# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/ea360a28-db57-4621-a77d-fa01fc9e65eb/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 LiF / Fm-3m (225) / materials id 1138](https://mdr.nims.go.jp/datasets/4f4fc2c6-5555-417a-beef-40fe7859cc6a) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 18:43:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 2] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]Spacegroup: Fm-3m (225)Number of symmetry operations in supercell: 1536------------------------------ primitive cell ------------------------------Lattice vectors: a 0.000000000000000 1.997617855000001 1.997617855000001 b 1.997617855000001 0.000000000000000 1.997617855000001 c 1.997617855000001 1.997617855000001 0.000000000000000Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *2 F 0.50000000000000 0.50000000000000 0.50000000000000 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.995235710000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.995235710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.995235710000001Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 *5 F 0.50000000000000 0.00000000000000 0.00000000000000 18.998 > 2 6 F 0.50000000000000 0.50000000000000 0.50000000000000 18.998 > 2 7 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 2 8 F 0.00000000000000 0.50000000000000 0.00000000000000 18.998 > 2-------------------------------- super cell --------------------------------Lattice vectors: a 7.990471420000002 0.000000000000000 0.000000000000000 b 0.000000000000000 7.990471420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.990471420000002Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 1 10 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 1 11 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 1 12 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 1 13 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 1 14 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 1 15 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 1 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 1 17 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 1 18 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 1 19 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 1 20 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 1 21 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 1 22 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 1 23 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 1 24 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 1 25 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 26 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 27 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 28 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 29 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 1 30 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 1 31 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 1 32 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 1 *33 F 0.25000000000000 0.00000000000000 0.00000000000000 18.998 > 2 34 F 0.75000000000000 0.00000000000000 0.00000000000000 18.998 > 2 35 F 0.25000000000000 0.50000000000000 0.00000000000000 18.998 > 2 36 F 0.75000000000000 0.50000000000000 0.00000000000000 18.998 > 2 37 F 0.25000000000000 0.00000000000000 0.50000000000000 18.998 > 2 38 F 0.75000000000000 0.00000000000000 0.50000000000000 18.998 > 2 39 F 0.25000000000000 0.50000000000000 0.50000000000000 18.998 > 2 40 F 0.75000000000000 0.50000000000000 0.50000000000000 18.998 > 2 41 F 0.25000000000000 0.25000000000000 0.25000000000000 18.998 > 2 42 F 0.75000000000000 0.25000000000000 0.25000000000000 18.998 > 2 43 F 0.25000000000000 0.75000000000000 0.25000000000000 18.998 > 2 44 F 0.75000000000000 0.75000000000000 0.25000000000000 18.998 > 2 45 F 0.25000000000000 0.25000000000000 0.75000000000000 18.998 > 2 46 F 0.75000000000000 0.25000000000000 0.75000000000000 18.998 > 2 47 F 0.25000000000000 0.75000000000000 0.75000000000000 18.998 > 2 48 F 0.75000000000000 0.75000000000000 0.75000000000000 18.998 > 2 49 F 0.00000000000000 0.00000000000000 0.25000000000000 18.998 > 2 50 F 0.50000000000000 0.00000000000000 0.25000000000000 18.998 > 2 51 F 0.00000000000000 0.50000000000000 0.25000000000000 18.998 > 2 52 F 0.50000000000000 0.50000000000000 0.25000000000000 18.998 > 2 53 F 0.00000000000000 0.00000000000000 0.75000000000000 18.998 > 2 54 F 0.50000000000000 0.00000000000000 0.75000000000000 18.998 > 2 55 F 0.00000000000000 0.50000000000000 0.75000000000000 18.998 > 2 56 F 0.50000000000000 0.50000000000000 0.75000000000000 18.998 > 2 57 F 0.00000000000000 0.25000000000000 0.00000000000000 18.998 > 2 58 F 0.50000000000000 0.25000000000000 0.00000000000000 18.998 > 2 59 F 0.00000000000000 0.75000000000000 0.00000000000000 18.998 > 2 60 F 0.50000000000000 0.75000000000000 0.00000000000000 18.998 > 2 61 F 0.00000000000000 0.25000000000000 0.50000000000000 18.998 > 2 62 F 0.50000000000000 0.25000000000000 0.50000000000000 18.998 > 2 63 F 0.00000000000000 0.75000000000000 0.50000000000000 18.998 > 2 64 F 0.50000000000000 0.75000000000000 0.50000000000000 18.998 > 2----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.0873527 0.0000000 0.0000000 0.0000000 2.0873527 0.0000000 0.0000000 0.0000000 2.0873527-------------------------- Born effective charges -------------------------- 1 Li 1.0447908 0.0000000 0.0000000 0.0000000 1.0447908 0.0000000 0.0000000 0.0000000 1.0447908 2 F -1.0447908 0.0000000 0.0000000 0.0000000 -1.0447908 0.0000000 0.0000000 0.0000000 -1.0447908----------------------------------------------------------------------------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: 192/192Permutation basis: 852/852Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 33Number of blocks in projector: 33Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 28Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 3Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 2Use standard eigh solver.Tree of FC basis block matrices:- (33, 31), data: False|-- (2, 2), data: True|-- (3, 3), data: True|-- (28, 26), data: True-----Solver_atoms: 1 -- 64 / 64Time (Solver_compr_matrix_reshape): 0.001Solver_block: 80 / 80 - Time: 0.008Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.010--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 192/192Permutation basis: 852/852Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 33Number of blocks in projector: 33Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 28Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 3Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 2Use standard eigh solver.Tree of FC basis block matrices:- (33, 31), data: False|-- (2, 2), data: True|-- (3, 3), data: True|-- (28, 26), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 18:43:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 18:43:22]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 2]Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]Spacegroup: Fm-3m (225)------------------------------ primitive cell ------------------------------Lattice vectors: a 0.000000000000000 1.997617855000001 1.997617855000001 b 1.997617855000001 0.000000000000000 1.997617855000001 c 1.997617855000001 1.997617855000001 0.000000000000000Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 F 0.50000000000000 0.50000000000000 0.50000000000000 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 7.990471420000002 0.000000000000000 0.000000000000000 b 0.000000000000000 7.990471420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.990471420000002Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 1 10 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 1 11 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 1 12 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 1 13 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 1 14 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 1 15 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 1 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 1 17 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 1 18 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 1 19 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 1 20 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 1 21 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 1 22 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 1 23 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 1 24 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 1 25 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 26 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 27 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 28 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 29 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 1 30 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 1 31 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 1 32 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 1 33 F 0.25000000000000 0.00000000000000 0.00000000000000 18.998 > 33 34 F 0.75000000000000 0.00000000000000 0.00000000000000 18.998 > 33 35 F 0.25000000000000 0.50000000000000 0.00000000000000 18.998 > 33 36 F 0.75000000000000 0.50000000000000 0.00000000000000 18.998 > 33 37 F 0.25000000000000 0.00000000000000 0.50000000000000 18.998 > 33 38 F 0.75000000000000 0.00000000000000 0.50000000000000 18.998 > 33 39 F 0.25000000000000 0.50000000000000 0.50000000000000 18.998 > 33 40 F 0.75000000000000 0.50000000000000 0.50000000000000 18.998 > 33 41 F 0.25000000000000 0.25000000000000 0.25000000000000 18.998 > 33 42 F 0.75000000000000 0.25000000000000 0.25000000000000 18.998 > 33 43 F 0.25000000000000 0.75000000000000 0.25000000000000 18.998 > 33 44 F 0.75000000000000 0.75000000000000 0.25000000000000 18.998 > 33 45 F 0.25000000000000 0.25000000000000 0.75000000000000 18.998 > 33 46 F 0.75000000000000 0.25000000000000 0.75000000000000 18.998 > 33 47 F 0.25000000000000 0.75000000000000 0.75000000000000 18.998 > 33 48 F 0.75000000000000 0.75000000000000 0.75000000000000 18.998 > 33 49 F 0.00000000000000 0.00000000000000 0.25000000000000 18.998 > 33 50 F 0.50000000000000 0.00000000000000 0.25000000000000 18.998 > 33 51 F 0.00000000000000 0.50000000000000 0.25000000000000 18.998 > 33 52 F 0.50000000000000 0.50000000000000 0.25000000000000 18.998 > 33 53 F 0.00000000000000 0.00000000000000 0.75000000000000 18.998 > 33 54 F 0.50000000000000 0.00000000000000 0.75000000000000 18.998 > 33 55 F 0.00000000000000 0.50000000000000 0.75000000000000 18.998 > 33 56 F 0.50000000000000 0.50000000000000 0.75000000000000 18.998 > 33 57 F 0.00000000000000 0.25000000000000 0.00000000000000 18.998 > 33 58 F 0.50000000000000 0.25000000000000 0.00000000000000 18.998 > 33 59 F 0.00000000000000 0.75000000000000 0.00000000000000 18.998 > 33 60 F 0.50000000000000 0.75000000000000 0.00000000000000 18.998 > 33 61 F 0.00000000000000 0.25000000000000 0.50000000000000 18.998 > 33 62 F 0.50000000000000 0.25000000000000 0.50000000000000 18.998 > 33 63 F 0.00000000000000 0.75000000000000 0.50000000000000 18.998 > 33 64 F 0.50000000000000 0.75000000000000 0.50000000000000 18.998 > 33----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.0873527 0.0000000 0.0000000 0.0000000 2.0873527 0.0000000 0.0000000 0.0000000 2.0873527-------------------------- Born effective charges -------------------------- 1 Li 1.0447908 0.0000000 0.0000000 0.0000000 1.0447908 0.0000000 0.0000000 0.0000000 1.0447908 2 F -1.0447908 0.0000000 0.0000000 0.0000000 -1.0447908 0.0000000 0.0000000 0.0000000 -1.0447908----------------------------------------------------------------------------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]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000035 (yyy) -0.00000035 (yyy) -0.00000035 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 18:43:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 18:43:23]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 2]Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]Spacegroup: Fm-3m (225)------------------------------ primitive cell ------------------------------Lattice vectors: a 0.000000000000000 1.997617855000001 1.997617855000001 b 1.997617855000001 0.000000000000000 1.997617855000001 c 1.997617855000001 1.997617855000001 0.000000000000000Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 F 0.50000000000000 0.50000000000000 0.50000000000000 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 7.990471420000002 0.000000000000000 0.000000000000000 b 0.000000000000000 7.990471420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.990471420000002Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 1 10 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 1 11 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 1 12 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 1 13 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 1 14 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 1 15 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 1 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 1 17 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 1 18 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 1 19 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 1 20 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 1 21 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 1 22 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 1 23 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 1 24 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 1 25 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 26 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 27 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 28 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 29 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 1 30 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 1 31 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 1 32 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 1 33 F 0.25000000000000 0.00000000000000 0.00000000000000 18.998 > 33 34 F 0.75000000000000 0.00000000000000 0.00000000000000 18.998 > 33 35 F 0.25000000000000 0.50000000000000 0.00000000000000 18.998 > 33 36 F 0.75000000000000 0.50000000000000 0.00000000000000 18.998 > 33 37 F 0.25000000000000 0.00000000000000 0.50000000000000 18.998 > 33 38 F 0.75000000000000 0.00000000000000 0.50000000000000 18.998 > 33 39 F 0.25000000000000 0.50000000000000 0.50000000000000 18.998 > 33 40 F 0.75000000000000 0.50000000000000 0.50000000000000 18.998 > 33 41 F 0.25000000000000 0.25000000000000 0.25000000000000 18.998 > 33 42 F 0.75000000000000 0.25000000000000 0.25000000000000 18.998 > 33 43 F 0.25000000000000 0.75000000000000 0.25000000000000 18.998 > 33 44 F 0.75000000000000 0.75000000000000 0.25000000000000 18.998 > 33 45 F 0.25000000000000 0.25000000000000 0.75000000000000 18.998 > 33 46 F 0.75000000000000 0.25000000000000 0.75000000000000 18.998 > 33 47 F 0.25000000000000 0.75000000000000 0.75000000000000 18.998 > 33 48 F 0.75000000000000 0.75000000000000 0.75000000000000 18.998 > 33 49 F 0.00000000000000 0.00000000000000 0.25000000000000 18.998 > 33 50 F 0.50000000000000 0.00000000000000 0.25000000000000 18.998 > 33 51 F 0.00000000000000 0.50000000000000 0.25000000000000 18.998 > 33 52 F 0.50000000000000 0.50000000000000 0.25000000000000 18.998 > 33 53 F 0.00000000000000 0.00000000000000 0.75000000000000 18.998 > 33 54 F 0.50000000000000 0.00000000000000 0.75000000000000 18.998 > 33 55 F 0.00000000000000 0.50000000000000 0.75000000000000 18.998 > 33 56 F 0.50000000000000 0.50000000000000 0.75000000000000 18.998 > 33 57 F 0.00000000000000 0.25000000000000 0.00000000000000 18.998 > 33 58 F 0.50000000000000 0.25000000000000 0.00000000000000 18.998 > 33 59 F 0.00000000000000 0.75000000000000 0.00000000000000 18.998 > 33 60 F 0.50000000000000 0.75000000000000 0.00000000000000 18.998 > 33 61 F 0.00000000000000 0.25000000000000 0.50000000000000 18.998 > 33 62 F 0.50000000000000 0.25000000000000 0.50000000000000 18.998 > 33 63 F 0.00000000000000 0.75000000000000 0.50000000000000 18.998 > 33 64 F 0.50000000000000 0.75000000000000 0.50000000000000 18.998 > 33----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.0873527 0.0000000 0.0000000 0.0000000 2.0873527 0.0000000 0.0000000 0.0000000 2.0873527-------------------------- Born effective charges -------------------------- 1 Li 1.0447908 0.0000000 0.0000000 0.0000000 1.0447908 0.0000000 0.0000000 0.0000000 1.0447908 2 F -1.0447908 0.0000000 0.0000000 0.0000000 -1.0447908 0.0000000 0.0000000 0.0000000 -1.0447908----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000035 (yyy) -0.00000035 (yyy) -0.00000035 (yyy)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 22 22 22 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.65, Number of G-points: 307, Lambda: 0.25Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/328) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 328Calculating 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 9.620 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/328) =======================q-point: ( 0.05 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1012Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( -24.900 24.900 24.900) 43.129 0.854 ( -24.900 24.900 24.900) 43.129 1.527 ( -44.538 44.538 44.538) 77.143 9.598 ( 1.227 -1.227 -1.227) 2.125 9.598 ( 1.227 -1.227 -1.227) 2.125 19.404 ( 2.030 -2.030 -2.030) 3.517======================= Grid point 2 (3/328) =======================q-point: ( 0.09 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( -24.316 24.316 24.316) 42.117 1.695 ( -24.316 24.316 24.316) 42.117 3.034 ( -43.668 43.668 43.668) 75.635 9.539 ( 2.139 -2.139 -2.139) 3.706 9.539 ( 2.139 -2.139 -2.139) 3.706 19.304 ( 3.737 -3.737 -3.737) 6.473======================= Grid point 3 (4/328) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1012Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.510 ( -23.376 23.376 23.376) 40.489 2.510 ( -23.376 23.376 23.376) 40.489 4.500 ( -42.168 42.168 42.168) 73.038 9.458 ( 2.548 -2.548 -2.548) 4.414 9.458 ( 2.548 -2.548 -2.548) 4.414 19.155 ( 4.889 -4.889 -4.889) 8.468======================= Grid point 4 (5/328) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.287 ( -22.109 22.109 22.109) 38.294 3.287 ( -22.109 22.109 22.109) 38.294 5.904 ( -39.964 39.964 39.964) 69.219 9.371 ( 2.460 -2.460 -2.460) 4.261 9.371 ( 2.460 -2.460 -2.460) 4.261 18.978 ( 5.400 -5.400 -5.400) 9.353======================= Grid point 5 (6/328) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1012Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.016 ( -20.520 20.520 20.520) 35.542 4.016 ( -20.520 20.520 20.520) 35.542 7.219 ( -36.953 36.953 36.953) 64.005 9.294 ( 2.062 -2.062 -2.062) 3.571 9.294 ( 2.062 -2.062 -2.062) 3.571 18.793 ( 5.330 -5.330 -5.330) 9.233======================= Grid point 6 (7/328) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.684 ( -18.577 18.577 18.577) 32.176 4.684 ( -18.577 18.577 18.577) 32.176 8.416 ( -33.034 33.034 33.034) 57.217 9.231 ( 1.617 -1.617 -1.617) 2.800 9.231 ( 1.617 -1.617 -1.617) 2.800 18.619 ( 4.831 -4.831 -4.831) 8.367======================= Grid point 7 (8/328) =======================q-point: ( 0.32 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1012Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.279 ( -16.197 16.197 16.197) 28.054 5.279 ( -16.197 16.197 16.197) 28.054 9.181 ( 1.323 -1.323 -1.323) 2.291 9.181 ( 1.323 -1.323 -1.323) 2.291 9.463 ( -28.134 28.134 28.134) 48.729 18.467 ( 4.069 -4.069 -4.069) 7.047======================= Grid point 8 (9/328) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.783 ( -13.253 13.253 13.253) 22.955 5.783 ( -13.253 13.253 13.253) 22.955 9.139 ( 1.202 -1.202 -1.202) 2.082 9.139 ( 1.202 -1.202 -1.202) 2.082 10.326 ( -22.242 22.242 22.242) 38.524 18.343 ( 3.165 -3.165 -3.165) 5.482======================= Grid point 9 (10/328) =======================q-point: ( 0.41 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1012Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.175 ( -9.584 9.584 9.584) 16.600 6.175 ( -9.584 9.584 9.584) 16.600 9.099 ( 1.077 -1.077 -1.077) 1.866 9.099 ( 1.077 -1.077 -1.077) 1.866 10.971 ( -15.439 15.439 15.439) 26.741 18.252 ( 2.175 -2.175 -2.175) 3.766======================= Grid point 10 (11/328) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.428 ( -5.097 5.097 5.097) 8.829 6.428 ( -5.097 5.097 5.097) 8.829 9.068 ( 0.693 -0.693 -0.693) 1.201 9.068 ( 0.693 -0.693 -0.693) 1.201 11.371 ( -7.920 7.920 7.920) 13.718 18.195 ( 1.112 -1.112 -1.112) 1.927======================= Grid point 11 (12/328) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 512Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.516 ( -0.000 0.000 0.000) 0.000 6.516 ( -0.000 0.000 0.000) 0.000 9.056 ( -0.000 0.000 0.000) 0.000 9.056 ( -0.000 0.000 0.000) 0.000 11.507 ( -0.000 0.000 0.000) 0.000 18.176 ( -0.000 0.000 0.000) 0.000======================= Grid point 24 (13/328) =======================q-point: ( 0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 828Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( -0.000 0.000 47.611) 47.611 1.093 ( -0.000 0.000 47.611) 47.611 1.627 ( -0.000 0.000 70.909) 70.909 9.643 ( -0.000 0.000 2.008) 2.008 9.643 ( -0.000 0.000 2.008) 2.008 19.340 ( 0.000 -0.000 -8.655) 8.655======================= Grid point 25 (14/328) =======================q-point: ( 0.09 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( -6.964 6.964 44.234) 45.317 1.752 ( -10.277 10.277 43.248) 45.625 2.791 ( -28.153 28.153 61.068) 72.900 9.592 ( 5.433 -5.433 2.297) 8.019 9.644 ( 2.292 -2.292 3.005) 4.420 19.238 ( -1.000 1.000 -12.198) 12.280======================= Grid point 26 (15/328) =======================q-point: ( 0.14 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.389 ( -13.270 13.270 38.435) 42.772 2.495 ( -13.724 13.724 38.339) 42.972 4.161 ( -34.195 34.195 53.012) 71.755 9.479 ( 5.793 -5.793 1.032) 8.257 9.610 ( 4.131 -4.131 4.050) 7.109 19.102 ( -0.148 0.148 -13.971) 13.973======================= Grid point 27 (16/328) =======================q-point: ( 0.18 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.135 ( -15.476 15.476 34.391) 40.765 3.234 ( -14.831 14.831 34.142) 40.070 5.528 ( -35.691 35.691 46.726) 68.783 9.363 ( 4.857 -4.857 0.090) 6.869 9.554 ( 5.311 -5.311 5.057) 9.055 18.932 ( 0.552 -0.552 -14.712) 14.732======================= Grid point 28 (17/328) =======================q-point: ( 0.23 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.865 ( -15.577 15.577 31.506) 38.444 3.940 ( -14.872 14.872 30.266) 36.856 6.835 ( -35.110 35.110 40.836) 64.288 9.266 ( 3.656 -3.656 0.130) 5.172 9.488 ( 5.847 -5.847 5.837) 10.121 18.748 ( 0.707 -0.707 -14.797) 14.831======================= Grid point 29 (18/328) =======================q-point: ( 0.27 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.553 ( -14.474 14.474 29.053) 35.540 4.595 ( -14.249 14.249 26.471) 33.268 8.041 ( -32.953 32.953 34.345) 57.891 9.202 ( 2.600 -2.600 1.450) 3.953 9.422 ( 5.921 -5.921 6.172) 10.402 18.569 ( 0.359 -0.359 -14.460) 14.469======================= Grid point 30 (19/328) =======================q-point: ( 0.32 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.178 ( -12.535 12.535 26.545) 31.920 5.186 ( -13.046 13.046 22.620) 29.190 9.026 ( -17.077 17.077 11.624) 26.802 9.257 ( -10.326 10.326 19.105) 24.046 9.358 ( 5.756 -5.756 5.924) 10.067 18.407 ( -0.349 0.349 -13.896) 13.904======================= Grid point 31 (20/328) =======================q-point: ( 0.36 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.698 ( -11.186 11.186 18.591) 24.411 5.721 ( -9.874 9.874 23.647) 27.463 9.113 ( 0.956 -0.956 1.691) 2.165 9.294 ( 5.478 -5.478 5.115) 9.284 10.062 ( -23.567 23.567 23.739) 40.919 18.270 ( -1.282 1.282 -13.235) 13.359======================= Grid point 32 (21/328) =======================q-point: ( 0.41 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.111 ( -8.508 8.508 14.241) 18.644 6.158 ( -6.465 6.465 20.116) 22.096 9.109 ( 1.851 -1.851 3.532) 4.397 9.225 ( 5.037 -5.037 3.952) 8.146 10.768 ( -18.111 18.111 16.336) 30.379 18.165 ( -2.358 2.358 -12.508) 12.944======================= Grid point 33 (22/328) =======================q-point: ( 0.45 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.400 ( -4.851 4.851 9.442) 11.672 6.463 ( -2.234 2.234 15.830) 16.142 9.112 ( 2.378 -2.378 5.646) 6.572 9.157 ( 4.235 -4.235 2.738) 6.585 11.246 ( -11.248 11.248 8.599) 18.083 18.094 ( -3.526 3.526 -11.655) 12.677======================= Grid point 34 (23/328) =======================q-point: ( 0.50 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.538 ( -0.259 0.259 4.231) 4.247 6.612 ( 2.722 -2.722 10.994) 11.648 9.099 ( 2.941 -2.941 1.679) 4.485 9.133 ( 2.642 -2.642 8.083) 8.905 11.469 ( -3.626 3.626 0.653) 5.169 18.061 ( -4.726 4.726 -10.605) 12.536======================= Grid point 35 (24/328) =======================q-point: (-0.45 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.504 ( 4.786 -4.786 -1.019) 6.844 6.588 ( 7.949 -7.949 6.290) 12.881 9.064 ( 1.367 -1.367 0.680) 2.050 9.177 ( 2.816 -2.816 10.442) 11.176 11.425 ( 4.282 -4.282 -7.175) 9.389 18.068 ( -5.868 5.868 -9.345) 12.498======================= Grid point 36 (25/328) =======================q-point: (-0.41 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.301 ( 9.544 -9.544 -5.763) 14.677 6.399 ( 12.865 -12.865 2.476) 18.361 9.051 ( -0.059 0.059 -0.502) 0.509 9.238 ( 3.171 -3.171 12.192) 12.991 11.115 ( 12.034 -12.034 -14.405) 22.297 18.115 ( -6.870 6.870 -7.942) 12.549======================= Grid point 37 (26/328) =======================q-point: (-0.36 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.948 ( 13.564 -13.564 -9.700) 21.496 6.068 ( 17.179 -17.179 -0.149) 24.296 9.052 ( -1.184 1.184 -1.855) 2.499 9.305 ( 3.715 -3.715 12.987) 14.010 10.558 ( 19.299 -19.299 -20.371) 34.057 18.199 ( -7.711 7.711 -6.488) 12.689======================= Grid point 38 (27/328) =======================q-point: (-0.32 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.472 ( 16.815 -16.815 -12.826) 27.018 5.622 ( 20.909 -20.909 -1.709) 29.619 9.062 ( -2.187 2.187 -3.069) 4.357 9.351 ( 4.889 -4.889 9.472) 11.727 9.796 ( 25.206 -25.206 -21.218) 41.483 18.317 ( -8.412 8.412 -5.060) 12.928======================= Grid point 39 (28/328) =======================q-point: (-0.27 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.898 ( 19.442 -19.442 -15.203) 31.418 5.084 ( 24.172 -24.172 -2.459) 34.273 8.770 ( 29.696 -29.696 -30.720) 52.033 9.084 ( -3.263 3.263 -3.799) 5.977 9.468 ( 6.442 -6.442 15.751) 18.196 18.466 ( -8.971 8.971 -3.732) 13.225======================= Grid point 40 (29/328) =======================q-point: (-0.23 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.248 ( 21.615 -21.615 -16.787) 34.875 4.471 ( 27.064 -27.064 -2.612) 38.364 7.654 ( 35.820 -35.820 -32.822) 60.361 9.127 ( -4.406 4.406 -3.862) 7.331 9.520 ( 5.254 -5.254 15.828) 17.485 18.638 ( -9.306 9.306 -2.597) 13.415======================= Grid point 41 (30/328) =======================q-point: (-0.18 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.539 ( 23.505 -23.505 -17.337) 37.491 3.797 ( 29.627 -29.627 -2.277) 41.961 6.410 ( 40.430 -40.430 -32.662) 65.849 9.198 ( -5.390 5.390 -3.294) 8.304 9.583 ( 4.647 -4.647 14.770) 16.166 18.826 ( -9.255 9.255 -1.760) 13.207======================= Grid point 42 (31/328) =======================q-point: (-0.14 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.790 ( 25.295 -25.295 -16.258) 39.293 3.076 ( 31.823 -31.823 -1.449) 45.028 5.084 ( 44.569 -44.569 -29.778) 69.710 9.295 ( -5.871 5.871 -2.297) 8.614 9.641 ( 3.928 -3.928 12.330) 13.524 19.014 ( -8.623 8.623 -1.248) 12.259======================= Grid point 43 (32/328) =======================q-point: (-0.09 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( 27.144 -27.144 -12.042) 40.231 2.322 ( 33.461 -33.461 -0.246) 47.322 3.724 ( 48.652 -48.652 -21.758) 72.163 9.407 ( -5.551 5.551 -1.133) 7.932 9.677 ( 3.069 -3.069 7.735) 8.869 19.184 ( -7.251 7.251 -0.850) 10.289======================= Grid point 44 (33/328) =======================q-point: (-0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1529Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.311 ( 28.616 -28.616 -0.000) 40.470 1.552 ( 34.075 -34.075 -0.000) 48.189 2.427 ( 52.228 -52.228 -0.000) 73.862 9.515 ( -4.328 4.328 0.000) 6.121 9.666 ( 2.047 -2.047 -0.000) 2.895 19.321 ( -5.134 5.134 0.000) 7.260======================= Grid point 47 (34/328) =======================q-point: ( 0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 834Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.158 ( -0.000 0.000 45.785) 45.785 2.158 ( -0.000 0.000 45.785) 45.785 3.214 ( -0.000 0.000 68.283) 68.283 9.710 ( -0.000 0.000 3.843) 3.843 9.710 ( -0.000 0.000 3.843) 3.843 19.049 ( 0.000 -0.000 -16.840) 16.840======================= Grid point 48 (35/328) =======================q-point: ( 0.14 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.703 ( -3.335 3.335 44.575) 44.824 2.740 ( -6.000 6.000 42.985) 43.814 4.203 ( -18.644 18.644 61.974) 67.350 9.677 ( 6.450 -6.450 4.924) 10.366 9.733 ( 2.181 -2.181 4.710) 5.630 18.866 ( -2.272 2.272 -20.285) 20.538======================= Grid point 49 (36/328) =======================q-point: ( 0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.325 ( -7.609 7.609 42.256) 43.604 3.382 ( -9.039 9.039 38.911) 40.957 5.384 ( -26.241 26.241 53.614) 65.204 9.563 ( 8.404 -8.404 5.793) 13.221 9.721 ( 3.943 -3.943 5.581) 7.890 18.684 ( -3.062 3.062 -22.351) 22.767======================= Grid point 50 (37/328) =======================q-point: ( 0.23 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.993 ( -9.806 9.806 39.709) 42.061 4.024 ( -10.393 10.393 34.659) 37.647 6.585 ( -29.236 29.236 45.557) 61.522 9.445 ( 7.863 -7.863 6.656) 12.959 9.684 ( 5.164 -5.164 6.325) 9.661 18.497 ( -3.336 3.336 -23.176) 23.651======================= Grid point 51 (38/328) =======================q-point: ( 0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.636 ( -10.727 10.727 30.434) 34.005 4.661 ( -10.091 10.091 37.291) 39.928 7.731 ( -29.515 29.515 37.406) 56.049 9.366 ( 6.352 -6.352 8.187) 12.154 9.632 ( 5.903 -5.903 6.749) 10.735 18.312 ( -3.712 3.712 -23.252) 23.837======================= Grid point 52 (39/328) =======================q-point: ( 0.32 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.199 ( -10.319 10.319 26.235) 30.020 5.290 ( -9.000 9.000 34.810) 37.065 8.741 ( -25.170 25.170 26.379) 44.304 9.367 ( 2.254 -2.254 13.011) 13.396 9.570 ( 6.319 -6.319 6.694) 11.165 18.141 ( -4.347 4.347 -22.974) 23.783======================= Grid point 53 (40/328) =======================q-point: ( 0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.697 ( -9.217 9.217 21.991) 25.563 5.853 ( -6.882 6.882 31.995) 33.442 9.198 ( 0.006 -0.006 9.336) 9.336 9.496 ( 6.541 -6.541 6.124) 11.094 9.821 ( -20.448 20.448 24.064) 37.621 17.990 ( -5.230 5.230 -22.578) 23.759======================= Grid point 54 (41/328) =======================q-point: ( 0.41 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.112 ( -7.314 7.314 17.590) 20.406 6.323 ( -3.887 3.887 28.620) 29.143 9.254 ( 3.522 -3.522 10.530) 11.649 9.411 ( 6.571 -6.571 5.165) 10.632 10.528 ( -19.382 19.382 17.026) 32.268 17.867 ( -6.327 6.327 -22.122) 23.863======================= Grid point 55 (42/328) =======================q-point: ( 0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.422 ( -4.438 4.438 12.912) 14.357 6.672 ( -0.040 0.040 24.585) 24.585 9.296 ( 4.305 -4.305 12.760) 14.138 9.317 ( 6.263 -6.263 4.066) 9.746 11.060 ( -13.906 13.906 9.153) 21.692 17.776 ( -7.608 7.608 -21.497) 24.039======================= Grid point 56 (43/328) =======================q-point: ( 0.50 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.599 ( -0.504 0.504 7.931) 7.963 6.876 ( 4.583 -4.583 20.097) 21.116 9.223 ( 5.432 -5.432 3.057) 8.268 9.352 ( 4.735 -4.735 15.189) 16.600 11.359 ( -7.002 7.002 1.264) 9.983 17.726 ( -8.998 8.998 -20.512) 24.138======================= Grid point 57 (44/328) =======================q-point: (-0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.619 ( 4.234 -4.234 2.892) 6.650 6.919 ( 9.642 -9.642 15.803) 20.873 9.143 ( 4.122 -4.122 2.148) 6.213 9.426 ( 5.025 -5.025 17.314) 18.716 11.403 ( 0.595 -0.595 -6.367) 6.422 17.721 ( -10.335 10.335 -19.033) 23.997======================= Grid point 58 (45/328) =======================q-point: (-0.41 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.473 ( 9.122 -9.122 -1.692) 13.010 6.801 ( 14.617 -14.617 12.432) 24.121 9.085 ( 2.695 -2.695 1.120) 3.972 9.513 ( 5.385 -5.385 18.422) 19.934 11.189 ( 8.289 -8.289 -13.165) 17.628 17.763 ( -11.423 11.423 -17.090) 23.516======================= Grid point 59 (46/328) =======================q-point: (-0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.172 ( 13.534 -13.534 -5.392) 19.885 6.544 ( 19.144 -19.144 10.235) 28.944 9.044 ( 1.448 -1.448 -0.129) 2.052 9.592 ( 5.930 -5.930 17.623) 19.517 10.737 ( 15.569 -15.569 -17.901) 28.376 17.850 ( -12.157 12.157 -14.820) 22.699======================= Grid point 60 (47/328) =======================q-point: (-0.32 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.743 ( 17.253 -17.253 -8.079) 25.703 6.171 ( 23.125 -23.125 8.961) 33.909 9.015 ( 0.310 -0.310 -1.374) 1.442 9.605 ( 8.509 -8.509 7.295) 14.072 10.120 ( 20.185 -20.185 -12.329) 31.095 17.977 ( -12.559 12.559 -12.364) 21.641======================= Grid point 61 (48/328) =======================q-point: (-0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.212 ( 20.339 -20.339 -9.757) 30.373 5.702 ( 26.570 -26.570 8.152) 38.450 9.001 ( -0.958 0.958 -2.247) 2.624 9.073 ( 25.350 -25.350 -25.665) 44.090 9.847 ( 9.635 -9.635 17.173) 21.922 18.139 ( -12.686 12.686 -9.817) 20.451======================= Grid point 62 (49/328) =======================q-point: (-0.23 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.604 ( 22.901 -22.901 -10.331) 33.995 5.151 ( 29.474 -29.474 7.315) 42.319 8.094 ( 32.828 -32.828 -27.349) 53.882 9.012 ( -2.449 2.449 -2.491) 4.267 9.859 ( 7.469 -7.469 17.019) 20.031 18.329 ( -12.539 12.539 -7.246) 19.156======================= Grid point 63 (50/328) =======================q-point: (-0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.943 ( 25.026 -25.026 -9.472) 36.637 4.529 ( 31.751 -31.751 5.949) 45.294 6.988 ( 38.347 -38.347 -23.718) 59.191 9.059 ( -4.008 4.008 -2.069) 6.033 9.877 ( 6.404 -6.404 13.490) 16.249 18.541 ( -12.021 12.021 -4.710) 17.641======================= Grid point 64 (51/328) =======================q-point: (-0.14 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.260 ( 26.735 -26.735 -6.473) 38.360 3.843 ( 33.242 -33.242 3.508) 47.142 5.832 ( 43.260 -43.260 -15.220) 63.044 9.147 ( -5.282 5.282 -1.148) 7.558 9.867 ( 5.282 -5.282 7.836) 10.826 18.765 ( -10.998 10.998 -2.245) 15.714======================= Grid point 65 (52/328) =======================q-point: (-0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.597 ( 27.814 -27.814 -0.000) 39.334 3.099 ( 33.857 -33.857 -0.000) 47.880 4.705 ( 47.334 -47.334 -0.000) 66.940 9.269 ( -5.883 5.883 0.000) 8.319 9.807 ( 4.148 -4.148 -0.000) 5.866 18.986 ( -9.400 9.400 0.000) 13.293======================= Grid point 70 (53/328) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 828Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.168 ( -0.000 0.000 42.848) 42.848 3.168 ( -0.000 0.000 42.848) 42.848 4.722 ( -0.000 0.000 64.019) 64.019 9.815 ( -0.000 0.000 5.351) 5.351 9.815 ( -0.000 0.000 5.351) 5.351 18.581 ( 0.000 -0.000 -24.073) 24.073======================= Grid point 71 (54/328) =======================q-point: ( 0.18 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.685 ( -3.511 3.511 41.521) 41.817 3.690 ( -3.897 3.897 40.209) 40.585 5.581 ( -12.552 12.552 58.635) 61.263 9.809 ( 5.869 -5.869 6.528) 10.559 9.856 ( 2.057 -2.057 6.006) 6.674 18.325 ( -2.969 2.969 -26.948) 27.273======================= Grid point 72 (55/328) =======================q-point: ( 0.23 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.244 ( -6.159 6.159 36.538) 37.561 4.271 ( -6.774 6.774 40.343) 41.465 6.574 ( -19.314 19.314 50.523) 57.434 9.726 ( 8.237 -8.237 8.321) 14.315 9.861 ( 3.768 -3.768 6.607) 8.488 18.099 ( -4.922 4.922 -28.783) 29.613======================= Grid point 73 (56/328) =======================q-point: ( 0.27 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.792 ( -7.278 7.278 32.490) 34.082 4.897 ( -8.253 8.253 39.083) 40.789 7.580 ( -22.574 22.574 41.612) 52.447 9.644 ( 7.990 -7.990 10.460) 15.398 9.837 ( 5.073 -5.073 7.003) 10.025 17.893 ( -6.133 6.133 -29.655) 30.898======================= Grid point 74 (57/328) =======================q-point: ( 0.32 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.308 ( -7.565 7.565 28.320) 30.273 5.521 ( -7.900 7.900 37.639) 39.262 8.522 ( -22.590 22.590 31.970) 45.197 9.617 ( 5.837 -5.837 13.411) 15.748 9.790 ( 6.040 -6.040 7.039) 11.068 17.704 ( -7.085 7.085 -29.954) 31.585======================= Grid point 75 (58/328) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.775 ( -7.139 7.139 24.097) 26.127 6.101 ( -6.110 6.110 35.772) 36.801 9.247 ( -11.312 11.312 19.349) 25.106 9.722 ( 6.765 -6.765 6.641) 11.646 9.759 ( -5.605 5.605 19.657) 21.195 17.534 ( -8.057 8.057 -30.027) 32.116======================= Grid point 76 (59/328) =======================q-point: ( 0.41 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.175 ( -5.961 5.961 19.793) 21.513 6.602 ( -3.240 3.240 33.247) 33.561 9.484 ( 2.765 -2.765 15.598) 16.081 9.634 ( 7.277 -7.277 5.867) 11.846 10.296 ( -17.495 17.495 17.487) 30.298 17.389 ( -9.201 9.201 -30.015) 32.714======================= Grid point 77 (60/328) =======================q-point: ( 0.45 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.489 ( -3.878 3.878 15.333) 16.284 6.995 ( 0.496 -0.496 29.977) 29.985 9.526 ( 7.478 -7.478 4.899) 11.655 9.581 ( 4.882 -4.882 17.901) 19.187 10.832 ( -15.155 15.155 9.740) 23.542 17.273 ( -10.613 10.613 -29.798) 33.365======================= Grid point 78 (61/328) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.692 ( -0.738 0.738 10.682) 10.733 7.255 ( 4.937 -4.937 26.208) 27.122 9.409 ( 7.187 -7.187 3.953) 10.906 9.678 ( 5.690 -5.690 20.356) 21.889 11.185 ( -9.670 9.670 2.071) 13.831 17.198 ( -12.297 12.297 -29.046) 33.854======================= Grid point 79 (62/328) =======================q-point: (-0.45 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.758 ( 3.405 -3.405 5.986) 7.682 7.364 ( 9.816 -9.816 22.582) 26.507 9.294 ( 6.326 -6.326 3.114) 9.473 9.784 ( 6.277 -6.277 21.992) 23.716 11.311 ( -2.765 2.765 -5.071) 6.403 17.176 ( -14.059 14.059 -27.409) 33.861======================= Grid point 81 (63/328) =======================q-point: (-0.41 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.670 ( 8.090 -8.090 1.661) 11.560 7.324 ( 14.742 -14.742 19.732) 28.705 9.194 ( 5.109 -5.109 2.246) 7.566 9.886 ( 6.816 -6.816 21.755) 23.795 11.197 ( 4.659 -4.659 -10.931) 12.764 17.216 ( -15.532 15.532 -24.758) 33.098======================= Grid point 82 (64/328) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.432 ( 12.645 -12.645 -1.812) 17.974 7.148 ( 19.380 -19.380 17.758) 32.658 9.112 ( 3.889 -3.889 1.186) 5.626 9.954 ( 7.504 -7.504 17.584) 20.538 10.866 ( 11.713 -11.713 -13.056) 21.092 17.318 ( -16.394 16.394 -21.250) 31.450======================= Grid point 83 (65/328) =======================q-point: (-0.32 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.062 ( 16.645 -16.645 -4.175) 23.907 6.852 ( 23.547 -23.547 16.179) 37.023 9.043 ( 2.748 -2.748 0.042) 3.886 9.873 ( 11.216 -11.216 -1.180) 15.906 10.446 ( 15.030 -15.030 0.094) 21.256 17.475 ( -16.573 16.573 -17.155) 29.045======================= Grid point 84 (66/328) =======================q-point: (-0.27 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.588 ( 20.011 -20.011 -5.367) 28.804 6.447 ( 27.130 -27.130 14.216) 40.917 8.990 ( 1.473 -1.473 -0.852) 2.251 9.342 ( 21.541 -21.541 -20.915) 36.952 10.271 ( 10.815 -10.815 15.835) 22.015 17.679 ( -16.191 16.191 -12.717) 26.192======================= Grid point 85 (67/328) =======================q-point: (-0.23 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.038 ( 22.778 -22.778 -5.294) 32.645 5.941 ( 30.001 -30.001 11.022) 43.836 8.523 ( 28.698 -28.698 -20.198) 45.333 8.961 ( -0.128 0.128 -1.192) 1.206 10.224 ( 8.883 -8.883 13.589) 18.506 17.920 ( -15.396 15.396 -8.159) 23.251======================= Grid point 86 (68/328) =======================q-point: (-0.18 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.442 ( 24.935 -24.935 -3.680) 35.455 5.333 ( 32.004 -32.004 6.038) 45.661 7.611 ( 34.507 -34.507 -12.579) 50.395 8.973 ( -2.008 2.008 -0.869) 2.970 10.159 ( 7.580 -7.580 7.618) 13.151 18.190 ( -14.264 14.264 -3.766) 20.521======================= Grid point 87 (69/328) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1529Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.833 ( 26.364 -26.364 -0.000) 37.284 4.625 ( 33.072 -33.072 -0.000) 46.771 6.691 ( 39.542 -39.542 -0.000) 55.921 9.035 ( -3.869 3.869 0.000) 5.471 10.045 ( 6.367 -6.367 -0.000) 9.004 18.479 ( -12.807 12.807 0.000) 18.111======================= Grid point 94 (70/328) =======================q-point: ( 0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 834Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.100 ( -0.000 0.000 38.949) 38.949 4.100 ( -0.000 0.000 38.949) 38.949 6.116 ( -0.000 0.000 58.270) 58.270 9.950 ( -0.000 0.000 6.416) 6.416 9.950 ( -0.000 0.000 6.416) 6.416 17.965 ( 0.000 -0.000 -29.843) 29.843======================= Grid point 95 (71/328) =======================q-point: ( 0.23 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.561 ( -2.647 2.647 36.196) 36.389 4.583 ( -4.441 4.441 37.253) 37.778 6.855 ( -8.308 8.308 53.038) 54.324 9.969 ( 4.699 -4.699 7.480) 10.006 10.002 ( 1.953 -1.953 6.803) 7.342 17.652 ( -3.391 3.391 -31.899) 32.258======================= Grid point 96 (72/328) =======================q-point: ( 0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.034 ( -4.263 4.263 32.681) 33.233 5.144 ( -7.878 7.878 36.210) 37.885 7.666 ( -13.316 13.316 45.220) 48.985 9.932 ( 6.611 -6.611 9.582) 13.388 10.017 ( 3.652 -3.652 7.072) 8.757 17.389 ( -5.974 5.974 -33.245) 34.302======================= Grid point 97 (73/328) =======================q-point: ( 0.32 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.491 ( -5.068 5.068 28.816) 29.694 5.750 ( -9.102 9.102 35.513) 37.774 8.467 ( -15.902 15.902 36.110) 42.540 9.907 ( 6.154 -6.154 12.379) 15.133 9.998 ( 5.072 -5.072 7.091) 10.086 17.163 ( -7.750 7.750 -34.070) 35.789======================= Grid point 98 (74/328) =======================q-point: ( 0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.914 ( -5.189 5.189 24.802) 25.865 6.350 ( -8.091 8.091 34.790) 36.623 9.184 ( -14.960 14.960 26.304) 33.756 9.948 ( 6.250 -6.250 6.769) 11.133 9.955 ( 3.010 -3.010 15.860) 16.422 16.964 ( -9.094 9.094 -34.679) 36.987======================= Grid point 99 (75/328) =======================q-point: ( 0.41 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.286 ( -4.631 4.631 20.708) 21.718 6.895 ( -5.330 5.330 33.593) 34.428 9.675 ( -4.617 4.617 18.751) 19.856 9.868 ( 7.209 -7.209 6.115) 11.888 10.190 ( -7.761 7.761 17.565) 20.713 16.788 ( -10.387 10.387 -35.262) 38.200======================= Grid point 100 (76/328) =======================q-point: ( 0.45 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.590 ( -3.278 3.278 16.529) 17.167 7.345 ( -1.383 1.383 31.633) 31.694 9.761 ( 7.885 -7.885 5.248) 12.324 9.893 ( 2.629 -2.629 19.716) 20.063 10.620 ( -13.042 13.042 11.462) 21.715 16.637 ( -11.950 11.950 -35.714) 39.511======================= Grid point 101 (77/328) =======================q-point: ( 0.50 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.804 ( -0.960 0.960 12.256) 12.331 7.670 ( 3.265 -3.265 29.057) 29.421 9.632 ( 8.127 -8.127 4.345) 12.288 10.045 ( 4.543 -4.543 21.812) 22.738 10.985 ( -10.427 10.427 4.580) 15.441 16.525 ( -14.004 14.004 -35.559) 40.702======================= Grid point 102 (78/328) =======================q-point: ( 0.55 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.904 ( 2.402 -2.402 7.981) 8.673 7.855 ( 8.229 -8.229 26.431) 28.880 9.494 ( 7.796 -7.796 3.527) 11.576 10.181 ( 5.552 -5.552 21.882) 23.248 11.181 ( -4.736 4.736 -0.839) 6.750 16.474 ( -16.470 16.470 -34.074) 41.274======================= Grid point 103 (79/328) =======================q-point: (-0.41 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.871 ( 6.581 -6.581 4.005) 10.131 7.898 ( 13.220 -13.220 24.226) 30.602 9.362 ( 6.950 -6.950 2.749) 10.205 10.278 ( 6.223 -6.223 17.912) 19.957 11.181 ( 2.458 -2.458 -3.455) 4.901 16.506 ( -18.811 18.811 -30.699) 40.622======================= Grid point 104 (80/328) =======================q-point: (-0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.697 ( 11.007 -11.007 0.775) 15.585 7.807 ( 18.026 -18.026 22.269) 33.849 9.242 ( 5.881 -5.881 1.865) 8.523 10.277 ( 7.021 -7.021 6.595) 11.920 11.017 ( 9.422 -9.422 0.484) 13.333 16.632 ( -20.287 20.287 -25.488) 38.377======================= Grid point 105 (81/328) =======================q-point: (-0.32 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.394 ( 15.111 -15.111 -1.364) 21.413 7.585 ( 22.462 -22.462 19.703) 37.380 9.136 ( 4.807 -4.807 0.884) 6.856 10.059 ( 10.718 -10.718 -10.580) 18.484 10.822 ( 12.536 -12.536 11.013) 20.870 16.844 ( -20.527 20.527 -19.055) 34.724======================= Grid point 106 (82/328) =======================q-point: (-0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.987 ( 18.626 -18.626 -2.277) 26.440 7.230 ( 26.300 -26.300 15.323) 40.227 9.045 ( 3.630 -3.630 0.061) 5.133 9.574 ( 17.362 -17.362 -16.383) 29.517 10.691 ( 11.602 -11.602 12.797) 20.809 17.126 ( -19.689 19.689 -12.178) 30.392======================= Grid point 107 (83/328) =======================q-point: (-0.23 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.505 ( 21.496 -21.496 -1.882) 30.459 6.733 ( 29.258 -29.258 8.356) 42.213 8.941 ( 23.716 -23.716 -11.044) 35.311 8.977 ( 2.110 -2.110 -0.290) 2.998 10.562 ( 10.159 -10.159 7.448) 16.183 17.457 ( -18.168 18.168 -5.587) 26.294======================= Grid point 108 (84/328) =======================q-point: (-0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.977 ( 23.657 -23.657 -0.000) 33.457 6.092 ( 31.147 -31.147 -0.000) 44.049 8.269 ( 29.476 -29.476 -0.000) 41.685 8.948 ( 0.166 -0.166 -0.000) 0.235 10.389 ( 8.804 -8.804 -0.000) 12.451 17.819 ( -16.302 16.302 0.000) 23.054======================= Grid point 117 (85/328) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 828Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.935 ( -0.000 0.000 34.275) 34.275 4.935 ( -0.000 0.000 34.275) 34.275 7.364 ( -0.000 0.000 51.219) 51.219 10.103 ( -0.000 0.000 6.965) 6.965 10.103 ( -0.000 0.000 6.965) 6.965 17.238 ( 0.000 -0.000 -33.606) 33.606======================= Grid point 118 (86/328) =======================q-point: ( 0.27 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.331 ( -1.833 1.833 31.378) 31.485 5.375 ( -5.490 5.490 32.236) 33.157 7.983 ( -5.179 5.179 45.901) 46.481 10.145 ( 3.251 -3.251 7.843) 9.091 10.161 ( 1.891 -1.891 7.053) 7.543 16.891 ( -3.489 3.489 -34.630) 34.980======================= Grid point 119 (87/328) =======================q-point: ( 0.32 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.725 ( -2.965 2.965 27.941) 28.254 5.911 ( -9.655 9.655 31.000) 33.874 8.620 ( -8.271 8.271 38.400) 40.142 10.156 ( 4.221 -4.221 10.046) 11.685 10.178 ( 3.621 -3.621 6.974) 8.652 16.604 ( -6.164 6.164 -35.367) 36.425======================= Grid point 120 (88/328) =======================q-point: ( 0.36 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.096 ( -3.487 3.487 24.238) 24.735 6.502 ( -11.177 11.177 30.382) 34.248 9.217 ( -9.782 9.782 29.647) 32.716 10.156 ( 5.162 -5.162 6.639) 9.867 10.200 ( 3.254 -3.254 13.238) 14.015 16.360 ( -8.018 8.018 -36.136) 37.874======================= Grid point 121 (89/328) =======================q-point: ( 0.41 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.430 ( -3.421 3.421 20.415) 20.981 7.090 ( -9.854 9.854 30.032) 33.108 9.722 ( -8.884 8.884 20.880) 24.368 10.095 ( 6.504 -6.504 6.029) 10.997 10.325 ( 0.297 -0.297 16.667) 16.672 16.142 ( -9.472 9.472 -37.164) 39.504======================= Grid point 122 (90/328) =======================q-point: ( 0.45 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.711 ( -2.692 2.692 16.535) 16.968 7.615 ( -6.200 6.200 29.501) 30.777 9.998 ( 7.596 -7.596 5.212) 11.940 10.081 ( -4.564 4.564 15.560) 16.845 10.572 ( -4.605 4.605 17.278) 18.465 15.946 ( -11.077 11.077 -38.407) 41.479======================= Grid point 123 (91/328) =======================q-point: ( 0.50 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.922 ( -1.147 1.147 12.630) 12.734 8.031 ( -1.138 1.138 28.586) 28.631 9.870 ( 8.320 -8.320 4.320) 12.534 10.306 ( -1.244 1.244 13.263) 13.379 10.888 ( -5.941 5.941 15.334) 17.485 15.779 ( -13.402 13.402 -39.332) 43.660======================= Grid point 124 (92/328) =======================q-point: ( 0.55 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.044 ( 1.359 -1.359 8.777) 8.985 8.313 ( 4.423 -4.423 27.486) 28.189 9.722 ( 8.522 -8.522 3.476) 12.544 10.442 ( 0.091 -0.091 8.029) 8.031 11.161 ( -2.131 2.131 15.634) 15.922 15.674 ( -16.772 16.772 -38.717) 45.405======================= Grid point 125 (93/328) =======================q-point: (-0.41 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.054 ( 4.795 -4.795 5.191) 8.541 8.455 ( 9.975 -9.975 26.272) 29.820 9.566 ( 8.147 -8.147 2.698) 11.834 10.474 ( 1.019 -1.019 -0.821) 1.659 11.325 ( 4.507 -4.507 17.414) 18.544 15.678 ( -20.683 20.683 -34.952) 45.577======================= Grid point 126 (94/328) =======================q-point: (-0.36 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.941 ( 8.801 -8.801 2.235) 12.646 8.455 ( 15.344 -15.344 24.191) 32.497 9.415 ( 7.350 -7.350 1.902) 10.567 10.368 ( 2.973 -2.973 -9.863) 10.722 11.351 ( 10.448 -10.448 17.538) 22.932 15.827 ( -23.625 23.625 -27.448) 43.239======================= Grid point 127 (95/328) =======================q-point: (-0.32 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.708 ( 12.809 -12.809 0.269) 18.117 8.300 ( 20.339 -20.339 19.560) 34.784 9.276 ( 6.384 -6.384 1.056) 9.090 10.118 ( 6.837 -6.837 -14.016) 17.028 11.260 ( 13.098 -13.098 14.126) 23.295 16.120 ( -24.398 24.398 -17.717) 38.786======================= Grid point 128 (96/328) =======================q-point: (-0.27 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.373 ( 16.376 -16.376 -0.505) 23.165 7.965 ( 24.523 -24.523 10.917) 36.359 9.150 ( 5.309 -5.309 0.325) 7.515 9.758 ( 12.180 -12.180 -10.080) 19.958 11.087 ( 12.895 -12.895 7.680) 19.788 16.519 ( -23.189 23.189 -8.046) 33.767======================= Grid point 129 (97/328) =======================q-point: (-0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1529Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.961 ( 19.307 -19.307 -0.000) 27.304 7.433 ( 27.481 -27.481 -0.000) 38.864 9.045 ( 3.942 -3.942 -0.000) 5.575 9.354 ( 18.061 -18.061 -0.000) 25.542 10.852 ( 11.572 -11.572 -0.000) 16.365 16.978 ( -20.875 20.875 0.000) 29.521======================= Grid point 140 (98/328) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 834Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.656 ( -0.000 0.000 29.030) 29.030 5.656 ( -0.000 0.000 29.030) 29.030 8.438 ( -0.000 0.000 43.056) 43.056 10.263 ( -0.000 0.000 6.963) 6.963 10.263 ( -0.000 0.000 6.963) 6.963 16.455 ( 0.000 -0.000 -34.786) 34.786======================= Grid point 141 (99/328) =======================q-point: ( 0.32 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.985 ( -1.282 1.282 26.030) 26.093 6.047 ( -6.486 6.486 26.725) 28.256 8.935 ( -2.821 2.821 37.600) 37.811 10.319 ( 1.880 -1.880 6.750) 7.254 10.322 ( 1.597 -1.597 7.669) 7.995 16.097 ( -3.120 3.120 -34.581) 34.861======================= Grid point 142 (100/328) =======================q-point: ( 0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.301 ( -2.062 2.062 22.667) 22.853 6.551 ( -11.544 11.544 25.208) 30.033 9.405 ( -4.223 4.223 30.430) 31.010 10.331 ( 3.667 -3.667 6.345) 8.195 10.386 ( 1.282 -1.282 10.063) 10.225 15.801 ( -5.272 5.272 -34.660) 35.453======================= Grid point 143 (101/328) =======================q-point: ( 0.41 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.590 ( -2.359 2.359 19.129) 19.418 7.126 ( -13.736 13.736 24.394) 31.183 9.809 ( -4.734 4.734 22.196) 23.183 10.297 ( 5.312 -5.312 5.718) 9.441 10.508 ( -0.332 0.332 13.971) 13.979 15.540 ( -6.640 6.640 -35.441) 36.664======================= Grid point 144 (102/328) =======================q-point: ( 0.45 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.840 ( -2.128 2.128 15.529) 15.818 7.708 ( -12.623 12.623 24.152) 30.033 10.118 ( -4.491 4.491 13.549) 14.964 10.220 ( 6.753 -6.753 4.904) 10.736 10.726 ( -2.373 2.373 18.993) 19.288 15.292 ( -7.857 7.857 -37.079) 38.708======================= Grid point 145 (103/328) =======================q-point: ( 0.50 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.036 ( -1.252 1.252 11.940) 12.070 8.230 ( -8.615 8.615 24.403) 27.276 10.103 ( 7.889 -7.889 3.998) 11.852 10.318 ( -3.726 3.726 4.922) 7.210 11.043 ( -3.387 3.387 24.555) 25.017 15.057 ( -9.849 9.849 -39.290) 41.686======================= Grid point 146 (104/328) =======================q-point: ( 0.55 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.163 ( 0.424 -0.424 8.447) 8.468 8.643 ( -2.753 2.753 25.174) 25.473 9.955 ( 8.582 -8.582 3.103) 12.528 10.399 ( -2.853 2.853 -3.760) 5.515 11.413 ( -1.266 1.266 29.507) 29.561 14.864 ( -13.774 13.774 -40.743) 45.160======================= Grid point 147 (105/328) =======================q-point: (-0.41 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.203 ( 2.985 -2.985 5.217) 6.711 8.922 ( 4.030 -4.030 25.999) 26.617 9.788 ( 8.721 -8.721 2.271) 12.540 10.364 ( -1.985 1.985 -11.827) 12.155 11.725 ( 4.824 -4.824 30.219) 30.980 14.792 ( -20.116 20.116 -37.901) 47.389======================= Grid point 149 (106/328) =======================q-point: (-0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.142 ( 6.293 -6.293 2.529) 9.252 9.039 ( 11.299 -11.299 24.390) 29.158 9.614 ( 8.320 -8.320 1.473) 11.858 10.232 ( -0.967 0.967 -16.451) 16.507 11.842 ( 11.684 -11.684 22.723) 28.096 14.947 ( -26.145 26.145 -27.092) 45.837======================= Grid point 150 (107/328) =======================q-point: (-0.32 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.975 ( 9.938 -9.938 0.711) 14.073 8.937 ( 17.887 -17.887 15.092) 29.456 9.445 ( 7.549 -7.549 0.681) 10.698 10.060 ( 1.320 -1.320 -12.026) 12.170 11.723 ( 14.771 -14.771 10.617) 23.432 15.348 ( -28.010 28.010 -12.280) 41.472======================= Grid point 151 (108/328) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.711 ( 13.418 -13.418 -0.000) 18.975 8.565 ( 22.003 -22.003 -0.000) 31.117 9.288 ( 6.561 -6.561 -0.000) 9.278 9.907 ( 6.265 -6.265 -0.000) 8.860 11.444 ( 14.414 -14.414 -0.000) 20.384 15.905 ( -26.327 26.327 0.000) 37.232======================= Grid point 164 (109/328) =======================q-point: ( 0.32 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 828Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.253 ( -0.000 0.000 23.416) 23.416 6.253 ( -0.000 0.000 23.416) 23.416 9.316 ( -0.000 0.000 33.980) 33.980 10.416 ( -0.000 0.000 6.411) 6.411 10.416 ( -0.000 0.000 6.411) 6.411 15.679 ( 0.000 -0.000 -32.839) 32.839======================= Grid point 165 (110/328) =======================q-point: ( 0.36 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.513 ( -0.904 0.904 20.372) 20.412 6.589 ( -7.365 7.365 20.922) 23.371 9.687 ( -1.044 1.044 28.412) 28.451 10.464 ( 1.909 -1.909 5.917) 6.504 10.490 ( -0.340 0.340 7.033) 7.050 15.342 ( -2.130 2.130 -31.269) 31.414======================= Grid point 166 (111/328) =======================q-point: ( 0.41 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.754 ( -1.439 1.439 17.102) 17.223 7.055 ( -13.277 13.277 19.106) 26.788 9.998 ( -1.074 1.074 21.529) 21.583 10.463 ( 3.763 -3.763 5.241) 7.469 10.613 ( -2.384 2.384 9.883) 10.442 15.051 ( -3.053 3.053 -30.672) 30.975======================= Grid point 167 (112/328) =======================q-point: ( 0.45 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.965 ( -1.576 1.576 13.746) 13.925 7.608 ( -16.314 16.314 17.921) 29.214 10.219 ( -0.577 0.577 13.878) 13.902 10.413 ( 5.479 -5.479 4.402) 8.911 10.838 ( -5.211 5.211 14.839) 16.568 14.772 ( -3.247 3.247 -31.477) 31.810======================= Grid point 168 (113/328) =======================q-point: ( 0.50 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.135 ( -1.233 1.233 10.405) 10.550 8.183 ( -16.031 16.031 17.446) 28.607 10.316 ( 6.956 -6.956 3.468) 10.431 10.336 ( 0.322 -0.322 5.938) 5.955 11.192 ( -7.716 7.716 21.511) 24.120 14.478 ( -3.650 3.650 -33.867) 34.258======================= Grid point 169 (114/328) =======================q-point: ( 0.55 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.253 ( -0.282 0.282 7.178) 7.190 8.717 ( -12.844 12.844 18.014) 25.582 10.178 ( 8.074 -8.074 2.524) 11.694 10.336 ( 1.518 -1.518 -2.242) 3.105 11.666 ( -7.823 7.823 29.410) 31.422 14.176 ( -6.009 6.009 -37.724) 38.670======================= Grid point 170 (115/328) =======================q-point: ( 0.59 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.306 ( 1.398 -1.398 4.210) 4.652 9.167 ( -7.403 7.403 20.191) 22.744 10.009 ( 8.710 -8.710 1.631) 12.425 10.215 ( 2.493 -2.493 -10.877) 11.434 12.159 ( -1.017 1.017 35.035) 35.064 13.942 ( -14.233 14.233 -39.898) 44.688======================= Grid point 171 (116/328) =======================q-point: (-0.36 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.282 ( 3.825 -3.825 1.724) 5.678 9.492 ( 2.299 -2.299 23.878) 24.098 9.823 ( 8.796 -8.796 0.793) 12.464 9.993 ( 0.305 -0.305 -19.785) 19.790 12.373 ( 12.361 -12.361 21.681) 27.851 14.039 ( -27.764 27.764 -23.798) 45.914======================= Grid point 172 (117/328) =======================q-point: (-0.32 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1529Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.170 ( 6.803 -6.803 -0.000) 9.620 9.427 ( 15.944 -15.944 -0.000) 22.549 9.631 ( 8.371 -8.371 -0.000) 11.838 9.929 ( -5.173 5.173 0.000) 7.316 12.145 ( 16.021 -16.021 -0.000) 22.657 14.598 ( -30.628 30.628 0.000) 43.315======================= Grid point 187 (118/328) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 834Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.720 ( -0.000 0.000 17.607) 17.607 6.720 ( -0.000 0.000 17.607) 17.607 9.980 ( -0.000 0.000 24.294) 24.294 10.550 ( -0.000 0.000 5.345) 5.345 10.550 ( -0.000 0.000 5.345) 5.345 14.986 ( 0.000 -0.000 -27.478) 27.478======================= Grid point 188 (119/328) =======================q-point: ( 0.41 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.911 ( -0.652 0.652 14.571) 14.600 6.998 ( -8.086 8.086 14.979) 18.845 10.224 ( 0.340 -0.340 18.783) 18.789 10.585 ( 1.959 -1.959 4.614) 5.383 10.639 ( -2.702 2.702 5.956) 7.076 14.700 ( -0.478 0.478 -24.586) 24.595======================= Grid point 189 (120/328) =======================q-point: ( 0.45 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.079 ( -1.028 1.028 11.416) 11.508 7.419 ( -14.700 14.700 12.840) 24.434 10.385 ( 1.317 -1.317 12.709) 12.845 10.566 ( 3.868 -3.868 3.740) 6.627 10.829 ( -6.907 6.907 8.779) 13.133 14.432 ( 0.474 -0.474 -23.189) 23.199======================= Grid point 190 (121/328) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.215 ( -1.074 1.074 8.258) 8.397 7.939 ( -18.541 18.541 11.057) 28.457 10.451 ( 2.749 -2.749 6.930) 7.946 10.495 ( 5.615 -5.615 2.777) 8.413 11.163 ( -11.765 11.765 13.044) 21.142 14.139 ( 2.251 -2.251 -23.320) 23.536======================= Grid point 191 (122/328) =======================q-point: ( 0.55 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.313 ( -0.699 0.699 5.206) 5.299 8.492 ( -19.385 19.385 9.484) 29.008 10.376 ( 7.085 -7.085 1.798) 10.179 10.414 ( 4.810 -4.810 1.547) 6.976 11.666 ( -16.523 16.523 18.620) 29.878 13.793 ( 4.142 -4.142 -24.876) 25.556======================= Grid point 192 (123/328) =======================q-point: ( 0.59 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.362 ( 0.210 -0.210 2.391) 2.409 9.018 ( -17.989 17.989 7.467) 26.513 10.217 ( 8.160 -8.160 0.865) 11.572 10.268 ( 7.527 -7.527 -2.486) 10.931 12.331 ( -19.228 19.228 26.020) 37.636 13.385 ( 4.690 -4.690 -28.763) 29.518======================= Grid point 193 (124/328) =======================q-point: (-0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.354 ( 1.730 -1.730 -0.000) 2.446 9.455 ( -15.305 15.305 0.000) 21.644 10.028 ( 8.746 -8.746 -0.000) 12.369 10.031 ( 10.824 -10.824 -0.000) 15.307 12.862 ( 14.997 -14.997 -0.000) 21.208 13.184 ( -30.545 30.545 0.000) 43.197======================= Grid point 210 (125/328) =======================q-point: ( 0.41 0.41 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 828Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.054 ( -0.000 0.000 11.731) 11.731 7.054 ( -0.000 0.000 11.731) 11.731 10.423 ( -0.000 0.000 14.712) 14.712 10.656 ( -0.000 0.000 3.839) 3.839 10.656 ( -0.000 0.000 3.839) 3.839 14.451 ( 0.000 -0.000 -19.172) 19.172======================= Grid point 211 (126/328) =======================q-point: ( 0.45 0.41 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.176 ( -0.495 0.495 8.734) 8.762 7.270 ( -8.610 8.610 8.991) 15.136 10.548 ( 1.327 -1.327 9.965) 10.140 10.671 ( 2.009 -2.009 2.934) 4.084 10.755 ( -5.158 5.158 4.075) 8.356 14.243 ( 1.498 -1.498 -15.315) 15.461======================= Grid point 212 (127/328) =======================q-point: ( 0.50 0.41 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.273 ( -0.792 0.792 5.704) 5.813 7.639 ( -15.666 15.666 6.460) 23.077 10.592 ( 2.767 -2.767 5.775) 6.976 10.631 ( 3.947 -3.947 1.948) 5.912 10.992 ( -11.248 11.248 5.147) 16.719 14.020 ( 4.327 -4.327 -12.556) 13.968======================= Grid point 213 (128/328) =======================q-point: ( 0.55 0.41 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.340 ( -0.828 0.828 2.752) 2.991 8.108 ( -19.910 19.910 3.761) 28.408 10.538 ( 5.691 -5.691 0.949) 8.104 10.551 ( 4.729 -4.729 2.051) 6.995 11.388 ( -18.022 18.022 5.671) 26.111 13.756 ( 7.919 -7.919 -9.176) 14.478======================= Grid point 214 (129/328) =======================q-point: (-0.41 -0.59 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1529Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.372 ( -0.521 0.521 0.000) 0.737 8.602 ( -20.937 20.937 0.000) 29.609 10.396 ( 7.128 -7.128 -0.000) 10.081 10.428 ( 6.783 -6.783 -0.000) 9.592 11.916 ( -24.191 24.191 0.000) 34.211 13.471 ( 11.422 -11.422 -0.000) 16.154======================= Grid point 235 (130/328) =======================q-point: ( 0.45 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 834Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.254 ( -0.000 0.000 5.857) 5.857 7.254 ( -0.000 0.000 5.857) 5.857 10.660 ( -0.000 0.000 6.474) 6.474 10.723 ( -0.000 0.000 2.007) 2.007 10.723 ( -0.000 0.000 2.007) 2.007 14.124 ( 0.000 -0.000 -9.511) 9.511======================= Grid point 236 (131/328) =======================q-point: ( 0.50 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.309 ( -0.419 0.419 2.908) 2.968 7.407 ( -8.891 8.891 2.997) 12.926 10.695 ( 1.605 -1.605 3.177) 3.904 10.717 ( 2.038 -2.038 1.007) 3.053 10.816 ( -6.577 6.577 1.240) 9.384 14.010 ( 2.919 -2.919 -5.100) 6.561======================= Grid point 237 (132/328) =======================q-point: (-0.45 -0.55 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1530Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.338 ( -0.714 0.714 0.000) 1.010 7.712 ( -16.014 16.014 0.000) 22.647 10.654 ( 3.976 -3.976 -0.000) 5.622 10.657 ( 3.298 -3.298 -0.000) 4.663 11.052 ( -13.238 13.238 0.000) 18.721 13.875 ( 6.137 -6.137 -0.000) 8.679======================= Grid point 261 (133/328) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.320 ( -0.000 0.000 0.000) 0.000 7.320 ( -0.000 0.000 0.000) 0.000 10.731 ( -0.000 0.000 0.000) 0.000 10.746 ( -0.000 0.000 0.000) 0.000 10.746 ( -0.000 0.000 0.000) 0.000 14.017 ( -0.000 0.000 0.000) 0.000======================= Grid point 546 (134/328) =======================q-point: ( 0.14 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( -0.000 7.592 42.893) 43.560 2.434 ( -0.000 22.721 41.236) 47.081 3.715 ( -0.000 37.343 58.895) 69.736 9.506 ( 0.000 -13.466 2.642) 13.723 9.734 ( -0.000 2.162 3.919) 4.476 19.080 ( 0.000 0.458 -15.465) 15.472======================= Grid point 547 (135/328) =======================q-point: ( 0.18 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.810 ( -8.425 11.731 38.871) 41.468 3.157 ( 1.738 25.921 38.537) 46.476 4.890 ( -17.009 38.096 52.568) 67.112 9.377 ( -0.589 -14.192 2.353) 14.397 9.769 ( 7.742 3.279 4.930) 9.747 18.900 ( -1.854 -1.140 -17.359) 17.495======================= Grid point 548 (136/328) =======================q-point: ( 0.23 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.497 ( -12.444 13.354 35.055) 39.523 3.856 ( 2.442 26.621 35.838) 44.710 6.123 ( -25.346 36.681 45.820) 63.933 9.260 ( -1.521 -13.108 2.451) 13.422 9.755 ( 12.755 4.177 5.943) 14.678 18.705 ( -3.355 -2.496 -18.296) 18.768======================= Grid point 549 (137/328) =======================q-point: ( 0.27 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.180 ( -13.773 13.515 31.551) 36.984 4.518 ( 2.706 25.683 33.107) 41.988 7.322 ( -28.873 34.190 38.983) 59.348 9.174 ( -2.424 -11.364 3.213) 12.056 9.716 ( 15.683 4.896 6.818) 17.788 18.508 ( -4.813 -3.265 -18.557) 19.447======================= Grid point 550 (138/328) =======================q-point: ( 0.32 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.826 ( -13.371 12.883 27.958) 33.562 5.128 ( 2.899 23.520 30.412) 38.555 8.423 ( -28.685 30.329 30.877) 51.924 9.133 ( -3.477 -9.663 5.191) 11.507 9.670 ( 17.173 5.843 7.699) 19.706 18.322 ( -6.394 -3.502 -18.412) 19.803======================= Grid point 551 (139/328) =======================q-point: ( 0.36 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.406 ( -11.711 11.768 23.967) 29.156 5.674 ( 3.239 20.285 27.722) 34.503 9.069 ( -3.805 -1.990 4.472) 6.200 9.372 ( -15.529 11.498 18.481) 26.738 9.695 ( 7.084 14.136 15.056) 21.833 18.157 ( -8.099 -3.342 -18.067) 20.079======================= Grid point 552 (140/328) =======================q-point: ( 0.41 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.898 ( -9.037 10.161 19.467) 23.746 6.140 ( 4.039 16.094 24.829) 29.863 9.093 ( -1.532 -5.391 5.168) 7.623 9.481 ( 14.172 3.533 6.353) 15.928 10.317 ( -20.192 20.909 20.099) 35.339 18.021 ( -9.879 -2.879 -17.613) 20.398======================= Grid point 553 (141/328) =======================q-point: ( 0.45 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.278 ( -5.488 7.767 14.516) 17.354 6.505 ( 5.735 11.155 21.400) 24.805 9.110 ( -0.420 -4.922 6.169) 7.903 9.415 ( 15.641 3.221 6.020) 17.066 10.924 ( -16.677 14.841 12.685) 25.677 17.917 ( -11.674 -2.145 -17.013) 20.745======================= Grid point 554 (142/328) =======================q-point: ( 0.50 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.521 ( -1.137 4.308 9.240) 10.259 6.741 ( 8.674 5.711 17.262) 20.145 9.131 ( 0.997 -3.484 6.268) 7.241 9.347 ( 14.558 2.417 7.060) 16.359 11.308 ( -10.372 7.679 4.874) 13.795 17.852 ( -13.402 -1.158 -16.151) 21.019======================= Grid point 555 (143/328) =======================q-point: (-0.45 0.09 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2673Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.606 ( 3.886 0.000 3.886) 5.496 6.824 ( 12.749 -0.000 12.749) 18.029 9.143 ( 3.819 0.000 3.819) 5.400 9.314 ( 10.872 -0.000 10.872) 15.376 11.439 ( -2.961 0.000 -2.961) 4.187 17.830 ( -14.937 0.000 -14.937) 21.124======================= Grid point 570 (144/328) =======================q-point: ( 0.18 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.164 ( -0.000 2.021 42.767) 42.815 3.375 ( -0.000 17.486 40.851) 44.436 5.055 ( -0.000 26.584 58.202) 63.986 9.607 ( 0.000 -15.800 5.826) 16.840 9.842 ( -0.000 2.351 5.463) 5.948 18.635 ( 0.000 3.337 -23.316) 23.553======================= Grid point 571 (145/328) =======================q-point: ( 0.23 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.718 ( -6.685 5.160 39.925) 40.808 4.037 ( 2.314 21.622 38.262) 44.009 6.077 ( -12.979 28.910 51.194) 60.208 9.487 ( -0.370 -17.494 6.794) 18.771 9.898 ( 7.487 3.605 6.336) 10.449 18.412 ( -2.797 3.025 -25.180) 25.514======================= Grid point 572 (146/328) =======================q-point: ( 0.27 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.321 ( -10.064 6.962 36.364) 38.368 4.679 ( 3.898 22.986 36.102) 42.975 7.141 ( -20.570 28.950 43.153) 55.887 9.384 ( -1.270 -16.615 7.942) 18.460 9.906 ( 12.707 4.673 7.260) 15.363 18.196 ( -5.299 2.294 -26.089) 26.720======================= Grid point 573 (147/328) =======================q-point: ( 0.32 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.917 ( -10.763 7.871 32.204) 34.855 5.288 ( 4.621 21.907 34.356) 41.007 8.161 ( -23.764 27.290 34.436) 49.953 9.326 ( -2.641 -14.670 9.551) 17.703 9.887 ( 16.080 5.685 8.179) 18.915 17.993 ( -7.600 1.702 -26.390) 27.515======================= Grid point 574 (148/328) =======================q-point: ( 0.36 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.467 ( -9.539 8.326 27.510) 30.284 5.849 ( 4.852 18.798 32.763) 38.083 9.017 ( -16.725 17.132 20.874) 31.764 9.366 ( -9.392 -7.123 14.732) 18.867 9.871 ( 16.760 7.993 10.164) 21.168 17.809 ( -9.827 1.432 -26.401) 28.207======================= Grid point 575 (149/328) =======================q-point: ( 0.41 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.942 ( -7.178 8.172 22.546) 25.033 6.343 ( 5.282 14.338 30.796) 34.378 9.245 ( -1.834 -7.768 10.713) 13.360 9.657 ( 6.563 4.521 9.407) 12.329 10.118 ( -10.896 18.866 19.051) 28.941 17.650 ( -12.034 1.540 -26.290) 28.954======================= Grid point 576 (150/328) =======================q-point: ( 0.45 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.322 ( -4.172 6.954 17.515) 19.301 6.747 ( 6.583 9.192 28.028) 30.222 9.283 ( -0.664 -8.979 10.774) 14.041 9.646 ( 16.531 3.771 8.587) 19.006 10.697 ( -16.945 16.442 13.185) 27.042 17.522 ( -14.240 2.071 -26.021) 29.735======================= Grid point 577 (151/328) =======================q-point: ( 0.50 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.586 ( -0.559 4.400 12.436) 13.203 7.031 ( 9.091 3.707 24.427) 26.327 9.298 ( 1.743 -7.429 8.901) 11.725 9.605 ( 16.138 2.327 11.757) 20.102 11.130 ( -12.693 10.501 5.441) 17.348 17.432 ( -16.413 3.045 -25.386) 30.383======================= Grid point 578 (152/328) =======================q-point: ( 0.55 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.711 ( 3.786 0.645 7.360) 8.302 7.174 ( 12.720 -1.953 20.458) 24.169 9.272 ( 5.812 -3.540 5.230) 8.583 9.612 ( 12.211 -1.067 16.706) 20.721 11.337 ( -6.205 3.436 -2.181) 7.421 17.390 ( -18.419 4.354 -24.134) 30.670======================= Grid point 579 (153/328) =======================q-point: (-0.41 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.679 ( 8.748 -3.672 2.566) 9.828 7.162 ( 16.958 -7.612 16.910) 25.129 9.215 ( 7.959 -0.146 2.741) 8.419 9.673 ( 9.211 -3.765 19.594) 21.976 11.297 ( 1.213 -4.027 -9.184) 10.102 17.403 ( -20.029 5.702 -22.159) 30.409======================= Grid point 580 (154/328) =======================q-point: (-0.36 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.490 ( 13.891 -7.698 -1.540) 15.956 7.004 ( 21.129 -13.057 14.348) 28.685 9.156 ( 8.018 1.928 1.181) 8.330 9.749 ( 8.066 -5.266 19.567) 21.810 11.015 ( 8.829 -11.172 -14.535) 20.347 17.470 ( -21.072 6.736 -19.573) 29.538======================= Grid point 581 (155/328) =======================q-point: (-0.32 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.160 ( 18.771 -10.947 -4.692) 22.231 6.718 ( 24.812 -18.072 12.732) 33.231 9.104 ( 7.302 3.262 -0.135) 7.999 9.792 ( 8.364 -6.653 14.209) 17.780 10.537 ( 15.750 -16.955 -14.503) 27.310 17.587 ( -21.566 7.249 -16.578) 28.151======================= Grid point 582 (156/328) =======================q-point: (-0.27 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.716 ( 23.176 -13.404 -6.793) 27.621 6.325 ( 27.948 -22.441 11.565) 37.662 9.060 ( 6.306 3.917 -1.312) 7.538 9.571 ( 17.677 -15.500 -14.564) 27.656 10.113 ( 13.652 -13.225 10.103) 21.526 17.746 ( -21.671 7.232 -13.331) 26.451======================= Grid point 583 (157/328) =======================q-point: (-0.23 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.182 ( 27.082 -15.178 -7.744) 31.996 5.839 ( 30.631 -25.952 10.189) 41.420 8.777 ( 25.791 -25.672 -22.222) 42.639 9.071 ( 8.213 6.685 -3.670) 11.207 10.051 ( 9.284 -8.520 16.961) 21.130 17.940 ( -21.527 6.751 -9.931) 24.650======================= Grid point 584 (158/328) =======================q-point: (-0.18 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.587 ( 30.555 -16.248 -7.302) 35.368 5.271 ( 32.941 -28.349 7.960) 44.183 7.835 ( 35.568 -31.143 -21.003) 51.731 9.073 ( 4.840 9.679 -1.784) 10.967 10.041 ( 7.936 -7.076 13.490) 17.177 18.161 ( -21.156 5.843 -6.467) 22.881======================= Grid point 585 (159/328) =======================q-point: (-0.14 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.963 ( 33.707 -16.383 -4.979) 37.807 4.627 ( 34.937 -29.318 4.414) 45.822 6.816 ( 42.576 -34.676 -13.103) 56.452 9.133 ( 3.574 12.009 -0.976) 12.568 10.006 ( 6.831 -5.810 7.657) 11.792 18.404 ( -20.457 4.514 -3.064) 21.172======================= Grid point 586 (160/328) =======================q-point: (-0.09 0.14 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.351 ( 36.603 -15.091 -0.000) 39.591 3.913 ( 36.783 -28.567 -0.000) 46.573 5.806 ( 48.587 -37.352 -0.000) 61.285 9.240 ( 2.768 13.866 0.000) 14.140 9.921 ( 5.802 -4.526 -0.000) 7.358 18.656 ( -19.267 2.845 0.000) 19.476======================= Grid point 593 (161/328) =======================q-point: ( 0.23 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.102 ( -0.000 1.168 39.473) 39.491 4.275 ( -0.000 14.869 37.929) 40.740 6.339 ( -0.000 18.468 54.234) 57.292 9.760 ( 0.000 -15.108 7.486) 16.861 9.980 ( -0.000 2.611 6.562) 7.062 18.032 ( 0.000 4.960 -29.390) 29.805======================= Grid point 594 (162/328) =======================q-point: ( 0.27 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.597 ( -5.233 3.325 36.931) 37.448 4.880 ( 1.288 19.080 35.607) 40.417 7.199 ( -9.406 20.783 47.032) 52.273 9.669 ( -0.717 -17.271 8.967) 19.474 10.054 ( 7.123 4.038 7.251) 10.937 17.769 ( -3.464 5.591 -30.942) 31.633======================= Grid point 595 (163/328) =======================q-point: ( 0.32 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.118 ( -7.031 5.056 33.223) 34.333 5.484 ( 1.908 20.054 34.374) 39.842 8.071 ( -15.474 21.236 38.394) 46.524 9.600 ( -1.992 -16.880 10.654) 20.060 10.082 ( 12.425 5.367 8.122) 15.784 17.533 ( -6.700 5.441 -31.823) 32.973======================= Grid point 596 (164/328) =======================q-point: ( 0.36 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.614 ( -6.340 6.455 28.691) 30.084 6.067 ( 2.146 17.946 33.768) 38.300 8.880 ( -17.209 19.211 28.696) 38.583 9.583 ( -4.225 -14.711 12.435) 19.720 10.088 ( 15.703 6.889 9.468) 19.588 17.321 ( -9.646 5.089 -32.342) 34.131======================= Grid point 597 (165/328) =======================q-point: ( 0.41 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.054 ( -4.541 7.129 23.909) 25.359 6.601 ( 2.883 13.827 32.871) 35.777 9.427 ( -5.594 -0.270 16.799) 17.708 9.711 ( -9.185 0.832 13.600) 16.432 10.142 ( 10.267 10.873 13.552) 20.182 17.133 ( -12.403 4.922 -32.729) 35.345======================= Grid point 598 (166/328) =======================q-point: ( 0.45 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.418 ( -2.301 6.643 19.152) 20.402 7.053 ( 4.589 8.706 31.098) 32.618 9.529 ( -0.852 -11.059 13.230) 17.264 9.874 ( 11.107 4.921 10.565) 16.099 10.495 ( -11.414 15.403 13.770) 23.604 16.972 ( -15.098 5.215 -32.986) 36.650======================= Grid point 599 (167/328) =======================q-point: ( 0.50 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.687 ( 0.410 4.821 14.433) 15.222 7.394 ( 7.299 3.142 28.415) 29.505 9.529 ( 3.201 -9.345 9.526) 13.723 9.910 ( 13.623 2.202 15.427) 20.699 10.919 ( -12.768 12.033 6.578) 18.737 16.849 ( -17.823 6.163 -32.829) 37.860======================= Grid point 600 (168/328) =======================q-point: ( 0.55 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.839 ( 3.849 1.726 9.755) 10.628 7.600 ( 10.846 -2.572 25.305) 27.652 9.466 ( 7.776 -5.581 5.850) 11.218 9.976 ( 10.907 -1.764 20.036) 22.880 11.181 ( -8.220 6.165 -0.421) 10.284 16.777 ( -20.526 7.761 -31.771) 38.613======================= Grid point 601 (169/328) =======================q-point: (-0.41 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.855 ( 8.099 -2.261 5.308) 9.943 7.663 ( 14.908 -8.236 22.480) 28.203 9.371 ( 9.798 -2.714 3.711) 10.823 10.065 ( 9.066 -4.555 21.274) 23.569 11.229 ( -1.595 -0.840 -6.245) 6.500 16.774 ( -22.899 9.633 -29.399) 38.489======================= Grid point 602 (170/328) =======================q-point: (-0.36 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.724 ( 12.842 -6.442 1.466) 14.441 7.588 ( 19.058 -13.722 20.292) 31.037 9.272 ( 9.897 -0.764 2.284) 10.185 10.134 ( 8.299 -6.279 17.967) 20.763 11.064 ( 5.732 -7.897 -9.011) 13.282 16.849 ( -24.514 11.121 -25.673) 37.199======================= Grid point 603 (171/328) =======================q-point: (-0.32 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.455 ( 17.543 -10.180 -1.414) 20.333 7.383 ( 22.913 -18.897 18.435) 34.957 9.182 ( 9.208 0.671 1.045) 9.291 10.101 ( 9.092 -8.364 4.954) 13.310 10.759 ( 11.955 -13.115 -2.233) 17.886 16.998 ( -25.165 11.718 -20.917) 34.758======================= Grid point 604 (172/328) =======================q-point: (-0.27 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.070 ( 21.832 -13.216 -3.153) 25.715 7.058 ( 26.257 -23.528 16.104) 38.760 9.103 ( 8.266 1.921 -0.008) 8.486 9.769 ( 15.799 -14.748 -15.151) 26.395 10.535 ( 12.092 -12.277 12.904) 21.528 17.208 ( -24.989 11.337 -15.556) 31.543======================= Grid point 605 (173/328) =======================q-point: (-0.23 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.595 ( 25.593 -15.521 -3.650) 30.154 6.617 ( 29.028 -27.264 12.349) 41.695 9.024 ( 9.379 -2.671 -3.277) 10.288 9.150 ( 21.955 -14.807 -15.202) 30.535 10.442 ( 10.168 -10.131 13.152) 19.468 17.466 ( -24.276 10.183 -9.984) 28.155======================= Grid point 606 (174/328) =======================q-point: (-0.18 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.062 ( 28.830 -17.021 -2.718) 33.590 6.058 ( 31.279 -29.665 6.654) 43.619 8.360 ( 30.852 -26.805 -11.160) 42.367 9.029 ( 6.486 6.788 -0.766) 9.420 10.347 ( 8.845 -8.592 7.455) 14.409 17.761 ( -23.253 8.521 -4.618) 25.192======================= Grid point 607 (175/328) =======================q-point: (-0.14 0.18 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.503 ( 31.552 -17.459 -0.000) 36.060 5.385 ( 33.203 -30.359 -0.000) 44.990 7.573 ( 37.452 -31.083 -0.000) 48.670 9.053 ( 4.893 9.504 0.000) 10.690 10.207 ( 7.748 -7.156 -0.000) 10.547 18.079 ( -22.004 6.571 0.000) 22.965======================= Grid point 616 (176/328) =======================q-point: ( 0.27 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.951 ( -0.000 1.754 34.946) 34.990 5.091 ( -0.000 13.434 33.702) 36.281 7.508 ( -0.000 12.183 48.234) 49.749 9.941 ( 0.000 -13.222 8.267) 15.593 10.137 ( -0.000 2.933 7.138) 7.718 17.313 ( 0.000 5.784 -33.489) 33.985======================= Grid point 617 (177/328) =======================q-point: ( 0.32 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.386 ( -3.052 3.663 32.222) 32.573 5.647 ( -1.323 17.467 31.609) 36.138 8.204 ( -6.295 13.707 41.061) 43.744 9.885 ( -1.255 -15.294 9.804) 18.209 10.224 ( 6.559 4.559 7.657) 11.065 17.020 ( -3.791 6.798 -34.539) 35.405======================= Grid point 618 (178/328) =======================q-point: ( 0.36 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.820 ( -3.000 5.458 28.294) 28.971 6.231 ( -2.721 17.973 30.964) 35.906 8.879 ( -10.452 13.860 32.437) 36.790 9.854 ( -2.737 -15.158 11.378) 19.149 10.274 ( 11.388 6.143 8.731) 15.609 16.764 ( -7.368 6.872 -35.350) 36.758======================= Grid point 619 (179/328) =======================q-point: ( 0.41 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.214 ( -1.786 6.589 23.921) 24.876 6.806 ( -2.550 15.418 30.814) 34.550 9.470 ( -10.799 11.233 23.301) 28.031 9.863 ( -3.843 -12.563 11.705) 17.596 10.322 ( 12.697 7.775 11.217) 18.641 16.537 ( -10.645 6.640 -36.174) 38.288======================= Grid point 620 (180/328) =======================q-point: ( 0.45 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.549 ( -0.269 6.625 19.526) 20.621 7.324 ( -0.498 10.806 30.287) 32.161 9.797 ( -1.276 -8.707 14.808) 17.226 9.977 ( -3.074 5.321 10.833) 12.455 10.465 ( 3.684 9.996 14.489) 17.983 16.335 ( -13.783 6.691 -37.064) 40.106======================= Grid point 621 (181/328) =======================q-point: ( 0.50 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.810 ( 1.582 5.441 15.189) 16.211 7.740 ( 2.880 5.057 29.023) 29.600 9.789 ( 5.059 -9.221 8.921) 13.792 10.167 ( 3.985 3.288 14.361) 15.262 10.764 ( -6.423 10.409 11.251) 16.619 16.164 ( -17.041 7.542 -37.710) 42.063======================= Grid point 622 (182/328) =======================q-point: ( 0.55 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.976 ( 4.064 3.048 10.931) 12.054 8.028 ( 6.938 -1.063 27.253) 28.142 9.699 ( 9.449 -6.177 5.804) 12.693 10.306 ( 4.659 -0.662 16.142) 16.814 11.043 ( -6.086 6.567 6.947) 11.332 16.045 ( -20.593 9.502 -37.346) 43.693======================= Grid point 623 (183/328) =======================q-point: (-0.41 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.029 ( 7.392 -0.369 6.885) 10.108 8.178 ( 11.251 -7.087 25.464) 28.727 9.576 ( 11.420 -4.077 3.975) 12.761 10.403 ( 4.205 -2.941 12.603) 13.608 11.192 ( -0.732 -0.032 5.530) 5.578 16.011 ( -24.205 12.313 -34.934) 44.248======================= Grid point 625 (184/328) =======================q-point: (-0.36 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.953 ( 11.454 -4.349 3.350) 12.702 8.191 ( 15.597 -12.877 23.685) 31.146 9.444 ( 11.636 -2.566 2.673) 12.212 10.409 ( 4.146 -4.379 3.045) 6.755 11.191 ( 6.221 -7.360 8.036) 12.548 16.088 ( -27.075 14.924 -29.869) 42.988======================= Grid point 626 (185/328) =======================q-point: (-0.32 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.748 ( 15.781 -8.271 0.692) 17.830 8.068 ( 19.763 -18.406 21.140) 34.297 9.317 ( 10.934 -1.349 1.548) 11.125 10.255 ( 6.384 -6.829 -8.970) 12.956 11.092 ( 11.075 -12.175 12.565) 20.707 16.284 ( -28.424 16.148 -22.639) 39.765======================= Grid point 627 (186/328) =======================q-point: (-0.27 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.429 ( 19.866 -11.681 -0.837) 23.061 7.799 ( 23.473 -23.423 16.509) 37.043 9.201 ( 9.936 -0.159 0.599) 9.955 9.909 ( 11.998 -11.305 -14.247) 21.789 10.961 ( 11.985 -12.955 12.566) 21.665 16.578 ( -28.202 15.621 -14.485) 35.344======================= Grid point 628 (187/328) =======================q-point: (-0.23 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.021 ( 23.444 -14.386 -1.111) 27.529 7.372 ( 26.545 -27.316 8.967) 39.131 9.103 ( 8.840 1.116 -0.001) 8.911 9.431 ( 18.890 -16.101 -10.022) 26.768 10.805 ( 11.052 -11.769 7.323) 17.728 16.941 ( -26.933 13.777 -6.627) 30.969======================= Grid point 629 (188/328) =======================q-point: (-0.18 0.23 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.553 ( 26.442 -16.254 -0.000) 31.039 6.781 ( 29.078 -29.434 -0.000) 41.375 8.888 ( 23.929 -21.093 -0.000) 31.898 9.051 ( 9.144 3.233 0.000) 9.699 10.603 ( 9.874 -10.167 -0.000) 14.172 17.344 ( -25.179 11.249 0.000) 27.578======================= Grid point 640 (189/328) =======================q-point: ( 0.32 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.688 ( -0.000 2.818 29.722) 29.855 5.802 ( -0.000 12.583 28.682) 31.321 8.523 ( -0.000 7.266 40.797) 41.439 10.131 ( 0.000 -10.812 8.408) 13.697 10.300 ( -0.000 3.303 7.155) 7.880 16.527 ( 0.000 5.746 -35.140) 35.606======================= Grid point 641 (190/328) =======================q-point: ( 0.36 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.058 ( -0.249 4.843 26.716) 27.153 6.312 ( -4.894 16.495 26.734) 31.792 9.058 ( -3.716 7.773 33.789) 34.871 10.109 ( -1.460 -12.384 9.824) 15.875 10.399 ( 5.434 5.114 7.609) 10.657 16.217 ( -3.657 6.541 -35.573) 36.353======================= Grid point 642 (191/328) =======================q-point: ( 0.41 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.402 ( 0.715 6.338 22.816) 23.691 6.883 ( -7.877 17.241 26.139) 32.288 9.541 ( -6.119 7.437 25.579) 27.332 10.107 ( -1.680 -12.064 10.682) 16.201 10.480 ( 8.198 6.618 9.549) 14.219 15.944 ( -7.054 6.396 -36.319) 37.547======================= Grid point 643 (192/328) =======================q-point: ( 0.45 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.700 ( 1.719 6.801 18.785) 20.052 7.456 ( -7.577 14.932 26.055) 30.971 9.937 ( -6.667 6.024 17.303) 19.497 10.102 ( 1.299 -9.815 9.254) 13.552 10.605 ( 6.104 7.084 13.952) 16.796 15.693 ( -10.244 6.114 -37.566) 39.415======================= Grid point 644 (193/328) =======================q-point: ( 0.50 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.940 ( 2.862 6.170 14.801) 16.289 7.967 ( -4.486 10.053 26.074) 28.302 10.048 ( 6.708 -7.693 7.596) 12.723 10.224 ( -5.863 4.518 9.239) 11.838 10.829 ( 1.228 6.435 18.766) 19.876 15.463 ( -13.624 6.581 -39.140) 41.963======================= Grid point 645 (194/328) =======================q-point: ( 0.55 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.107 ( 4.451 4.455 10.924) 12.609 8.368 ( 0.251 3.629 26.072) 26.324 9.946 ( 10.557 -5.666 5.272) 13.090 10.391 ( -4.538 2.514 2.800) 5.896 11.126 ( -0.464 3.753 22.587) 22.901 15.273 ( -17.790 8.670 -40.190) 44.798======================= Grid point 646 (195/328) =======================q-point: ( 0.59 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.183 ( 6.773 1.723 7.263) 10.079 8.634 ( 5.545 -3.284 25.987) 26.774 9.806 ( 12.586 -4.388 3.700) 13.833 10.446 ( -3.402 1.069 -4.759) 5.946 11.404 ( 2.608 -2.003 25.139) 25.353 15.173 ( -23.053 12.779 -38.741) 46.857======================= Grid point 647 (196/328) =======================q-point: (-0.36 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.153 ( 9.909 -1.780 4.047) 10.850 8.755 ( 10.878 -10.161 25.052) 29.140 9.649 ( 13.067 -3.462 2.465) 13.741 10.384 ( -1.602 -0.413 -11.684) 11.800 11.563 ( 8.002 -9.072 23.562) 26.486 15.230 ( -28.315 17.610 -32.360) 46.465======================= Grid point 648 (197/328) =======================q-point: (-0.32 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.009 ( 13.588 -5.586 1.598) 14.778 8.715 ( 15.995 -16.754 21.145) 31.363 9.490 ( 12.441 -2.656 1.374) 12.796 10.215 ( 1.641 -2.575 -14.521) 14.839 11.547 ( 11.944 -13.825 17.091) 25.018 15.482 ( -31.284 20.353 -21.422) 43.033======================= Grid point 649 (198/328) =======================q-point: (-0.27 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.758 ( 17.312 -9.175 0.195) 19.594 8.477 ( 20.353 -22.334 12.000) 32.512 9.340 ( 11.325 -1.720 0.508) 11.466 9.975 ( 6.684 -6.045 -10.039) 13.491 11.383 ( 12.945 -14.842 8.448) 21.429 15.896 ( -31.273 19.869 -9.668) 38.292======================= Grid point 650 (199/328) =======================q-point: (-0.23 0.27 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.419 ( 20.662 -12.183 -0.000) 23.986 8.018 ( 23.695 -25.851 -0.000) 35.067 9.208 ( 10.156 -0.446 -0.000) 10.165 9.708 ( 12.873 -10.962 -0.000) 16.908 11.124 ( 12.173 -13.588 -0.000) 18.243 16.402 ( -29.443 17.248 0.000) 34.123======================= Grid point 663 (200/328) =======================q-point: ( 0.36 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.300 ( -0.000 4.014 24.070) 24.402 6.393 ( -0.000 12.040 23.189) 26.128 9.356 ( -0.000 3.453 32.268) 32.452 10.320 ( -0.000 -7.987 8.094) 11.371 10.458 ( -0.000 3.695 6.606) 7.569 15.736 ( 0.000 4.618 -33.810) 34.124======================= Grid point 664 (201/328) =======================q-point: ( 0.41 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.599 ( 2.517 6.119 20.862) 21.886 6.859 ( -8.502 16.093 21.274) 27.997 9.734 ( -1.720 2.977 25.421) 25.652 10.328 ( -0.390 -8.550 9.293) 12.634 10.569 ( 2.786 5.592 7.353) 9.649 15.424 ( -2.896 4.566 -33.552) 33.985======================= Grid point 665 (202/328) =======================q-point: ( 0.45 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.857 ( 3.503 7.048 17.156) 18.875 7.413 ( -12.433 17.660 20.401) 29.710 10.033 ( -2.777 1.940 17.407) 17.734 10.332 ( 2.920 -7.170 8.908) 11.802 10.717 ( 1.000 6.574 11.443) 13.234 15.134 ( -5.405 3.729 -34.257) 34.880======================= Grid point 666 (203/328) =======================q-point: ( 0.50 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.068 ( 4.167 6.904 13.471) 15.700 7.984 ( -12.481 16.118 20.198) 28.697 10.225 ( -2.330 -0.727 7.903) 8.271 10.298 ( 6.972 -3.791 7.928) 11.217 10.972 ( -2.887 6.687 18.418) 19.806 14.849 ( -7.895 3.189 -36.099) 37.090======================= Grid point 667 (204/328) =======================q-point: ( 0.55 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.222 ( 5.022 5.799 9.900) 12.524 8.504 ( -9.335 11.665 20.860) 25.659 10.180 ( 10.156 -4.556 4.308) 11.936 10.336 ( -1.730 0.046 0.812) 1.912 11.344 ( -4.763 5.593 26.106) 27.120 14.572 ( -11.368 4.356 -38.805) 40.670======================= Grid point 668 (205/328) =======================q-point: ( 0.59 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.306 ( 6.388 3.769 6.550) 9.895 8.924 ( -3.946 5.045 22.639) 23.527 10.039 ( 12.966 -3.963 3.035) 13.894 10.311 ( -2.099 -0.711 -8.396) 8.684 11.763 ( -1.871 0.716 32.009) 32.072 14.352 ( -17.674 9.218 -40.410) 45.059======================= Grid point 669 (206/328) =======================q-point: (-0.36 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.307 ( 8.469 0.918 3.604) 9.250 9.210 ( 3.317 -3.629 24.597) 25.083 9.870 ( 13.978 -3.599 1.872) 14.555 10.186 ( -2.498 -0.140 -16.406) 16.596 12.056 ( 6.455 -8.952 29.022) 31.050 14.326 ( -27.371 18.244 -33.880) 47.222======================= Grid point 670 (207/328) =======================q-point: (-0.32 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.214 ( 11.223 -2.480 1.329) 11.571 9.282 ( 12.188 -14.316 18.851) 26.624 9.686 ( 13.599 -3.404 0.642) 14.033 10.036 ( -3.192 2.341 -15.216) 15.722 12.042 ( 12.925 -16.028 14.022) 24.911 14.640 ( -33.694 24.160 -16.060) 44.463======================= Grid point 671 (208/328) =======================q-point: (-0.27 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.027 ( 14.320 -5.993 -0.000) 15.523 9.014 ( 17.413 -20.343 -0.000) 26.778 9.505 ( 12.471 -2.790 -0.000) 12.779 9.986 ( 0.613 -0.078 -0.000) 0.618 11.770 ( 13.931 -16.691 -0.000) 21.741 15.217 ( -33.723 23.413 0.000) 41.053======================= Grid point 686 (209/328) =======================q-point: ( 0.41 0.36 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.781 ( -0.000 5.165 18.176) 18.895 6.856 ( -0.000 11.673 17.454) 20.997 9.985 ( -0.000 0.460 22.920) 22.924 10.497 ( -0.000 -4.465 7.473) 8.705 10.597 ( -0.000 4.073 5.522) 6.862 15.014 ( 0.000 2.209 -29.101) 29.185======================= Grid point 687 (210/328) =======================q-point: ( 0.45 0.36 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.006 ( 4.729 7.150 14.891) 17.183 7.277 ( -11.494 16.144 15.446) 25.126 10.208 ( -0.280 -1.060 16.298) 16.335 10.525 ( 3.658 -3.339 7.710) 9.164 10.737 ( -3.253 6.031 7.474) 10.140 14.716 ( -1.350 0.736 -28.048) 28.091======================= Grid point 688 (211/328) =======================q-point: ( 0.50 0.36 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.182 ( 5.383 7.520 11.434) 14.706 7.807 ( -16.081 18.729 14.086) 28.422 10.334 ( 0.022 -3.052 9.539) 10.016 10.502 ( 8.593 -1.876 5.840) 10.557 11.001 ( -8.723 8.238 13.085) 17.753 14.413 ( -2.007 -1.311 -28.465) 28.565======================= Grid point 689 (212/328) =======================q-point: ( 0.55 0.36 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.313 ( 5.733 6.948 8.087) 12.106 8.367 ( -17.049 18.425 13.275) 28.396 10.349 ( 2.941 -4.969 3.718) 6.868 10.426 ( 10.027 -1.705 3.223) 10.669 11.422 ( -13.010 10.624 20.168) 26.246 14.080 ( -2.593 -2.746 -30.615) 30.847======================= Grid point 690 (213/328) =======================q-point: ( 0.59 0.36 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.391 ( 6.312 5.565 4.949) 9.762 8.899 ( -15.289 15.700 13.205) 25.586 10.247 ( 9.216 -4.743 1.251) 10.440 10.302 ( 7.511 -4.434 -2.348) 9.033 11.983 ( -14.024 10.307 29.031) 33.848 13.721 ( -5.177 -1.335 -35.147) 35.551======================= Grid point 691 (214/328) =======================q-point: (-0.36 0.36 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.405 ( 7.379 3.422 2.178) 8.420 9.364 ( -11.887 11.564 13.919) 21.651 10.070 ( 7.129 -7.469 -6.183) 12.035 10.093 ( 12.867 -4.514 -2.350) 13.837 12.536 ( -1.124 -3.225 34.540) 34.709 13.456 ( -20.058 12.711 -37.172) 44.110======================= Grid point 693 (215/328) =======================q-point: (-0.32 0.36 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.348 ( 9.050 0.650 -0.000) 9.074 9.740 ( 11.645 -14.784 -0.000) 18.820 9.745 ( -10.446 9.886 0.000) 14.383 9.892 ( 14.035 -3.061 -0.000) 14.365 12.486 ( 13.667 -17.760 -0.000) 22.411 13.843 ( -35.222 26.922 0.000) 44.333======================= Grid point 710 (216/328) =======================q-point: ( 0.45 0.41 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.126 ( -0.000 6.138 12.162) 13.623 7.187 ( -0.000 11.424 11.632) 16.304 10.399 ( -0.000 -2.023 13.567) 13.717 10.656 ( -0.000 -0.072 6.255) 6.255 10.706 ( -0.000 4.393 3.975) 5.924 14.437 ( 0.000 -1.280 -21.116) 21.155======================= Grid point 711 (217/328) =======================q-point: ( 0.50 0.41 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.277 ( 6.206 7.839 8.916) 13.397 7.560 ( -13.594 16.433 9.381) 23.299 10.487 ( 0.763 -3.820 8.713) 9.544 10.664 ( 8.603 1.006 4.306) 9.673 10.903 ( -10.688 7.780 6.624) 14.786 14.175 ( 0.861 -4.370 -18.914) 19.431======================= Grid point 712 (218/328) =======================q-point: ( 0.55 0.41 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.377 ( 6.471 7.790 5.711) 11.626 8.050 ( -18.580 19.854 7.256) 28.143 10.491 ( 2.567 -5.663 4.536) 7.697 10.594 ( 11.277 0.119 2.288) 11.508 11.273 ( -17.265 13.169 9.734) 23.796 13.878 ( 2.927 -7.964 -17.449) 19.402======================= Grid point 713 (219/328) =======================q-point: ( 0.59 0.41 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.436 ( 6.506 6.967 2.694) 9.906 8.576 ( -20.248 20.553 4.755) 29.241 10.404 ( 4.912 -7.736 1.151) 9.235 10.464 ( 13.009 -1.319 0.596) 13.089 11.815 ( -24.085 18.944 11.555) 32.749 13.529 ( 6.176 -11.734 -15.042) 20.052======================= Grid point 714 (220/328) =======================q-point: (-0.36 -0.59 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.447 ( 6.744 5.487 0.000) 8.694 9.060 ( -19.099 18.846 0.000) 26.831 10.234 ( 7.097 -10.293 -0.000) 12.502 10.290 ( 14.234 -2.362 -0.000) 14.428 12.477 ( -31.057 24.718 0.000) 39.693 13.157 ( 10.797 -15.942 -0.000) 19.254======================= Grid point 735 (221/328) =======================q-point: ( 0.50 0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.334 ( -0.000 6.804 6.094) 9.134 7.385 ( -0.000 11.277 5.808) 12.684 10.620 ( -0.000 -3.144 6.335) 7.072 10.767 ( -0.000 3.401 3.167) 4.647 10.775 ( -0.000 4.607 2.081) 5.055 14.070 ( 0.000 -4.717 -10.907) 11.883======================= Grid point 736 (222/328) =======================q-point: ( 0.55 0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.412 ( 6.936 8.181 2.968) 11.128 7.703 ( -14.682 16.685 3.150) 22.447 10.621 ( 1.584 -4.775 3.038) 5.877 10.723 ( 10.426 2.395 1.111) 10.755 11.012 ( -14.799 10.458 2.561) 18.301 13.879 ( 2.760 -8.494 -6.723) 11.179======================= Grid point 737 (223/328) =======================q-point: (-0.41 -0.55 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.442 ( 6.828 7.879 0.000) 10.426 8.134 ( -19.501 20.347 0.000) 28.183 10.544 ( 3.373 -6.615 -0.000) 7.426 10.616 ( 12.233 0.620 -0.000) 12.248 11.393 ( -21.418 16.550 0.000) 27.067 13.670 ( 5.949 -11.796 -0.000) 13.212======================= Grid point 760 (224/328) =======================q-point: (-0.45 -0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1463Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.404 ( -0.000 7.044 0.000) 7.044 7.451 ( -0.000 11.227 0.000) 11.227 10.694 ( 0.000 -3.274 0.000) 3.274 10.799 ( -0.000 4.683 0.000) 4.683 10.800 ( -0.000 4.623 0.000) 4.623 13.946 ( 0.000 -6.200 0.000) 6.200======================= Grid point 1096 (225/328) =======================q-point: ( 0.27 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.204 ( -0.000 8.562 37.587) 38.550 4.742 ( -0.000 25.317 35.626) 43.705 6.887 ( -0.000 28.289 46.027) 54.026 9.367 ( 0.000 -17.185 7.808) 18.876 10.067 ( -0.000 5.048 7.003) 8.633 18.126 ( 0.000 1.954 -26.880) 26.951======================= Grid point 1097 (226/328) =======================q-point: ( 0.32 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.748 ( -3.839 10.238 34.579) 36.266 5.410 ( 4.104 26.635 33.449) 42.954 7.747 ( -10.565 26.360 38.942) 48.197 9.283 ( -0.974 -15.085 9.048) 17.617 10.175 ( 7.350 6.515 7.881) 12.593 17.849 ( -3.863 0.446 -27.943) 28.212======================= Grid point 1098 (227/328) =======================q-point: ( 0.36 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5328Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.295 ( -5.270 10.608 30.986) 33.173 6.010 ( 7.734 25.495 31.711) 41.418 8.589 ( -16.761 23.347 30.407) 41.840 9.256 ( -2.246 -12.193 10.725) 16.393 10.235 ( 13.054 7.983 8.983) 17.743 17.591 ( -8.083 -1.029 -28.645) 29.781======================= Grid point 1099 (228/328) =======================q-point: ( 0.41 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.802 ( -4.895 10.108 26.822) 29.078 6.532 ( 10.251 22.281 30.023) 38.767 9.189 ( -4.095 -0.841 13.444) 14.079 9.430 ( -16.033 10.010 19.725) 27.319 10.280 ( 15.273 9.950 10.782) 21.178 17.360 ( -12.335 -2.173 -29.144) 31.721======================= Grid point 1100 (229/328) =======================q-point: ( 0.45 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5328Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.237 ( -3.210 8.883 22.172) 24.100 6.963 ( 11.974 17.586 27.975) 35.147 9.272 ( -0.328 -7.027 11.873) 13.800 9.896 ( -2.180 9.678 11.798) 15.414 10.438 ( 1.443 14.394 13.966) 20.108 17.162 ( -16.453 -2.760 -29.436) 33.835======================= Grid point 1101 (230/328) =======================q-point: ( 0.50 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.574 ( -0.535 6.807 17.201) 18.506 7.291 ( 13.590 12.015 25.288) 31.121 9.330 ( 1.221 -5.832 12.004) 13.401 9.996 ( 15.353 5.746 9.781) 19.090 10.825 ( -11.820 12.904 9.580) 19.950 17.005 ( -20.329 -2.588 -29.320) 35.772======================= Grid point 1102 (231/328) =======================q-point: ( 0.55 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5328Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.788 ( 2.992 3.760 12.135) 13.052 7.497 ( 15.724 6.056 22.010) 27.720 9.379 ( 3.759 -3.542 10.728) 11.906 9.974 ( 18.126 3.426 12.101) 22.062 11.139 ( -10.267 6.995 2.276) 12.631 16.903 ( -23.805 -1.586 -28.462) 37.139======================= Grid point 1103 (232/328) =======================q-point: (-0.41 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2673Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.863 ( 7.286 0.000 7.286) 10.304 7.568 ( 18.621 -0.000 18.621) 26.334 9.400 ( 7.459 0.000 7.459) 10.549 9.957 ( 15.804 -0.000 15.804) 22.350 11.252 ( -4.700 0.000 -4.700) 6.646 16.867 ( -26.610 0.000 -26.610) 37.633======================= Grid point 1120 (233/328) =======================q-point: ( 0.32 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.035 ( -0.000 6.016 35.007) 35.520 5.518 ( -0.000 23.316 32.319) 39.852 7.884 ( -0.000 19.963 41.249) 45.826 9.576 ( 0.000 -17.042 10.269) 19.897 10.235 ( -0.000 5.702 7.667) 9.555 17.449 ( 0.000 4.923 -32.309) 32.682======================= Grid point 1121 (234/328) =======================q-point: ( 0.36 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.511 ( -2.409 7.458 32.085) 33.028 6.135 ( 2.413 24.731 30.120) 39.046 8.576 ( -7.751 18.226 33.688) 39.079 9.524 ( -1.190 -15.065 11.771) 19.155 10.361 ( 6.837 7.378 8.388) 13.097 17.148 ( -4.437 3.496 -33.290) 33.766======================= Grid point 1122 (235/328) =======================q-point: ( 0.41 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.973 ( -2.480 7.996 28.228) 29.444 6.703 ( 4.948 22.942 28.939) 37.259 9.214 ( -11.034 14.056 24.603) 30.408 9.538 ( -3.551 -10.769 13.545) 17.665 10.447 ( 11.883 9.024 9.589) 17.737 16.873 ( -9.241 1.919 -34.134) 35.415======================= Grid point 1123 (236/328) =======================q-point: ( 0.45 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.381 ( -1.059 7.822 23.705) 24.985 7.195 ( 7.305 18.477 28.042) 34.367 9.512 ( -0.718 -8.180 15.216) 17.290 9.827 ( -12.353 10.010 14.672) 21.635 10.536 ( 11.956 10.914 11.568) 19.897 16.628 ( -14.094 0.739 -34.896) 37.642======================= Grid point 1124 (237/328) =======================q-point: ( 0.50 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.707 ( 1.208 6.781 18.882) 20.099 7.587 ( 9.608 12.411 26.666) 30.942 9.578 ( 1.472 -8.201 14.410) 16.645 10.137 ( 0.592 7.021 9.608) 11.915 10.725 ( 0.797 12.109 11.427) 16.668 16.421 ( -18.849 0.440 -35.363) 40.075======================= Grid point 1125 (238/328) =======================q-point: ( 0.55 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.931 ( 4.090 4.681 14.054) 15.368 7.860 ( 12.089 5.764 24.619) 28.026 9.615 ( 5.136 -5.663 12.146) 14.352 10.242 ( 9.601 3.457 11.441) 15.331 10.990 ( -5.910 8.741 5.984) 12.130 16.269 ( -23.385 1.366 -35.019) 42.131======================= Grid point 1126 (239/328) =======================q-point: ( 0.59 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.035 ( 7.636 1.615 9.464) 12.267 8.002 ( 14.900 -0.854 22.315) 26.846 9.603 ( 9.726 -2.172 8.347) 13.000 10.292 ( 9.897 -0.382 14.145) 17.267 11.152 ( -3.748 2.579 0.655) 4.597 16.195 ( -27.414 3.411 -33.209) 43.197======================= Grid point 1127 (240/328) =======================q-point: (-0.36 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.007 ( 11.853 -1.932 5.364) 13.153 8.010 ( 18.015 -7.292 20.192) 28.026 9.540 ( 12.907 0.900 4.856) 13.820 10.324 ( 8.000 -3.684 12.742) 15.490 11.143 ( 2.017 -4.468 -1.854) 5.242 16.219 ( -30.417 5.775 -29.564) 42.809======================= Grid point 1128 (241/328) =======================q-point: (-0.32 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.845 ( 16.490 -5.304 2.002) 17.437 7.886 ( 21.181 -13.596 18.161) 31.037 9.449 ( 13.888 3.017 2.418) 14.416 10.287 ( 7.017 -6.110 3.623) 9.985 10.987 ( 8.478 -10.477 1.947) 13.617 16.343 ( -31.990 7.341 -24.330) 40.856======================= Grid point 1129 (242/328) =======================q-point: (-0.27 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.563 ( 21.118 -8.064 -0.425) 22.609 7.632 ( 24.015 -19.558 15.577) 34.668 9.354 ( 13.509 4.570 0.824) 14.285 10.065 ( 10.339 -9.740 -10.374) 17.589 10.807 ( 11.559 -12.590 10.934) 20.289 16.553 ( -32.231 7.487 -18.144) 37.737======================= Grid point 1130 (243/328) =======================q-point: (-0.23 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.180 ( 25.377 -10.091 -1.745) 27.366 7.249 ( 26.341 -24.558 11.622) 37.842 9.266 ( 12.797 5.450 -0.199) 13.910 9.617 ( 17.767 -13.587 -14.418) 26.611 10.681 ( 10.741 -11.466 12.147) 19.859 16.827 ( -31.602 6.311 -11.649) 34.267======================= Grid point 1131 (244/328) =======================q-point: (-0.18 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.726 ( 29.075 -11.332 -1.720) 31.252 6.740 ( 28.402 -27.742 6.049) 40.160 8.998 ( 24.861 -17.547 -8.101) 31.490 9.250 ( 12.600 7.749 -1.730) 14.893 10.557 ( 9.518 -9.840 7.094) 15.419 17.145 ( -30.559 4.273 -5.406) 31.326======================= Grid point 1132 (245/328) =======================q-point: (-0.14 0.23 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.234 ( 32.144 -11.539 -0.000) 34.153 6.116 ( 30.690 -28.437 -0.000) 41.839 8.378 ( 33.037 -22.764 -0.000) 40.120 9.232 ( 10.366 12.143 0.000) 15.966 10.394 ( 8.571 -8.159 -0.000) 11.834 17.491 ( -29.342 1.874 0.000) 29.402======================= Grid point 1143 (246/328) =======================q-point: ( 0.36 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.784 ( -0.000 5.687 30.687) 31.210 6.204 ( -0.000 22.015 27.790) 35.453 8.754 ( -0.000 12.524 35.009) 37.181 9.823 ( 0.000 -14.974 11.284) 18.749 10.412 ( -0.000 6.460 7.743) 10.084 16.674 ( 0.000 6.076 -35.412) 35.930======================= Grid point 1144 (247/328) =======================q-point: ( 0.41 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.194 ( -0.248 6.951 27.720) 28.579 6.772 ( -0.629 23.281 25.712) 34.692 9.273 ( -5.064 10.732 27.511) 29.961 9.807 ( -1.171 -13.188 12.889) 18.477 10.552 ( 5.869 8.329 8.355) 13.176 16.352 ( -4.638 4.454 -36.265) 36.831======================= Grid point 1145 (248/328) =======================q-point: ( 0.45 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5328Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.566 ( 1.251 7.612 23.632) 24.859 7.319 ( 0.006 20.764 25.100) 32.576 9.718 ( -6.150 5.792 19.882) 21.602 9.848 ( -3.194 -8.036 13.223) 15.800 10.669 ( 9.437 9.870 9.955) 16.899 16.056 ( -9.658 2.747 -37.293) 38.621======================= Grid point 1146 (249/328) =======================q-point: ( 0.50 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.870 ( 3.324 7.435 19.092) 20.757 7.799 ( 2.269 15.231 24.940) 29.311 9.867 ( 2.112 -8.711 15.280) 17.715 10.100 ( -8.563 6.467 9.555) 14.368 10.807 ( 8.406 10.357 12.614) 18.359 15.789 ( -14.872 1.801 -38.390) 41.210======================= Grid point 1147 (250/328) =======================q-point: ( 0.55 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5328Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.089 ( 5.630 6.166 14.560) 16.784 8.170 ( 5.601 8.069 24.525) 26.419 9.890 ( 6.818 -5.907 12.179) 15.157 10.318 ( -4.898 3.784 5.325) 8.165 11.001 ( 3.997 8.225 14.504) 17.146 15.570 ( -20.280 2.419 -38.992) 44.017======================= Grid point 1148 (251/328) =======================q-point: ( 0.59 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.209 ( 8.325 3.816 10.270) 13.760 8.410 ( 9.242 0.550 23.794) 25.531 9.851 ( 11.920 -2.667 8.299) 14.767 10.429 ( -2.769 0.916 1.985) 3.528 11.202 ( 3.010 2.645 15.598) 16.105 15.433 ( -25.798 5.014 -37.919) 46.136======================= Grid point 1149 (252/328) =======================q-point: (-0.36 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5328Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.216 ( 11.619 0.676 6.421) 13.292 8.514 ( 12.852 -6.724 22.718) 26.954 9.754 ( 15.081 -0.288 5.072) 15.913 10.444 ( -1.551 -1.260 -3.825) 4.315 11.324 ( 6.141 -4.950 16.711) 18.479 15.423 ( -30.746 8.836 -33.742) 46.496======================= Grid point 1150 (253/328) =======================q-point: (-0.32 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.105 ( 15.465 -2.749 3.244) 16.039 8.479 ( 16.370 -13.726 20.582) 29.664 9.626 ( 15.940 1.257 2.717) 16.218 10.342 ( 1.027 -3.299 -10.226) 10.794 11.328 ( 9.782 -11.283 16.341) 22.136 15.569 ( -33.909 11.831 -26.170) 44.437======================= Grid point 1151 (254/328) =======================q-point: (-0.27 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5328Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.879 ( 19.499 -5.953 0.980) 20.411 8.291 ( 19.627 -20.267 16.023) 32.445 9.490 ( 15.284 2.531 1.119) 15.532 10.115 ( 6.058 -6.043 -12.666) 15.286 11.228 ( 11.369 -13.943 13.091) 22.249 15.857 ( -34.771 12.411 -16.790) 40.558======================= Grid point 1152 (255/328) =======================q-point: (-0.23 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.556 ( 23.274 -8.608 -0.166) 24.815 7.931 ( 22.466 -25.373 8.476) 34.933 9.366 ( 14.111 3.955 0.265) 14.657 9.793 ( 12.840 -9.570 -8.636) 18.194 11.058 ( 11.099 -13.518 7.169) 18.903 16.244 ( -33.959 10.704 -7.634) 36.415======================= Grid point 1153 (256/328) =======================q-point: (-0.18 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.160 ( 26.501 -10.502 -0.000) 28.506 7.402 ( 25.246 -27.916 -0.000) 37.638 9.263 ( 13.539 4.060 0.000) 14.135 9.430 ( 19.133 -11.929 -0.000) 22.547 10.833 ( 10.243 -11.787 -0.000) 15.616 16.686 ( -32.372 7.692 0.000) 33.273======================= Grid point 1166 (257/328) =======================q-point: ( 0.41 0.32 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.424 ( -0.000 6.552 25.413) 26.244 6.778 ( -0.000 21.104 22.571) 30.900 9.468 ( -0.000 6.212 27.614) 28.304 10.085 ( -0.000 -11.751 11.780) 16.639 10.583 ( -0.000 7.273 7.207) 10.239 15.858 ( 0.000 5.237 -35.788) 36.169======================= Grid point 1167 (258/328) =======================q-point: ( 0.45 0.32 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.765 ( 2.711 7.834 22.266) 23.759 7.301 ( -4.751 22.162 20.696) 30.693 9.818 ( -2.980 4.344 20.049) 20.730 10.109 ( -0.031 -10.035 13.883) 17.130 10.738 ( 3.779 9.227 7.954) 12.754 15.519 ( -4.273 3.107 -36.433) 36.814======================= Grid point 1168 (259/328) =======================q-point: ( 0.50 0.32 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.042 ( 5.310 8.445 18.100) 20.667 7.839 ( -6.067 19.399 20.476) 28.852 10.081 ( -5.184 1.912 10.624) 11.975 10.163 ( 2.997 -6.986 15.387) 17.162 10.907 ( 4.166 10.043 11.316) 15.693 15.197 ( -8.935 1.251 -37.682) 38.747======================= Grid point 1169 (260/328) =======================q-point: ( 0.55 0.32 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.245 ( 7.339 7.914 13.849) 17.558 8.324 ( -3.841 13.626 21.085) 25.397 10.160 ( 6.164 -3.779 9.127) 11.644 10.271 ( -3.714 0.256 5.951) 7.020 11.144 ( 1.726 8.351 17.846) 19.779 14.900 ( -14.179 0.945 -39.311) 41.801======================= Grid point 1170 (261/328) =======================q-point: ( 0.59 0.32 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.367 ( 9.267 6.231 9.834) 14.880 8.703 ( 0.551 5.906 22.277) 23.053 10.110 ( 12.982 -1.633 7.026) 14.852 10.335 ( -5.304 -0.146 -3.894) 6.582 11.445 ( 0.995 3.291 24.642) 24.880 14.665 ( -20.640 3.587 -40.115) 45.255======================= Grid point 1171 (262/328) =======================q-point: (-0.36 0.32 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.397 ( 11.523 3.599 6.226) 13.583 8.946 ( 5.811 -2.810 23.311) 24.188 9.995 ( 16.758 -0.114 4.550) 17.365 10.302 ( -5.246 -0.253 -11.873) 12.983 11.708 ( 4.598 -5.133 26.750) 27.624 14.573 ( -28.453 9.633 -36.724) 47.445======================= Grid point 1173 (263/328) =======================q-point: (-0.32 0.32 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.326 ( 14.299 0.366 3.228) 14.664 9.025 ( 11.155 -11.965 21.439) 26.967 9.837 ( 17.836 0.541 2.198) 17.979 10.192 ( -3.510 0.243 -15.221) 15.623 11.795 ( 9.548 -13.302 20.430) 26.182 14.721 ( -34.894 15.677 -25.827) 46.156======================= Grid point 1174 (264/328) =======================q-point: (-0.27 0.32 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.154 ( 17.444 -3.020 1.080) 17.737 8.887 ( 15.640 -19.947 12.519) 28.270 9.662 ( 16.878 1.233 0.515) 16.931 10.059 ( 0.810 -0.489 -10.075) 10.119 11.667 ( 11.787 -16.557 9.618) 22.485 15.114 ( -37.004 17.178 -11.599) 42.413======================= Grid point 1175 (265/328) =======================q-point: (-0.23 0.32 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.890 ( 20.563 -6.129 -0.000) 21.457 8.505 ( 18.998 -24.238 -0.000) 30.796 9.501 ( 15.485 2.366 -0.000) 15.665 9.933 ( 6.866 -4.339 -0.000) 8.122 11.398 ( 11.748 -15.733 -0.000) 19.635 15.653 ( -36.042 14.759 0.000) 38.946======================= Grid point 1190 (266/328) =======================q-point: ( 0.45 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.937 ( -0.000 7.983 19.567) 21.133 7.229 ( -0.000 20.430 17.012) 26.586 10.000 ( -0.000 0.795 18.932) 18.949 10.362 ( -0.000 -7.041 12.586) 14.422 10.735 ( -0.000 8.064 6.071) 10.093 15.070 ( 0.000 2.185 -32.905) 32.978======================= Grid point 1191 (267/328) =======================q-point: ( 0.50 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.203 ( 6.075 9.358 16.197) 19.668 7.711 ( -9.351 21.436 15.309) 27.952 10.176 ( -1.193 -1.736 11.761) 11.948 10.436 ( 3.739 -4.351 14.076) 15.200 10.917 ( -1.602 9.835 7.961) 12.755 14.720 ( -3.046 -0.746 -33.144) 33.292======================= Grid point 1192 (268/328) =======================q-point: ( 0.55 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5328Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.387 ( 8.835 9.619 12.178) 17.857 8.245 ( -12.197 19.338 15.068) 27.382 10.256 ( -1.100 -3.612 5.340) 6.540 10.466 ( 10.122 -1.578 10.336) 14.553 11.206 ( -6.801 9.842 15.259) 19.390 14.367 ( -6.305 -2.856 -34.567) 35.253======================= Grid point 1193 (269/328) =======================q-point: ( 0.59 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.498 ( 10.321 8.564 8.368) 15.808 8.750 ( -10.725 14.733 15.976) 24.234 10.241 ( 0.150 -4.539 -0.844) 4.619 10.402 ( 14.353 -0.354 5.007) 15.205 11.632 ( -9.384 7.612 24.692) 27.490 14.022 ( -10.889 -2.193 -37.299) 38.918======================= Grid point 1194 (270/328) =======================q-point: ( 0.64 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5328Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.535 ( 11.637 6.465 4.945) 14.201 9.175 ( -6.313 7.819 18.641) 21.177 10.132 ( -0.079 -4.814 -8.930) 10.145 10.253 ( 17.655 0.078 1.708) 17.738 12.095 ( -4.141 -0.793 31.639) 31.919 13.763 ( -20.542 5.198 -38.744) 44.159======================= Grid point 1195 (271/328) =======================q-point: (-0.32 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.491 ( 13.241 3.598 2.082) 13.878 9.466 ( 2.802 -4.767 22.091) 22.772 9.943 ( -3.266 -0.875 -18.781) 19.083 10.063 ( 19.080 0.930 1.446) 19.157 12.292 ( 8.417 -15.278 19.849) 26.424 13.847 ( -34.919 18.661 -22.800) 45.689======================= Grid point 1196 (272/328) =======================q-point: (-0.27 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.363 ( 15.241 0.303 -0.000) 15.244 9.357 ( 12.760 -18.931 -0.000) 22.829 9.843 ( 14.182 1.107 -0.000) 14.225 9.946 ( -1.069 5.354 0.000) 5.460 12.067 ( 12.001 -18.700 -0.000) 22.220 14.390 ( -38.413 20.860 0.000) 43.712======================= Grid point 1213 (273/328) =======================q-point: ( 0.50 0.41 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.312 ( -0.000 9.525 13.338) 16.390 7.551 ( -0.000 19.941 11.336) 22.938 10.335 ( -0.000 -3.512 10.975) 11.523 10.647 ( -0.000 -0.871 11.751) 11.784 10.855 ( -0.000 8.734 4.396) 9.778 14.390 ( 0.000 -2.998 -26.156) 26.327======================= Grid point 1214 (274/328) =======================q-point: ( 0.55 0.41 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.499 ( 9.052 10.851 9.810) 17.202 7.995 ( -13.466 21.198 9.540) 26.864 10.380 ( 0.573 -5.636 6.445) 8.581 10.701 ( 12.076 1.907 8.444) 14.858 11.110 ( -12.921 10.498 8.938) 18.896 14.046 ( -0.615 -6.950 -25.157) 26.107======================= Grid point 1215 (275/328) =======================q-point: ( 0.59 0.41 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.595 ( 11.176 10.539 6.112) 16.533 8.515 ( -17.242 20.418 8.326) 27.991 10.336 ( 2.053 -7.962 1.896) 8.438 10.628 ( 17.262 2.730 4.247) 17.985 11.576 ( -20.199 13.105 15.695) 28.741 13.669 ( -0.405 -10.087 -25.169) 27.118======================= Grid point 1216 (276/328) =======================q-point: ( 0.64 0.41 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.626 ( 11.896 8.982 2.797) 15.166 9.020 ( -17.243 18.095 6.742) 25.888 10.192 ( 4.345 -10.728 -2.037) 11.752 10.478 ( 19.598 2.315 1.647) 19.803 12.212 ( -24.479 14.553 23.020) 36.618 13.253 ( -0.197 -11.138 -27.110) 29.310======================= Grid point 1217 (277/328) =======================q-point: (-0.32 0.41 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.592 ( 12.458 6.574 0.000) 14.087 9.447 ( -15.266 15.090 0.000) 21.465 9.959 ( 7.600 -13.994 -0.000) 15.924 10.282 ( 20.033 1.507 -0.000) 20.090 12.756 ( 9.913 -19.026 -0.000) 21.454 13.021 ( -36.439 22.712 0.000) 42.938======================= Grid point 1236 (278/328) =======================q-point: ( 0.55 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.541 ( 0.000 10.746 6.786) 12.709 7.744 ( -0.000 19.637 5.656) 20.436 10.520 ( 0.000 -5.710 5.443) 7.889 10.865 ( 0.000 4.923 6.907) 8.482 10.932 ( -0.000 9.184 2.310) 9.471 13.913 ( -0.000 -8.964 -14.968) 17.447======================= Grid point 1237 (279/328) =======================q-point: ( 0.59 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.648 ( 10.790 11.751 3.282) 16.287 8.141 ( -15.944 21.272 3.271) 26.784 10.476 ( 1.587 -7.911 2.111) 8.340 10.819 ( 17.915 5.810 2.346) 18.979 11.284 ( -21.974 13.229 4.850) 26.103 13.630 ( 2.353 -13.276 -10.101) 16.847======================= Grid point 1238 (280/328) =======================q-point: (-0.36 -0.55 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.665 ( 11.991 10.879 0.000) 16.190 8.612 ( -19.346 21.174 0.000) 28.681 10.355 ( 3.517 -10.003 -0.000) 10.603 10.675 ( 19.562 4.276 -0.000) 20.024 11.792 ( -28.696 18.248 0.000) 34.007 13.346 ( 5.638 -16.506 -0.000) 17.442======================= Grid point 1261 (281/328) =======================q-point: (-0.41 -0.50 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1463Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.619 ( -0.000 11.220 0.000) 11.220 7.809 ( -0.000 19.533 0.000) 19.533 10.582 ( 0.000 -6.563 0.000) 6.563 10.945 ( -0.000 7.859 0.000) 7.859 10.959 ( -0.000 9.344 0.000) 9.344 13.738 ( 0.000 -11.921 0.000) 11.921======================= Grid point 1643 (282/328) =======================q-point: ( 0.41 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.945 ( -0.000 8.336 29.943) 31.081 6.770 ( -0.000 26.999 26.609) 37.907 9.068 ( -0.000 14.495 27.522) 31.106 9.504 ( -0.000 -12.018 13.192) 17.845 10.592 ( -0.000 9.338 8.761) 12.804 16.760 ( 0.000 0.803 -34.532) 34.541======================= Grid point 1644 (283/328) =======================q-point: ( 0.45 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.366 ( -0.311 8.018 26.848) 28.022 7.341 ( 4.173 26.044 24.253) 35.832 9.485 ( -2.017 0.105 18.587) 18.696 9.587 ( -5.333 1.745 16.118) 17.067 10.775 ( 6.418 11.217 9.525) 16.054 16.386 ( -5.973 -1.998 -35.743) 36.294======================= Grid point 1645 (284/328) =======================q-point: ( 0.50 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.733 ( 0.916 6.931 22.929) 23.971 7.808 ( 8.791 21.771 22.708) 32.664 9.602 ( 0.653 -7.188 16.475) 17.986 9.950 ( -11.113 8.182 11.447) 17.929 10.925 ( 10.785 12.483 10.630) 19.625 16.044 ( -12.911 -4.136 -36.806) 39.223======================= Grid point 1646 (285/328) =======================q-point: ( 0.55 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.016 ( 3.177 5.195 18.511) 19.487 8.147 ( 12.703 15.166 21.238) 29.024 9.702 ( 2.631 -5.429 16.701) 17.757 10.240 ( -9.193 5.499 4.916) 11.786 11.062 ( 11.153 11.758 11.196) 19.697 15.758 ( -20.241 -4.754 -37.228) 42.640======================= Grid point 1647 (286/328) =======================q-point: ( 0.59 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.195 ( 6.187 2.818 14.019) 15.581 8.347 ( 15.530 7.629 19.517) 26.082 9.787 ( 6.271 -3.076 15.037) 16.580 10.395 ( -3.642 2.869 1.638) 4.917 11.183 ( 8.870 7.352 9.984) 15.245 15.562 ( -27.225 -3.240 -36.169) 45.386======================= Grid point 1648 (287/328) =======================q-point: (-0.36 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2673Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.256 ( 9.834 0.000 9.834) 13.907 8.413 ( 17.645 0.000 17.645) 24.954 9.821 ( 11.038 0.000 11.038) 15.610 10.439 ( 0.030 0.000 0.030) 0.042 11.234 ( 8.354 0.000 8.354) 11.815 15.491 ( -32.835 0.000 -32.834) 46.435======================= Grid point 1667 (288/328) =======================q-point: ( 0.45 0.32 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.584 ( -0.000 7.229 26.015) 27.001 7.320 ( -0.000 25.840 21.654) 33.714 9.627 ( -0.000 7.365 21.389) 22.621 9.822 ( -0.000 -10.639 14.769) 18.202 10.787 ( -0.000 10.616 8.256) 13.448 15.939 ( 0.000 1.203 -37.213) 37.233======================= Grid point 1668 (289/328) =======================q-point: ( 0.50 0.32 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.935 ( 1.803 6.831 22.928) 23.992 7.839 ( 1.016 24.495 19.484) 31.316 9.895 ( 0.277 -8.446 17.144) 19.114 9.923 ( -4.658 4.575 13.544) 15.035 10.986 ( 5.038 12.526 8.949) 16.198 15.538 ( -6.139 -1.937 -38.325) 38.861======================= Grid point 1669 (290/328) =======================q-point: ( 0.55 0.32 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.212 ( 4.520 6.028 18.881) 20.329 8.281 ( 3.897 19.103 18.859) 27.126 9.998 ( 2.336 -5.950 17.309) 18.451 10.144 ( -7.528 2.138 6.232) 10.004 11.168 ( 7.995 12.760 11.012) 18.655 15.172 ( -13.455 -3.758 -39.365) 41.770======================= Grid point 1670 (291/328) =======================q-point: ( 0.59 0.32 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.395 ( 7.530 4.660 14.526) 17.012 8.603 ( 7.670 10.891 19.006) 23.209 10.081 ( 7.461 -3.118 15.367) 17.365 10.282 ( -8.691 0.600 -1.066) 8.776 11.346 ( 8.683 9.212 14.609) 19.331 14.880 ( -21.606 -2.872 -39.468) 45.087======================= Grid point 1671 (292/328) =======================q-point: ( 0.64 0.32 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.474 ( 10.736 2.660 10.334) 15.137 8.784 ( 11.071 1.550 19.097) 22.128 10.094 ( 13.768 -0.148 11.161) 17.724 10.331 ( -7.995 -0.166 -7.371) 10.876 11.495 ( 9.061 1.080 17.909) 20.099 14.724 ( -29.736 1.393 -36.792) 47.327======================= Grid point 1672 (293/328) =======================q-point: (-0.32 0.32 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.445 ( 14.207 0.214 6.583) 15.659 8.819 ( 13.710 -7.892 17.898) 23.887 10.021 ( 18.118 2.075 6.341) 19.308 10.294 ( -5.227 -0.446 -11.500) 12.640 11.550 ( 10.091 -8.358 17.647) 21.980 14.767 ( -35.898 6.987 -29.550) 47.018======================= Grid point 1673 (294/328) =======================q-point: (-0.27 0.32 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.307 ( 17.885 -2.355 3.465) 18.369 8.693 ( 15.807 -16.734 13.830) 26.854 9.887 ( 19.212 3.656 2.393) 19.702 10.183 ( -0.020 -1.125 -11.413) 11.468 11.477 ( 10.594 -14.126 13.264) 22.084 15.016 ( -38.578 9.994 -19.007) 44.152======================= Grid point 1674 (295/328) =======================q-point: (-0.23 0.32 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.067 ( 21.479 -4.757 1.178) 22.031 8.390 ( 17.812 -23.437 6.885) 30.232 9.737 ( 18.258 5.233 0.487) 18.999 10.015 ( 6.749 -3.250 -6.928) 10.203 11.303 ( 10.295 -15.157 6.840) 19.558 15.414 ( -38.542 9.214 -8.509) 40.531======================= Grid point 1675 (296/328) =======================q-point: (-0.18 0.32 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.744 ( 24.571 -6.757 -0.000) 25.483 7.923 ( 20.458 -26.516 -0.000) 33.491 9.609 ( 16.896 6.973 0.000) 18.278 9.802 ( 13.412 -6.814 -0.000) 15.044 11.063 ( 9.787 -13.546 -0.000) 16.711 15.888 ( -37.302 6.040 0.000) 37.788======================= Grid point 1690 (297/328) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.120 ( -0.000 7.644 20.942) 22.293 7.752 ( -0.000 24.881 16.295) 29.742 10.017 ( -0.000 0.486 12.822) 12.831 10.196 ( -0.000 -7.061 18.111) 19.438 10.962 ( -0.000 11.864 7.032) 13.791 15.090 ( 0.000 -0.876 -36.815) 36.825======================= Grid point 1691 (298/328) =======================q-point: ( 0.55 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.400 ( 4.760 7.410 17.755) 19.820 8.226 ( -3.446 23.217 14.528) 27.604 10.130 ( -2.531 -2.331 6.752) 7.578 10.332 ( 3.066 -4.727 18.964) 19.783 11.183 ( 1.189 13.447 8.421) 15.911 14.667 ( -5.556 -4.261 -37.630) 38.276======================= Grid point 1692 (299/328) =======================q-point: ( 0.59 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.583 ( 8.755 6.957 13.570) 17.584 8.668 ( -3.042 17.413 15.106) 23.252 10.175 ( -4.254 -3.446 0.052) 5.474 10.421 ( 9.557 -2.482 15.644) 18.500 11.450 ( -0.466 11.504 14.460) 18.484 14.276 ( -12.587 -5.221 -38.783) 41.108======================= Grid point 1693 (300/328) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.668 ( 11.830 5.714 9.337) 16.117 9.018 ( 0.587 8.403 17.483) 19.406 10.149 ( -5.796 -3.198 -7.834) 10.256 10.404 ( 16.735 0.324 9.965) 19.480 11.762 ( -0.033 3.734 22.353) 22.662 13.984 ( -22.056 -1.079 -38.766) 44.615======================= Grid point 1694 (301/328) =======================q-point: (-0.32 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.656 ( 14.472 3.638 5.498) 15.903 9.222 ( 6.150 -3.974 19.343) 20.682 10.068 ( -6.890 -0.329 -14.589) 16.137 10.287 ( 21.201 2.533 5.292) 21.998 11.970 ( 5.548 -9.161 22.109) 24.567 13.933 ( -33.341 8.784 -31.114) 46.442======================= Grid point 1695 (302/328) =======================q-point: (-0.27 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.548 ( 16.997 0.971 2.310) 17.181 9.190 ( 11.069 -17.104 12.391) 23.846 9.995 ( -2.492 3.496 -10.578) 11.416 10.123 ( 19.601 3.938 1.631) 20.059 11.911 ( 9.493 -17.429 10.671) 22.533 14.237 ( -39.425 14.936 -14.146) 44.470======================= Grid point 1696 (303/328) =======================q-point: (-0.23 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.347 ( 19.414 -1.955 -0.000) 19.512 8.881 ( 14.050 -22.792 -0.000) 26.775 9.898 ( 17.368 3.708 -0.000) 17.759 10.033 ( 3.952 2.348 0.000) 4.597 11.649 ( 10.162 -17.733 -0.000) 20.439 14.783 ( -39.855 13.590 0.000) 42.108======================= Grid point 1713 (304/328) =======================q-point: ( 0.55 0.41 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.530 ( 0.000 9.041 14.942) 17.464 8.061 ( -0.000 24.135 10.827) 26.452 10.241 ( -0.000 -4.680 7.303) 8.674 10.612 ( 0.000 -2.272 17.782) 17.927 11.102 ( -0.000 12.920 5.136) 13.904 14.294 ( -0.000 -5.567 -32.321) 32.797======================= Grid point 1714 (305/328) =======================q-point: ( 0.59 0.41 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.734 ( 8.223 9.095 11.403) 16.744 8.499 ( -8.797 22.515 9.354) 25.920 10.231 ( -0.272 -7.379 2.477) 7.788 10.734 ( 11.748 0.683 15.222) 19.240 11.383 ( -10.005 13.521 9.622) 19.378 13.861 ( -3.395 -9.266 -32.126) 33.607======================= Grid point 1715 (306/328) =======================q-point: ( 0.64 0.41 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.820 ( 12.457 8.564 7.129) 16.714 8.958 ( -11.217 18.072 9.873) 23.450 10.131 ( 0.342 -9.808 -2.974) 10.255 10.703 ( 20.540 3.449 8.410) 22.461 11.850 ( -16.191 10.508 20.467) 28.133 13.440 ( -7.969 -9.463 -33.600) 35.805======================= Grid point 1716 (307/328) =======================q-point: (-0.32 0.41 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.812 ( 14.582 6.839 3.220) 16.425 9.375 ( -9.556 12.003 12.148) 19.570 9.930 ( 1.739 -11.318 -9.281) 14.740 10.556 ( 23.876 4.205 3.291) 24.466 12.357 ( -5.990 -4.305 29.099) 30.019 13.140 ( -23.388 3.709 -34.543) 41.880======================= Grid point 1718 (308/328) =======================q-point: (-0.27 0.41 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.719 ( 15.925 4.182 -0.000) 16.465 9.596 ( 8.319 -17.902 -0.000) 19.741 9.745 ( -9.950 11.179 0.000) 14.966 10.347 ( 23.709 3.902 -0.000) 24.028 12.306 ( 8.779 -20.224 -0.000) 22.048 13.495 ( -39.622 18.720 0.000) 43.822======================= Grid point 1737 (309/328) =======================q-point: ( 0.59 0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.792 ( 0.000 10.654 7.918) 13.275 8.245 ( -0.000 23.654 5.389) 24.260 10.359 ( 0.000 -8.395 3.228) 8.994 10.975 ( 0.000 4.329 13.058) 13.757 11.192 ( -0.000 13.629 2.713) 13.896 13.669 ( -0.000 -12.358 -21.189) 24.530======================= Grid point 1738 (310/328) =======================q-point: ( 0.64 0.45 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.911 ( 10.813 10.585 3.954) 15.640 8.645 ( -12.978 22.468 3.347) 26.161 10.260 ( 1.527 -11.114 0.407) 11.226 10.972 ( 22.982 7.113 5.154) 24.603 11.606 ( -26.184 14.935 7.744) 31.123 13.286 ( 1.327 -16.638 -15.548) 22.811======================= Grid point 1739 (311/328) =======================q-point: (-0.32 -0.55 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.902 ( 13.954 9.328 0.000) 16.785 9.079 ( -15.920 19.655 0.000) 25.293 10.087 ( 3.752 -13.547 -0.000) 14.057 10.798 ( 25.095 6.180 -0.000) 25.845 12.211 ( -34.140 18.349 0.000) 38.758 12.930 ( 5.197 -19.786 -0.000) 20.457======================= Grid point 1762 (312/328) =======================q-point: (-0.36 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1463Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.883 ( -0.000 11.395 0.000) 11.395 8.307 ( -0.000 23.487 0.000) 23.487 10.395 ( 0.000 -9.912 0.000) 9.912 11.139 ( -0.000 8.658 0.000) 8.658 11.223 ( -0.000 13.878 0.000) 13.878 13.410 ( 0.000 -16.694 0.000) 16.694======================= Grid point 2192 (313/328) =======================q-point: ( 0.55 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.267 ( 0.000 5.075 21.201) 21.800 8.330 ( -0.000 25.267 15.290) 29.533 9.994 ( -0.000 -3.555 11.980) 12.497 10.075 ( 0.000 -2.590 15.512) 15.726 11.272 ( -0.000 15.246 8.426) 17.419 15.010 ( -0.000 -6.492 -39.324) 39.856======================= Grid point 2193 (314/328) =======================q-point: ( 0.59 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.523 ( 3.179 3.244 18.366) 18.919 8.742 ( 3.811 21.676 13.239) 25.683 10.070 ( -5.036 -2.985 2.615) 6.412 10.224 ( 2.138 -4.699 19.893) 20.552 11.523 ( 5.067 16.279 9.041) 19.298 14.514 ( -9.046 -9.367 -39.978) 42.046======================= Grid point 2194 (315/328) =======================q-point: ( 0.64 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5328Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.683 ( 6.949 1.576 14.804) 16.430 9.019 ( 9.203 12.941 13.133) 20.607 10.103 ( -9.968 -2.757 -5.738) 11.827 10.355 ( 7.846 -3.183 20.030) 21.746 11.721 ( 9.699 11.984 11.273) 19.098 14.127 ( -20.995 -7.821 -38.958) 44.941======================= Grid point 2195 (316/328) =======================q-point: (-0.32 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2673Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.736 ( 10.907 0.000 10.907) 15.425 9.116 ( 12.743 0.000 12.743) 18.021 10.110 ( -10.592 0.000 -10.592) 14.979 10.409 ( 14.941 0.000 14.941) 21.129 11.804 ( 12.502 0.000 12.502) 17.680 13.972 ( -32.876 0.000 -32.876) 46.494======================= Grid point 2216 (317/328) =======================q-point: ( 0.59 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.699 ( 0.000 5.407 16.457) 17.322 8.618 ( -0.000 24.269 10.092) 26.284 10.121 ( -0.000 -6.009 2.288) 6.430 10.543 ( 0.000 -3.748 22.462) 22.773 11.440 ( -0.000 16.659 6.197) 17.774 14.128 ( -0.000 -9.236 -37.439) 38.562======================= Grid point 2217 (318/328) =======================q-point: ( 0.64 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.889 ( 6.056 4.147 13.319) 15.207 8.995 ( -1.539 20.558 8.943) 22.472 10.045 ( -2.596 -8.918 -3.138) 9.803 10.722 ( 8.879 -1.851 21.696) 23.516 11.722 ( -2.274 16.057 8.913) 18.505 13.626 ( -8.422 -11.355 -37.222) 39.816======================= Grid point 2218 (319/328) =======================q-point: ( 0.68 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.959 ( 11.132 3.240 8.927) 14.633 9.302 ( 0.979 10.428 11.787) 15.768 9.916 ( -5.495 -7.554 -9.932) 13.635 10.765 ( 19.371 1.591 14.254) 24.103 12.028 ( -0.819 4.390 16.815) 17.398 13.274 ( -22.481 -4.277 -35.342) 42.104======================= Grid point 2219 (320/328) =======================q-point: (-0.27 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.915 ( 14.751 1.846 4.245) 15.460 9.395 ( 7.070 -12.466 10.584) 17.816 9.848 ( -8.243 6.461 -10.581) 14.888 10.653 ( 24.844 3.942 5.722) 25.797 12.093 ( 6.460 -15.709 10.419) 19.927 13.353 ( -37.303 12.111 -18.108) 43.199======================= Grid point 2220 (321/328) =======================q-point: (-0.23 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2794Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.765 ( 17.081 -0.368 -0.000) 17.085 9.145 ( 9.201 -21.672 -0.000) 23.544 9.962 ( -3.772 8.063 0.000) 8.902 10.446 ( 24.584 4.542 -0.000) 25.000 11.852 ( 7.479 -19.331 -0.000) 20.727 13.867 ( -40.034 13.854 0.000) 42.363======================= Grid point 2239 (322/328) =======================q-point: ( 0.64 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.000 ( 0.000 7.106 9.513) 11.875 8.790 ( -0.000 23.627 5.001) 24.151 10.137 ( -0.000 -11.153 -0.290) 11.156 11.044 ( 0.000 1.459 20.091) 20.144 11.549 ( -0.000 17.589 3.285) 17.893 13.359 ( -0.000 -14.729 -28.323) 31.924======================= Grid point 2240 (323/328) =======================q-point: ( 0.68 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 5324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.105 ( 8.893 6.068 5.086) 11.907 9.142 ( -7.920 20.782 3.618) 22.532 9.970 ( 1.156 -14.301 -2.390) 14.545 11.117 ( 22.953 5.017 10.344) 25.671 11.956 ( -22.716 15.520 10.909) 29.595 12.892 ( -2.305 -17.255 -23.667) 29.380======================= Grid point 2241 (324/328) =======================q-point: (-0.27 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2796Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.065 ( 13.330 4.562 0.000) 14.089 9.498 ( -10.604 16.999 0.000) 20.036 9.737 ( 4.098 -17.294 -0.000) 17.773 10.937 ( 27.505 5.569 -0.000) 28.063 12.460 ( 4.628 -21.161 -0.000) 21.661 12.620 ( -36.318 17.480 0.000) 40.305======================= Grid point 2262 (325/328) =======================q-point: (-0.32 -0.50 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1463Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.111 ( -0.000 8.186 0.000) 8.186 8.847 ( -0.000 23.406 0.000) 23.406 10.130 ( 0.000 -13.404 0.000) 13.404 11.318 ( -0.000 6.678 0.000) 6.678 11.586 ( -0.000 17.913 0.000) 17.913 12.989 ( 0.000 -20.039 0.000) 20.039======================= Grid point 2739 (326/328) =======================q-point: ( 0.68 0.45 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2783Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.100 ( 0.000 1.504 11.482) 11.580 9.301 ( -0.000 20.976 4.539) 21.461 9.851 ( -0.000 -14.036 -5.036) 14.912 11.032 ( 0.000 -2.520 25.659) 25.782 11.983 ( -0.000 20.348 3.961) 20.730 13.005 ( -0.000 -16.285 -34.145) 37.830======================= Grid point 2740 (327/328) =======================q-point: (-0.27 0.45 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 2673Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.175 ( 6.760 0.000 6.760) 9.560 9.524 ( 4.718 0.000 4.718) 6.672 9.664 ( -7.014 -0.000 -7.014) 9.920 11.177 ( 17.430 0.000 17.430) 24.649 12.214 ( 4.813 0.000 4.813) 6.807 12.613 ( -24.478 -0.000 -24.478) 34.617======================= Grid point 2763 (328/328) =======================q-point: (-0.27 -0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 0.00e+00 Number of triplets: 1463Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.241 ( -0.000 2.946 0.000) 2.946 9.352 ( -0.000 20.741 0.000) 20.741 9.783 ( 0.000 -17.095 0.000) 17.095 11.426 ( -0.000 2.503 0.000) 2.503 12.029 ( -0.000 20.696 0.000) 20.696 12.513 ( 0.000 -21.475 0.000) 21.475=================== 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 3/63888 10.0 3970.568 3970.568 3970.568 0.000 -0.000 -0.000 3/63888 20.0 2420.600 2420.600 2420.600 0.000 -0.000 -0.000 3/63888 30.0 1352.396 1352.396 1352.396 0.000 -0.000 -0.000 3/63888 40.0 732.842 732.842 732.842 0.000 -0.000 -0.000 3/63888 50.0 402.149 402.149 402.149 0.000 -0.000 -0.000 3/63888 60.0 244.098 244.098 244.098 0.000 -0.000 -0.000 3/63888 70.0 166.110 166.110 166.110 0.000 -0.000 -0.000 3/63888 80.0 123.540 123.540 123.540 0.000 -0.000 -0.000 3/63888 90.0 97.644 97.644 97.644 0.000 -0.000 -0.000 3/63888 100.0 80.419 80.419 80.419 0.000 -0.000 -0.000 3/63888 110.0 68.177 68.177 68.177 0.000 -0.000 -0.000 3/63888 120.0 59.054 59.054 59.054 0.000 -0.000 -0.000 3/63888 130.0 52.014 52.014 52.014 0.000 -0.000 -0.000 3/63888 140.0 46.435 46.435 46.435 0.000 -0.000 -0.000 3/63888 150.0 41.917 41.917 41.917 0.000 -0.000 -0.000 3/63888 160.0 38.193 38.193 38.193 0.000 -0.000 -0.000 3/63888 170.0 35.078 35.078 35.078 0.000 -0.000 -0.000 3/63888 180.0 32.436 32.436 32.436 0.000 -0.000 -0.000 3/63888 190.0 30.171 30.171 30.171 0.000 -0.000 -0.000 3/63888 200.0 28.208 28.208 28.208 0.000 -0.000 -0.000 3/63888 210.0 26.492 26.492 26.492 0.000 -0.000 -0.000 3/63888 220.0 24.979 24.979 24.979 0.000 -0.000 -0.000 3/63888 230.0 23.635 23.635 23.635 0.000 -0.000 -0.000 3/63888 240.0 22.434 22.434 22.434 0.000 -0.000 -0.000 3/63888 250.0 21.354 21.354 21.354 0.000 -0.000 -0.000 3/63888 260.0 20.377 20.377 20.377 0.000 -0.000 -0.000 3/63888 270.0 19.490 19.490 19.490 0.000 -0.000 -0.000 3/63888 280.0 18.679 18.679 18.679 0.000 -0.000 -0.000 3/63888 290.0 17.936 17.936 17.936 0.000 -0.000 -0.000 3/63888 300.0 17.253 17.253 17.253 0.000 -0.000 -0.000 3/63888 310.0 16.621 16.621 16.621 0.000 -0.000 -0.000 3/63888 320.0 16.037 16.037 16.037 0.000 -0.000 -0.000 3/63888 330.0 15.493 15.493 15.493 0.000 -0.000 -0.000 3/63888 340.0 14.987 14.987 14.987 0.000 -0.000 -0.000 3/63888 350.0 14.514 14.514 14.514 0.000 -0.000 -0.000 3/63888 360.0 14.071 14.071 14.071 0.000 -0.000 -0.000 3/63888 370.0 13.655 13.655 13.655 0.000 -0.000 -0.000 3/63888 380.0 13.264 13.264 13.264 0.000 -0.000 -0.000 3/63888 390.0 12.896 12.896 12.896 0.000 -0.000 -0.000 3/63888 400.0 12.548 12.548 12.548 0.000 -0.000 -0.000 3/63888 410.0 12.219 12.219 12.219 0.000 -0.000 -0.000 3/63888 420.0 11.907 11.907 11.907 0.000 -0.000 -0.000 3/63888 430.0 11.612 11.612 11.612 0.000 -0.000 -0.000 3/63888 440.0 11.331 11.331 11.331 0.000 -0.000 -0.000 3/63888 450.0 11.064 11.064 11.064 0.000 -0.000 -0.000 3/63888 460.0 10.809 10.809 10.809 0.000 -0.000 -0.000 3/63888 470.0 10.566 10.566 10.566 0.000 -0.000 -0.000 3/63888 480.0 10.335 10.335 10.335 0.000 -0.000 -0.000 3/63888 490.0 10.113 10.113 10.113 0.000 -0.000 -0.000 3/63888 500.0 9.901 9.901 9.901 0.000 -0.000 -0.000 3/63888 510.0 9.698 9.698 9.698 0.000 -0.000 -0.000 3/63888 520.0 9.503 9.503 9.503 0.000 -0.000 -0.000 3/63888 530.0 9.316 9.316 9.316 0.000 -0.000 -0.000 3/63888 540.0 9.137 9.137 9.137 0.000 -0.000 -0.000 3/63888 550.0 8.964 8.964 8.964 0.000 -0.000 -0.000 3/63888 560.0 8.798 8.798 8.798 0.000 -0.000 -0.000 3/63888 570.0 8.638 8.638 8.638 0.000 -0.000 -0.000 3/63888 580.0 8.484 8.484 8.484 0.000 -0.000 -0.000 3/63888 590.0 8.336 8.336 8.336 0.000 -0.000 -0.000 3/63888 600.0 8.192 8.192 8.192 0.000 -0.000 -0.000 3/63888 610.0 8.054 8.054 8.054 0.000 -0.000 -0.000 3/63888 620.0 7.920 7.920 7.920 0.000 -0.000 -0.000 3/63888 630.0 7.791 7.791 7.791 0.000 -0.000 -0.000 3/63888 640.0 7.666 7.666 7.666 0.000 -0.000 -0.000 3/63888 650.0 7.545 7.545 7.545 0.000 -0.000 -0.000 3/63888 660.0 7.428 7.428 7.428 0.000 -0.000 -0.000 3/63888 670.0 7.314 7.314 7.314 0.000 -0.000 -0.000 3/63888 680.0 7.204 7.204 7.204 0.000 -0.000 -0.000 3/63888 690.0 7.097 7.097 7.097 0.000 -0.000 -0.000 3/63888 700.0 6.993 6.993 6.993 0.000 -0.000 -0.000 3/63888 710.0 6.893 6.893 6.893 0.000 -0.000 -0.000 3/63888 720.0 6.795 6.795 6.795 0.000 -0.000 -0.000 3/63888 730.0 6.700 6.700 6.700 0.000 -0.000 -0.000 3/63888 740.0 6.608 6.608 6.608 0.000 -0.000 -0.000 3/63888 750.0 6.518 6.518 6.518 0.000 -0.000 -0.000 3/63888 760.0 6.431 6.431 6.431 0.000 -0.000 -0.000 3/63888 770.0 6.346 6.346 6.346 0.000 -0.000 -0.000 3/63888 780.0 6.263 6.263 6.263 0.000 -0.000 -0.000 3/63888 790.0 6.183 6.183 6.183 0.000 -0.000 -0.000 3/63888 800.0 6.104 6.104 6.104 0.000 -0.000 -0.000 3/63888 810.0 6.028 6.028 6.028 0.000 -0.000 -0.000 3/63888 820.0 5.953 5.953 5.953 0.000 -0.000 -0.000 3/63888 830.0 5.880 5.880 5.880 0.000 -0.000 -0.000 3/63888 840.0 5.809 5.809 5.809 0.000 -0.000 -0.000 3/63888 850.0 5.740 5.740 5.740 0.000 -0.000 -0.000 3/63888 860.0 5.672 5.672 5.672 0.000 -0.000 -0.000 3/63888 870.0 5.606 5.606 5.606 0.000 -0.000 -0.000 3/63888 880.0 5.542 5.542 5.542 0.000 -0.000 -0.000 3/63888 890.0 5.479 5.479 5.479 0.000 -0.000 -0.000 3/63888 900.0 5.417 5.417 5.417 0.000 -0.000 -0.000 3/63888 910.0 5.357 5.357 5.357 0.000 -0.000 -0.000 3/63888 920.0 5.298 5.298 5.298 0.000 -0.000 -0.000 3/63888 930.0 5.240 5.240 5.240 0.000 -0.000 -0.000 3/63888 940.0 5.184 5.184 5.184 0.000 -0.000 -0.000 3/63888 950.0 5.129 5.129 5.129 0.000 -0.000 -0.000 3/63888 960.0 5.075 5.075 5.075 0.000 -0.000 -0.000 3/63888 970.0 5.022 5.022 5.022 0.000 -0.000 -0.000 3/63888 980.0 4.971 4.971 4.971 0.000 -0.000 -0.000 3/63888 990.0 4.920 4.920 4.920 0.000 -0.000 -0.000 3/63888 1000.0 4.870 4.870 4.870 0.000 -0.000 -0.000 3/63888Thermal conductivity related properties were written into "kappa-m222222.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 18:44:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|