9.970 5.803 2.478) 11.799 4.166 ( 5.843 18.518 -5.923) 20.301 4.639 ( -5.467 19.039 -9.895) 22.142 5.661 ( -1.028 -0.598 5.955) 6.072 5.803 ( -1.008 -7.609 2.546) 8.087 6.050 ( 3.961 -7.696 -2.181) 8.926 6.270 ( -10.962 -3.730 4.842) 12.551 6.668 ( 4.025 -8.547 7.125) 11.833 8.225 ( -0.839 2.565 0.010) 2.699 8.339 ( 3.915 3.500 -2.628) 5.872 8.754 ( 4.081 -3.538 1.087) 5.509 10.374 ( -0.735 -0.911 5.009) 5.144 10.759 ( -8.519 0.248 -4.252) 9.525 11.491 ( -0.946 0.180 -1.777) 2.021 13.218 ( 0.319 19.511 -0.108) 19.514 14.474 ( -8.019 -7.231 1.770) 10.942 15.096 ( 7.407 -22.023 -1.207) 23.267======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.302 ( -7.521 2.858 -4.113) 9.035 3.678 ( 7.544 4.725 -0.183) 8.903 4.272 ( -11.568 16.250 -11.604) 23.076 4.704 ( -5.627 22.212 -5.861) 23.651 5.590 ( -10.279 0.441 -8.490) 13.339 5.671 ( -0.416 -6.393 3.917) 7.509 6.015 ( 1.923 -9.964 0.957) 10.193 6.165 ( 0.303 -8.566 12.299) 14.991 6.667 ( 4.451 -10.614 5.687) 12.838 8.248 ( 0.090 4.208 -0.260) 4.217 8.468 ( 4.761 3.406 2.394) 6.324 8.820 ( 8.532 -3.715 -0.072) 9.306 10.341 ( -1.301 -6.570 4.046) 7.825 10.737 ( 0.270 12.757 -1.702) 12.872 11.448 ( -2.941 -0.318 -3.077) 4.268 13.336 ( -10.707 19.604 0.483) 22.343 14.360 ( 3.904 -6.937 0.466) 7.973 15.025 ( 9.531 -20.776 -0.948) 22.878======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.176 ( -9.379 2.377 -1.549) 9.799 3.803 ( 0.180 6.836 -1.490) 6.999 4.061 ( -20.736 8.061 -9.287) 24.109 4.804 ( -5.812 20.288 -9.024) 22.952 5.458 ( -4.218 7.725 -7.267) 11.414 5.599 ( -4.523 -5.441 4.221) 8.239 5.941 ( 1.627 -13.416 4.382) 14.207 6.137 ( 1.380 -8.648 11.609) 14.542 6.655 ( 4.550 -10.892 5.124) 12.868 8.302 ( -0.183 6.555 0.102) 6.559 8.527 ( 1.214 -2.447 0.790) 2.843 8.979 ( 13.114 -1.717 -2.261) 13.418 10.287 ( 2.867 -6.627 2.261) 7.567 10.945 ( 4.842 18.107 1.512) 18.804 11.373 ( -1.784 -3.821 -4.202) 5.953 13.239 ( -16.834 10.685 0.027) 19.938 14.468 ( 9.686 0.748 2.076) 9.934 15.020 ( 12.577 -16.436 -1.801) 20.774======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.018 ( -12.156 2.260 0.489) 12.374 3.636 ( -29.610 9.990 -2.890) 31.383 3.877 ( -0.656 -2.156 -3.931) 4.531 4.811 ( -9.752 14.849 -11.921) 21.395 5.430 ( -11.077 -4.314 2.542) 12.156 5.561 ( 4.430 10.497 3.945) 12.057 5.853 ( 2.504 -10.942 2.586) 11.519 6.131 ( 1.750 -5.242 10.256) 11.650 6.648 ( 4.466 -9.569 4.793) 11.596 8.347 ( -2.472 5.660 -0.909) 6.243 8.496 ( 0.025 -3.963 -0.431) 3.986 9.168 ( 13.513 -3.630 -7.081) 15.682 10.349 ( 9.339 -3.099 1.810) 10.005 11.194 ( -0.508 15.016 5.211) 15.903 11.330 ( 9.337 -5.891 -7.217) 13.190 13.034 ( -14.559 3.760 -0.585) 15.048 14.620 ( 4.858 -0.367 4.832) 6.862 15.149 ( 16.593 -4.665 -2.897) 17.478======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.476 ( 0.000 11.898 5.375) 13.055 2.518 ( 0.000 11.145 15.160) 18.816 3.502 ( -0.000 10.798 -4.240) 11.601 3.636 ( -0.000 15.884 -12.978) 20.512 4.843 ( 0.000 26.161 7.621) 27.249 5.857 ( -0.000 18.691 -4.208) 19.159 6.228 ( 0.000 -18.204 6.923) 19.476 6.391 ( -0.000 -2.183 -0.842) 2.340 7.238 ( -0.000 -10.826 -6.908) 12.842 8.168 ( 0.000 -3.380 5.763) 6.682 8.440 ( 0.000 9.688 2.705) 10.059 9.492 ( -0.000 -2.983 -7.028) 7.635 10.726 ( -0.000 -16.599 -1.760) 16.692 11.540 ( -0.000 -9.193 -6.811) 11.441 11.674 ( -0.000 -20.038 0.344) 20.041 12.559 ( 0.000 -1.374 0.860) 1.621 15.064 ( 0.000 -6.981 9.255) 11.593 15.395 ( -0.000 7.780 -5.264) 9.394======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.629 ( 4.162 11.159 6.974) 13.802 2.779 ( 12.421 9.336 10.167) 18.569 3.594 ( 0.097 9.332 -6.379) 11.304 3.788 ( 9.651 9.033 -11.664) 17.630 5.143 ( 3.591 22.935 7.402) 24.366 5.979 ( -4.671 14.435 -0.968) 15.202 6.080 ( 1.581 -19.168 7.826) 20.764 6.376 ( 0.949 -0.471 1.383) 1.742 7.103 ( -3.311 -6.491 -3.799) 8.217 8.161 ( -1.117 2.556 1.465) 3.150 8.513 ( -2.592 6.743 1.253) 7.332 9.348 ( -9.271 -5.548 -9.989) 14.714 10.620 ( 4.954 -13.712 -1.079) 14.620 11.369 ( -2.639 -15.856 -10.224) 19.050 11.478 ( -4.481 -10.153 6.246) 12.735 12.610 ( 6.160 0.646 0.402) 6.207 15.010 ( 1.530 -9.982 2.466) 10.395 15.422 ( -5.692 5.859 1.655) 8.335======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( 7.878 9.500 5.795) 13.634 3.178 ( 19.818 10.333 7.043) 23.433 3.619 ( -2.160 5.365 -8.826) 10.552 4.063 ( 16.405 7.695 -7.521) 19.619 5.431 ( 4.883 15.827 6.073) 17.642 5.942 ( 4.158 -20.929 12.581) 24.771 6.002 ( -8.765 11.472 -3.000) 14.746 6.434 ( 2.910 1.858 4.713) 5.843 6.972 ( -6.519 -2.604 -0.331) 7.027 8.192 ( 0.276 5.073 -1.798) 5.389 8.491 ( -5.531 3.055 -1.870) 6.590 9.042 ( -13.592 -6.501 -11.245) 18.800 10.559 ( -0.279 -9.041 0.055) 9.046 11.162 ( 0.277 -15.136 -7.775) 17.019 11.377 ( -0.893 -4.546 5.728) 7.368 12.767 ( 8.744 5.411 -0.247) 10.286 14.934 ( 1.367 -12.406 1.118) 12.531 15.313 ( -12.023 1.082 2.488) 12.325======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.103 ( 9.687 6.887 3.765) 12.468 3.582 ( -3.968 3.915 -6.853) 8.834 3.665 ( 21.840 12.355 3.394) 25.321 4.406 ( 16.609 9.008 -5.704) 19.736 5.629 ( 4.192 3.902 5.392) 7.866 5.878 ( 5.566 -16.421 9.943) 19.988 5.938 ( -9.961 9.097 -0.471) 13.498 6.500 ( 1.462 -0.880 4.383) 4.703 6.817 ( -10.559 -1.134 1.549) 10.732 8.249 ( 1.308 5.451 -3.592) 6.658 8.369 ( -7.969 -0.268 -6.953) 10.579 8.781 ( -7.018 -3.489 -4.312) 8.945 10.461 ( -3.141 -3.072 2.486) 5.048 10.987 ( -3.211 -12.213 -6.947) 14.413 11.412 ( 5.148 -1.150 3.928) 6.577 13.002 ( 9.698 11.274 -0.599) 14.884 14.821 ( -0.042 -14.106 1.400) 14.176 15.070 ( -14.857 -4.749 1.169) 15.641======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.334 ( 9.874 4.606 0.723) 10.919 3.522 ( -4.269 2.579 -3.906) 6.335 4.144 ( 16.919 16.110 0.494) 23.368 4.729 ( 10.847 12.542 -5.393) 17.437 5.677 ( 1.584 -6.496 6.493) 9.320 5.812 ( -6.851 -1.017 0.419) 6.939 5.897 ( 2.658 -5.826 4.254) 7.688 6.452 ( -7.717 -2.947 -1.147) 8.340 6.626 ( -7.528 -4.070 4.405) 9.626 8.236 ( -1.180 -1.203 -5.476) 5.729 8.342 ( 1.335 8.740 -1.159) 8.917 8.684 ( -0.835 -3.804 -0.852) 3.986 10.436 ( -2.110 2.669 6.308) 7.167 10.786 ( -3.744 -9.489 -7.706) 12.784 11.499 ( 2.752 1.567 1.561) 3.531 13.304 ( 9.783 17.185 -0.535) 19.782 14.646 ( -11.706 -6.818 2.657) 13.805 14.783 ( -2.379 -18.632 -1.320) 18.830======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.428 ( -4.951 3.698 -3.258) 6.986 3.560 ( 8.856 1.673 0.497) 9.026 4.499 ( 4.211 17.996 -4.166) 18.946 4.952 ( 0.402 17.469 -5.418) 18.295 5.629 ( -1.540 -5.926 5.705) 8.369 5.682 ( -4.866 -4.112 -1.843) 6.632 5.869 ( 2.141 -10.829 -0.034) 11.039 6.233 ( -10.677 -3.200 4.095) 11.875 6.539 ( 0.721 -8.118 4.200) 9.169 8.251 ( 2.726 2.789 -2.470) 4.617 8.463 ( 2.393 6.473 2.670) 7.400 8.655 ( 4.100 -5.057 -2.848) 7.106 10.393 ( -7.276 -3.173 6.616) 10.333 10.730 ( 5.999 2.340 -6.376) 9.061 11.523 ( -2.780 2.426 0.283) 3.701 13.623 ( 3.032 21.823 0.067) 22.032 14.347 ( -12.113 -5.981 0.612) 13.523 14.646 ( 8.768 -23.031 -0.465) 24.648======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.347 ( -7.814 3.752 0.246) 8.671 3.715 ( 8.346 0.045 -3.011) 8.872 4.522 ( -18.041 14.062 -6.892) 23.890 5.072 ( -4.750 19.048 -5.671) 20.434 5.569 ( -3.940 2.421 -5.567) 7.237 5.590 ( 0.141 -6.203 6.960) 9.324 5.775 ( 2.562 -14.397 -0.348) 14.628 6.123 ( -2.481 -3.374 12.602) 13.279 6.502 ( 3.281 -8.800 2.910) 9.832 8.339 ( 3.082 5.897 -1.463) 6.813 8.492 ( -0.652 -3.766 0.721) 3.889 8.749 ( 10.080 -0.497 -3.803) 10.785 10.255 ( -4.029 -5.019 3.765) 7.457 10.911 ( 10.137 6.281 -3.763) 12.504 11.459 ( -6.954 1.559 0.768) 7.168 13.643 ( -19.242 9.131 -0.001) 21.299 14.331 ( 9.886 5.680 0.866) 11.435 14.621 ( 13.517 -18.665 -0.504) 23.051======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.239 ( -10.125 3.757 2.509) 11.088 3.800 ( 4.219 -3.090 -6.058) 8.003 4.202 ( -27.649 7.943 -2.882) 28.911 5.080 ( -10.179 12.675 -9.841) 19.003 5.519 ( -3.243 -7.248 5.030) 9.400 5.592 ( 2.531 2.486 3.468) 4.961 5.728 ( 3.557 -2.303 -0.299) 4.248 6.134 ( -0.459 -0.275 14.603) 14.613 6.504 ( 4.848 -6.430 1.700) 8.230 8.411 ( -2.251 -4.028 -1.861) 4.976 8.448 ( 2.852 3.839 -0.621) 4.823 8.886 ( 10.592 -4.270 -8.280) 14.106 10.229 ( 3.435 -1.074 3.126) 4.767 11.092 ( 9.174 -4.635 -5.907) 11.855 11.376 ( -5.067 6.422 3.828) 9.032 13.337 ( -19.229 -0.180 -0.681) 19.241 14.517 ( 7.065 -3.731 2.444) 8.355 14.827 ( 19.355 4.389 -0.567) 19.854======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.694 ( 0.000 7.637 3.641) 8.461 2.796 ( 0.000 7.962 13.289) 15.492 3.664 ( -0.000 8.511 -3.553) 9.223 3.732 ( -0.000 4.935 -12.366) 13.314 5.352 ( 0.000 20.361 5.281) 21.035 5.848 ( 0.000 -25.834 15.388) 30.069 6.219 ( -0.000 19.341 -5.240) 20.038 6.349 ( -0.000 -1.709 -0.186) 1.719 7.047 ( -0.000 -4.839 -5.054) 6.997 8.210 ( 0.000 4.957 -0.798) 5.020 8.624 ( 0.000 7.210 1.851) 7.444 9.355 ( -0.000 -5.031 -9.167) 10.456 10.415 ( -0.000 -13.828 -1.302) 13.889 11.208 ( -0.000 -15.993 -9.455) 18.579 11.453 ( 0.000 -7.941 6.738) 10.414 12.543 ( 0.000 -0.857 0.711) 1.114 14.906 ( -0.000 -8.242 -2.009) 8.484 15.550 ( 0.000 4.874 5.836) 7.604======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( 6.795 7.335 3.983) 10.763 2.989 ( 11.085 5.398 10.912) 16.465 3.685 ( -2.154 4.828 -6.794) 8.609 3.858 ( 11.727 5.272 -5.361) 13.931 5.528 ( 1.706 4.807 4.826) 7.022 5.705 ( 3.046 -15.135 14.502) 21.181 6.253 ( -7.065 8.448 -2.652) 11.327 6.425 ( 2.943 6.932 -0.995) 7.596 6.991 ( -0.982 -2.469 -3.464) 4.366 8.253 ( -0.776 6.404 -2.385) 6.878 8.637 ( -5.847 4.907 0.241) 7.637 9.164 ( -11.473 -5.405 -10.174) 16.259 10.383 ( 8.693 -9.551 -0.993) 12.953 11.002 ( -2.489 -14.526 -6.744) 16.207 11.385 ( -2.343 -5.090 6.284) 8.420 12.631 ( 9.937 1.190 0.316) 10.013 14.817 ( -0.839 -8.267 -2.312) 8.625 15.534 ( -8.322 2.080 5.545) 10.214======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.041 ( 6.976 5.403 5.015) 10.149 3.354 ( 21.497 4.406 4.100) 22.324 3.677 ( -1.309 5.020 -2.075) 5.588 4.153 ( 18.275 5.217 -2.913) 19.227 5.517 ( 5.881 -18.408 11.875) 22.682 5.765 ( 1.610 5.025 4.355) 6.842 6.192 ( -8.547 7.154 -1.985) 11.321 6.497 ( -0.080 2.888 -0.670) 2.965 6.929 ( -4.122 -0.880 -1.690) 4.541 8.291 ( -0.921 5.640 -3.165) 6.533 8.525 ( -10.409 2.537 -4.779) 11.731 8.887 ( -11.109 -2.837 -4.975) 12.499 10.440 ( 4.271 -2.663 -0.342) 5.044 10.836 ( 1.205 -13.391 -5.417) 14.495 11.350 ( 1.197 -2.609 5.471) 6.179 12.878 ( 14.811 5.688 -0.113) 15.866 14.690 ( -2.661 -10.621 -1.684) 11.078 15.353 ( -15.880 -0.305 4.017) 16.383======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.222 ( 8.346 2.667 3.383) 9.392 3.578 ( 0.074 2.903 -4.345) 5.226 3.926 ( 22.174 8.120 7.120) 24.664 4.528 ( 20.043 5.897 -1.321) 20.935 5.508 ( 7.952 -15.306 11.201) 20.566 5.813 ( -0.959 1.083 -0.180) 1.458 6.074 ( -12.013 4.785 -1.958) 13.078 6.472 ( -2.362 -2.453 -2.568) 4.264 6.797 ( -10.486 -0.943 -1.316) 10.611 8.260 ( -4.517 0.151 -4.085) 6.092 8.428 ( -2.312 8.299 -4.143) 9.559 8.718 ( -6.825 -1.862 0.988) 7.143 10.495 ( 1.907 4.823 2.177) 5.625 10.699 ( -1.664 -12.437 -5.191) 13.579 11.419 ( 6.616 -1.141 2.955) 7.335 13.223 ( 16.554 10.722 -0.371) 19.726 14.520 ( -2.600 -13.585 -0.894) 13.861 15.036 ( -21.326 -2.089 2.251) 21.546======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.392 ( 9.091 0.489 0.522) 9.119 3.562 ( -4.039 4.076 -0.259) 5.744 4.406 ( 21.111 7.819 4.325) 22.924 4.906 ( 16.876 7.567 -0.461) 18.501 5.555 ( 6.978 -8.047 7.158) 12.833 5.741 ( -5.654 -3.004 -3.945) 7.520 5.870 ( -12.846 -2.252 0.250) 13.045 6.359 ( -5.759 -3.533 -6.288) 9.230 6.577 ( -11.172 -2.808 0.687) 11.540 8.231 ( 1.089 2.897 -0.842) 3.207 8.514 ( 2.409 8.615 -0.936) 8.994 8.598 ( -4.750 -4.212 1.206) 6.462 10.500 ( -6.965 -9.208 -0.489) 11.555 10.631 ( 5.525 7.652 -0.108) 9.439 11.522 ( 4.641 -0.681 0.510) 4.718 13.628 ( 17.064 13.986 -0.371) 22.066 14.356 ( 0.449 -14.791 -0.208) 14.800 14.633 ( -23.433 -2.861 0.751) 23.619======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.503 ( -2.658 3.299 0.902) 4.331 3.557 ( 5.483 -0.121 -0.969) 5.569 4.739 ( 6.429 5.531 0.798) 8.518 5.209 ( 7.949 10.637 -1.061) 13.321 5.573 ( -7.398 -5.019 3.084) 9.457 5.608 ( -0.959 -0.467 -1.377) 1.741 5.633 ( -2.525 -10.532 -1.723) 10.966 6.215 ( -5.383 0.504 -0.497) 5.430 6.425 ( -2.854 -5.356 0.921) 6.139 8.318 ( 3.746 4.733 -0.008) 6.036 8.485 ( -3.163 -5.215 0.113) 6.100 8.643 ( 4.242 5.137 -0.185) 6.665 10.303 ( -5.831 -6.692 0.015) 8.876 10.811 ( 6.143 6.921 -0.010) 9.254 11.541 ( -1.261 -1.274 0.008) 1.793 13.951 ( -0.035 -0.022 -0.000) 0.041 14.283 ( 3.367 4.443 0.064) 5.575 14.306 ( -3.716 -4.831 -0.063) 6.095======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.443 ( -8.144 3.621 4.147) 9.830 3.653 ( 6.884 -2.623 -5.558) 9.228 4.647 ( -18.392 0.508 -2.102) 18.519 5.280 ( -8.824 -6.486 -5.131) 12.094 5.422 ( 3.207 -2.758 4.225) 5.978 5.570 ( 2.746 0.399 1.107) 2.987 5.697 ( 4.290 6.640 -0.057) 7.905 6.223 ( -0.799 5.346 10.965) 12.225 6.375 ( 3.562 -4.288 -3.448) 6.555 8.344 ( -0.753 -6.969 -1.780) 7.232 8.474 ( 2.460 6.431 -0.313) 6.893 8.721 ( 3.060 -1.771 -2.995) 4.634 10.214 ( -0.345 -0.405 1.803) 1.880 10.921 ( 3.701 -3.256 -2.654) 5.599 11.490 ( -2.877 0.808 1.392) 3.297 13.633 ( -19.187 -9.698 -0.405) 21.503 14.321 ( 8.274 -5.824 0.428) 10.127 14.645 ( 15.823 19.324 0.450) 24.980======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.825 ( 0.000 3.750 2.808) 4.685 3.010 ( 0.000 4.463 13.946) 14.643 3.726 ( -0.000 2.096 -5.913) 6.273 3.781 ( -0.000 5.777 -2.905) 6.466 5.402 ( 0.000 -22.675 14.108) 26.706 5.741 ( 0.000 9.897 3.724) 10.574 6.323 ( 0.000 -1.046 0.527) 1.171 6.511 ( -0.000 13.831 -5.966) 15.063 6.971 ( -0.000 -0.708 -2.811) 2.899 8.309 ( -0.000 5.884 -4.097) 7.170 8.734 ( 0.000 3.563 0.039) 3.563 9.201 ( -0.000 -3.170 -10.276) 10.754 10.191 ( -0.000 -8.629 -0.112) 8.630 10.889 ( -0.000 -10.616 -6.204) 12.296 11.383 ( 0.000 -4.626 7.155) 8.520 12.534 ( 0.000 -0.383 0.361) 0.526 14.764 ( -0.000 -4.595 -2.310) 5.143 15.636 ( 0.000 0.394 5.017) 5.033======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.961 ( 9.583 2.550 1.746) 10.069 3.143 ( 8.140 1.723 13.429) 15.798 3.729 ( -0.769 3.684 -1.241) 3.963 3.925 ( 11.874 4.045 -2.207) 12.737 5.275 ( 4.283 -20.068 14.512) 25.133 5.831 ( -0.138 6.389 0.459) 6.407 6.304 ( -1.867 0.156 0.118) 1.878 6.576 ( -3.106 8.125 -6.064) 10.603 6.956 ( -0.912 0.336 -1.608) 1.879 8.339 ( -0.451 4.152 -5.351) 6.788 8.694 ( -7.574 1.916 -2.664) 8.254 9.045 ( -10.349 -0.172 -6.382) 12.160 10.246 ( 12.271 -4.005 -0.592) 12.922 10.742 ( -4.153 -7.858 -4.558) 9.988 11.351 ( -1.457 -3.124 6.778) 7.604 12.655 ( 13.344 0.910 0.096) 13.376 14.685 ( -4.206 -3.802 -1.570) 5.883 15.572 ( -8.886 -1.071 3.556) 9.630======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.121 ( 7.076 -0.058 3.134) 7.739 3.443 ( 18.729 1.836 5.842) 19.705 3.775 ( 2.940 3.560 4.999) 6.805 4.228 ( 19.417 3.793 0.022) 19.784 5.261 ( 8.122 -13.978 12.926) 20.699 5.852 ( -1.636 1.332 -2.192) 3.042 6.247 ( -5.576 0.510 -2.118) 5.987 6.521 ( -6.143 1.496 -6.265) 8.901 6.914 ( -4.818 0.155 -1.595) 5.077 8.320 ( -2.960 0.483 -6.057) 6.759 8.555 ( -7.283 4.320 -4.951) 9.809 8.878 ( -10.212 2.538 2.145) 10.739 10.454 ( 11.583 3.511 0.125) 12.104 10.589 ( -3.120 -7.674 -4.631) 9.490 11.341 ( 1.412 -2.099 5.289) 5.863 12.963 ( 20.252 2.586 -0.228) 20.418 14.538 ( -8.085 -3.640 -0.781) 8.901 15.350 ( -16.650 -1.881 1.964) 16.871======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.242 ( 7.961 -2.305 1.709) 8.462 3.657 ( 0.491 5.697 1.499) 5.912 4.047 ( 24.151 -1.922 9.347) 25.967 4.622 ( 21.792 3.821 2.338) 22.248 5.355 ( 10.090 -6.847 10.033) 15.791 5.785 ( -4.033 -2.482 -4.878) 6.798 6.089 ( -12.317 -1.114 -3.887) 12.964 6.382 ( -5.769 -2.899 -8.192) 10.431 6.761 ( -11.593 -1.230 -3.403) 12.144 8.261 ( -1.196 2.165 -1.984) 3.171 8.534 ( -0.465 3.461 -3.030) 4.623 8.750 ( -10.044 4.008 5.641) 12.197 10.447 ( -2.969 -8.078 -5.880) 10.423 10.679 ( 5.876 10.563 3.899) 12.700 11.397 ( 6.145 -2.786 1.744) 6.969 13.345 ( 22.277 0.429 -0.373) 22.284 14.369 ( -8.174 -0.004 -0.345) 8.181 15.007 ( -22.069 -1.649 0.725) 22.142======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.355 ( 8.777 -3.721 -1.233) 9.612 3.677 ( -4.642 5.624 4.310) 8.471 4.453 ( 23.561 -7.724 6.552) 25.646 5.021 ( 19.465 3.046 4.526) 20.215 5.509 ( 8.177 -0.641 5.379) 9.809 5.659 ( -4.940 -2.129 -6.578) 8.497 5.789 ( -17.544 -4.546 -2.580) 18.306 6.246 ( -2.813 -1.836 -11.399) 11.884 6.527 ( -11.548 -1.681 -1.857) 11.816 8.324 ( 3.055 5.767 1.631) 6.727 8.495 ( -3.881 -4.368 0.121) 5.844 8.706 ( -3.782 7.495 4.447) 9.500 10.298 ( -3.429 -6.431 -4.765) 8.708 10.865 ( 0.772 11.497 5.328) 12.695 11.470 ( 5.492 -4.174 -1.437) 7.046 13.642 ( 17.307 -12.610 0.163) 21.414 14.340 ( -0.028 12.664 -0.886) 12.695 14.617 ( -22.737 1.942 0.229) 22.821======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.879 ( 0.000 0.147 2.162) 2.167 3.139 ( 0.000 -1.987 15.242) 15.371 3.778 ( 0.000 5.528 2.187) 5.945 3.849 ( -0.000 2.999 -2.171) 3.702 5.111 ( 0.000 -15.405 14.030) 20.837 5.875 ( -0.000 2.373 -1.514) 2.815 6.314 ( 0.000 -0.410 0.933) 1.019 6.654 ( -0.000 5.403 -7.630) 9.349 6.967 ( -0.000 1.119 -0.727) 1.335 8.350 ( -0.000 1.856 -7.236) 7.470 8.769 ( -0.000 0.683 -1.379) 1.539 9.130 ( -0.000 3.070 -9.173) 9.673 10.083 ( 0.000 -2.731 0.788) 2.842 10.729 ( -0.000 -2.397 -3.581) 4.309 11.363 ( 0.000 -2.515 7.541) 7.950 12.531 ( 0.000 -0.209 0.061) 0.218 14.701 ( -0.000 -0.744 -0.978) 1.228 15.643 ( 0.000 -1.980 2.483) 3.176======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.977 ( 9.545 -1.564 0.622) 9.692 3.211 ( 8.608 -4.898 14.417) 17.491 3.828 ( -1.107 4.697 3.982) 6.257 3.993 ( 12.426 4.154 1.659) 13.207 5.079 ( 4.883 -8.705 12.216) 15.775 5.860 ( -0.850 -2.405 -3.308) 4.178 6.297 ( -2.226 -0.517 -0.199) 2.293 6.615 ( -4.983 0.621 -8.115) 9.543 6.967 ( -1.551 1.085 -0.450) 1.946 8.325 ( -0.859 -0.413 -8.158) 8.214 8.695 ( -7.136 0.603 -3.462) 7.954 9.076 ( -7.291 5.980 -2.976) 9.888 10.215 ( 14.655 0.795 0.072) 14.677 10.650 ( -6.701 1.315 -3.379) 7.619 11.355 ( -1.494 -1.289 7.290) 7.552 12.663 ( 14.779 -0.144 -0.119) 14.781 14.650 ( -5.725 0.755 -0.526) 5.798 15.552 ( -8.917 -2.330 1.452) 9.330======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.090 ( 7.143 -4.403 1.510) 8.526 3.477 ( 21.988 -4.429 8.498) 23.986 3.869 ( 0.309 1.718 6.337) 6.573 4.318 ( 19.124 4.166 5.231) 20.260 5.183 ( 8.757 -1.616 9.450) 12.985 5.778 ( -2.001 -6.328 -5.072) 8.353 6.209 ( -6.636 -2.042 -3.495) 7.773 6.454 ( -8.436 -3.303 -8.695) 12.557 6.901 ( -7.192 -0.210 -2.580) 7.644 8.272 ( -0.582 -0.370 -5.641) 5.684 8.592 ( -4.324 1.496 -2.603) 5.264 9.000 ( -9.735 7.589 3.602) 12.858 10.426 ( 1.312 -3.474 0.006) 3.714 10.629 ( 7.873 11.630 -4.267) 14.678 11.346 ( -0.852 -1.035 5.981) 6.129 12.963 ( 20.531 -2.344 -0.264) 20.666 14.541 ( -8.519 3.950 -0.707) 9.417 15.320 ( -16.394 -1.685 0.903) 16.506======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.167 ( 7.864 -5.950 0.311) 9.866 3.778 ( 5.666 3.582 3.340) 7.490 3.968 ( 18.399 -12.064 8.821) 23.704 4.718 ( 21.002 2.544 7.888) 22.579 5.387 ( 10.062 4.244 5.914) 12.419 5.654 ( -1.993 -7.089 -6.098) 9.561 5.992 ( -13.317 -5.286 -5.169) 15.232 6.254 ( -6.251 -3.205 -11.235) 13.250 6.706 ( -12.202 -1.459 -4.787) 13.188 8.306 ( 4.320 2.890 -0.611) 5.234 8.532 ( -3.598 -1.490 -0.066) 3.895 8.931 ( -9.777 9.202 6.763) 15.034 10.317 ( -5.956 -1.469 -3.578) 7.102 10.947 ( 9.341 14.432 1.448) 17.252 11.341 ( 1.464 -3.959 1.894) 4.626 13.238 ( 17.443 -9.627 0.171) 19.924 14.489 ( -4.080 10.354 -2.106) 11.326 15.004 ( -20.215 1.864 1.140) 20.333======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.860 ( 0.000 -3.362 1.395) 3.640 3.127 ( 0.000 -9.239 14.040) 16.807 3.867 ( -0.000 0.144 -1.414) 1.421 3.972 ( 0.000 9.157 10.731) 14.107 5.024 ( 0.000 -1.876 10.243) 10.413 5.808 ( -0.000 -7.239 -4.213) 8.376 6.321 ( 0.000 0.415 1.195) 1.265 6.618 ( -0.000 -3.313 -8.738) 9.345 6.992 ( 0.000 1.571 0.119) 1.576 8.294 ( -0.000 -1.257 -8.968) 9.056 8.745 ( -0.000 -1.954 -2.248) 2.979 9.189 ( -0.000 8.311 -7.759) 11.369 10.097 ( 0.000 3.501 1.274) 3.725 10.746 ( -0.000 5.915 -2.199) 6.311 11.391 ( 0.000 0.184 8.253) 8.255 12.526 ( -0.000 -0.242 -0.111) 0.266 14.712 ( -0.000 1.937 -0.636) 2.038 15.609 ( 0.000 -2.337 1.271) 2.660======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.913 ( 8.577 -5.255 0.023) 10.059 3.142 ( 10.309 -11.516 12.563) 19.918 3.886 ( 2.103 -0.692 0.703) 2.323 4.162 ( 8.089 7.542 12.371) 16.594 5.111 ( 4.855 4.870 7.370) 10.080 5.695 ( -0.543 -11.524 -4.940) 12.550 6.287 ( -5.017 -0.265 -0.427) 5.042 6.494 ( -4.877 -6.763 -8.943) 12.227 6.986 ( -3.199 1.334 -0.900) 3.581 8.245 ( -0.240 -1.671 -7.693) 7.876 8.664 ( -4.580 -2.001 -2.545) 5.609 9.210 ( -4.800 9.449 -3.150) 11.056 10.274 ( 12.495 5.033 0.594) 13.483 10.743 ( -6.584 10.068 -3.240) 12.458 11.409 ( -2.330 1.876 8.338) 8.858 12.649 ( 13.667 -1.085 -0.160) 13.711 14.688 ( -4.711 3.094 -1.572) 5.851 15.521 ( -8.632 -1.357 1.788) 8.919======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.977 ( 6.989 -8.126 0.946) 10.759 3.360 ( 23.790 -13.162 6.824) 28.031 3.903 ( 0.149 -1.889 3.299) 3.805 4.464 ( 15.664 3.834 12.434) 20.364 5.315 ( 8.110 9.934 3.640) 13.331 5.550 ( 0.162 -13.233 -4.733) 14.055 6.123 ( -10.918 -4.795 -4.264) 12.664 6.298 ( -6.766 -5.055 -8.631) 12.076 6.868 ( -10.235 -0.776 -4.524) 11.217 8.244 ( 3.912 0.324 -2.684) 4.755 8.574 ( -3.230 -2.007 -0.869) 3.901 9.199 ( -7.676 10.321 2.466) 13.097 10.422 ( -3.222 3.163 -0.070) 4.516 10.859 ( 10.662 14.461 -5.127) 18.683 11.401 ( -4.943 2.583 7.794) 9.584 12.885 ( 15.854 -5.076 0.061) 16.647 14.635 ( -4.549 5.575 -3.652) 8.069 15.326 ( -14.828 1.981 2.952) 15.248======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.765 ( -0.000 -7.222 0.390) 7.233 2.979 ( 0.000 -14.695 11.318) 18.548 3.834 ( -0.000 -2.864 -0.741) 2.958 4.227 ( 0.000 6.245 15.570) 16.775 5.167 ( 0.000 10.863 4.301) 11.684 5.548 ( -0.000 -15.880 -4.132) 16.409 6.347 ( 0.000 1.380 1.445) 1.998 6.418 ( -0.000 -10.455 -9.209) 13.932 7.033 ( 0.000 2.811 -0.337) 2.832 8.200 ( -0.000 -2.217 -7.947) 8.250 8.661 ( -0.000 -5.022 -2.659) 5.683 9.323 ( -0.000 10.165 -7.088) 12.392 10.234 ( 0.000 9.565 1.442) 9.673 10.912 ( 0.000 12.291 -2.257) 12.496 11.494 ( 0.000 4.653 9.187) 10.298 12.522 ( -0.000 -0.029 -0.108) 0.112 14.740 ( -0.000 1.403 -3.269) 3.557 15.595 ( 0.000 -0.058 3.592) 3.592======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.771 ( 7.871 -9.391 -0.528) 12.264 2.935 ( 10.670 -17.315 8.738) 22.136 3.835 ( 3.683 -4.532 -0.006) 5.840 4.362 ( 5.986 0.695 15.108) 16.265 5.328 ( 4.041 7.941 -2.399) 9.228 5.387 ( 0.852 -10.672 0.728) 10.731 6.212 ( -7.426 -9.372 -6.564) 13.641 6.331 ( -4.168 -0.447 -1.929) 4.614 7.004 ( -6.853 1.721 -3.224) 7.767 8.172 ( 2.416 -1.375 -4.476) 5.269 8.581 ( -1.653 -4.962 -1.781) 5.524 9.382 ( -2.387 10.272 -3.796) 11.208 10.420 ( 7.264 9.624 0.502) 12.068 10.971 ( -5.389 15.051 -3.307) 16.326 11.552 ( -3.550 7.004 8.986) 11.933 12.625 ( 10.838 -1.165 0.006) 10.901 14.709 ( -2.357 0.591 -5.644) 6.145 15.554 ( -7.718 2.842 5.679) 9.995======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.579 ( -0.000 -11.960 -0.897) 11.994 2.707 ( 0.000 -19.926 7.143) 21.168 3.746 ( -0.000 -5.865 -0.216) 5.869 4.321 ( 0.000 -10.020 12.278) 15.848 5.185 ( -0.000 -16.773 1.080) 16.808 5.464 ( 0.000 15.001 -2.398) 15.192 6.146 ( -0.000 -8.603 -6.788) 10.959 6.391 ( 0.000 1.919 1.395) 2.373 7.090 ( -0.000 4.081 -3.729) 5.528 8.116 ( -0.000 -1.749 -4.049) 4.410 8.522 ( -0.000 -7.331 -1.981) 7.594 9.474 ( -0.000 9.572 -5.810) 11.198 10.473 ( 0.000 13.804 0.864) 13.831 11.173 ( 0.000 15.891 -2.475) 16.083 11.700 ( 0.000 10.246 8.571) 13.358 12.528 ( 0.000 0.715 0.157) 0.732 14.691 ( -0.000 -3.034 -7.671) 8.250 15.677 ( 0.000 4.473 8.415) 9.530======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( 0.000 0.000 27.730) 27.730 0.909 ( 0.000 0.000 27.730) 27.730 1.645 ( 0.000 0.000 52.406) 52.406 2.990 ( -0.000 -0.000 -5.769) 5.769 2.990 ( -0.000 -0.000 -5.769) 5.769 5.537 ( -0.000 -0.000 -14.828) 14.828 6.450 ( 0.000 0.000 0.937) 0.937 6.450 ( 0.000 0.000 0.937) 0.937 8.029 ( -0.000 -0.000 -1.930) 1.930 8.029 ( -0.000 -0.000 -1.930) 1.930 9.236 ( -0.000 -0.000 -1.966) 1.966 11.177 ( 0.000 0.000 5.242) 5.242 11.507 ( 0.000 0.000 1.720) 1.720 11.507 ( 0.000 0.000 1.720) 1.720 12.706 ( -0.000 -0.000 -1.094) 1.094 12.706 ( 0.000 -0.000 -1.094) 1.094 12.787 ( -0.000 -0.000 -1.703) 1.703 15.919 ( -0.000 -0.000 -0.748) 0.748======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 12.980 7.494 21.672) 26.350 1.283 ( 13.493 7.790 26.830) 31.026 2.071 ( 24.425 14.102 37.497) 46.920 3.042 ( 5.215 3.011 -5.507) 8.160 3.160 ( 16.728 9.658 -4.654) 19.869 5.477 ( -0.512 -0.296 -15.886) 15.897 6.439 ( -0.598 -0.345 0.626) 0.932 6.468 ( 0.617 0.356 -2.038) 2.159 7.770 ( -21.007 -12.128 0.243) 24.258 8.085 ( 4.012 2.316 -1.290) 4.809 9.259 ( -0.608 -0.351 -0.353) 0.786 9.965 ( -41.051 -23.701 25.461) 53.807 11.423 ( -6.545 -3.779 1.190) 7.651 12.113 ( 2.909 1.679 -15.690) 16.046 12.604 ( -7.658 -4.421 -1.797) 9.023 12.711 ( -0.310 -0.179 -0.708) 0.794 13.477 ( 42.891 24.763 -4.256) 49.709 15.926 ( 2.289 1.322 -5.844) 6.414======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( 19.320 11.154 13.852) 26.259 1.667 ( 14.261 8.234 24.082) 29.174 2.859 ( 34.587 19.969 16.459) 43.196 3.171 ( 7.601 4.388 -5.058) 10.130 3.645 ( 25.836 14.917 -0.023) 29.833 5.419 ( 0.206 0.119 -15.288) 15.289 6.428 ( -0.443 -0.256 0.065) 0.515 6.464 ( 0.151 0.087 -4.553) 4.557 7.226 ( -24.786 -14.310 4.100) 28.912 8.193 ( 5.723 3.304 -0.172) 6.610 9.094 ( -14.008 -8.088 13.919) 21.340 9.560 ( -7.204 -4.159 -0.253) 8.322 11.231 ( -10.498 -6.061 0.386) 12.128 11.970 ( -8.788 -5.073 -10.224) 14.404 12.375 ( -11.261 -6.502 -3.112) 13.370 12.688 ( -1.494 -0.862 -0.233) 1.740 14.158 ( 18.839 10.877 6.069) 22.585 15.980 ( 4.527 2.614 -11.045) 12.219======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( 18.745 10.822 9.149) 23.498 2.097 ( 17.793 10.273 16.702) 26.478 3.331 ( 7.765 4.483 -4.575) 10.066 3.628 ( 30.207 17.440 -1.707) 34.922 4.266 ( 27.689 15.986 7.806) 32.911 5.390 ( 1.507 0.870 -12.174) 12.298 6.419 ( -0.275 -0.159 -0.588) 0.669 6.435 ( -2.166 -1.251 -3.056) 3.949 6.805 ( -12.585 -7.266 6.361) 15.863 8.330 ( 6.141 3.546 1.202) 7.192 8.829 ( -13.773 -7.952 14.574) 21.572 9.375 ( -9.477 -5.472 -10.562) 15.209 10.970 ( -12.440 -7.182 -0.509) 14.373 11.695 ( -12.946 -7.474 -5.443) 15.909 12.117 ( -10.037 -5.795 -4.409) 12.400 12.646 ( -2.166 -1.251 0.141) 2.505 14.454 ( 6.786 3.918 10.289) 12.932 16.026 ( 2.205 1.273 -9.818) 10.143======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( 15.299 8.833 6.082) 18.683 2.562 ( 19.504 11.261 9.674) 24.511 3.478 ( 6.505 3.755 -3.808) 8.421 4.139 ( 17.517 10.113 -17.489) 26.739 4.900 ( 24.592 14.198 14.090) 31.700 5.413 ( 3.827 2.210 -5.205) 6.828 6.374 ( -1.984 -1.146 5.415) 5.880 6.410 ( -0.360 -0.208 -1.097) 1.173 6.704 ( 0.199 0.115 2.638) 2.648 8.467 ( 5.362 3.096 2.364) 6.628 8.565 ( -13.539 -7.816 9.391) 18.237 9.065 ( -14.119 -8.152 -10.258) 19.262 10.688 ( -12.226 -7.059 -1.241) 14.172 11.379 ( -13.538 -7.816 -3.228) 15.962 11.908 ( -7.336 -4.235 -4.424) 9.556 12.598 ( -2.061 -1.190 0.307) 2.399 14.579 ( 2.233 1.289 8.295) 8.687 16.005 ( -1.548 -0.893 -6.298) 6.547======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.724 ( 10.464 6.042 3.230) 12.507 3.024 ( 19.666 11.354 3.477) 22.973 3.595 ( 5.001 2.887 -2.229) 6.190 4.286 ( 2.695 1.556 -25.003) 25.196 5.361 ( 11.273 6.508 7.673) 15.110 5.609 ( 13.941 8.049 11.591) 19.837 6.369 ( -1.518 -0.876 1.642) 2.402 6.394 ( -0.671 -0.387 -1.316) 1.527 6.767 ( 4.055 2.341 2.026) 5.101 8.299 ( -10.790 -6.230 0.754) 12.482 8.581 ( 3.963 2.288 2.856) 5.394 8.736 ( -12.656 -7.307 1.673) 14.709 10.429 ( -10.245 -5.915 -1.560) 11.933 11.086 ( -11.386 -6.574 -3.035) 13.493 11.755 ( -5.171 -2.986 -4.057) 7.219 12.560 ( -1.358 -0.784 0.284) 1.593 14.631 ( 0.731 0.422 4.824) 4.898 15.923 ( -4.055 -2.341 -3.446) 5.814======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.903 ( 5.018 2.897 0.135) 5.796 3.457 ( 18.604 10.741 -2.739) 21.656 3.691 ( 3.968 2.291 0.181) 4.586 4.146 ( -6.357 -3.670 -24.260) 25.346 5.556 ( 5.107 2.948 5.487) 8.055 5.921 ( 4.560 2.633 13.029) 14.052 6.281 ( -2.312 -1.335 -8.487) 8.897 6.373 ( -0.785 -0.453 -1.340) 1.618 6.871 ( 4.074 2.352 1.529) 4.947 8.142 ( -3.168 -1.829 0.256) 3.668 8.553 ( -5.381 -3.107 15.562) 16.756 8.662 ( 2.365 1.365 2.706) 3.844 10.229 ( -6.887 -3.976 -1.485) 8.090 10.861 ( -7.429 -4.289 -3.392) 9.224 11.645 ( -3.400 -1.963 -4.263) 5.795 12.539 ( -0.629 -0.363 0.184) 0.749 14.655 ( 0.560 0.323 2.003) 2.104 15.814 ( -4.638 -2.677 -1.881) 5.676======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.954 ( 0.059 0.034 -2.132) 2.133 3.759 ( 2.209 1.276 -19.413) 19.580 3.773 ( 2.853 1.647 2.142) 3.929 3.950 ( 3.759 2.170 -9.577) 10.515 5.553 ( -7.760 -4.480 -5.978) 10.772 5.840 ( -5.223 -3.015 -1.952) 6.338 6.351 ( 4.444 2.566 7.123) 8.779 6.354 ( -0.388 -0.224 -1.356) 1.428 6.947 ( 2.455 1.417 0.349) 2.856 8.109 ( -1.587 -0.916 5.244) 5.555 8.628 ( 5.954 3.437 21.580) 22.649 8.703 ( 0.481 0.278 2.400) 2.463 10.120 ( -2.295 -1.325 -1.311) 2.957 10.741 ( -2.105 -1.215 -3.361) 4.148 11.574 ( -1.540 -0.889 -5.105) 5.406 12.530 ( -0.293 -0.169 0.093) 0.350 14.674 ( 0.802 0.463 0.605) 1.106 15.714 ( -3.573 -2.063 -1.573) 4.415======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.902 ( -3.789 -2.188 -2.576) 5.077 3.482 ( -13.038 -7.527 -19.217) 24.411 3.825 ( 0.861 0.497 2.584) 2.769 4.196 ( 12.988 7.498 -10.356) 18.225 5.300 ( -7.252 -4.187 -14.428) 16.682 5.733 ( -6.771 -3.909 2.159) 8.111 6.349 ( 0.393 0.227 -1.426) 1.496 6.410 ( -2.257 -1.303 10.000) 10.334 6.988 ( 1.368 0.790 0.356) 1.620 8.104 ( -0.858 -0.495 8.555) 8.612 8.696 ( -1.813 -1.047 2.293) 3.105 8.904 ( 11.240 6.490 19.496) 23.421 10.124 ( 3.077 1.776 -1.242) 3.763 10.751 ( 3.952 2.282 -2.329) 5.124 11.546 ( 0.907 0.524 -6.325) 6.411 12.525 ( -0.222 -0.128 0.019) 0.257 14.694 ( 0.677 0.391 0.998) 1.268 15.650 ( -1.362 -0.787 -2.540) 2.988======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.774 ( -7.017 -4.051 -1.404) 8.223 3.107 ( -15.352 -8.863 -13.532) 22.301 3.821 ( -1.956 -1.129 1.741) 2.852 4.379 ( 6.163 3.558 -14.389) 16.053 5.227 ( 4.450 2.569 -6.939) 8.634 5.521 ( -12.242 -7.068 0.896) 14.165 6.318 ( -8.496 -4.905 10.043) 14.039 6.363 ( 1.208 0.698 -1.489) 2.041 7.024 ( 1.831 1.057 1.370) 2.519 8.119 ( -0.651 -0.376 7.930) 7.966 8.636 ( -4.311 -2.489 2.292) 5.480 9.219 ( 11.249 6.495 13.300) 18.591 10.247 ( 8.217 4.744 -1.180) 9.562 10.901 ( 9.701 5.601 -0.040) 11.202 11.580 ( 4.408 2.545 -7.599) 9.146 12.522 ( 0.008 0.004 -0.054) 0.055 14.706 ( -0.453 -0.262 3.421) 3.461 15.638 ( 1.426 0.823 -4.887) 5.157======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( 0.000 23.184 22.133) 32.052 1.353 ( 0.000 18.888 20.852) 28.135 2.112 ( 0.000 13.136 39.668) 41.786 2.984 ( -0.000 4.807 -6.872) 8.386 3.190 ( 0.000 21.943 -3.041) 22.152 5.429 ( -0.000 0.905 -17.354) 17.378 6.454 ( -0.000 0.955 -1.926) 2.149 6.466 ( 0.000 0.207 0.796) 0.823 7.938 ( -0.000 -6.929 -3.341) 7.692 8.017 ( -0.000 1.967 -1.639) 2.560 9.252 ( -0.000 -1.265 -0.381) 1.321 9.955 ( 0.000 -57.176 24.925) 62.373 11.483 ( 0.000 -5.249 1.521) 5.465 12.051 ( -0.000 3.765 -13.806) 14.310 12.639 ( -0.000 -7.139 -1.742) 7.349 12.667 ( -0.000 -2.005 -0.979) 2.231 13.499 ( 0.000 55.426 -4.590) 55.616 15.850 ( -0.000 -6.791 -3.339) 7.567======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 3.241 24.589 15.365) 29.176 1.689 ( 6.554 14.882 24.060) 29.040 2.596 ( 23.435 19.184 19.265) 35.894 3.094 ( 7.297 7.554 -6.572) 12.390 3.522 ( 11.682 25.991 2.192) 28.580 5.383 ( -0.545 2.922 -16.972) 17.230 6.446 ( -1.629 -0.035 0.174) 1.638 6.462 ( 0.018 1.083 -2.987) 3.177 7.584 ( -25.680 -7.590 -0.153) 26.779 8.111 ( 5.786 1.635 -1.175) 6.126 9.138 ( -4.033 -20.589 11.405) 23.880 9.588 ( -3.463 -13.964 5.964) 15.574 11.346 ( -8.010 -6.478 0.924) 10.343 11.976 ( -3.226 -6.085 -10.642) 12.677 12.455 ( -8.854 -10.443 -2.075) 13.848 12.664 ( 1.398 -2.756 -0.827) 3.199 14.116 ( 12.370 34.586 2.323) 36.805 15.816 ( 6.681 -7.325 -8.058) 12.776======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( 9.868 20.619 11.761) 25.707 2.042 ( 9.736 15.257 19.197) 26.383 3.193 ( 16.859 9.095 -1.011) 19.182 3.356 ( 18.879 17.620 -5.385) 26.380 4.067 ( 20.834 23.674 9.664) 32.983 5.360 ( -0.195 4.932 -14.417) 15.239 6.403 ( -1.833 -2.009 0.318) 2.738 6.474 ( 0.164 2.661 -3.247) 4.202 7.086 ( -24.158 -4.421 5.321) 25.129 8.231 ( 7.341 0.498 0.255) 7.362 8.899 ( -4.661 -20.171 13.534) 24.734 9.444 ( -7.239 -3.443 -8.096) 11.393 11.120 ( -11.520 -6.263 0.493) 13.121 11.773 ( -8.405 -8.896 -6.498) 13.857 12.173 ( -9.050 -12.322 -3.341) 15.649 12.653 ( 0.119 -1.626 -0.475) 1.698 14.506 ( 2.691 16.757 10.663) 20.043 15.858 ( 9.320 -6.666 -11.456) 16.203======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.378 ( 10.753 19.636 7.183) 23.512 2.428 ( 13.251 13.084 13.499) 23.000 3.414 ( 6.683 7.212 -4.231) 10.704 3.867 ( 21.075 13.490 -15.414) 29.389 4.699 ( 23.473 19.163 14.738) 33.696 5.379 ( 1.226 5.778 -9.261) 10.984 6.367 ( -0.227 -1.782 2.478) 3.060 6.485 ( -1.960 3.300 -1.138) 4.003 6.786 ( -10.738 -0.651 7.095) 12.887 8.355 ( 7.246 -2.870 2.652) 8.232 8.680 ( -6.386 -13.235 7.562) 16.527 9.190 ( -13.073 -5.859 -10.935) 18.022 10.852 ( -13.540 -5.225 0.034) 14.513 11.492 ( -11.764 -9.743 -3.028) 15.572 11.925 ( -5.255 -10.624 -4.539) 12.692 12.637 ( -1.295 0.975 -0.189) 1.632 14.651 ( -2.584 7.635 11.021) 13.654 15.890 ( 6.574 -8.071 -9.411) 14.032======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.719 ( 5.784 17.604 4.485) 19.065 2.838 ( 17.045 11.129 6.209) 21.282 3.562 ( 4.562 6.963 -3.064) 8.870 4.157 ( 8.605 7.493 -22.838) 25.530 5.258 ( 15.803 12.370 11.310) 23.036 5.493 ( 9.741 6.736 3.054) 12.231 6.371 ( 0.216 -1.170 1.634) 2.022 6.454 ( -5.007 2.082 2.239) 5.867 6.739 ( 1.348 0.437 4.887) 5.089 8.346 ( -3.736 -12.168 4.423) 13.476 8.546 ( 0.192 -0.834 -3.643) 3.742 8.883 ( -11.371 -6.191 -1.277) 13.010 10.582 ( -12.894 -3.660 -0.453) 13.411 11.190 ( -12.008 -8.940 -1.928) 15.094 11.755 ( -2.805 -7.822 -4.637) 9.516 12.631 ( -2.668 4.729 -0.026) 5.429 14.675 ( -3.247 2.233 7.558) 8.523 15.855 ( 2.993 -9.893 -5.997) 11.950======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( 0.999 13.843 1.245) 13.935 3.235 ( 17.043 8.598 -0.631) 19.099 3.692 ( 3.620 7.915 -1.034) 8.764 4.166 ( -4.165 5.239 -23.649) 24.578 5.515 ( 6.190 5.566 5.048) 9.735 5.848 ( 14.426 5.187 14.721) 21.254 6.301 ( -6.291 -4.005 -7.878) 10.848 6.379 ( -3.082 -1.244 0.876) 3.437 6.821 ( 4.566 0.526 4.176) 6.210 8.178 ( -3.906 -3.868 -0.043) 5.497 8.513 ( 0.543 -8.742 2.014) 8.988 8.759 ( -2.650 1.985 7.929) 8.592 10.363 ( -10.306 -0.189 -0.709) 10.332 10.916 ( -9.474 -8.299 -1.984) 12.750 11.639 ( -1.808 -5.364 -4.785) 7.412 12.639 ( -4.218 8.716 0.079) 9.683 14.654 ( -1.420 -1.612 3.892) 4.446 15.770 ( 1.004 -10.770 -3.450) 11.354======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.030 ( -3.583 9.900 -1.620) 10.652 3.534 ( 12.094 1.848 -7.071) 14.131 3.850 ( 5.272 11.363 -2.090) 12.700 4.013 ( -11.182 7.292 -16.946) 21.573 5.618 ( -2.356 0.470 0.651) 2.489 5.900 ( -8.784 -5.417 -4.696) 11.338 6.255 ( 8.018 -1.401 2.405) 8.487 6.344 ( 0.498 -1.892 3.474) 3.987 6.902 ( 3.729 -0.699 2.207) 4.390 8.149 ( -0.896 0.968 4.076) 4.284 8.494 ( 6.363 -8.179 9.795) 14.259 8.808 ( 0.183 4.933 8.232) 9.598 10.237 ( -7.571 5.703 -0.467) 9.490 10.713 ( -3.748 -8.416 -2.141) 9.459 11.555 ( -0.990 -3.537 -5.456) 6.578 12.654 ( -5.995 11.618 0.174) 13.075 14.634 ( 1.382 -3.997 1.394) 4.453 15.670 ( 0.822 -10.535 -2.084) 10.771======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.012 ( -6.896 6.645 -2.434) 9.881 3.549 ( -6.351 -1.239 -16.292) 17.530 3.890 ( -3.778 5.040 -3.364) 7.141 4.086 ( 6.961 14.959 -6.906) 17.886 5.387 ( -12.931 -2.819 -15.323) 20.247 5.787 ( -2.947 -3.541 2.837) 5.410 6.291 ( 2.369 -5.256 0.316) 5.774 6.412 ( 3.163 -3.285 10.321) 11.283 6.948 ( 2.818 -2.233 1.479) 3.888 8.155 ( -1.468 0.741 7.319) 7.502 8.597 ( 7.791 -5.663 6.515) 11.628 8.925 ( 4.346 6.135 11.243) 13.525 10.214 ( -5.309 11.740 -0.021) 12.884 10.632 ( 4.608 -7.485 -1.538) 8.923 11.502 ( 0.526 -2.242 -6.524) 6.919 12.659 ( -7.437 12.474 0.214) 14.524 14.638 ( 3.630 -4.468 0.603) 5.788 15.588 ( 1.993 -9.495 -1.863) 9.879======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.921 ( -9.468 4.341 -1.394) 10.509 3.282 ( -16.550 0.512 -14.717) 22.153 3.884 ( -2.817 3.006 0.811) 4.198 4.293 ( 5.539 10.950 -13.012) 17.885 5.206 ( -2.046 4.029 -10.977) 11.871 5.651 ( -9.398 -6.307 3.540) 11.859 6.282 ( 2.964 -6.380 0.658) 7.066 6.397 ( -2.793 -6.932 9.798) 12.323 6.972 ( 3.047 -3.545 1.880) 5.038 8.167 ( -1.232 1.049 7.391) 7.566 8.637 ( 1.100 -4.481 2.715) 5.353 9.145 ( 9.976 4.945 9.784) 14.822 10.278 ( -1.476 13.087 -0.221) 13.172 10.723 ( 11.962 -2.486 0.681) 12.237 11.492 ( 3.385 -1.105 -7.756) 8.534 12.647 ( -7.698 11.266 0.146) 13.646 14.670 ( 3.921 -3.234 1.931) 5.437 15.545 ( 4.040 -7.843 -2.967) 9.308======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 0.000 18.638 12.996) 22.722 1.895 ( 0.000 20.297 22.289) 30.146 2.661 ( 0.000 24.814 12.754) 27.899 3.083 ( -0.000 9.828 -6.363) 11.708 3.720 ( 0.000 29.926 4.494) 30.261 5.376 ( -0.000 6.460 -16.639) 17.849 6.460 ( -0.000 1.225 -2.914) 3.161 6.462 ( -0.000 -0.941 -0.079) 0.944 7.730 ( -0.000 -10.560 -8.519) 13.568 8.091 ( 0.000 6.313 0.257) 6.319 8.933 ( 0.000 -33.837 18.589) 38.607 9.530 ( 0.000 -3.067 1.088) 3.255 11.322 ( -0.000 -11.763 0.017) 11.763 11.906 ( -0.000 -7.278 -8.991) 11.568 12.411 ( -0.000 -14.580 -2.707) 14.829 12.624 ( -0.000 -1.961 0.026) 1.961 14.399 ( 0.000 37.564 3.170) 37.698 15.631 ( -0.000 -11.490 -6.202) 13.057======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.076 ( 3.637 15.930 12.875) 20.803 2.185 ( 4.147 19.243 18.153) 26.777 3.055 ( 12.530 20.853 -1.175) 24.356 3.251 ( 9.814 13.165 -6.305) 17.589 4.106 ( 9.085 28.423 9.201) 31.226 5.396 ( -1.007 10.160 -14.399) 17.652 6.426 ( -2.291 -1.676 -0.161) 2.843 6.467 ( 0.956 0.375 -1.917) 2.174 7.432 ( -17.858 -7.605 -3.768) 19.772 8.155 ( 1.369 3.231 1.491) 3.813 8.720 ( 2.963 -26.182 14.596) 30.122 9.491 ( -3.672 -0.963 -5.521) 6.700 11.168 ( -3.599 -11.995 -0.165) 12.525 11.769 ( -3.982 -8.599 -6.605) 11.550 12.167 ( -7.988 -17.046 -2.647) 19.010 12.620 ( 1.318 -1.335 -0.118) 1.880 14.738 ( -0.839 24.436 10.214) 26.498 15.569 ( 8.419 -11.015 -9.907) 17.040======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.372 ( 9.408 13.652 11.713) 20.300 2.523 ( 6.423 20.853 11.660) 24.740 3.347 ( 8.049 9.470 -5.989) 13.797 3.630 ( 17.981 16.194 -11.862) 26.950 4.614 ( 16.114 23.336 13.067) 31.225 5.438 ( -1.993 12.062 -10.715) 16.256 6.375 ( -1.451 -1.366 1.431) 2.453 6.486 ( 1.993 -1.045 0.389) 2.284 7.071 ( -18.053 -1.891 4.027) 18.593 8.221 ( 4.927 -2.517 2.836) 6.217 8.592 ( 1.157 -15.603 6.067) 16.781 9.312 ( -11.321 -4.281 -10.695) 16.151 10.975 ( -7.408 -9.401 0.520) 11.981 11.565 ( -8.297 -8.548 -3.366) 12.379 11.866 ( -5.569 -16.220 -3.448) 17.493 12.641 ( 1.541 0.841 -0.398) 1.800 14.883 ( -7.393 12.553 13.659) 19.970 15.599 ( 11.014 -11.330 -11.329) 19.443======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.718 ( 12.899 11.574 7.443) 18.861 2.860 ( 4.596 21.873 7.034) 23.431 3.520 ( 6.668 6.095 -6.238) 10.978 3.996 ( 13.694 12.466 -16.160) 24.577 5.148 ( 17.848 16.336 13.288) 27.604 5.494 ( -0.709 10.780 -4.979) 11.895 6.361 ( -0.003 -2.050 1.908) 2.800 6.519 ( 1.811 -0.761 4.498) 4.908 6.836 ( -11.004 0.023 6.894) 12.985 8.257 ( 2.763 -8.344 4.840) 10.034 8.499 ( 0.100 -5.761 -4.296) 7.187 9.003 ( -12.799 -6.485 -8.513) 16.683 10.738 ( -10.729 -7.545 1.001) 13.155 11.313 ( -11.578 -6.691 -1.371) 13.442 11.671 ( -0.398 -11.672 -3.956) 12.331 12.689 ( 1.381 4.602 -0.488) 4.829 14.857 ( -10.091 5.331 10.740) 15.671 15.610 ( 8.463 -14.012 -8.272) 18.341======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.061 ( 13.707 8.768 3.042) 16.553 3.117 ( -0.661 19.752 1.293) 19.805 3.670 ( 7.040 6.411 -4.733) 10.633 4.204 ( 3.019 12.811 -16.890) 21.413 5.514 ( 4.300 9.317 4.291) 11.122 5.679 ( 14.531 6.239 9.291) 18.341 6.308 ( -2.372 -6.315 -1.223) 6.856 6.498 ( -7.894 0.534 2.774) 8.384 6.769 ( 1.481 -2.226 7.724) 8.173 8.190 ( -2.157 -4.678 1.628) 5.402 8.431 ( -0.199 -5.900 -7.318) 9.402 8.801 ( -2.716 -3.408 1.858) 4.737 10.510 ( -8.967 -4.513 1.262) 10.118 11.045 ( -13.107 -4.858 -1.039) 14.017 11.575 ( 0.470 -6.758 -4.019) 7.877 12.773 ( 0.351 9.801 -0.386) 9.815 14.744 ( -9.136 -0.340 6.473) 11.202 15.559 ( 6.007 -16.366 -5.062) 18.153======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.219 ( -5.049 12.700 -3.136) 14.022 3.355 ( 11.794 6.220 -0.798) 13.357 3.851 ( 5.635 10.988 -5.938) 13.702 4.250 ( -7.203 16.367 -12.825) 22.006 5.640 ( 2.066 3.740 3.975) 5.836 5.943 ( 2.994 -4.239 6.079) 7.993 6.142 ( -2.463 -4.448 -8.882) 10.234 6.364 ( -5.112 -2.702 6.240) 8.507 6.823 ( 4.357 -4.143 5.572) 8.198 8.176 ( 0.736 2.101 2.845) 3.612 8.364 ( 2.706 -6.593 1.001) 7.197 8.809 ( 3.317 -1.348 3.601) 5.078 10.384 ( -4.200 1.189 1.740) 4.699 10.781 ( -12.382 -4.014 -0.938) 13.050 11.512 ( -0.473 -3.513 -4.638) 5.838 12.878 ( -2.787 15.341 -0.044) 15.593 14.609 ( -4.787 -5.461 2.935) 7.833 15.473 ( 5.141 -17.203 -2.887) 18.185======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.197 ( -6.917 7.119 -3.879) 10.657 3.554 ( 4.743 6.519 -4.395) 9.182 3.965 ( -2.373 9.940 -12.416) 16.080 4.265 ( -6.432 20.563 -4.348) 21.980 5.558 ( -14.463 -1.499 -12.516) 19.186 5.790 ( -1.459 -4.162 2.049) 4.863 6.185 ( 4.525 -6.665 3.054) 8.616 6.342 ( 2.823 -4.881 10.299) 11.742 6.859 ( 4.028 -6.168 3.987) 8.376 8.205 ( -0.839 1.105 4.162) 4.387 8.442 ( 8.291 -1.384 5.360) 9.969 8.883 ( 5.947 -1.613 2.949) 6.831 10.411 ( 1.232 7.730 2.866) 8.336 10.561 ( -9.019 -2.995 -0.904) 9.547 11.457 ( -0.799 -2.176 -5.601) 6.061 12.957 ( -7.986 18.545 0.357) 20.195 14.520 ( 1.894 -8.084 0.860) 8.347 15.389 ( 5.599 -16.724 -1.721) 17.720======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.111 ( -8.367 4.053 -2.543) 9.638 3.569 ( -12.031 12.378 -9.093) 19.510 3.934 ( -2.389 3.108 -6.607) 7.683 4.381 ( -2.701 19.612 -7.266) 21.089 5.299 ( -8.664 4.323 -12.887) 16.119 5.726 ( -4.459 -5.440 4.991) 8.625 6.171 ( 2.283 -8.448 3.822) 9.550 6.357 ( 1.609 -9.050 10.199) 13.730 6.869 ( 3.853 -7.870 3.810) 9.556 8.221 ( -0.694 2.041 4.430) 4.926 8.562 ( 4.474 -1.696 3.240) 5.779 9.012 ( 10.449 -1.331 1.520) 10.643 10.428 ( -2.061 -3.795 -0.396) 4.337 10.586 ( 4.391 15.237 3.924) 16.335 11.411 ( 0.635 -2.328 -6.633) 7.058 12.960 ( -12.162 16.640 0.367) 20.614 14.533 ( 7.133 -5.749 0.923) 9.207 15.333 ( 6.956 -15.200 -1.582) 16.791======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.234 ( 0.000 15.019 7.045) 16.589 2.356 ( 0.000 12.381 21.509) 24.818 3.185 ( -0.000 25.412 -7.369) 26.459 3.262 ( -0.000 11.982 -4.894) 12.943 4.343 ( 0.000 28.434 9.594) 30.009 5.486 ( -0.000 15.474 -12.822) 20.096 6.429 ( -0.000 -1.963 -0.753) 2.103 6.441 ( -0.000 -3.130 0.380) 3.153 7.432 ( -0.000 -12.124 -11.450) 16.676 8.258 ( 0.000 9.554 2.182) 9.800 8.475 ( 0.000 -24.133 16.669) 29.330 9.503 ( -0.000 -0.561 -5.296) 5.325 11.042 ( -0.000 -16.013 -1.481) 16.082 11.696 ( -0.000 -8.883 -6.156) 10.807 12.058 ( -0.000 -19.223 -2.183) 19.346 12.592 ( 0.000 -1.694 0.902) 1.919 15.020 ( 0.000 21.893 11.230) 24.605 15.353 ( -0.000 -11.316 -9.023) 14.473======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.424 ( 4.167 12.843 8.552) 15.983 2.606 ( 7.843 12.730 14.907) 21.113 3.350 ( 1.535 13.766 -7.818) 15.905 3.502 ( 11.545 15.895 -8.938) 21.583 4.702 ( 6.852 25.454 10.670) 28.438 5.594 ( -2.602 18.409 -10.527) 21.365 6.382 ( -1.209 -4.123 0.646) 4.345 6.424 ( 1.939 -4.958 3.318) 6.273 7.235 ( -6.358 -8.427 -6.659) 12.481 8.223 ( -5.155 -2.754 8.223) 10.089 8.445 ( 4.118 -5.267 4.087) 7.836 9.404 ( -7.624 -3.457 -8.913) 12.228 10.898 ( 1.451 -14.780 -0.978) 14.883 11.561 ( -3.021 -9.120 -5.815) 11.230 11.796 ( -6.836 -18.589 -0.076) 19.806 12.607 ( 2.719 -0.229 0.477) 2.770 15.172 ( -5.646 6.188 17.205) 19.136 15.298 ( 6.795 -3.629 -13.810) 15.813======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.679 ( 8.324 11.271 8.123) 16.195 2.952 ( 11.485 15.709 9.383) 21.603 3.461 ( 2.550 7.617 -9.577) 12.499 3.837 ( 14.838 12.820 -8.986) 21.569 5.111 ( 11.047 19.318 10.232) 24.493 5.669 ( -5.434 17.111 -7.594) 19.494 6.323 ( 0.523 -8.710 3.439) 9.379 6.453 ( 4.328 -2.665 6.888) 8.560 7.033 ( -9.282 -3.482 -0.011) 9.913 8.176 ( 0.492 -3.842 4.545) 5.971 8.448 ( -0.805 -0.870 -1.832) 2.182 9.130 ( -13.508 -6.386 -11.312) 18.741 10.767 ( -2.827 -11.670 0.162) 12.008 11.383 ( -5.094 -9.442 -5.379) 12.002 11.552 ( -2.619 -12.734 1.813) 13.127 12.680 ( 4.023 3.379 -0.185) 5.257 15.122 ( -7.570 -1.101 11.458) 13.777 15.322 ( 4.027 -5.813 -8.122) 10.769======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.959 ( 10.275 9.232 4.731) 14.601 3.310 ( 4.227 19.521 5.427) 20.698 3.547 ( 8.508 2.774 -8.963) 12.666 4.165 ( 12.037 13.177 -8.281) 19.675 5.488 ( 11.682 10.865 8.493) 18.073 5.704 ( -4.725 12.822 -2.976) 13.985 6.244 ( 0.459 -12.607 4.700) 13.463 6.540 ( 3.642 -1.268 6.684) 7.717 6.855 ( -9.538 -1.838 3.382) 10.286 8.175 ( 0.777 -1.044 0.721) 1.488 8.381 ( -3.449 -2.697 -7.760) 8.910 8.842 ( -8.116 -4.856 -5.024) 10.709 10.583 ( -6.471 -8.214 1.412) 10.552 11.172 ( -8.016 -8.326 -3.682) 12.130 11.478 ( 2.391 -5.497 0.613) 6.026 12.809 ( 4.938 8.165 -0.511) 9.555 14.976 ( -12.751 -0.727 8.207) 15.181 15.267 ( 4.840 -15.016 -5.859) 16.830======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.218 ( 9.609 7.110 -1.024) 11.997 3.419 ( -4.017 8.620 0.080) 9.511 3.818 ( 11.871 14.661 -3.884) 19.260 4.419 ( 3.749 16.521 -7.706) 18.611 5.688 ( -0.662 5.730 2.632) 6.340 5.808 ( 8.257 1.355 6.076) 10.341 6.116 ( -2.688 -11.557 -1.024) 11.910 6.504 ( -8.860 -1.876 2.024) 9.280 6.742 ( -0.281 -5.494 6.425) 8.458 8.198 ( 0.551 4.164 0.370) 4.217 8.275 ( 0.128 -4.522 -5.436) 7.072 8.747 ( 0.610 -3.134 0.105) 3.194 10.447 ( -3.798 -2.310 3.105) 5.423 10.934 ( -9.853 -6.942 -3.117) 12.449 11.483 ( 0.775 -0.476 -0.968) 1.328 12.999 ( 4.965 13.811 -0.438) 14.683 14.745 ( -14.426 -3.385 4.624) 15.523 15.172 ( 6.419 -20.025 -3.594) 21.333======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.326 ( -3.017 5.199 -6.794) 9.072 3.504 ( 6.605 5.101 3.279) 8.967 4.095 ( 1.903 19.488 -8.082) 21.183 4.561 ( -4.640 20.224 -5.420) 21.445 5.697 ( -4.205 0.389 -0.656) 4.274 5.799 ( -6.624 -8.176 -2.052) 10.721 6.030 ( 5.786 -5.977 0.017) 8.318 6.346 ( -5.437 -4.755 8.597) 11.228 6.730 ( 3.657 -8.884 5.231) 10.939 8.220 ( 0.637 -0.269 -0.418) 0.807 8.344 ( 6.472 4.640 2.995) 8.508 8.753 ( 4.362 -4.981 -1.078) 6.709 10.431 ( -0.731 1.344 6.011) 6.202 10.714 ( -7.454 -2.519 -4.381) 9.006 11.471 ( -2.538 1.862 -2.146) 3.810 13.218 ( 0.709 19.532 0.059) 19.545 14.492 ( -9.088 -7.823 1.724) 12.114 15.080 ( 7.797 -21.344 -1.871) 22.800======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.266 ( -6.729 4.199 -2.974) 8.471 3.671 ( 6.393 4.362 -1.184) 7.830 4.154 ( -12.975 18.143 -11.507) 25.099 4.654 ( -6.232 21.617 -3.986) 22.848 5.472 ( -12.116 2.773 -12.636) 17.724 5.728 ( -0.282 -5.598 6.071) 8.263 6.046 ( 4.181 -10.938 4.204) 12.441 6.284 ( 0.057 -7.562 10.980) 13.333 6.720 ( 4.460 -10.773 4.678) 12.563 8.248 ( 1.364 2.440 0.577) 2.855 8.500 ( 4.333 2.517 3.551) 6.142 8.799 ( 9.136 -5.520 -3.759) 11.316 10.389 ( -3.456 -6.536 5.346) 9.124 10.714 ( 3.454 11.874 -2.863) 12.693 11.419 ( -4.536 1.644 -2.577) 5.470 13.341 ( -10.687 19.570 0.470) 22.303 14.365 ( 3.996 -7.007 0.443) 8.079 15.015 ( 9.398 -20.432 -0.918) 22.508======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.524 ( 0.000 11.246 3.963) 11.924 2.685 ( 0.000 8.695 17.097) 19.181 3.460 ( -0.000 11.059 -3.847) 11.709 3.507 ( -0.000 14.672 -11.654) 18.737 4.928 ( 0.000 24.922 8.836) 26.442 5.784 ( -0.000 21.879 -9.689) 23.929 6.306 ( 0.000 -14.309 7.977) 16.382 6.384 ( -0.000 -2.029 -0.467) 2.082 7.153 ( -0.000 -8.442 -9.600) 12.784 8.235 ( 0.000 -9.129 7.548) 11.846 8.466 ( 0.000 9.599 2.388) 9.891 9.413 ( -0.000 -3.850 -8.648) 9.466 10.708 ( -0.000 -16.534 -1.765) 16.628 11.458 ( -0.000 -12.219 -8.228) 14.731 11.701 ( 0.000 -15.654 3.738) 16.094 12.568 ( 0.000 -1.464 1.036) 1.793 15.081 ( -0.000 -10.710 -5.539) 12.057 15.419 ( 0.000 11.814 9.543) 15.186======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.694 ( 5.826 10.125 5.548) 12.932 2.894 ( 9.404 8.237 11.695) 17.119 3.522 ( -1.649 9.482 -7.088) 11.953 3.698 ( 11.050 9.803 -5.928) 15.917 5.216 ( 3.901 20.899 6.764) 22.310 5.921 ( -5.204 20.400 -8.549) 22.723 6.188 ( 1.634 -18.998 11.057) 22.042 6.393 ( 3.121 -0.784 2.018) 3.798 7.050 ( -1.118 -5.356 -6.527) 8.517 8.183 ( -1.466 -1.572 3.037) 3.721 8.523 ( -3.913 6.697 0.688) 7.787 9.241 ( -10.509 -5.905 -11.030) 16.340 10.608 ( 5.415 -13.703 -1.155) 14.779 11.275 ( -1.829 -15.249 -8.057) 17.343 11.542 ( -4.812 -9.428 6.172) 12.253 12.615 ( 5.755 0.574 0.532) 5.808 14.994 ( 3.195 -10.900 -4.913) 12.375 15.478 ( -7.481 6.670 8.668) 13.251======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.922 ( 7.308 8.767 6.691) 13.230 3.242 ( 18.289 8.879 4.476) 20.817 3.543 ( -2.764 7.307 -4.952) 9.250 4.008 ( 16.164 8.955 -3.254) 18.763 5.485 ( 5.432 13.597 4.553) 15.333 5.951 ( -8.398 15.477 -5.972) 18.594 6.076 ( 3.211 -20.252 12.425) 23.976 6.476 ( 4.694 -0.014 3.508) 5.861 6.955 ( -4.132 -2.751 -3.166) 5.888 8.179 ( -0.424 2.961 -0.668) 3.065 8.464 ( -8.218 2.564 -3.595) 9.329 8.941 ( -11.795 -5.146 -8.516) 15.431 10.556 ( 0.738 -9.162 -0.732) 9.221 11.093 ( 0.388 -14.447 -5.623) 15.508 11.434 ( -1.646 -4.371 5.474) 7.196 12.766 ( 8.413 5.415 -0.021) 10.005 14.920 ( 3.298 -13.417 -3.449) 14.240 15.359 ( -14.257 1.839 6.222) 15.664======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.145 ( 7.888 6.740 4.506) 11.312 3.508 ( 0.325 2.357 -7.062) 7.452 3.714 ( 16.107 15.406 5.648) 22.993 4.365 ( 15.542 10.421 -2.120) 18.832 5.674 ( 4.985 3.824 3.486) 7.185 5.910 ( -8.162 7.736 -2.969) 11.631 5.989 ( 2.260 -14.850 9.578) 17.815 6.526 ( 1.345 -3.378 0.964) 3.761 6.820 ( -8.570 -2.030 -1.048) 8.869 8.217 ( 0.993 4.265 -2.436) 5.011 8.301 ( -7.826 0.640 -5.992) 9.878 8.755 ( -4.871 -2.146 -1.266) 5.471 10.478 ( -1.443 -2.695 0.683) 3.133 10.932 ( -3.072 -12.652 -3.717) 13.540 11.446 ( 3.426 -0.711 2.815) 4.491 12.997 ( 9.535 11.305 -0.264) 14.792 14.817 ( 2.577 -16.013 -1.869) 16.326 15.094 ( -17.877 -3.051 3.404) 18.452======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.337 ( 6.166 5.584 0.097) 8.320 3.496 ( -1.149 2.178 -1.240) 2.757 4.149 ( 13.207 18.068 0.339) 22.383 4.691 ( 9.179 14.042 -1.972) 16.892 5.738 ( 1.012 -4.061 4.695) 6.290 5.802 ( -5.879 -4.126 -2.047) 7.468 5.927 ( -0.435 -5.372 1.541) 5.606 6.439 ( -6.206 -5.481 -0.860) 8.324 6.657 ( -4.704 -5.388 1.660) 7.342 8.198 ( -0.192 -0.229 -2.006) 2.028 8.334 ( 3.412 8.589 -0.359) 9.248 8.679 ( -1.478 -3.753 -0.239) 4.041 10.490 ( 0.714 4.535 3.529) 5.790 10.723 ( -5.387 -11.524 -4.012) 13.339 11.510 ( 1.716 1.952 0.533) 2.653 13.300 ( 9.881 17.198 -0.189) 19.835 14.666 ( -8.985 -9.406 1.109) 13.055 14.772 ( -5.535 -16.117 -0.642) 17.053======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.403 ( -4.319 6.082 -1.690) 7.648 3.562 ( 7.247 0.202 -0.001) 7.249 4.453 ( -0.202 20.283 -4.798) 20.844 4.914 ( -0.370 18.084 -2.161) 18.217 5.629 ( -8.257 -1.832 -6.684) 10.780 5.692 ( -0.879 -6.052 5.385) 8.149 5.869 ( 2.249 -11.049 0.252) 11.279 6.291 ( -3.931 -6.040 6.741) 9.868 6.571 ( 1.387 -9.326 1.904) 9.619 8.232 ( 2.729 2.963 -1.019) 4.155 8.492 ( 3.728 6.959 2.900) 8.410 8.623 ( 2.415 -6.107 -3.226) 7.316 10.459 ( -8.410 -6.624 6.150) 12.346 10.667 ( 7.630 5.296 -5.725) 10.910 11.525 ( -3.092 2.992 -0.062) 4.303 13.625 ( 3.395 21.823 0.242) 22.087 14.353 ( -12.669 -6.557 0.440) 14.272 14.640 ( 8.944 -22.406 -0.661) 24.134======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.728 ( 0.000 7.455 2.995) 8.034 2.942 ( 0.000 7.297 14.422) 16.162 3.628 ( -0.000 8.712 -3.370) 9.341 3.635 ( -0.000 5.850 -5.852) 8.275 5.398 ( 0.000 18.238 3.710) 18.611 6.007 ( 0.000 -23.439 15.636) 28.175 6.147 ( -0.000 20.706 -8.969) 22.565 6.350 ( 0.000 -1.471 0.383) 1.520 6.990 ( -0.000 -3.007 -6.118) 6.817 8.200 ( -0.000 2.158 -0.882) 2.331 8.638 ( 0.000 6.611 0.785) 6.657 9.250 ( -0.000 -5.365 -11.749) 12.916 10.405 ( -0.000 -13.386 -0.736) 13.406 11.121 ( -0.000 -14.935 -7.250) 16.602 11.525 ( 0.000 -7.747 7.151) 10.543 12.550 ( 0.000 -1.045 0.678) 1.245 14.869 ( -0.000 -7.311 -5.029) 8.874 15.625 ( 0.000 3.551 8.629) 9.331======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.887 ( 8.640 6.272 3.849) 11.349 3.106 ( 6.871 6.291 11.318) 14.659 3.635 ( -1.689 5.795 -2.179) 6.417 3.821 ( 12.249 5.915 -2.071) 13.759 5.563 ( 1.645 9.211 2.129) 9.596 5.863 ( 2.571 -20.415 16.420) 26.325 6.210 ( -7.341 12.826 -6.078) 15.979 6.411 ( 4.663 3.023 -1.432) 5.739 6.952 ( -0.501 -1.075 -4.193) 4.358 8.222 ( -0.511 4.763 -3.399) 5.874 8.631 ( -7.174 4.007 -1.590) 8.370 9.059 ( -10.236 -4.190 -10.664) 15.364 10.373 ( 8.271 -9.417 -0.997) 12.573 10.940 ( -1.810 -13.601 -4.951) 14.587 11.454 ( -2.907 -5.120 7.038) 9.176 12.634 ( 9.734 1.073 0.310) 9.798 14.785 ( -0.567 -7.268 -3.879) 8.258 15.597 ( -8.778 0.609 6.722) 11.073======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.099 ( 7.374 4.292 6.394) 10.662 3.378 ( 13.828 5.521 0.298) 14.892 3.694 ( 3.136 6.986 5.530) 9.445 4.137 ( 18.607 5.581 -0.086) 19.426 5.624 ( 4.088 -8.889 7.856) 12.548 5.822 ( 2.055 -6.228 7.795) 10.187 6.160 ( -8.839 8.696 -4.279) 13.117 6.475 ( 1.237 0.088 -3.603) 3.810 6.905 ( -3.762 -0.203 -2.878) 4.741 8.251 ( -0.357 4.755 -4.365) 6.465 8.465 ( -11.871 1.824 -6.614) 13.711 8.854 ( -8.241 0.041 -2.009) 8.482 10.429 ( 4.918 -2.515 -1.799) 5.810 10.793 ( 1.272 -13.105 -2.964) 13.496 11.407 ( 0.022 -2.740 5.640) 6.270 12.877 ( 14.644 5.619 -0.034) 15.685 14.668 ( -2.366 -9.728 -2.596) 10.343 15.396 ( -16.471 -1.578 4.378) 17.116======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.265 ( 7.068 1.505 5.124) 8.859 3.538 ( 0.756 5.595 -3.623) 6.708 4.008 ( 19.303 9.171 8.719) 23.081 4.527 ( 19.881 6.528 1.409) 20.973 5.626 ( 5.741 -13.289 11.240) 18.328 5.802 ( -1.835 -2.698 -1.707) 3.683 6.048 ( -10.564 4.260 -2.779) 11.724 6.425 ( -2.284 -4.545 -6.502) 8.255 6.774 ( -9.868 -1.305 -3.331) 10.497 8.227 ( -3.116 0.582 -2.088) 3.796 8.384 ( -0.536 8.663 -4.438) 9.749 8.736 ( -6.950 -0.038 2.104) 7.261 10.486 ( 3.007 2.923 -4.004) 5.798 10.680 ( -1.279 -10.283 1.558) 10.478 11.447 ( 4.945 -1.452 2.538) 5.745 13.219 ( 16.500 10.625 -0.229) 19.626 14.508 ( -2.352 -12.849 -1.439) 13.141 15.059 ( -21.874 -3.035 2.261) 22.199======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.854 ( 0.000 3.543 2.794) 4.512 3.169 ( 0.000 5.018 16.713) 17.450 3.694 ( 0.000 3.219 0.216) 3.226 3.750 ( -0.000 6.102 -3.018) 6.808 5.539 ( 0.000 -15.688 11.459) 19.427 5.788 ( 0.000 1.012 6.558) 6.636 6.331 ( 0.000 -0.960 1.035) 1.412 6.431 ( -0.000 14.461 -9.729) 17.429 6.942 ( -0.000 0.673 -2.796) 2.876 8.257 ( -0.000 4.706 -5.825) 7.488 8.729 ( -0.000 3.097 -1.106) 3.289 9.079 ( -0.000 -2.250 -13.986) 14.166 10.193 ( -0.000 -8.285 0.554) 8.303 10.838 ( -0.000 -9.789 -3.633) 10.441 11.459 ( 0.000 -4.653 7.606) 8.916 12.538 ( 0.000 -0.534 0.269) 0.598 14.737 ( -0.000 -3.489 -2.899) 4.537 15.690 ( 0.000 -1.262 5.402) 5.547======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.984 ( 9.952 1.598 2.520) 10.390 3.292 ( 4.427 2.756 15.389) 16.248 3.738 ( 0.432 5.099 3.401) 6.145 3.907 ( 12.770 4.491 -1.252) 13.594 5.433 ( 3.823 -19.785 15.977) 25.716 5.831 ( -0.278 3.435 -0.008) 3.446 6.302 ( -3.235 0.784 -0.581) 3.379 6.498 ( -2.009 7.526 -8.992) 11.897 6.940 ( -0.993 1.318 -1.683) 2.357 8.274 ( -0.020 3.095 -7.107) 7.751 8.654 ( -10.028 1.596 -5.404) 11.503 8.976 ( -5.379 2.189 -7.399) 9.406 10.240 ( 11.321 -3.735 -0.604) 11.937 10.707 ( -4.183 -7.621 -2.246) 8.979 11.423 ( -2.036 -3.163 7.237) 8.156 12.655 ( 13.233 0.799 0.021) 13.257 14.667 ( -4.129 -2.861 -1.790) 5.333 15.609 ( -9.116 -2.501 3.623) 10.123======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.157 ( 8.143 -1.531 3.881) 9.150 3.503 ( 10.691 4.504 5.694) 12.922 3.850 ( 7.163 3.269 9.744) 12.528 4.236 ( 20.044 4.842 1.641) 20.686 5.408 ( 7.264 -15.517 15.602) 23.173 5.822 ( -2.180 -0.310 -3.485) 4.123 6.219 ( -7.000 0.509 -3.335) 7.771 6.442 ( -5.576 0.756 -9.128) 10.723 6.892 ( -5.848 0.293 -2.693) 6.445 8.257 ( -1.205 0.071 -5.931) 6.052 8.500 ( -6.699 5.743 -5.788) 10.553 8.894 ( -7.515 4.043 0.541) 8.551 10.442 ( 9.780 5.237 -2.670) 11.411 10.559 ( -1.079 -9.290 -1.066) 9.413 11.398 ( -0.140 -2.132 5.841) 6.219 12.960 ( 20.136 2.493 -0.309) 20.292 14.529 ( -7.989 -3.027 -0.896) 8.590 15.370 ( -16.963 -2.870 2.013) 17.322======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.903 ( 0.000 -0.266 2.590) 2.604 3.320 ( 0.000 -3.637 20.310) 20.633 3.814 ( 0.000 8.662 4.756) 9.882 3.824 ( -0.000 3.471 -2.602) 4.338 5.271 ( 0.000 -17.280 17.086) 24.300 5.854 ( -0.000 0.851 -2.326) 2.477 6.326 ( 0.000 -0.421 1.303) 1.369 6.561 ( -0.000 5.875 -10.504) 12.036 6.959 ( -0.000 1.839 -0.740) 1.982 8.266 ( -0.000 1.093 -8.873) 8.940 8.751 ( -0.000 0.494 -2.120) 2.177 9.010 ( -0.000 5.400 -14.557) 15.527 10.093 ( 0.000 -2.614 1.199) 2.876 10.706 ( -0.000 -2.232 -0.795) 2.369 11.442 ( 0.000 -2.424 7.666) 8.040 12.531 ( -0.000 -0.300 0.008) 0.300 14.691 ( -0.000 -0.082 -1.012) 1.015 15.669 ( 0.000 -3.137 2.595) 4.071======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.990 ( 9.265 -2.326 1.874) 9.735 3.374 ( 6.323 -6.326 17.371) 19.539 3.863 ( 1.209 3.321 2.725) 4.463 4.025 ( 11.504 8.756 4.840) 15.246 5.224 ( 4.543 -11.724 15.904) 20.274 5.823 ( -1.184 -3.363 -3.925) 5.302 6.294 ( -3.871 -0.619 -0.314) 3.933 6.520 ( -4.746 0.970 -10.395) 11.468 6.960 ( -2.201 1.302 -0.944) 2.726 8.237 ( -0.062 -0.545 -8.742) 8.759 8.654 ( -8.220 1.795 -4.785) 9.679 9.023 ( -2.047 7.314 -7.649) 10.779 10.215 ( 13.964 1.171 -0.111) 14.013 10.628 ( -7.739 0.792 -0.853) 7.826 11.430 ( -1.998 -1.059 7.468) 7.802 12.661 ( 14.667 -0.189 -0.176) 14.669 14.644 ( -5.701 0.919 -0.626) 5.808 15.569 ( -9.060 -2.937 1.820) 9.697======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.878 ( 0.000 -4.009 2.136) 4.542 3.291 ( 0.000 -12.150 18.075) 21.779 3.849 ( -0.000 0.710 -2.151) 2.265 4.085 ( 0.000 12.288 11.349) 16.727 5.150 ( 0.000 -5.839 14.337) 15.480 5.765 ( -0.000 -7.776 -4.006) 8.747 6.335 ( 0.000 0.433 1.434) 1.498 6.518 ( -0.000 -2.836 -10.675) 11.045 6.991 ( 0.000 1.717 -0.182) 1.726 8.198 ( -0.000 -0.927 -9.741) 9.785 8.721 ( -0.000 -2.093 -2.482) 3.247 9.077 ( -0.000 10.899 -14.348) 18.018 10.110 ( 0.000 3.569 1.375) 3.825 10.736 ( 0.000 5.282 0.380) 5.295 11.474 ( 0.000 0.619 7.827) 7.852 12.525 ( -0.000 -0.276 -0.071) 0.285 14.704 ( -0.000 1.458 -0.917) 1.722 15.626 ( 0.000 -2.235 2.106) 3.071======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( 0.000 0.000 24.874) 24.874 1.176 ( 0.000 0.000 24.874) 24.874 2.162 ( 0.000 0.000 49.762) 49.762 2.925 ( -0.000 -0.000 -7.150) 7.150 2.925 ( -0.000 -0.000 -7.150) 7.150 5.360 ( -0.000 -0.000 -20.096) 20.096 6.459 ( 0.000 0.000 1.006) 1.006 6.459 ( 0.000 0.000 1.006) 1.006 8.008 ( -0.000 -0.000 -2.041) 2.041 8.008 ( -0.000 -0.000 -2.041) 2.041 9.222 ( -0.000 -0.000 -0.780) 0.780 11.228 ( 0.000 0.000 4.684) 4.684 11.525 ( 0.000 0.000 1.822) 1.822 11.525 ( 0.000 0.000 1.822) 1.822 12.695 ( -0.000 -0.000 -1.174) 1.174 12.695 ( -0.000 -0.000 -1.174) 1.174 12.769 ( -0.000 -0.000 -1.665) 1.665 15.911 ( -0.000 -0.000 -0.798) 0.798======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( 9.580 5.531 21.218) 23.929 1.538 ( 15.001 8.661 23.457) 29.160 2.429 ( 13.148 7.591 31.328) 34.813 2.979 ( 5.648 3.261 -6.717) 9.362 3.132 ( 19.307 11.147 0.713) 22.305 5.292 ( 0.256 0.148 -20.489) 20.491 6.446 ( -0.814 -0.470 0.835) 1.258 6.459 ( -0.775 -0.448 -0.220) 0.922 7.773 ( -18.947 -10.939 0.429) 21.882 8.069 ( 4.418 2.551 -1.823) 5.418 9.253 ( 1.415 0.817 -0.520) 1.715 10.180 ( -43.229 -24.958 17.365) 52.851 11.437 ( -6.863 -3.962 1.652) 8.095 11.980 ( 3.168 1.829 -10.736) 11.342 12.589 ( -7.995 -4.616 -1.228) 9.313 12.702 ( -0.094 -0.054 -1.053) 1.058 13.446 ( 44.090 25.455 -2.134) 50.955 15.878 ( -1.102 -0.636 -3.843) 4.048======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 16.437 9.490 14.729) 24.025 1.913 ( 12.064 6.965 24.253) 27.969 2.961 ( 26.904 15.533 2.694) 31.182 3.116 ( 8.048 4.646 -5.848) 10.980 3.701 ( 27.845 16.076 11.793) 34.247 5.246 ( 1.792 1.035 -18.535) 18.650 6.430 ( -0.775 -0.448 0.331) 0.954 6.437 ( -0.686 -0.396 -1.355) 1.569 7.274 ( -23.246 -13.421 5.347) 27.370 8.187 ( 6.396 3.693 -1.008) 7.454 9.205 ( -7.971 -4.602 8.220) 12.340 9.565 ( -17.303 -9.990 1.100) 20.010 11.239 ( -10.973 -6.335 1.086) 12.717 11.876 ( -7.099 -4.099 -8.277) 11.649 12.351 ( -12.015 -6.937 -1.675) 13.975 12.683 ( -1.232 -0.711 -0.726) 1.597 14.220 ( 23.063 13.316 6.059) 27.312 15.871 ( 2.791 1.611 -10.394) 10.883======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.105 ( 16.850 9.728 9.611) 21.701 2.277 ( 14.176 8.185 18.620) 24.793 3.283 ( 8.201 4.735 -4.708) 10.575 3.543 ( 25.027 14.449 -13.784) 32.018 4.396 ( 28.895 16.683 16.480) 37.214 5.258 ( 4.262 2.461 -13.658) 14.518 6.415 ( -0.616 -0.355 -0.371) 0.802 6.423 ( -0.377 -0.217 0.241) 0.497 6.878 ( -12.924 -7.461 8.135) 16.996 8.338 ( 6.914 3.992 0.269) 7.988 8.967 ( -15.481 -8.938 12.100) 21.586 9.267 ( -10.325 -5.961 -10.282) 15.743 10.969 ( -12.960 -7.483 0.250) 14.968 11.643 ( -11.477 -6.626 -4.683) 14.055 12.080 ( -10.768 -6.217 -2.957) 12.781 12.645 ( -1.952 -1.127 -0.369) 2.284 14.565 ( 6.841 3.950 11.476) 13.933 15.913 ( 3.621 2.091 -12.306) 12.997======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( 13.876 8.011 5.591) 16.970 2.668 ( 16.076 9.281 11.165) 21.662 3.442 ( 7.090 4.093 -3.094) 8.752 3.930 ( 14.299 8.255 -22.713) 28.080 5.048 ( 22.830 13.181 13.255) 29.507 5.370 ( 9.820 5.670 -2.183) 11.547 6.399 ( -0.579 -0.334 -1.021) 1.220 6.420 ( -0.818 -0.472 3.449) 3.576 6.752 ( -1.495 -0.863 6.573) 6.796 8.487 ( 5.946 3.433 1.602) 7.050 8.612 ( -17.076 -9.859 -1.520) 19.777 9.013 ( -10.585 -6.111 1.380) 12.300 10.678 ( -12.628 -7.291 -0.635) 14.596 11.349 ( -13.207 -7.625 -2.439) 15.444 11.864 ( -7.468 -4.312 -4.164) 9.576 12.599 ( -1.943 -1.122 -0.116) 2.246 14.670 ( 0.486 0.281 9.652) 9.668 15.925 ( 0.517 0.298 -9.393) 9.412======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.751 ( 9.146 5.280 1.872) 10.725 3.060 ( 16.544 9.551 3.505) 19.422 3.580 ( 5.855 3.380 -0.773) 6.805 4.026 ( 2.261 1.305 -25.577) 25.710 5.415 ( 10.254 5.920 3.251) 12.279 5.747 ( 17.958 10.368 15.104) 25.654 6.353 ( -6.479 -3.741 -4.707) 8.839 6.381 ( -0.728 -0.420 -1.393) 1.627 6.805 ( 3.257 1.881 5.004) 6.260 8.270 ( -10.340 -5.970 -5.044) 12.962 8.608 ( 4.161 2.402 2.446) 5.391 8.817 ( -8.739 -5.046 12.798) 16.298 10.414 ( -10.401 -6.005 -1.247) 12.075 11.058 ( -11.639 -6.720 -2.138) 13.608 11.710 ( -5.169 -2.984 -4.851) 7.691 12.562 ( -1.320 -0.762 -0.002) 1.524 14.685 ( -1.021 -0.590 5.799) 5.918 15.875 ( -2.498 -1.442 -6.001) 6.658======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.898 ( 3.997 2.307 -1.224) 4.774 3.416 ( 14.776 8.531 -5.872) 18.044 3.700 ( 4.759 2.748 1.564) 5.713 3.911 ( -3.955 -2.284 -21.128) 21.616 5.600 ( 3.866 2.232 3.055) 5.409 5.989 ( -9.101 -5.255 -3.103) 10.958 6.231 ( 8.258 4.768 2.828) 9.946 6.358 ( -0.763 -0.441 -1.481) 1.724 6.891 ( 3.013 1.740 2.238) 4.137 8.156 ( -0.648 -0.374 2.830) 2.928 8.689 ( 2.288 1.321 2.611) 3.715 8.733 ( -2.785 -1.608 18.877) 19.149 10.214 ( -6.856 -3.959 -1.428) 8.045 10.831 ( -7.668 -4.427 -2.371) 9.166 11.595 ( -3.528 -2.037 -5.615) 6.938 12.540 ( -0.625 -0.361 0.029) 0.722 14.678 ( -0.604 -0.349 2.612) 2.704 15.786 ( -3.748 -2.164 -3.593) 5.625======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.930 ( -0.273 -0.157 -2.603) 2.622 3.540 ( -3.131 -1.808 -22.529) 22.818 3.798 ( 3.114 1.798 2.615) 4.446 3.872 ( 8.556 4.940 -6.566) 11.863 5.441 ( -13.795 -7.964 -15.280) 22.072 5.834 ( -1.433 -0.827 1.130) 2.004 6.340 ( -0.375 -0.217 -1.454) 1.517 6.449 ( 5.325 3.074 11.159) 12.740 6.952 ( 2.077 1.199 0.622) 2.478 8.178 ( -0.098 -0.056 8.168) 8.168 8.728 ( 0.391 0.226 2.477) 2.518 8.837 ( 5.861 3.384 19.336) 20.486 10.106 ( -2.242 -1.294 -1.378) 2.933 10.713 ( -1.999 -1.154 -1.992) 3.049 11.514 ( -1.819 -1.050 -6.629) 6.954 12.531 ( -0.300 -0.173 0.046) 0.349 14.682 ( 0.429 0.248 0.868) 1.000 15.694 ( -3.363 -1.941 -2.264) 4.495======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.519 ( 0.000 21.468 21.399) 30.312 1.550 ( 0.000 15.548 17.770) 23.611 2.474 ( 0.000 2.786 29.832) 29.962 2.911 ( -0.000 5.092 -7.336) 8.930 3.186 ( 0.000 25.428 3.927) 25.729 5.231 ( -0.000 2.128 -21.626) 21.731 6.444 ( -0.000 -0.816 -0.167) 0.832 6.472 ( 0.000 -0.082 0.534) 0.540 7.905 ( -0.000 -8.838 -3.261) 9.420 8.003 ( -0.000 2.551 -0.983) 2.734 9.248 ( -0.000 0.926 -0.226) 0.954 10.167 ( 0.000 -56.245 17.188) 58.812 11.495 ( -0.000 -5.714 0.932) 5.790 11.936 ( -0.000 3.611 -9.113) 9.803 12.621 ( -0.000 -7.611 -1.729) 7.805 12.659 ( -0.000 -1.685 -0.556) 1.775 13.463 ( 0.000 55.093 -2.656) 55.157 15.825 ( -0.000 -8.359 -1.799) 8.550======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 2.328 21.011 14.347) 25.549 1.926 ( 8.105 14.676 22.487) 28.049 2.732 ( 15.773 11.543 6.652) 20.647 3.027 ( 7.496 7.665 -6.463) 12.518 3.595 ( 13.856 27.039 12.643) 32.908 5.193 ( 0.251 4.782 -20.183) 20.743 6.439 ( 0.054 0.355 -0.867) 0.938 6.451 ( -1.857 -0.765 0.036) 2.009 7.584 ( -21.352 -9.158 0.260) 23.235 8.098 ( 5.875 2.297 -1.345) 6.449 9.219 ( -1.362 -9.914 5.247) 11.299 9.659 ( -10.563 -26.131 7.294) 29.113 11.355 ( -7.787 -7.016 0.769) 10.510 11.882 ( -2.717 -5.038 -7.821) 9.692 12.438 ( -8.857 -11.011 -1.323) 14.193 12.656 ( 1.307 -2.458 -0.800) 2.896 14.136 ( 16.228 38.382 1.688) 41.706 15.747 ( 3.310 -8.982 -5.520) 11.050======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( 8.588 19.561 9.993) 23.585 2.250 ( 7.818 11.717 21.358) 25.584 3.154 ( 14.892 8.317 -6.760) 18.348 3.275 ( 16.241 15.482 -9.799) 24.484 4.206 ( 22.331 23.319 16.643) 36.324 5.204 ( 1.540 7.251 -16.121) 17.744 6.408 ( -1.513 -1.593 0.546) 2.264 6.452 ( 0.287 2.276 -1.254) 2.615 7.144 ( -21.213 -4.979 6.092) 22.625 8.229 ( 7.917 1.314 -0.663) 8.053 9.031 ( -5.216 -21.420 12.484) 25.335 9.357 ( -10.214 -5.159 -9.191) 14.677 11.127 ( -11.631 -6.438 0.827) 13.319 11.713 ( -7.186 -7.574 -5.161) 11.647 12.147 ( -9.764 -13.114 -1.850) 16.454 12.647 ( 0.267 -1.516 -0.692) 1.688 14.614 ( 4.609 18.876 10.450) 22.062 15.741 ( 8.182 -6.732 -11.637) 15.738======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.445 ( 9.286 18.050 5.845) 21.123 2.575 ( 10.486 10.764 15.241) 21.404 3.369 ( 7.573 6.945 -4.606) 11.260 3.690 ( 17.349 12.990 -18.722) 28.639 4.856 ( 23.129 18.277 15.018) 33.084 5.287 ( 5.073 8.184 -8.219) 12.660 6.386 ( 0.009 -0.970 1.209) 1.550 6.480 ( -0.633 3.774 0.099) 3.828 6.866 ( -11.169 -1.012 8.658) 14.168 8.374 ( 8.439 -0.912 1.059) 8.554 8.730 ( -11.013 -17.128 1.043) 20.390 9.109 ( -9.397 -6.413 -3.815) 11.999 10.855 ( -14.054 -4.973 0.608) 14.921 11.465 ( -11.142 -8.743 -2.095) 14.316 11.884 ( -5.770 -11.254 -3.560) 13.138 12.634 ( -1.097 0.963 -0.469) 1.533 14.767 ( -4.029 7.370 12.015) 14.660 15.782 ( 8.086 -6.690 -11.863) 15.839======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.753 ( 5.125 16.569 1.982) 17.456 2.910 ( 13.239 8.885 7.631) 17.676 3.534 ( 5.957 6.437 -2.662) 9.166 3.927 ( 6.119 9.012 -21.752) 24.327 5.327 ( 10.447 10.802 2.089) 15.172 5.565 ( 18.981 9.128 11.075) 23.796 6.371 ( -1.597 -1.779 -1.366) 2.753 6.465 ( -6.192 2.686 -0.277) 6.755 6.804 ( -0.085 0.535 7.648) 7.667 8.356 ( -10.259 -10.802 -3.529) 15.309 8.510 ( 5.674 -2.734 -1.427) 6.459 8.919 ( -5.455 -7.379 7.280) 11.713 10.581 ( -13.597 -3.086 0.262) 13.946 11.175 ( -12.311 -8.464 -0.800) 14.961 11.707 ( -2.950 -7.978 -4.845) 9.789 12.629 ( -2.492 4.670 -0.267) 5.300 14.756 ( -5.363 1.361 8.353) 10.020 15.782 ( 4.690 -8.499 -8.443) 12.865======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.941 ( -0.008 13.178 -0.953) 13.213 3.227 ( 13.499 6.738 -1.247) 15.139 3.681 ( 5.035 6.319 -1.788) 8.275 3.948 ( -4.315 8.762 -18.149) 20.610 5.555 ( 6.921 6.042 2.777) 9.597 5.990 ( 13.604 3.008 12.814) 18.929 6.194 ( -10.217 -5.366 -12.510) 17.020 6.389 ( -3.343 1.194 0.960) 3.678 6.864 ( 2.757 0.635 4.362) 5.199 8.176 ( -1.965 -1.336 0.350) 2.401 8.555 ( 5.226 -9.125 5.254) 11.755 8.848 ( -1.165 -1.569 9.621) 9.818 10.360 ( -10.944 0.616 0.073) 10.961 10.901 ( -10.087 -7.819 -0.730) 12.783 11.585 ( -2.001 -5.380 -5.712) 8.098 12.639 ( -4.100 8.716 -0.089) 9.632 14.697 ( -3.090 -2.378 4.414) 5.889 15.725 ( 2.197 -9.776 -5.288) 11.329======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.009 ( -3.946 9.556 -2.416) 10.617 3.437 ( 6.343 2.733 -12.379) 14.176 3.799 ( 3.664 4.625 -7.762) 9.750 3.910 ( -5.406 13.769 -3.035) 15.101 5.574 ( -12.710 -3.865 -10.168) 16.729 5.844 ( -3.128 -2.172 -3.617) 5.252 6.288 ( 5.708 -3.109 2.470) 6.953 6.405 ( 4.508 1.891 8.549) 9.849 6.922 ( 2.586 -0.157 1.838) 3.176 8.203 ( 0.998 1.313 6.480) 6.686 8.585 ( 7.426 -9.407 8.054) 14.440 8.895 ( 2.352 2.017 8.580) 9.122 10.235 ( -8.111 6.777 0.206) 10.572 10.698 ( -4.257 -7.751 -0.519) 8.858 11.494 ( -1.310 -3.557 -6.587) 7.600 12.655 ( -5.967 11.724 0.076) 13.155 14.650 ( 0.483 -4.468 1.705) 4.806 15.643 ( 1.454 -9.950 -3.084) 10.518======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 0.000 16.067 9.285) 18.557 2.122 ( 0.000 21.821 22.375) 31.254 2.738 ( 0.000 14.844 2.143) 14.998 3.022 ( -0.000 10.470 -5.444) 11.801 3.810 ( 0.000 30.039 13.104) 32.773 5.192 ( -0.000 9.082 -19.515) 21.525 6.439 ( -0.000 0.858 -1.227) 1.497 6.459 ( -0.000 -1.301 -0.370) 1.352 7.646 ( -0.000 -13.441 -8.167) 15.728 8.098 ( 0.000 7.149 1.110) 7.235 9.087 ( 0.000 -25.633 12.272) 28.419 9.550 ( -0.000 -12.258 2.503) 12.511 11.318 ( -0.000 -12.379 -0.785) 12.404 11.828 ( -0.000 -6.411 -6.504) 9.133 12.385 ( -0.000 -14.896 -2.331) 15.077 12.627 ( 0.000 -1.593 0.603) 1.703 14.416 ( 0.000 41.825 0.327) 41.826 15.591 ( -0.000 -13.316 -1.789) 13.436======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( 5.009 15.937 7.275) 18.221 2.393 ( 1.692 15.764 22.045) 27.154 3.000 ( 10.865 17.256 -9.436) 22.469 3.191 ( 8.551 12.869 -5.001) 16.240 4.231 ( 10.475 27.411 14.714) 32.827 5.237 ( -0.185 13.058 -16.706) 21.205 6.424 ( -1.780 -1.709 -0.301) 2.486 6.454 ( 0.878 1.314 -0.833) 1.786 7.389 ( -11.480 -9.871 -4.833) 15.893 8.170 ( 0.562 5.426 1.526) 5.664 8.865 ( 0.305 -27.494 14.031) 30.869 9.431 ( -6.318 -3.186 -6.437) 9.566 11.164 ( -2.833 -12.423 -0.564) 12.754 11.709 ( -3.398 -7.855 -5.056) 9.940 12.146 ( -7.896 -17.179 -1.570) 18.972 12.621 ( 0.739 -1.006 0.226) 1.268 14.819 ( 2.850 28.250 5.394) 28.901 15.492 ( 4.795 -12.713 -4.792) 14.407======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.467 ( 8.889 14.108 6.911) 18.050 2.661 ( 4.242 16.758 15.429) 23.171 3.266 ( 9.331 8.916 -10.262) 16.489 3.518 ( 14.342 16.272 -9.196) 23.559 4.756 ( 16.889 21.657 14.310) 30.968 5.321 ( -0.060 14.478 -12.045) 18.833 6.387 ( -0.640 -1.067 0.876) 1.521 6.493 ( 2.061 1.666 0.697) 2.740 7.104 ( -13.266 -3.598 2.443) 13.960 8.246 ( 4.442 0.351 1.957) 4.867 8.658 ( -2.114 -20.596 6.570) 21.722 9.208 ( -11.500 -5.077 -9.404) 15.699 10.980 ( -6.847 -9.523 0.441) 11.737 11.532 ( -6.901 -8.058 -2.883) 10.994 11.841 ( -6.744 -16.019 -1.621) 17.456 12.637 ( 1.297 0.967 -0.264) 1.639 15.019 ( -7.423 13.673 12.905) 20.214 15.483 ( 10.807 -11.135 -11.501) 19.314======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.775 ( 10.224 11.967 3.328) 16.088 2.946 ( 3.192 18.713 9.897) 21.408 3.445 ( 8.696 4.708 -8.487) 13.031 3.853 ( 10.319 15.218 -11.354) 21.610 5.268 ( 15.493 15.334 9.067) 23.608 5.449 ( 5.181 11.609 -2.565) 12.969 6.372 ( -0.757 -2.027 0.288) 2.183 6.552 ( 0.777 2.581 1.701) 3.188 6.905 ( -8.917 -1.395 6.720) 11.253 8.313 ( 3.706 -8.106 5.821) 10.645 8.434 ( -4.919 -8.213 -8.301) 12.671 8.949 ( -7.507 -7.657 -1.953) 10.899 10.750 ( -10.571 -7.344 1.184) 12.926 11.302 ( -10.909 -6.981 -0.588) 12.965 11.635 ( -1.511 -10.756 -3.176) 11.316 12.685 ( 1.380 4.563 -0.413) 4.785 14.967 ( -12.174 4.410 10.917) 16.936 15.517 ( 9.978 -12.356 -9.995) 18.765======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.043 ( 7.371 11.144 -4.476) 14.091 3.174 ( 1.222 15.103 7.637) 16.969 3.612 ( 8.518 5.532 -6.917) 12.288 4.064 ( 1.057 16.297 -10.167) 19.237 5.534 ( 4.465 9.934 0.065) 10.891 5.781 ( 17.627 4.594 10.238) 20.896 6.273 ( -7.414 -6.173 -5.854) 11.284 6.513 ( -7.813 1.873 0.176) 8.036 6.845 ( 0.421 -2.172 7.151) 7.486 8.195 ( -3.093 -3.444 -0.889) 4.714 8.393 ( 4.675 -7.955 0.222) 9.230 8.828 ( 0.105 -5.547 3.399) 6.507 10.526 ( -9.147 -3.896 1.827) 10.109 11.039 ( -12.877 -5.443 0.099) 13.981 11.533 ( -0.529 -5.639 -4.327) 7.127 12.769 ( 0.509 9.728 -0.321) 9.747 14.810 ( -11.041 -1.308 6.472) 12.865 15.500 ( 7.234 -14.948 -6.571) 17.859======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.166 ( -2.027 9.659 -6.484) 11.809 3.366 ( 5.043 9.673 1.974) 11.086 3.773 ( 4.243 9.283 -8.939) 13.568 4.159 ( -5.645 18.684 -5.097) 20.173 5.662 ( -0.043 3.078 -0.086) 3.079 5.921 ( -13.023 -6.777 -9.674) 17.581 6.114 ( 11.317 -2.192 3.552) 12.062 6.427 ( -3.181 -0.383 5.771) 6.601 6.871 ( 2.797 -3.391 4.035) 5.967 8.209 ( 2.360 2.177 3.730) 4.922 8.401 ( 6.331 -8.865 5.644) 12.269 8.836 ( 4.239 -3.816 1.969) 6.034 10.406 ( -4.586 2.430 2.496) 5.759 10.777 ( -12.145 -4.715 0.315) 13.032 11.462 ( -1.454 -2.498 -5.236) 5.981 12.877 ( -2.564 15.373 -0.022) 15.586 14.639 ( -6.142 -6.155 2.976) 9.190 15.439 ( 5.962 -16.213 -3.924) 17.714======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( 0.000 14.042 3.567) 14.488 2.575 ( 0.000 9.710 20.992) 23.129 3.090 ( -0.000 23.145 -10.424) 25.384 3.219 ( -0.000 12.219 -3.327) 12.664 4.461 ( 0.000 27.109 13.097) 30.107 5.341 ( -0.000 18.481 -15.569) 24.165 6.422 ( -0.000 -1.991 -0.668) 2.100 6.446 ( 0.000 -0.681 0.388) 0.784 7.314 ( -0.000 -12.479 -11.902) 17.245 8.281 ( 0.000 9.900 2.387) 10.183 8.638 ( 0.000 -26.360 15.765) 30.714 9.444 ( -0.000 -2.328 -6.489) 6.894 11.025 ( -0.000 -16.253 -1.840) 16.357 11.639 ( -0.000 -9.100 -4.895) 10.333 12.043 ( -0.000 -18.052 -0.888) 18.074 12.603 ( 0.000 -1.620 1.209) 2.021 15.045 ( -0.000 21.104 -6.617) 22.117 15.351 ( 0.000 -9.041 9.041) 12.786======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.488 ( 6.353 12.883 4.141) 14.949 2.760 ( 4.979 9.610 13.685) 17.447 3.262 ( 0.777 15.393 -8.189) 17.453 3.436 ( 10.680 14.621 -3.748) 18.490 4.816 ( 7.410 23.302 11.546) 27.041 5.472 ( -1.874 20.862 -13.289) 24.806 6.386 ( -0.926 -2.349 0.375) 2.552 6.456 ( 2.559 -2.358 2.763) 4.443 7.155 ( -2.023 -8.485 -8.930) 12.483 8.302 ( -5.884 2.349 6.843) 9.325 8.500 ( 2.051 -14.257 7.149) 16.080 9.309 ( -9.063 -4.568 -9.731) 14.060 10.887 ( 2.236 -14.890 -1.154) 15.102 11.505 ( -2.350 -10.661 -4.985) 12.001 11.806 ( -7.012 -15.958 1.636) 17.508 12.613 ( 2.194 -0.196 0.683) 2.306 15.159 ( 7.981 -3.626 -13.584) 16.167 15.343 ( -7.113 7.006 16.490) 19.277======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 7.963 11.248 5.450) 14.820 3.040 ( 10.895 13.400 6.485) 18.448 3.368 ( 1.225 8.630 -7.035) 11.201 3.775 ( 13.373 14.075 -3.151) 19.670 5.211 ( 11.567 16.693 9.191) 22.292 5.580 ( -3.511 18.863 -9.677) 21.489 6.352 ( -0.098 -4.975 2.224) 5.450 6.515 ( 4.870 -1.308 5.059) 7.143 7.016 ( -4.765 -4.768 -3.379) 7.540 8.241 ( -1.186 -6.243 8.091) 10.289 8.421 ( -3.732 -2.501 -3.524) 5.710 9.028 ( -11.778 -6.640 -8.679) 16.066 10.767 ( -1.996 -11.962 -0.331) 12.132 11.334 ( -3.036 -11.449 -4.014) 12.507 11.577 ( -4.949 -9.660 2.712) 11.187 12.679 ( 3.673 3.404 0.059) 5.008 15.166 ( 6.203 -13.154 -5.600) 15.584 15.305 ( -10.283 6.652 7.706) 14.470======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.996 ( 7.640 9.634 2.066) 12.468 3.373 ( 0.924 17.800 7.108) 19.189 3.456 ( 11.405 3.942 -8.734) 14.896 4.108 ( 10.055 15.075 -2.887) 18.349 5.559 ( 10.182 9.472 4.863) 14.732 5.671 ( 0.256 12.592 -2.935) 12.932 6.277 ( -2.510 -8.870 1.700) 9.374 6.587 ( 1.384 -0.922 2.453) 2.963 6.878 ( -5.557 -4.051 1.175) 6.977 8.194 ( -0.419 -4.154 2.492) 4.862 8.307 ( -3.705 -2.157 -5.456) 6.939 8.811 ( -4.394 -4.860 -1.406) 6.701 10.594 ( -5.465 -8.310 0.589) 9.963 11.145 ( -6.580 -9.820 -1.485) 11.913 11.483 ( -0.148 -3.325 0.298) 3.342 12.806 ( 4.802 8.174 -0.178) 9.482 15.046 ( -10.420 -4.776 4.643) 12.367 15.213 ( 1.897 -10.704 -3.830) 11.525======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.190 ( 4.637 8.435 -4.099) 10.462 3.446 ( -0.520 5.068 4.810) 7.007 3.771 ( 9.084 17.897 -5.339) 20.769 4.367 ( 2.470 18.003 -2.535) 18.347 5.696 ( -0.195 6.405 -0.764) 6.454 5.867 ( 10.744 -1.133 5.255) 12.013 6.075 ( -10.045 -8.482 -6.817) 14.810 6.523 ( -6.344 -1.847 1.437) 6.762 6.795 ( 0.970 -6.893 3.901) 7.980 8.203 ( 1.507 2.965 0.510) 3.365 8.257 ( 3.450 -5.004 1.929) 6.376 8.749 ( 0.898 -3.970 0.181) 4.075 10.473 ( -2.726 -1.817 1.732) 3.706 10.915 ( -9.524 -8.480 -0.297) 12.756 11.469 ( -0.893 1.190 -1.777) 2.318 12.997 ( 5.043 13.827 -0.102) 14.718 14.788 ( -15.447 -4.484 3.772) 16.521 15.133 ( 6.898 -18.677 -4.051) 20.318======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( 0.000 11.429 1.604) 11.541 2.835 ( 0.000 7.715 10.573) 13.089 3.427 ( -0.000 10.860 -2.504) 11.144 3.427 ( 0.000 15.010 -2.047) 15.149 5.016 ( 0.000 22.376 8.359) 23.886 5.669 ( -0.000 23.911 -12.957) 27.196 6.379 ( 0.000 -9.403 6.161) 11.241 6.382 ( -0.000 -1.750 -0.024) 1.750 7.049 ( -0.000 -6.288 -10.929) 12.609 8.322 ( 0.000 -14.728 9.697) 17.633 8.487 ( 0.000 9.185 1.647) 9.332 9.316 ( -0.000 -5.069 -10.537) 11.693 10.692 ( -0.000 -16.235 -1.441) 16.299 11.385 ( -0.000 -13.779 -5.785) 14.945 11.741 ( 0.000 -12.773 4.121) 13.422 12.579 ( 0.000 -1.628 1.028) 1.925 14.993 ( -0.000 -7.001 -10.520) 12.637 15.546 ( 0.000 8.368 14.039) 16.343======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.739 ( 7.985 10.341 3.246) 13.462 2.986 ( 5.821 8.526 4.843) 11.403 3.478 ( -2.200 9.986 -0.407) 10.234 3.672 ( 11.328 9.946 1.170) 15.120 5.277 ( 4.187 18.134 5.218) 19.329 5.818 ( -4.319 22.109 -11.501) 25.293 6.285 ( 0.160 -12.650 7.907) 14.919 6.418 ( 5.182 -2.405 2.912) 6.412 6.975 ( 0.220 -3.571 -8.269) 9.009 8.225 ( -1.329 -7.136 5.502) 9.108 8.525 ( -5.289 6.401 -0.394) 8.313 9.126 ( -10.196 -6.281 -11.489) 16.595 10.597 ( 5.429 -13.655 -1.130) 14.739 11.210 ( -1.292 -15.168 -4.821) 15.968 11.602 ( -5.098 -8.220 5.684) 11.219 12.620 ( 5.455 0.458 0.553) 5.502 14.926 ( 3.818 -8.791 -7.892) 12.416 15.580 ( -8.467 4.546 10.778) 14.441======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.988 ( 7.014 9.387 6.167) 13.242 3.242 ( 14.239 7.808 -4.537) 16.861 3.544 ( -1.119 9.838 4.967) 11.077 4.002 ( 15.602 9.274 2.379) 18.306 5.521 ( 5.983 11.149 2.494) 12.896 5.877 ( -6.849 16.931 -8.548) 20.165 6.192 ( 0.975 -15.348 9.996) 18.342 6.503 ( 5.597 -2.893 1.905) 6.582 6.910 ( -2.534 -2.026 -5.563) 6.440 8.181 ( -0.540 -0.936 1.170) 1.593 8.422 ( -10.421 1.716 -4.341) 11.418 8.872 ( -8.413 -3.474 -5.400) 10.583 10.544 ( 1.286 -9.496 -1.586) 9.713 11.051 ( 1.000 -14.117 -2.573) 14.384 11.486 ( -3.060 -3.811 4.842) 6.880 12.767 ( 8.208 5.377 0.182) 9.815 14.872 ( 4.141 -12.166 -5.689) 14.054 15.429 ( -15.633 0.561 7.241) 17.237======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.752 ( 0.000 7.931 1.700) 8.111 3.059 ( 0.000 9.830 7.432) 12.324 3.598 ( -0.000 8.469 -2.463) 8.820 3.638 ( 0.000 5.119 7.551) 9.122 5.426 ( 0.000 15.902 1.739) 15.997 6.038 ( -0.000 21.775 -12.295) 25.006 6.157 ( 0.000 -19.485 13.713) 23.827 6.356 ( 0.000 -1.222 0.883) 1.507 6.926 ( -0.000 -0.678 -6.458) 6.494 8.199 ( 0.000 -2.310 0.873) 2.469 8.639 ( 0.000 5.927 -0.439) 5.943 9.118 ( -0.000 -6.180 -14.297) 15.576 10.401 ( -0.000 -12.869 -0.022) 12.869 11.066 ( -0.000 -14.392 -3.608) 14.837 11.595 ( 0.000 -7.014 6.529) 9.583 12.556 ( 0.000 -1.239 0.528) 1.347 14.811 ( -0.000 -5.419 -6.217) 8.247 15.716 ( 0.000 1.407 9.066) 9.174======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.921 ( 10.306 6.058 2.816) 12.282 3.196 ( 2.005 10.055 5.733) 11.747 3.648 ( -0.434 6.503 3.973) 7.633 3.829 ( 12.711 4.127 5.057) 14.289 5.571 ( 1.719 9.762 -0.419) 9.921 6.022 ( 1.279 -18.547 13.092) 22.739 6.134 ( -5.840 14.921 -7.350) 17.629 6.399 ( 4.459 -0.415 -1.081) 4.607 6.908 ( -0.452 0.770 -4.377) 4.467 8.191 ( -0.181 1.623 -2.468) 2.960 8.604 ( -9.194 2.419 -3.935) 10.289 8.951 ( -6.220 -2.872 -10.598) 12.619 10.364 ( 7.260 -9.302 -0.736) 11.822 10.906 ( -1.526 -13.059 -1.828) 13.274 11.523 ( -3.372 -4.778 6.543) 8.775 12.637 ( 9.620 0.937 0.230) 9.668 14.742 ( -0.466 -5.672 -4.478) 7.242 15.665 ( -9.201 -1.214 6.497) 11.329======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( 0.000 3.823 2.262) 4.442 3.324 ( 0.000 10.032 12.727) 16.205 3.722 ( -0.000 6.028 -2.571) 6.553 3.745 ( 0.000 0.333 10.719) 10.725 5.608 ( 0.000 -1.352 2.240) 2.616 5.888 ( 0.000 -12.999 12.589) 18.095 6.321 ( -0.000 14.867 -11.461) 18.772 6.344 ( 0.000 -0.901 1.372) 1.641 6.915 ( -0.000 2.098 -2.561) 3.310 8.199 ( -0.000 2.415 -5.335) 5.856 8.713 ( -0.000 2.770 -2.047) 3.445 8.919 ( -0.000 -2.126 -17.460) 17.589 10.201 ( -0.000 -8.032 1.103) 8.107 10.819 ( -0.000 -9.265 -0.183) 9.267 11.532 ( 0.000 -4.368 6.824) 8.102 12.540 ( -0.000 -0.654 0.131) 0.667 14.707 ( -0.000 -2.121 -2.950) 3.633 15.742 ( 0.000 -2.917 4.848) 5.658======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( 0.000 0.000 20.690) 20.690 1.408 ( 0.000 0.000 20.690) 20.690 2.645 ( 0.000 0.000 45.194) 45.194 2.849 ( -0.000 -0.000 -7.668) 7.668 2.849 ( -0.000 -0.000 -7.668) 7.668 5.136 ( -0.000 -0.000 -23.955) 23.955 6.469 ( 0.000 0.000 0.900) 0.900 6.469 ( 0.000 0.000 0.900) 0.900 7.989 ( 0.000 -0.000 -1.797) 1.797 7.989 ( 0.000 -0.000 -1.797) 1.797 9.220 ( 0.000 0.000 0.295) 0.295 11.269 ( 0.000 0.000 3.453) 3.453 11.542 ( 0.000 0.000 1.608) 1.608 11.542 ( 0.000 0.000 1.608) 1.608 12.683 ( 0.000 -0.000 -1.049) 1.049 12.683 ( 0.000 -0.000 -1.049) 1.049 12.754 ( -0.000 -0.000 -1.333) 1.333 15.903 ( -0.000 -0.000 -0.708) 0.708======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.519 ( 7.586 4.380 18.523) 20.489 1.752 ( 16.856 9.732 18.441) 26.812 2.650 ( 2.254 1.302 10.689) 11.002 2.908 ( 6.088 3.515 -7.115) 10.002 3.221 ( 22.941 13.245 18.062) 32.062 5.069 ( 1.341 0.774 -23.142) 23.193 6.455 ( -0.947 -0.547 0.909) 1.422 6.459 ( -1.350 -0.779 0.185) 1.569 7.780 ( -16.825 -9.714 0.988) 19.453 8.049 ( 4.585 2.647 -2.050) 5.677 9.251 ( 1.812 1.046 0.080) 2.093 10.320 ( -43.414 -25.065 10.588) 51.236 11.455 ( -6.981 -4.031 1.844) 8.270 11.892 ( 2.420 1.397 -6.853) 7.401 12.579 ( -8.042 -4.643 -0.608) 9.306 12.690 ( -0.011 -0.006 -1.232) 1.232 13.430 ( 44.905 25.926 -0.995) 51.861 15.846 ( -3.597 -2.077 -2.604) 4.902======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 14.081 8.130 13.447) 21.100 2.151 ( 11.848 6.841 22.389) 26.238 2.920 ( 20.305 11.723 -9.624) 25.345 3.056 ( 8.629 4.982 -5.823) 11.540 3.868 ( 28.174 16.266 19.434) 37.895 5.052 ( 3.854 2.225 -19.162) 19.672 6.430 ( -0.831 -0.480 -0.184) 0.977 6.435 ( -1.075 -0.621 0.548) 1.357 7.334 ( -21.275 -12.283 6.531) 25.420 8.174 ( 6.904 3.986 -1.679) 8.147 9.262 ( -1.882 -1.087 3.225) 3.889 9.580 ( -26.406 -15.246 1.544) 30.530 11.253 ( -11.321 -6.536 1.614) 13.172 11.806 ( -6.246 -3.606 -5.589) 9.124 12.340 ( -12.455 -7.191 -0.528) 14.391 12.674 ( -1.036 -0.598 -1.111) 1.633 14.280 ( 27.409 15.825 5.666) 32.152 15.773 ( -0.368 -0.212 -9.050) 9.060======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.197 ( 14.945 8.629 8.420) 19.202 2.467 ( 11.047 6.378 18.756) 22.683 3.239 ( 8.869 5.121 -3.982) 10.988 3.372 ( 21.926 12.659 -19.305) 31.838 4.566 ( 27.834 16.070 15.458) 35.664 5.128 ( 7.938 4.583 -10.894) 14.237 6.412 ( -0.986 -0.569 -0.094) 1.143 6.431 ( 0.757 0.437 1.142) 1.438 6.969 ( -12.789 -7.384 9.900) 17.779 8.336 ( 7.655 4.419 -0.717) 8.868 9.033 ( -21.870 -12.627 -2.600) 25.387 9.206 ( -5.422 -3.130 1.822) 6.520 10.975 ( -13.461 -7.772 0.982) 15.575 11.604 ( -10.338 -5.969 -2.828) 12.268 12.056 ( -11.762 -6.791 -1.769) 13.696 12.639 ( -1.738 -1.004 -0.826) 2.170 14.685 ( 7.397 4.271 12.266) 14.947 15.780 ( 3.970 2.292 -13.981) 14.713======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.527 ( 12.278 7.089 3.916) 14.708 2.781 ( 12.469 7.199 10.721) 17.951 3.418 ( 7.917 4.571 -1.604) 9.281 3.696 ( 12.634 7.294 -22.725) 27.005 5.126 ( 17.290 9.982 1.018) 19.990 5.402 ( 18.693 10.793 9.249) 23.483 6.390 ( -0.877 -0.506 -0.781) 1.279 6.440 ( -1.800 -1.039 0.361) 2.109 6.833 ( -2.726 -1.574 9.410) 9.923 8.498 ( 6.659 3.845 0.548) 7.709 8.543 ( -18.473 -10.666 -10.375) 23.720 9.083 ( -7.377 -4.259 10.702) 13.678 10.675 ( -13.131 -7.581 0.107) 15.162 11.333 ( -12.944 -7.473 -0.442) 14.952 11.823 ( -8.148 -4.704 -4.024) 10.233 12.596 ( -1.777 -1.026 -0.522) 2.117 14.773 ( -1.350 -0.779 10.578) 10.692 15.817 ( 2.578 1.489 -11.900) 12.266======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.761 ( 7.835 4.524 0.065) 9.047 3.087 ( 12.727 7.348 1.005) 14.730 3.581 ( 6.721 3.880 0.951) 7.819 3.787 ( 2.819 1.628 -20.640) 20.895 5.433 ( 11.729 6.772 0.449) 13.551 5.900 ( 18.972 10.954 14.722) 26.394 6.278 ( -11.941 -6.894 -9.884) 16.965 6.367 ( -0.865 -0.500 -1.239) 1.591 6.862 ( 1.543 0.891 6.140) 6.393 8.222 ( -6.615 -3.819 -3.760) 8.513 8.629 ( 4.576 2.642 1.589) 5.518 8.965 ( -6.605 -3.814 15.505) 17.279 10.404 ( -10.720 -6.189 -0.688) 12.398 11.047 ( -12.028 -6.944 0.173) 13.889 11.657 ( -5.500 -3.176 -5.686) 8.524 12.560 ( -1.220 -0.704 -0.289) 1.438 14.746 ( -2.855 -1.649 6.322) 7.130 15.803 ( -0.710 -0.410 -7.994) 8.036======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 0.000 12.619 12.278) 17.607 1.722 ( 0.000 21.165 18.354) 28.014 2.670 ( 0.000 -3.427 8.580) 9.239 2.841 ( -0.000 5.671 -6.104) 8.332 3.305 ( 0.000 26.309 19.525) 32.763 5.001 ( -0.000 3.472 -23.150) 23.409 6.447 ( 0.000 -1.668 0.535) 1.752 6.476 ( 0.000 -0.425 0.166) 0.456 7.873 ( -0.000 -10.602 -3.181) 11.069 7.997 ( 0.000 3.301 -0.145) 3.304 9.249 ( 0.000 1.449 0.333) 1.487 10.307 ( -0.000 -54.059 10.902) 55.148 11.501 ( -0.000 -6.335 0.167) 6.337 11.864 ( -0.000 2.703 -5.407) 6.045 12.604 ( -0.000 -8.044 -1.561) 8.194 12.656 ( -0.000 -1.244 -0.020) 1.245 13.442 ( 0.000 54.546 -1.568) 54.569 15.812 ( -0.000 -8.814 -0.816) 8.852======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 2.780 17.161 10.576) 20.349 2.137 ( 10.384 17.223 18.961) 27.641 2.734 ( 8.557 6.531 -4.899) 11.826 2.968 ( 7.251 8.207 -4.938) 12.013 3.764 ( 15.094 25.393 18.998) 35.122 4.986 ( 1.403 6.514 -20.001) 21.082 6.435 ( -0.011 -0.421 -0.040) 0.423 6.452 ( -1.717 -1.067 -0.033) 2.022 7.588 ( -16.582 -11.145 0.371) 19.983 8.086 ( 5.149 3.198 -1.064) 6.154 9.256 ( 0.372 -3.350 2.435) 4.158 9.724 ( -15.904 -32.860 5.257) 36.883 11.361 ( -7.036 -7.776 0.502) 10.498 11.818 ( -2.586 -4.648 -4.768) 7.143 12.427 ( -8.403 -11.564 -0.723) 14.313 12.648 ( 0.804 -1.942 -0.586) 2.182 14.150 ( 19.623 40.481 1.036) 44.998 15.703 ( -0.289 -9.763 -3.221) 10.285======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.168 ( 8.255 17.093 7.285) 20.332 2.466 ( 6.006 10.351 20.961) 24.136 3.043 ( 18.095 10.196 -15.323) 25.810 3.191 ( 9.928 13.077 -5.842) 17.427 4.376 ( 21.967 22.073 15.272) 34.684 5.049 ( 4.204 8.984 -13.366) 16.644 6.413 ( -1.118 -1.449 0.439) 1.882 6.445 ( 0.529 1.923 -0.221) 2.007 7.208 ( -17.568 -6.303 6.496) 19.763 8.219 ( 8.036 2.024 -1.327) 8.393 9.146 ( -8.432 -23.444 9.182) 26.552 9.262 ( -10.071 -4.302 -8.540) 13.888 11.136 ( -11.394 -6.823 1.015) 13.319 11.672 ( -6.351 -6.893 -2.888) 9.808 12.134 ( -10.281 -13.779 -0.766) 17.209 12.639 ( 0.185 -1.226 -0.786) 1.468 14.715 ( 8.052 20.905 9.361) 24.279 15.627 ( 4.777 -7.262 -10.628) 13.730======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.492 ( 8.370 15.948 3.360) 18.322 2.727 ( 7.286 9.120 13.964) 18.200 3.314 ( 10.760 5.705 -6.971) 14.032 3.514 ( 12.754 15.100 -14.283) 24.386 4.964 ( 18.322 17.279 3.657) 25.449 5.244 ( 12.936 9.909 2.258) 16.451 6.392 ( -0.532 -0.826 0.052) 0.984 6.482 ( -0.201 3.495 0.048) 3.501 6.959 ( -10.290 -1.924 9.682) 14.259 8.375 ( 9.293 0.184 -0.859) 9.335 8.689 ( -17.228 -16.112 -8.294) 25.003 9.125 ( -3.178 -9.022 6.214) 11.407 10.864 ( -14.328 -4.886 1.022) 15.173 11.454 ( -10.390 -8.122 -0.082) 13.188 11.852 ( -6.820 -12.012 -2.846) 14.103 12.628 ( -1.019 1.114 -0.671) 1.652 14.893 ( -5.212 6.930 12.706) 15.383 15.652 ( 9.019 -5.322 -13.821) 17.340======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.759 ( 4.872 14.353 -0.719) 15.175 2.979 ( 8.679 8.258 5.146) 13.038 3.504 ( 8.262 4.449 -3.555) 10.035 3.742 ( 3.848 12.486 -13.367) 18.691 5.319 ( 11.016 11.421 -2.892) 16.129 5.692 ( 21.565 8.770 13.129) 26.727 6.345 ( -4.840 -3.538 -3.985) 7.200 6.448 ( -6.749 3.034 -2.741) 7.891 6.888 ( -1.708 -0.165 8.708) 8.876 8.292 ( -10.209 -7.537 -7.375) 14.677 8.516 ( 8.313 -2.770 1.327) 8.862 9.013 ( -2.024 -10.177 10.712) 14.913 10.587 ( -14.199 -2.495 0.850) 14.442 11.178 ( -12.496 -8.419 1.579) 15.150 11.657 ( -3.577 -8.218 -5.193) 10.359 12.626 ( -2.373 4.745 -0.457) 5.325 14.842 ( -7.464 0.272 8.590) 11.383 15.687 ( 6.414 -6.877 -10.214) 13.884======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.020 ( 0.000 14.261 3.310) 14.640 2.340 ( 0.000 25.736 20.023) 32.608 2.711 ( -0.000 6.999 -6.533) 9.574 2.980 ( -0.000 11.010 -2.643) 11.322 3.967 ( 0.000 28.406 16.456) 32.828 4.994 ( -0.000 10.989 -18.571) 21.579 6.432 ( -0.000 0.324 -0.362) 0.486 6.455 ( -0.000 -1.533 -0.588) 1.642 7.564 ( -0.000 -16.276 -8.094) 18.177 8.113 ( 0.000 7.822 1.764) 8.018 9.187 ( 0.000 -15.323 7.772) 17.182 9.575 ( -0.000 -22.519 2.275) 22.634 11.306 ( -0.000 -12.886 -1.438) 12.966 11.776 ( -0.000 -6.226 -3.663) 7.224 12.364 ( -0.000 -14.967 -1.848) 15.081 12.636 ( 0.000 -1.294 1.058) 1.672 14.407 ( 0.000 42.548 -2.012) 42.596 15.593 ( -0.000 -12.404 1.932) 12.554======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.224 ( 6.350 15.152 2.295) 16.588 2.614 ( 0.290 12.748 20.703) 24.315 2.875 ( 9.421 17.760 -14.106) 24.559 3.156 ( 7.570 12.850 -1.895) 15.034 4.383 ( 10.757 25.973 13.872) 31.349 5.072 ( 1.113 14.541 -14.921) 20.864 6.420 ( -1.305 -1.629 -0.352) 2.117 6.448 ( 0.917 1.641 -0.387) 1.919 7.335 ( -5.685 -12.702 -5.739) 15.054 8.186 ( -0.480 6.977 1.680) 7.192 9.002 ( -1.329 -26.958 13.046) 29.978 9.359 ( -8.767 -5.131 -7.822) 12.821 11.157 ( -1.892 -12.803 -0.862) 12.971 11.670 ( -3.057 -7.862 -2.686) 8.852 12.134 ( -7.554 -16.906 -0.766) 18.533 12.625 ( 0.045 -0.710 0.531) 0.888 14.840 ( 8.392 27.670 -1.324) 28.945 15.479 ( -1.149 -10.626 2.223) 10.917======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.513 ( 8.628 14.718 2.178) 17.199 2.808 ( 3.548 12.198 11.061) 16.844 3.154 ( 9.907 11.014 -9.426) 17.559 3.456 ( 11.013 16.791 -2.902) 20.289 4.882 ( 15.567 21.151 8.693) 27.664 5.212 ( 3.673 14.567 -7.808) 16.931 6.393 ( -0.417 -0.847 0.284) 0.986 6.498 ( 2.092 3.153 0.308) 3.796 7.120 ( -7.621 -6.432 0.822) 10.007 8.259 ( 3.168 2.949 0.673) 4.380 8.712 ( -8.155 -22.248 3.409) 23.939 9.134 ( -7.943 -6.505 -4.327) 11.141 10.983 ( -6.128 -9.785 0.178) 11.547 11.511 ( -5.596 -8.354 -1.126) 10.118 11.831 ( -8.028 -15.390 -0.454) 17.364 12.635 ( 0.941 1.169 -0.093) 1.504 15.132 ( -1.979 14.408 8.067) 16.631 15.379 ( 4.700 -10.852 -7.600) 14.058======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.784 ( 7.388 12.649 -1.395) 14.715 3.040 ( 3.043 16.344 6.716) 17.931 3.362 ( 9.909 4.341 -6.034) 12.387 3.776 ( 7.405 17.504 -3.714) 19.366 5.287 ( 7.789 17.074 -4.893) 19.395 5.482 ( 16.186 9.020 8.601) 20.429 6.368 ( -2.143 -2.004 -1.040) 3.113 6.551 ( -1.340 3.825 -1.873) 4.465 6.969 ( -5.485 -3.610 5.680) 8.682 8.331 ( -0.684 -3.641 -8.376) 9.159 8.379 ( -3.756 -10.393 3.825) 11.694 8.961 ( -2.621 -10.499 4.175) 11.599 10.760 ( -10.059 -7.374 0.906) 12.505 11.306 ( -9.906 -7.616 1.469) 12.582 11.605 ( -3.351 -9.849 -2.846) 10.785 12.681 ( 1.280 4.665 -0.267) 4.845 15.076 ( -14.144 2.902 10.414) 17.803 15.410 ( 11.265 -10.181 -11.061) 18.785======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( 0.000 14.158 -1.022) 14.194 2.728 ( 0.000 5.553 4.076) 6.888 3.028 ( 0.000 26.071 3.302) 26.279 3.199 ( 0.000 11.935 -0.641) 11.952 4.592 ( 0.000 25.467 11.796) 28.066 5.182 ( -0.000 19.742 -14.837) 24.696 6.416 ( -0.000 -1.837 -0.472) 1.897 6.447 ( 0.000 0.854 -0.175) 0.872 7.193 ( -0.000 -13.341 -11.843) 17.839 8.305 ( 0.000 9.884 2.175) 10.121 8.794 ( 0.000 -26.952 14.916) 30.804 9.370 ( -0.000 -4.090 -8.242) 9.201 11.006 ( -0.000 -16.247 -1.865) 16.354 11.600 ( -0.000 -9.906 -2.572) 10.234 12.039 ( -0.000 -16.491 0.045) 16.491 12.616 ( 0.000 -1.659 1.293) 2.103 14.940 ( -0.000 13.213 -12.321) 18.066 15.481 ( 0.000 -0.155 14.760) 14.760======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.510 ( 8.072 13.739 0.117) 15.936 2.825 ( 4.506 7.947 -2.919) 9.591 3.237 ( -1.534 16.318 5.012) 17.139 3.429 ( 10.074 15.186 2.841) 18.444 4.924 ( 7.471 21.304 9.061) 24.326 5.335 ( -0.685 21.626 -13.056) 25.271 6.390 ( -0.507 -1.512 0.322) 1.627 6.477 ( 2.801 0.241 1.246) 3.075 7.059 ( 1.229 -9.147 -9.854) 13.501 8.354 ( -4.922 7.404 3.455) 9.538 8.590 ( -1.362 -21.810 10.168) 24.103 9.210 ( -9.044 -5.652 -9.651) 14.383 10.875 ( 2.774 -14.919 -1.193) 15.221 11.466 ( -1.980 -12.008 -2.572) 12.439 11.826 ( -7.030 -13.680 2.327) 15.555 12.621 ( 1.757 -0.230 0.750) 1.924 15.024 ( 8.480 -2.243 -13.215) 15.861 15.504 ( -8.190 6.173 15.353) 18.464======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.554 ( 0.000 12.496 -1.286) 12.562 2.865 ( -0.000 10.196 -4.320) 11.073 3.412 ( 0.000 10.149 -0.465) 10.159 3.496 ( 0.000 14.534 15.150) 20.994 5.092 ( 0.000 19.560 6.263) 20.538 5.529 ( -0.000 24.891 -14.156) 28.635 6.384 ( 0.000 -1.393 0.414) 1.453 6.427 ( 0.000 -5.079 3.065) 5.932 6.937 ( -0.000 -4.556 -10.878) 11.794 8.430 ( 0.000 -19.110 11.370) 22.237 8.498 ( 0.000 8.511 0.606) 8.533 9.202 ( -0.000 -6.574 -11.970) 13.657 10.680 ( -0.000 -15.749 -0.848) 15.772 11.343 ( -0.000 -14.547 -2.527) 14.764 11.782 ( 0.000 -10.780 4.062) 11.519 12.589 ( 0.000 -1.836 0.845) 2.021 14.883 ( -0.000 -3.952 -11.051) 11.737 15.687 ( 0.000 5.442 13.656) 14.701======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 0.000 0.000 14.435) 14.435 1.587 ( 0.000 0.000 14.435) 14.435 2.775 ( -0.000 -0.000 -6.473) 6.473 2.775 ( -0.000 -0.000 -6.473) 6.473 3.061 ( 0.000 0.000 36.163) 36.163 4.890 ( -0.000 -0.000 -23.469) 23.469 6.477 ( 0.000 0.000 0.624) 0.624 6.477 ( 0.000 0.000 0.624) 0.624 7.973 ( 0.000 -0.000 -1.231) 1.231 7.973 ( -0.000 -0.000 -1.231) 1.231 9.226 ( 0.000 0.000 0.684) 0.684 11.297 ( 0.000 0.000 2.019) 2.019 11.556 ( 0.000 0.000 1.104) 1.104 11.556 ( 0.000 0.000 1.104) 1.104 12.674 ( -0.000 -0.000 -0.727) 0.727 12.674 ( -0.000 -0.000 -0.727) 0.727 12.743 ( -0.000 -0.000 -0.833) 0.833 15.897 ( -0.000 -0.000 -0.487) 0.487======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 6.776 3.912 13.434) 15.546 1.901 ( 18.799 10.854 10.400) 24.070 2.682 ( -1.191 -0.688 -1.047) 1.729 2.841 ( 6.380 3.684 -5.957) 9.475 3.449 ( 20.521 11.848 22.822) 32.899 4.843 ( 2.550 1.472 -20.008) 20.223 6.460 ( -1.605 -0.926 -0.017) 1.853 6.464 ( -0.969 -0.559 0.826) 1.390 7.794 ( -14.703 -8.489 1.710) 17.063 8.029 ( 4.477 2.585 -1.924) 5.516 9.253 ( 1.743 1.007 0.279) 2.032 10.398 ( -43.533 -25.134 4.825) 50.499 11.473 ( -6.873 -3.968 1.724) 8.122 11.839 ( 1.715 0.990 -3.654) 4.157 12.577 ( -7.905 -4.564 0.054) 9.128 12.677 ( -0.086 -0.050 -1.203) 1.207 13.424 ( 45.595 26.324 -0.261) 52.649 15.824 ( -5.388 -3.111 -1.660) 6.439======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 12.460 7.194 9.818) 17.419 2.358 ( 14.560 8.406 18.117) 24.716 2.790 ( 14.383 8.304 -14.853) 22.281 3.003 ( 9.235 5.332 -4.428) 11.546 4.049 ( 26.431 15.260 13.845) 33.513 4.884 ( 6.340 3.660 -12.252) 14.272 6.430 ( -0.605 -0.349 0.030) 0.700 6.441 ( -1.291 -0.746 0.678) 1.638 7.405 ( -18.989 -10.963 7.438) 23.154 8.154 ( 7.159 4.133 -2.069) 8.522 9.274 ( -0.870 -0.502 -0.810) 1.291 9.592 ( -29.618 -17.100 0.715) 34.207 11.271 ( -11.483 -6.630 1.878) 13.392 11.764 ( -5.795 -3.346 -2.560) 7.165 12.340 ( -12.720 -7.344 0.426) 14.694 12.661 ( -0.941 -0.543 -1.322) 1.711 14.333 ( 31.546 18.213 4.928) 36.759 15.690 ( -4.215 -2.433 -7.236) 8.721======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( 13.297 7.677 5.430) 16.286 2.645 ( 7.954 4.593 15.530) 18.043 3.169 ( 21.070 12.165 -19.729) 31.323 3.207 ( 9.668 5.582 -2.133) 11.366 4.661 ( 24.070 13.897 0.841) 27.806 5.078 ( 13.684 7.900 3.232) 16.128 6.413 ( -1.330 -0.768 0.202) 1.549 6.442 ( 1.168 0.675 0.848) 1.594 7.076 ( -12.293 -7.098 11.200) 18.082 8.324 ( 8.236 4.755 -1.583) 9.641 8.937 ( -23.135 -13.357 -13.103) 29.755 9.279 ( -4.534 -2.617 9.385) 10.746 10.988 ( -13.854 -7.999 1.558) 16.073 11.588 ( -9.414 -5.435 -0.222) 10.873 12.043 ( -12.946 -7.475 -0.855) 14.974 12.628 ( -1.556 -0.898 -1.154) 2.136 14.812 ( 8.657 4.998 12.727) 16.183 15.633 ( 2.983 1.722 -14.951) 15.343======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( 0.000 10.055 4.037) 10.835 1.879 ( 0.000 22.077 11.999) 25.127 2.691 ( -0.000 -3.004 -1.756) 3.480 2.796 ( -0.000 6.521 -2.456) 6.968 3.519 ( 0.000 22.098 18.512) 28.827 4.788 ( -0.000 4.389 -16.848) 17.410 6.453 ( 0.000 -1.979 0.633) 2.078 6.476 ( -0.000 -0.753 -0.235) 0.789 7.842 ( -0.000 -12.500 -2.912) 12.835 8.000 ( 0.000 4.079 0.722) 4.142 9.253 ( 0.000 1.636 0.388) 1.681 10.390 ( -0.000 -52.176 5.498) 52.465 11.499 ( -0.000 -6.993 -0.626) 7.021 11.825 ( -0.000 1.936 -2.261) 2.977 12.590 ( -0.000 -8.458 -1.201) 8.543 12.659 ( 0.000 -0.772 0.521) 0.932 13.430 ( 0.000 53.970 -0.863) 53.977 15.808 ( -0.000 -8.527 0.012) 8.527======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 5.152 13.560 3.988) 15.044 2.291 ( 13.467 22.867 9.634) 28.233 2.669 ( 2.270 1.412 -5.550) 6.160 2.932 ( 6.366 9.281 -1.979) 11.428 3.928 ( 14.391 23.743 10.543) 29.698 4.821 ( 2.981 7.178 -10.248) 12.862 6.436 ( -0.235 -0.721 0.116) 0.767 6.451 ( -1.265 -1.406 -0.075) 1.893 7.591 ( -11.400 -13.699 0.170) 17.823 8.078 ( 3.693 4.289 -0.406) 5.674 9.271 ( 0.557 -0.320 0.761) 0.996 9.760 ( -19.210 -35.112 1.849) 40.066 11.365 ( -5.881 -8.623 0.173) 10.439 11.786 ( -2.588 -4.530 -1.606) 5.459 12.423 ( -7.626 -12.138 -0.227) 14.337 12.644 ( -0.057 -1.306 -0.216) 1.325 14.157 ( 22.358 40.943 0.351) 46.651 15.682 ( -3.602 -9.395 -1.060) 10.117======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.221 ( 8.757 14.701 2.939) 17.362 2.663 ( 3.260 8.177 16.169) 18.410 2.866 ( 19.448 13.496 -17.337) 29.342 3.154 ( 8.024 12.547 -1.637) 14.983 4.466 ( 19.037 21.839 0.096) 28.972 4.976 ( 8.797 9.180 1.395) 12.791 6.417 ( -0.889 -1.597 0.348) 1.861 6.445 ( 0.825 1.737 0.197) 1.933 7.274 ( -13.177 -8.408 6.362) 16.876 8.203 ( 7.515 2.630 -1.662) 8.134 9.125 ( -21.133 -16.659 -10.826) 29.006 9.274 ( 0.142 -10.494 8.496) 13.503 11.147 ( -10.865 -7.383 1.024) 13.176 11.656 ( -5.733 -6.605 -0.115) 8.747 12.130 ( -10.640 -14.404 0.048) 17.908 12.631 ( -0.131 -0.801 -0.731) 1.093 14.797 ( 13.410 22.201 6.663) 26.779 15.532 ( -1.171 -7.666 -7.806) 11.003======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( -0.000 13.644 -3.816) 14.168 2.476 ( 0.000 29.505 0.488) 29.509 2.665 ( 0.000 2.563 4.220) 4.937 2.973 ( 0.000 11.107 1.296) 11.182 4.095 ( 0.000 28.135 5.819) 28.731 4.852 ( -0.000 10.413 -7.027) 12.562 6.430 ( -0.000 -0.231 -0.061) 0.239 6.448 ( -0.000 -1.597 -0.695) 1.742 7.483 ( -0.000 -19.116 -7.934) 20.697 8.133 ( 0.000 8.216 2.101) 8.480 9.248 ( 0.000 -6.204 4.277) 7.535 9.592 ( -0.000 -30.722 0.851) 30.733 11.290 ( -0.000 -13.196 -1.821) 13.321 11.754 ( -0.000 -6.374 -0.594) 6.402 12.348 ( -0.000 -14.880 -1.215) 14.930 12.648 ( 0.000 -1.118 1.309) 1.721 14.378 ( 0.000 40.373 -3.749) 40.547 15.628 ( 0.000 -9.218 4.908) 10.443======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( 0.000 0.000 5.356) 5.356 1.690 ( 0.000 0.000 5.356) 5.356 2.727 ( -0.000 -0.000 -2.676) 2.676 2.727 ( -0.000 -0.000 -2.676) 2.676 3.338 ( 0.000 0.000 15.826) 15.826 4.699 ( -0.000 -0.000 -11.610) 11.610 6.481 ( 0.000 0.000 0.223) 0.223 6.481 ( -0.000 0.000 0.223) 0.223 7.964 ( 0.000 -0.000 -0.438) 0.438 7.964 ( 0.000 -0.000 -0.438) 0.438 9.232 ( 0.000 0.000 0.332) 0.332 11.310 ( 0.000 0.000 0.652) 0.652 11.564 ( 0.000 0.000 0.393) 0.393 11.564 ( 0.000 0.000 0.393) 0.393 12.669 ( -0.000 -0.000 -0.260) 0.260 12.669 ( -0.000 -0.000 -0.260) 0.260 12.737 ( -0.000 -0.000 -0.280) 0.280 15.894 ( -0.000 -0.000 -0.174) 0.174======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( 7.169 4.139 5.536) 9.959 1.949 ( 19.810 11.437 -1.267) 22.909 2.674 ( -2.257 -1.303 0.522) 2.657 2.796 ( 6.264 3.617 -2.480) 7.646 3.602 ( 18.262 10.543 4.276) 21.516 4.711 ( 3.551 2.050 -3.486) 5.382 6.458 ( -1.728 -0.997 -0.385) 2.032 6.471 ( -0.866 -0.500 0.588) 1.160 7.814 ( -12.674 -7.317 2.401) 14.830 8.011 ( 4.106 2.370 -1.455) 4.959 9.255 ( 1.570 0.907 -0.020) 1.814 10.420 ( -44.084 -25.452 -0.401) 50.905 11.489 ( -6.548 -3.781 1.296) 7.671 11.817 ( 1.439 0.831 -0.694) 1.801 12.580 ( -7.649 -4.416 0.681) 8.859 12.666 ( -0.316 -0.183 -0.956) 1.023 13.425 ( 46.201 26.674 0.307) 53.349 15.812 ( -6.628 -3.827 -0.819) 7.697=================== 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 3/60750 10.0 10927.328 10927.328 45294.950 0.000 -0.000 0.000 3/60750 20.0 2724.450 2724.450 3421.471 0.000 -0.000 0.000 3/60750 30.0 742.829 742.829 700.720 0.000 -0.000 0.000 3/60750 40.0 298.257 298.257 251.587 0.000 -0.000 0.000 3/60750 50.0 158.841 158.841 123.760 0.000 -0.000 0.000 3/60750 60.0 100.562 100.562 73.893 0.000 -0.000 0.000 3/60750 70.0 70.941 70.941 49.984 0.000 -0.000 0.000 3/60750 80.0 53.763 53.763 36.774 0.000 -0.000 0.000 3/60750 90.0 42.839 42.839 28.692 0.000 -0.000 0.000 3/60750 100.0 35.408 35.408 23.359 0.000 -0.000 0.000 3/60750 110.0 30.090 30.090 19.629 0.000 -0.000 0.000 3/60750 120.0 26.128 26.128 16.901 0.000 -0.000 0.000 3/60750 130.0 23.080 23.080 14.830 0.000 -0.000 0.000 3/60750 140.0 20.671 20.671 13.211 0.000 -0.000 0.000 3/60750 150.0 18.725 18.725 11.914 0.000 -0.000 0.000 3/60750 160.0 17.122 17.122 10.854 0.000 -0.000 0.000 3/60750 170.0 15.781 15.781 9.971 0.000 -0.000 0.000 3/60750 180.0 14.642 14.642 9.225 0.000 -0.000 0.000 3/60750 190.0 13.663 13.663 8.587 0.000 -0.000 0.000 3/60750 200.0 12.813 12.813 8.035 0.000 -0.000 0.000 3/60750 210.0 12.067 12.067 7.552 0.000 -0.000 0.000 3/60750 220.0 11.407 11.407 7.126 0.000 -0.000 0.000 3/60750 230.0 10.819 10.819 6.748 0.000 -0.000 0.000 3/60750 240.0 10.292 10.292 6.409 0.000 -0.000 0.000 3/60750 250.0 9.816 9.816 6.104 0.000 -0.000 0.000 3/60750 260.0 9.384 9.384 5.828 0.000 -0.000 0.000 3/60750 270.0 8.990 8.990 5.577 0.000 -0.000 0.000 3/60750 280.0 8.630 8.630 5.348 0.000 -0.000 0.000 3/60750 290.0 8.298 8.298 5.138 0.000 -0.000 0.000 3/60750 300.0 7.992 7.992 4.944 0.000 -0.000 0.000 3/60750 310.0 7.709 7.709 4.764 0.000 -0.000 0.000 3/60750 320.0 7.445 7.445 4.598 0.000 -0.000 0.000 3/60750 330.0 7.200 7.200 4.443 0.000 -0.000 0.000 3/60750 340.0 6.971 6.971 4.299 0.000 -0.000 0.000 3/60750 350.0 6.757 6.757 4.164 0.000 -0.000 0.000 3/60750 360.0 6.555 6.555 4.038 0.000 -0.000 0.000 3/60750 370.0 6.366 6.366 3.919 0.000 -0.000 0.000 3/60750 380.0 6.188 6.188 3.808 0.000 -0.000 0.000 3/60750 390.0 6.020 6.020 3.702 0.000 -0.000 0.000 3/60750 400.0 5.860 5.860 3.603 0.000 -0.000 0.000 3/60750 410.0 5.710 5.710 3.509 0.000 -0.000 0.000 3/60750 420.0 5.567 5.567 3.419 0.000 -0.000 0.000 3/60750 430.0 5.431 5.431 3.335 0.000 -0.000 0.000 3/60750 440.0 5.302 5.302 3.254 0.000 -0.000 0.000 3/60750 450.0 5.178 5.178 3.178 0.000 -0.000 0.000 3/60750 460.0 5.061 5.061 3.105 0.000 -0.000 0.000 3/60750 470.0 4.949 4.949 3.035 0.000 -0.000 0.000 3/60750 480.0 4.842 4.842 2.969 0.000 -0.000 0.000 3/60750 490.0 4.739 4.739 2.905 0.000 -0.000 0.000 3/60750 500.0 4.641 4.641 2.844 0.000 -0.000 0.000 3/60750 510.0 4.547 4.547 2.786 0.000 -0.000 0.000 3/60750 520.0 4.457 4.457 2.730 0.000 -0.000 0.000 3/60750 530.0 4.370 4.370 2.676 0.000 -0.000 0.000 3/60750 540.0 4.287 4.287 2.625 0.000 -0.000 0.000 3/60750 550.0 4.206 4.206 2.575 0.000 -0.000 0.000 3/60750 560.0 4.129 4.129 2.527 0.000 -0.000 0.000 3/60750 570.0 4.055 4.055 2.481 0.000 -0.000 0.000 3/60750 580.0 3.983 3.983 2.437 0.000 -0.000 0.000 3/60750 590.0 3.914 3.914 2.394 0.000 -0.000 0.000 3/60750 600.0 3.847 3.847 2.353 0.000 -0.000 0.000 3/60750 610.0 3.782 3.782 2.313 0.000 -0.000 0.000 3/60750 620.0 3.720 3.720 2.275 0.000 -0.000 0.000 3/60750 630.0 3.660 3.660 2.237 0.000 -0.000 0.000 3/60750 640.0 3.601 3.601 2.202 0.000 -0.000 0.000 3/60750 650.0 3.545 3.545 2.167 0.000 -0.000 0.000 3/60750 660.0 3.490 3.490 2.133 0.000 -0.000 0.000 3/60750 670.0 3.437 3.437 2.100 0.000 -0.000 0.000 3/60750 680.0 3.385 3.385 2.069 0.000 -0.000 0.000 3/60750 690.0 3.335 3.335 2.038 0.000 -0.000 0.000 3/60750 700.0 3.287 3.287 2.008 0.000 -0.000 0.000 3/60750 710.0 3.240 3.240 1.979 0.000 -0.000 0.000 3/60750 720.0 3.194 3.194 1.951 0.000 -0.000 0.000 3/60750 730.0 3.150 3.150 1.924 0.000 -0.000 0.000 3/60750 740.0 3.106 3.106 1.897 0.000 -0.000 0.000 3/60750 750.0 3.064 3.064 1.871 0.000 -0.000 0.000 3/60750 760.0 3.023 3.023 1.846 0.000 -0.000 0.000 3/60750 770.0 2.983 2.983 1.822 0.000 -0.000 0.000 3/60750 780.0 2.945 2.945 1.798 0.000 -0.000 0.000 3/60750 790.0 2.907 2.907 1.775 0.000 -0.000 0.000 3/60750 800.0 2.870 2.870 1.752 0.000 -0.000 0.000 3/60750 810.0 2.834 2.834 1.730 0.000 -0.000 0.000 3/60750 820.0 2.799 2.799 1.709 0.000 -0.000 0.000 3/60750 830.0 2.765 2.765 1.688 0.000 -0.000 0.000 3/60750 840.0 2.732 2.732 1.667 0.000 -0.000 0.000 3/60750 850.0 2.699 2.699 1.647 0.000 -0.000 0.000 3/60750 860.0 2.667 2.667 1.628 0.000 -0.000 0.000 3/60750 870.0 2.636 2.636 1.609 0.000 -0.000 0.000 3/60750 880.0 2.606 2.606 1.590 0.000 -0.000 0.000 3/60750 890.0 2.577 2.577 1.572 0.000 -0.000 0.000 3/60750 900.0 2.548 2.548 1.554 0.000 -0.000 0.000 3/60750 910.0 2.519 2.519 1.537 0.000 -0.000 0.000 3/60750 920.0 2.492 2.492 1.520 0.000 -0.000 0.000 3/60750 930.0 2.465 2.465 1.504 0.000 -0.000 0.000 3/60750 940.0 2.438 2.438 1.487 0.000 -0.000 0.000 3/60750 950.0 2.412 2.412 1.471 0.000 -0.000 0.000 3/60750 960.0 2.387 2.387 1.456 0.000 -0.000 0.000 3/60750 970.0 2.362 2.362 1.441 0.000 -0.000 0.000 3/60750 980.0 2.338 2.338 1.426 0.000 -0.000 0.000 3/60750 990.0 2.314 2.314 1.411 0.000 -0.000 0.000 3/60750 1000.0 2.291 2.291 1.397 0.000 -0.000 0.000 3/60750Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 01:27:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|