# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/0b6d601f-5228-4548-a2a8-0c3a410fc475/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 LuSF / R-3m (166) / materials id 555850](https://mdr.nims.go.jp/datasets/02742c95-7b35-41f7-bdd6-35885da6fcf4) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 12:15:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a 1.924299099965563 1.110994603366471 8.235814813333324 b -1.924299099965560 1.110994603366471 8.235814813333324 c 0.000000000000002 -2.221989206732944 8.235814813333324Atomic positions (fractional): *1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 *2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 *3 S 0.60844439738878 0.60844439738878 0.60844439738878 32.065 4 S 0.39155560261122 0.39155560261123 0.39155560261122 32.065 *5 F 0.81806781525035 0.81806781525035 0.81806781525035 18.998 6 F 0.18193218474965 0.18193218474965 0.18193218474965 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.848598199931123 0.000000000000000 0.000000000000000 b -1.924299099965562 3.332983810099415 0.000000000000000 c 0.000000000000000 0.000000000000000 24.707444439999996Atomic positions (fractional): *1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 1 *2 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 2 3 Lu 0.66666666666667 0.33333333333333 0.33333333333333 174.967 > 1 4 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 2 5 Lu 0.33333333333333 0.66666666666667 0.66666666666667 174.967 > 1 6 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 2 *7 S 0.33333333333333 0.66666666666667 0.27511106405544 32.065 > 3 8 S 0.33333333333333 0.66666666666667 0.05822226927789 32.065 > 4 9 S 0.00000000000000 0.00000000000000 0.60844439738878 32.065 > 3 10 S 0.00000000000000 0.00000000000000 0.39155560261122 32.065 > 4 11 S 0.66666666666667 0.33333333333333 0.94177773072211 32.065 > 3 12 S 0.66666666666667 0.33333333333333 0.72488893594456 32.065 > 4 *13 F 0.66666666666667 0.33333333333333 0.15140114858369 18.998 > 5 14 F 0.00000000000000 0.00000000000000 0.18193218474965 18.998 > 6 15 F 0.33333333333333 0.66666666666667 0.48473448191702 18.998 > 5 16 F 0.66666666666667 0.33333333333333 0.51526551808298 18.998 > 6 17 F 0.00000000000000 0.00000000000000 0.81806781525035 18.998 > 5 18 F 0.33333333333333 0.66666666666667 0.84859885141631 18.998 > 6-------------------------------- super cell --------------------------------Lattice vectors: a 7.697196399862246 0.000000000000000 0.000000000000000 b -3.848598199931124 6.665967620198830 0.000000000000000 c 0.000000000000000 0.000000000000000 24.707444439999996Atomic positions (fractional): *1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 1 2 Lu 0.50000000000000 0.00000000000000 0.00000000000000 174.967 > 1 3 Lu 0.00000000000000 0.50000000000000 0.00000000000000 174.967 > 1 4 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 1 *5 Lu 0.16666666666667 0.33333333333333 0.16666666666667 174.967 > 2 6 Lu 0.66666666666667 0.33333333333333 0.16666666666667 174.967 > 2 7 Lu 0.16666666666667 0.83333333333333 0.16666666666667 174.967 > 2 8 Lu 0.66666666666667 0.83333333333333 0.16666666666667 174.967 > 2 9 Lu 0.33333333333333 0.16666666666667 0.33333333333333 174.967 > 1 10 Lu 0.83333333333333 0.16666666666667 0.33333333333333 174.967 > 1 11 Lu 0.33333333333333 0.66666666666667 0.33333333333333 174.967 > 1 12 Lu 0.83333333333333 0.66666666666667 0.33333333333333 174.967 > 1 13 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 2 14 Lu 0.50000000000000 0.00000000000000 0.50000000000000 174.967 > 2 15 Lu 0.00000000000000 0.50000000000000 0.50000000000000 174.967 > 2 16 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 2 17 Lu 0.16666666666667 0.33333333333333 0.66666666666667 174.967 > 1 18 Lu 0.66666666666667 0.33333333333333 0.66666666666667 174.967 > 1 19 Lu 0.16666666666667 0.83333333333333 0.66666666666667 174.967 > 1 20 Lu 0.66666666666667 0.83333333333333 0.66666666666667 174.967 > 1 21 Lu 0.33333333333333 0.16666666666667 0.83333333333333 174.967 > 2 22 Lu 0.83333333333333 0.16666666666667 0.83333333333333 174.967 > 2 23 Lu 0.33333333333333 0.66666666666667 0.83333333333333 174.967 > 2 24 Lu 0.83333333333333 0.66666666666667 0.83333333333333 174.967 > 2 *25 S 0.16666666666667 0.33333333333333 0.27511106405544 32.065 > 3 26 S 0.66666666666667 0.33333333333333 0.27511106405544 32.065 > 3 27 S 0.16666666666667 0.83333333333333 0.27511106405544 32.065 > 3 28 S 0.66666666666667 0.83333333333333 0.27511106405544 32.065 > 3 29 S 0.16666666666667 0.33333333333333 0.05822226927789 32.065 > 4 30 S 0.66666666666667 0.33333333333333 0.05822226927789 32.065 > 4 31 S 0.16666666666667 0.83333333333333 0.05822226927789 32.065 > 4 32 S 0.66666666666667 0.83333333333333 0.05822226927789 32.065 > 4 33 S 0.00000000000000 0.00000000000000 0.60844439738878 32.065 > 3 34 S 0.50000000000000 0.00000000000000 0.60844439738878 32.065 > 3 35 S 0.00000000000000 0.50000000000000 0.60844439738878 32.065 > 3 36 S 0.50000000000000 0.50000000000000 0.60844439738878 32.065 > 3 37 S 0.00000000000000 0.00000000000000 0.39155560261122 32.065 > 4 38 S 0.50000000000000 0.00000000000000 0.39155560261122 32.065 > 4 39 S 0.00000000000000 0.50000000000000 0.39155560261122 32.065 > 4 40 S 0.50000000000000 0.50000000000000 0.39155560261122 32.065 > 4 41 S 0.33333333333333 0.16666666666667 0.94177773072211 32.065 > 3 42 S 0.83333333333333 0.16666666666667 0.94177773072211 32.065 > 3 43 S 0.33333333333333 0.66666666666667 0.94177773072211 32.065 > 3 44 S 0.83333333333333 0.66666666666667 0.94177773072211 32.065 > 3 45 S 0.33333333333333 0.16666666666667 0.72488893594456 32.065 > 4 46 S 0.83333333333333 0.16666666666667 0.72488893594456 32.065 > 4 47 S 0.33333333333333 0.66666666666667 0.72488893594456 32.065 > 4 48 S 0.83333333333333 0.66666666666667 0.72488893594456 32.065 > 4 *49 F 0.33333333333333 0.16666666666667 0.15140114858369 18.998 > 5 50 F 0.83333333333333 0.16666666666667 0.15140114858369 18.998 > 5 51 F 0.33333333333333 0.66666666666667 0.15140114858369 18.998 > 5 52 F 0.83333333333333 0.66666666666667 0.15140114858369 18.998 > 5 53 F 0.00000000000000 0.00000000000000 0.18193218474965 18.998 > 6 54 F 0.50000000000000 0.00000000000000 0.18193218474965 18.998 > 6 55 F 0.00000000000000 0.50000000000000 0.18193218474965 18.998 > 6 56 F 0.50000000000000 0.50000000000000 0.18193218474965 18.998 > 6 57 F 0.16666666666667 0.33333333333333 0.48473448191702 18.998 > 5 58 F 0.66666666666667 0.33333333333333 0.48473448191702 18.998 > 5 59 F 0.16666666666667 0.83333333333333 0.48473448191702 18.998 > 5 60 F 0.66666666666667 0.83333333333333 0.48473448191702 18.998 > 5 61 F 0.33333333333333 0.16666666666667 0.51526551808298 18.998 > 6 62 F 0.83333333333333 0.16666666666667 0.51526551808298 18.998 > 6 63 F 0.33333333333333 0.66666666666667 0.51526551808298 18.998 > 6 64 F 0.83333333333333 0.66666666666667 0.51526551808298 18.998 > 6 65 F 0.00000000000000 0.00000000000000 0.81806781525035 18.998 > 5 66 F 0.50000000000000 0.00000000000000 0.81806781525035 18.998 > 5 67 F 0.00000000000000 0.50000000000000 0.81806781525035 18.998 > 5 68 F 0.50000000000000 0.50000000000000 0.81806781525035 18.998 > 5 69 F 0.16666666666667 0.33333333333333 0.84859885141631 18.998 > 6 70 F 0.66666666666667 0.33333333333333 0.84859885141631 18.998 > 6 71 F 0.16666666666667 0.83333333333333 0.84859885141631 18.998 > 6 72 F 0.66666666666667 0.83333333333333 0.84859885141631 18.998 > 6----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.1721003 0.0000000 0.0000000 0.0000000 5.1721003 0.0000000 0.0000000 0.0000000 5.0709835-------------------------- Born effective charges -------------------------- 1 Lu 4.2393850 -0.0000000 0.0000000 0.0000000 4.2393850 0.0000000 0.0000000 0.0000000 2.1655606 2 Lu 3.6539018 0.0000000 0.0000000 -0.0000000 3.6539018 0.0000000 0.0000000 0.0000000 5.4519766 3 S -2.3112761 -0.0000000 0.0000000 -0.0000000 -2.3112761 0.0000000 0.0000000 0.0000000 -2.5838691 4 S -2.3112761 -0.0000000 0.0000000 -0.0000000 -2.3112761 0.0000000 0.0000000 0.0000000 -2.5838691 5 F -1.6353672 0.0000000 0.0000000 -0.0000000 -1.6353672 0.0000000 0.0000000 0.0000000 -1.2248995 6 F -1.6353672 0.0000000 0.0000000 -0.0000000 -1.6353672 0.0000000 0.0000000 0.0000000 -1.2248995----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 216/216Permutation basis: 2448/2448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 226Number of blocks in projector: 300Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 68Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (226, 218), data: False|-- (56, 56), data: True|-- (68, 64), data: True|-- (102, 98), data: True-----Solver_atoms: 1 -- 72 / 72Time (Solver_compr_matrix_reshape): 0.003Solver_block: 80 / 80 - Time: 0.086Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.091--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216Permutation basis: 2448/2448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 226Number of blocks in projector: 300Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 68Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (226, 218), data: False|-- (56, 56), data: True|-- (68, 64), data: True|-- (102, 98), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 12:15:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 12:15:37]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.924299099965563 1.110994603366471 8.235814813333324 b -1.924299099965560 1.110994603366471 8.235814813333324 c 0.000000000000002 -2.221989206732944 8.235814813333324Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 3 S 0.60844439738878 0.60844439738878 0.60844439738878 32.065 4 S 0.39155560261122 0.39155560261123 0.39155560261122 32.065 5 F 0.81806781525035 0.81806781525035 0.81806781525035 18.998 6 F 0.18193218474965 0.18193218474965 0.18193218474965 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 7.697196399862246 0.000000000000000 0.000000000000000 b -3.848598199931124 6.665967620198830 0.000000000000000 c 0.000000000000000 0.000000000000000 24.707444439999996Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 1 2 Lu 0.50000000000000 0.00000000000000 0.00000000000000 174.967 > 1 3 Lu 0.00000000000000 0.50000000000000 0.00000000000000 174.967 > 1 4 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 1 5 Lu 0.16666666666667 0.33333333333333 0.16666666666667 174.967 > 5 6 Lu 0.66666666666667 0.33333333333333 0.16666666666667 174.967 > 5 7 Lu 0.16666666666667 0.83333333333333 0.16666666666667 174.967 > 5 8 Lu 0.66666666666667 0.83333333333333 0.16666666666667 174.967 > 5 9 Lu 0.33333333333333 0.16666666666667 0.33333333333333 174.967 > 1 10 Lu 0.83333333333333 0.16666666666667 0.33333333333333 174.967 > 1 11 Lu 0.33333333333333 0.66666666666667 0.33333333333333 174.967 > 1 12 Lu 0.83333333333333 0.66666666666667 0.33333333333333 174.967 > 1 13 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 5 14 Lu 0.50000000000000 0.00000000000000 0.50000000000000 174.967 > 5 15 Lu 0.00000000000000 0.50000000000000 0.50000000000000 174.967 > 5 16 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 5 17 Lu 0.16666666666667 0.33333333333333 0.66666666666667 174.967 > 1 18 Lu 0.66666666666667 0.33333333333333 0.66666666666667 174.967 > 1 19 Lu 0.16666666666667 0.83333333333333 0.66666666666667 174.967 > 1 20 Lu 0.66666666666667 0.83333333333333 0.66666666666667 174.967 > 1 21 Lu 0.33333333333333 0.16666666666667 0.83333333333333 174.967 > 5 22 Lu 0.83333333333333 0.16666666666667 0.83333333333333 174.967 > 5 23 Lu 0.33333333333333 0.66666666666667 0.83333333333333 174.967 > 5 24 Lu 0.83333333333333 0.66666666666667 0.83333333333333 174.967 > 5 25 S 0.16666666666667 0.33333333333333 0.27511106405544 32.065 > 25 26 S 0.66666666666667 0.33333333333333 0.27511106405544 32.065 > 25 27 S 0.16666666666667 0.83333333333333 0.27511106405544 32.065 > 25 28 S 0.66666666666667 0.83333333333333 0.27511106405544 32.065 > 25 29 S 0.16666666666667 0.33333333333333 0.05822226927789 32.065 > 29 30 S 0.66666666666667 0.33333333333333 0.05822226927789 32.065 > 29 31 S 0.16666666666667 0.83333333333333 0.05822226927789 32.065 > 29 32 S 0.66666666666667 0.83333333333333 0.05822226927789 32.065 > 29 33 S 0.00000000000000 0.00000000000000 0.60844439738878 32.065 > 25 34 S 0.50000000000000 0.00000000000000 0.60844439738878 32.065 > 25 35 S 0.00000000000000 0.50000000000000 0.60844439738878 32.065 > 25 36 S 0.50000000000000 0.50000000000000 0.60844439738878 32.065 > 25 37 S 0.00000000000000 0.00000000000000 0.39155560261122 32.065 > 29 38 S 0.50000000000000 0.00000000000000 0.39155560261122 32.065 > 29 39 S 0.00000000000000 0.50000000000000 0.39155560261122 32.065 > 29 40 S 0.50000000000000 0.50000000000000 0.39155560261122 32.065 > 29 41 S 0.33333333333333 0.16666666666667 0.94177773072211 32.065 > 25 42 S 0.83333333333333 0.16666666666667 0.94177773072211 32.065 > 25 43 S 0.33333333333333 0.66666666666667 0.94177773072211 32.065 > 25 44 S 0.83333333333333 0.66666666666667 0.94177773072211 32.065 > 25 45 S 0.33333333333333 0.16666666666667 0.72488893594456 32.065 > 29 46 S 0.83333333333333 0.16666666666667 0.72488893594456 32.065 > 29 47 S 0.33333333333333 0.66666666666667 0.72488893594456 32.065 > 29 48 S 0.83333333333333 0.66666666666667 0.72488893594456 32.065 > 29 49 F 0.33333333333333 0.16666666666667 0.15140114858369 18.998 > 49 50 F 0.83333333333333 0.16666666666667 0.15140114858369 18.998 > 49 51 F 0.33333333333333 0.66666666666667 0.15140114858369 18.998 > 49 52 F 0.83333333333333 0.66666666666667 0.15140114858369 18.998 > 49 53 F 0.00000000000000 0.00000000000000 0.18193218474965 18.998 > 53 54 F 0.50000000000000 0.00000000000000 0.18193218474965 18.998 > 53 55 F 0.00000000000000 0.50000000000000 0.18193218474965 18.998 > 53 56 F 0.50000000000000 0.50000000000000 0.18193218474965 18.998 > 53 57 F 0.16666666666667 0.33333333333333 0.48473448191702 18.998 > 49 58 F 0.66666666666667 0.33333333333333 0.48473448191702 18.998 > 49 59 F 0.16666666666667 0.83333333333333 0.48473448191702 18.998 > 49 60 F 0.66666666666667 0.83333333333333 0.48473448191702 18.998 > 49 61 F 0.33333333333333 0.16666666666667 0.51526551808298 18.998 > 53 62 F 0.83333333333333 0.16666666666667 0.51526551808298 18.998 > 53 63 F 0.33333333333333 0.66666666666667 0.51526551808298 18.998 > 53 64 F 0.83333333333333 0.66666666666667 0.51526551808298 18.998 > 53 65 F 0.00000000000000 0.00000000000000 0.81806781525035 18.998 > 49 66 F 0.50000000000000 0.00000000000000 0.81806781525035 18.998 > 49 67 F 0.00000000000000 0.50000000000000 0.81806781525035 18.998 > 49 68 F 0.50000000000000 0.50000000000000 0.81806781525035 18.998 > 49 69 F 0.16666666666667 0.33333333333333 0.84859885141631 18.998 > 53 70 F 0.66666666666667 0.33333333333333 0.84859885141631 18.998 > 53 71 F 0.16666666666667 0.83333333333333 0.84859885141631 18.998 > 53 72 F 0.66666666666667 0.83333333333333 0.84859885141631 18.998 > 53----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.1721003 0.0000000 0.0000000 0.0000000 5.1721003 0.0000000 0.0000000 0.0000000 5.0709835-------------------------- Born effective charges -------------------------- 1 Lu 4.2393850 -0.0000000 0.0000000 0.0000000 4.2393850 0.0000000 0.0000000 0.0000000 2.1655606 2 Lu 3.6539018 0.0000000 0.0000000 -0.0000000 3.6539018 0.0000000 0.0000000 0.0000000 5.4519766 3 S -2.3112761 -0.0000000 0.0000000 -0.0000000 -2.3112761 0.0000000 0.0000000 0.0000000 -2.5838691 4 S -2.3112761 -0.0000000 0.0000000 -0.0000000 -2.3112761 0.0000000 0.0000000 0.0000000 -2.5838691 5 F -1.6353672 0.0000000 0.0000000 -0.0000000 -1.6353672 0.0000000 0.0000000 0.0000000 -1.2248995 6 F -1.6353672 0.0000000 0.0000000 -0.0000000 -1.6353672 0.0000000 0.0000000 0.0000000 -1.2248995----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 5, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz)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 2026-01-08 12:15:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 12:15:41]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.924299099965563 1.110994603366471 8.235814813333324 b -1.924299099965560 1.110994603366471 8.235814813333324 c 0.000000000000002 -2.221989206732944 8.235814813333324Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 3 S 0.60844439738878 0.60844439738878 0.60844439738878 32.065 4 S 0.39155560261122 0.39155560261123 0.39155560261122 32.065 5 F 0.81806781525035 0.81806781525035 0.81806781525035 18.998 6 F 0.18193218474965 0.18193218474965 0.18193218474965 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 7.697196399862246 0.000000000000000 0.000000000000000 b -3.848598199931124 6.665967620198830 0.000000000000000 c 0.000000000000000 0.000000000000000 24.707444439999996Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 1 2 Lu 0.50000000000000 0.00000000000000 0.00000000000000 174.967 > 1 3 Lu 0.00000000000000 0.50000000000000 0.00000000000000 174.967 > 1 4 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 1 5 Lu 0.16666666666667 0.33333333333333 0.16666666666667 174.967 > 5 6 Lu 0.66666666666667 0.33333333333333 0.16666666666667 174.967 > 5 7 Lu 0.16666666666667 0.83333333333333 0.16666666666667 174.967 > 5 8 Lu 0.66666666666667 0.83333333333333 0.16666666666667 174.967 > 5 9 Lu 0.33333333333333 0.16666666666667 0.33333333333333 174.967 > 1 10 Lu 0.83333333333333 0.16666666666667 0.33333333333333 174.967 > 1 11 Lu 0.33333333333333 0.66666666666667 0.33333333333333 174.967 > 1 12 Lu 0.83333333333333 0.66666666666667 0.33333333333333 174.967 > 1 13 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 5 14 Lu 0.50000000000000 0.00000000000000 0.50000000000000 174.967 > 5 15 Lu 0.00000000000000 0.50000000000000 0.50000000000000 174.967 > 5 16 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 5 17 Lu 0.16666666666667 0.33333333333333 0.66666666666667 174.967 > 1 18 Lu 0.66666666666667 0.33333333333333 0.66666666666667 174.967 > 1 19 Lu 0.16666666666667 0.83333333333333 0.66666666666667 174.967 > 1 20 Lu 0.66666666666667 0.83333333333333 0.66666666666667 174.967 > 1 21 Lu 0.33333333333333 0.16666666666667 0.83333333333333 174.967 > 5 22 Lu 0.83333333333333 0.16666666666667 0.83333333333333 174.967 > 5 23 Lu 0.33333333333333 0.66666666666667 0.83333333333333 174.967 > 5 24 Lu 0.83333333333333 0.66666666666667 0.83333333333333 174.967 > 5 25 S 0.16666666666667 0.33333333333333 0.27511106405544 32.065 > 25 26 S 0.66666666666667 0.33333333333333 0.27511106405544 32.065 > 25 27 S 0.16666666666667 0.83333333333333 0.27511106405544 32.065 > 25 28 S 0.66666666666667 0.83333333333333 0.27511106405544 32.065 > 25 29 S 0.16666666666667 0.33333333333333 0.05822226927789 32.065 > 29 30 S 0.66666666666667 0.33333333333333 0.05822226927789 32.065 > 29 31 S 0.16666666666667 0.83333333333333 0.05822226927789 32.065 > 29 32 S 0.66666666666667 0.83333333333333 0.05822226927789 32.065 > 29 33 S 0.00000000000000 0.00000000000000 0.60844439738878 32.065 > 25 34 S 0.50000000000000 0.00000000000000 0.60844439738878 32.065 > 25 35 S 0.00000000000000 0.50000000000000 0.60844439738878 32.065 > 25 36 S 0.50000000000000 0.50000000000000 0.60844439738878 32.065 > 25 37 S 0.00000000000000 0.00000000000000 0.39155560261122 32.065 > 29 38 S 0.50000000000000 0.00000000000000 0.39155560261122 32.065 > 29 39 S 0.00000000000000 0.50000000000000 0.39155560261122 32.065 > 29 40 S 0.50000000000000 0.50000000000000 0.39155560261122 32.065 > 29 41 S 0.33333333333333 0.16666666666667 0.94177773072211 32.065 > 25 42 S 0.83333333333333 0.16666666666667 0.94177773072211 32.065 > 25 43 S 0.33333333333333 0.66666666666667 0.94177773072211 32.065 > 25 44 S 0.83333333333333 0.66666666666667 0.94177773072211 32.065 > 25 45 S 0.33333333333333 0.16666666666667 0.72488893594456 32.065 > 29 46 S 0.83333333333333 0.16666666666667 0.72488893594456 32.065 > 29 47 S 0.33333333333333 0.66666666666667 0.72488893594456 32.065 > 29 48 S 0.83333333333333 0.66666666666667 0.72488893594456 32.065 > 29 49 F 0.33333333333333 0.16666666666667 0.15140114858369 18.998 > 49 50 F 0.83333333333333 0.16666666666667 0.15140114858369 18.998 > 49 51 F 0.33333333333333 0.66666666666667 0.15140114858369 18.998 > 49 52 F 0.83333333333333 0.66666666666667 0.15140114858369 18.998 > 49 53 F 0.00000000000000 0.00000000000000 0.18193218474965 18.998 > 53 54 F 0.50000000000000 0.00000000000000 0.18193218474965 18.998 > 53 55 F 0.00000000000000 0.50000000000000 0.18193218474965 18.998 > 53 56 F 0.50000000000000 0.50000000000000 0.18193218474965 18.998 > 53 57 F 0.16666666666667 0.33333333333333 0.48473448191702 18.998 > 49 58 F 0.66666666666667 0.33333333333333 0.48473448191702 18.998 > 49 59 F 0.16666666666667 0.83333333333333 0.48473448191702 18.998 > 49 60 F 0.66666666666667 0.83333333333333 0.48473448191702 18.998 > 49 61 F 0.33333333333333 0.16666666666667 0.51526551808298 18.998 > 53 62 F 0.83333333333333 0.16666666666667 0.51526551808298 18.998 > 53 63 F 0.33333333333333 0.66666666666667 0.51526551808298 18.998 > 53 64 F 0.83333333333333 0.66666666666667 0.51526551808298 18.998 > 53 65 F 0.00000000000000 0.00000000000000 0.81806781525035 18.998 > 49 66 F 0.50000000000000 0.00000000000000 0.81806781525035 18.998 > 49 67 F 0.00000000000000 0.50000000000000 0.81806781525035 18.998 > 49 68 F 0.50000000000000 0.50000000000000 0.81806781525035 18.998 > 49 69 F 0.16666666666667 0.33333333333333 0.84859885141631 18.998 > 53 70 F 0.66666666666667 0.33333333333333 0.84859885141631 18.998 > 53 71 F 0.16666666666667 0.83333333333333 0.84859885141631 18.998 > 53 72 F 0.66666666666667 0.83333333333333 0.84859885141631 18.998 > 53----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.1721003 0.0000000 0.0000000 0.0000000 5.1721003 0.0000000 0.0000000 0.0000000 5.0709835-------------------------- Born effective charges -------------------------- 1 Lu 4.2393850 -0.0000000 0.0000000 0.0000000 4.2393850 0.0000000 0.0000000 0.0000000 2.1655606 2 Lu 3.6539018 0.0000000 0.0000000 -0.0000000 3.6539018 0.0000000 0.0000000 0.0000000 5.4519766 3 S -2.3112761 -0.0000000 0.0000000 -0.0000000 -2.3112761 0.0000000 0.0000000 0.0000000 -2.5838691 4 S -2.3112761 -0.0000000 0.0000000 -0.0000000 -2.3112761 0.0000000 0.0000000 0.0000000 -2.5838691 5 F -1.6353672 0.0000000 0.0000000 -0.0000000 -1.6353672 0.0000000 0.0000000 0.0000000 -1.2248995 6 F -1.6353672 0.0000000 0.0000000 -0.0000000 -1.6353672 0.0000000 0.0000000 0.0000000 -1.2248995----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 15 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 297, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.365 ( 0.000 0.000 0.000) 0.000 1.365 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.620 ( 0.000 0.000 0.000) 0.000 6.620 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 14.124 ( 0.000 0.000 0.000) 0.000 14.124 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.281 ( 9.461 5.462 21.640) 24.242 0.590 ( 24.102 13.915 5.534) 28.375 0.973 ( 41.388 23.895 -0.765) 47.797 1.444 ( 6.733 3.887 -1.717) 7.961 1.640 ( 20.269 11.702 1.271) 23.439 3.900 ( -1.454 -0.839 -1.467) 2.229 5.648 ( 1.775 1.025 0.392) 2.087 5.808 ( -16.008 -9.242 0.221) 18.485 6.130 ( -5.834 -3.368 -14.005) 15.541 6.576 ( -0.032 -0.019 -7.679) 7.679 6.659 ( 2.367 1.366 6.994) 7.509 6.751 ( 8.603 4.967 1.236) 10.010 6.882 ( 22.844 13.189 7.321) 27.375 9.033 ( -2.686 -1.551 -18.048) 18.313 9.848 ( -6.718 -3.879 19.507) 20.993 10.431 ( 1.965 1.135 0.083) 2.271 14.080 ( -3.633 -2.097 -0.508) 4.225 14.101 ( -1.988 -1.148 0.016) 2.295======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( 10.901 6.294 17.291) 21.387 1.129 ( 21.127 12.197 4.648) 24.834 1.641 ( 10.150 5.860 -2.698) 12.027 1.890 ( 37.729 21.783 -0.326) 43.567 2.198 ( 25.542 14.747 2.005) 29.562 3.840 ( -3.223 -1.861 -3.728) 5.268 5.502 ( -10.221 -5.901 1.363) 11.880 5.716 ( 4.101 2.368 1.007) 4.841 5.969 ( -4.750 -2.742 -10.918) 12.218 6.545 ( -1.001 -0.578 -6.041) 6.151 6.761 ( 4.876 2.815 4.650) 7.302 6.956 ( 8.357 4.825 1.152) 9.718 7.422 ( 20.922 12.080 7.483) 25.291 8.884 ( -6.508 -3.757 -9.390) 12.027 9.707 ( -8.561 -4.943 9.376) 13.625 10.487 ( 2.582 1.491 0.105) 2.984 13.971 ( -5.109 -2.950 -0.803) 5.954 14.035 ( -3.630 -2.096 0.020) 4.192======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( 12.500 7.217 13.607) 19.836 1.585 ( 17.417 10.056 3.380) 20.393 1.871 ( 9.914 5.724 -2.969) 11.826 2.687 ( 29.402 16.975 -0.466) 33.954 2.771 ( 24.074 13.899 3.176) 27.980 3.729 ( -5.292 -3.055 -6.149) 8.669 5.354 ( -3.068 -1.771 2.955) 4.613 5.845 ( 6.690 3.862 1.851) 7.944 5.856 ( -2.770 -1.599 -9.921) 10.424 6.496 ( -1.964 -1.134 -4.663) 5.185 6.901 ( 6.210 3.585 2.601) 7.628 7.133 ( 6.579 3.798 1.289) 7.705 7.833 ( 11.683 6.745 7.260) 15.320 8.720 ( -4.759 -2.748 -5.614) 7.856 9.517 ( -9.155 -5.286 4.481) 11.482 10.532 ( 0.821 0.474 0.166) 0.962 13.868 ( -2.921 -1.686 -0.806) 3.468 13.939 ( -4.639 -2.678 0.008) 5.356======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 12.559 7.251 11.576) 18.555 1.945 ( 12.690 7.327 2.040) 14.795 2.074 ( 8.609 4.970 -2.733) 10.309 3.126 ( 11.102 6.410 1.889) 12.958 3.388 ( 23.293 13.448 6.522) 27.676 3.581 ( -3.278 -1.893 -13.212) 13.743 5.372 ( 3.454 1.994 4.253) 5.830 5.776 ( -2.206 -1.274 -8.820) 9.180 6.027 ( 8.261 4.770 2.574) 9.880 6.433 ( -2.400 -1.386 -3.532) 4.490 7.051 ( 6.139 3.544 1.045) 7.165 7.267 ( 4.718 2.724 1.867) 5.759 7.960 ( -1.328 -0.767 2.807) 3.199 8.684 ( 2.016 1.164 1.449) 2.742 9.324 ( -7.737 -4.467 -0.421) 8.943 10.508 ( -3.209 -1.853 0.233) 3.713 13.827 ( -4.835 -2.791 -0.010) 5.583 13.853 ( 1.961 1.132 -0.594) 2.341======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 10.885 6.284 10.757) 16.543 2.149 ( 5.299 3.060 -0.606) 6.149 2.285 ( 9.637 5.564 -0.581) 11.143 3.167 ( -7.493 -4.326 0.725) 8.682 3.524 ( 4.238 2.447 -6.244) 7.933 3.916 ( 18.306 10.569 -0.045) 21.138 5.493 ( 4.412 2.547 3.436) 6.145 5.711 ( -0.760 -0.439 -6.477) 6.536 6.212 ( 5.920 3.418 1.848) 7.081 6.384 ( -0.191 -0.110 -1.509) 1.525 7.181 ( 4.904 2.831 -0.054) 5.663 7.362 ( 2.959 1.709 2.602) 4.295 7.873 ( -4.606 -2.660 -1.185) 5.449 8.757 ( 1.863 1.076 8.173) 8.451 9.173 ( -4.260 -2.460 -5.738) 7.558 10.392 ( -6.449 -3.723 0.243) 7.450 13.722 ( -4.190 -2.419 -0.022) 4.838 13.946 ( 5.655 3.265 -0.336) 6.539======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 8.163 4.713 9.559) 13.425 2.231 ( 2.403 1.387 -0.936) 2.928 2.474 ( 6.433 3.714 -0.095) 7.429 2.934 ( -10.301 -5.947 -3.695) 12.455 3.613 ( 3.601 2.079 -2.894) 5.066 4.251 ( 10.521 6.074 1.027) 12.192 5.510 ( -2.223 -1.283 -1.970) 3.236 5.763 ( 4.849 2.799 -0.144) 5.601 6.251 ( -1.035 -0.598 -1.074) 1.607 6.465 ( 5.216 3.012 1.896) 6.315 7.273 ( 3.012 1.739 -0.541) 3.519 7.417 ( 1.218 0.703 2.538) 2.902 7.785 ( -2.330 -1.345 -2.063) 3.390 8.788 ( -1.097 -0.633 8.840) 8.930 9.104 ( -0.433 -0.250 -7.149) 7.167 10.239 ( -6.140 -3.545 0.185) 7.092 13.639 ( -2.830 -1.634 -0.020) 3.267 14.082 ( 5.528 3.192 -0.149) 6.385======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( 3.677 2.123 4.695) 6.330 2.264 ( 0.719 0.415 -0.373) 0.910 2.575 ( 2.210 1.276 -0.028) 2.552 2.733 ( -5.071 -2.928 -2.776) 6.481 3.664 ( 1.214 0.701 -0.824) 1.626 4.411 ( 3.290 1.899 0.521) 3.834 5.456 ( -1.308 -0.755 -1.210) 1.936 5.853 ( 2.203 1.272 0.377) 2.572 6.224 ( -0.652 -0.376 -0.490) 0.898 6.561 ( 2.191 1.265 0.906) 2.687 7.317 ( 0.986 0.569 -0.304) 1.179 7.436 ( 0.185 0.107 1.029) 1.050 7.752 ( -0.431 -0.249 -0.894) 1.023 8.776 ( -0.886 -0.511 3.292) 3.448 9.094 ( 0.345 0.199 -2.735) 2.764 10.135 ( -2.484 -1.434 0.069) 2.870 13.595 ( -0.998 -0.576 -0.008) 1.152 14.176 ( 2.219 1.281 -0.040) 2.562======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.343 ( 0.000 8.684 31.282) 32.465 0.566 ( -0.000 27.526 -0.211) 27.527 1.005 ( -0.000 47.161 7.208) 47.709 1.453 ( -0.000 8.214 0.504) 8.230 1.625 ( -0.000 22.900 -2.417) 23.027 3.891 ( -0.000 -1.911 -3.674) 4.141 5.650 ( 0.000 2.045 0.994) 2.273 5.802 ( 0.000 -18.841 -1.335) 18.888 6.141 ( -0.000 -2.165 -11.547) 11.748 6.598 ( -0.000 1.812 -7.399) 7.618 6.638 ( 0.000 1.011 6.833) 6.908 6.708 ( -0.000 9.262 -5.950) 11.009 6.897 ( 0.000 24.696 8.302) 26.054 8.975 ( -0.000 2.142 -26.725) 26.810 9.913 ( 0.000 -13.334 29.531) 32.402 10.430 ( -0.000 2.106 -0.162) 2.113 14.083 ( 0.000 -4.035 0.291) 4.045 14.101 ( 0.000 -2.301 -0.020) 2.302======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.541 ( 4.464 7.185 27.810) 29.068 1.000 ( 15.388 21.778 2.425) 26.776 1.601 ( 5.230 11.984 -1.205) 13.131 1.668 ( 20.297 38.587 3.766) 43.761 2.018 ( 15.779 23.786 -0.877) 28.558 3.844 ( -1.480 -2.708 -5.589) 6.385 5.562 ( -6.117 -12.439 -1.022) 13.900 5.692 ( 1.563 2.802 1.576) 3.575 6.038 ( -5.513 -0.218 -8.749) 10.343 6.541 ( -2.275 -0.234 -5.008) 5.506 6.694 ( 3.065 1.273 5.124) 6.105 6.895 ( 7.909 8.289 -4.504) 12.311 7.302 ( 13.714 21.166 8.250) 26.535 8.893 ( -2.824 -3.643 -14.181) 14.911 9.799 ( -5.521 -9.897 15.774) 19.424 10.470 ( 1.829 2.605 -0.520) 3.225 13.971 ( -4.578 -7.282 0.075) 8.602 14.089 ( -0.695 -0.992 -0.247) 1.237======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.797 ( 9.160 6.973 21.631) 24.503 1.473 ( 14.403 18.581 3.118) 23.715 1.829 ( 6.204 13.414 -2.319) 14.960 2.420 ( 25.340 28.685 1.597) 38.308 2.553 ( 19.688 18.897 0.145) 27.290 3.752 ( -3.535 -3.780 -6.472) 8.287 5.381 ( -3.424 -6.006 0.719) 6.951 5.769 ( 3.272 2.243 -0.060) 3.968 5.938 ( -4.658 4.268 -7.123) 9.521 6.494 ( -1.131 -1.319 -4.163) 4.511 6.792 ( 6.197 -0.710 3.928) 7.371 7.083 ( 6.195 6.620 -2.531) 9.414 7.746 ( 12.563 14.164 8.634) 20.809 8.746 ( -4.678 -4.663 -8.338) 10.637 9.623 ( -7.898 -8.045 8.502) 14.120 10.532 ( 1.753 3.007 -0.601) 3.533 13.803 ( -3.638 -10.960 -0.212) 11.550 14.060 ( -3.056 2.593 -0.361) 4.024======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 11.476 7.634 16.716) 21.666 1.877 ( 10.728 16.617 2.481) 19.934 2.051 ( 4.649 13.182 -2.750) 14.246 3.010 ( 14.411 14.962 -0.056) 20.773 3.117 ( 25.232 17.962 1.366) 31.002 3.610 ( -5.887 -4.260 -7.306) 10.305 5.337 ( 2.027 -1.295 2.635) 3.568 5.776 ( -1.780 -0.596 -7.934) 8.153 5.993 ( 3.902 8.193 1.640) 9.221 6.447 ( -1.715 -0.978 -3.676) 4.172 6.908 ( 8.287 -3.450 2.865) 9.423 7.228 ( 4.766 4.381 -1.311) 6.605 7.997 ( 1.465 4.945 6.105) 7.992 8.651 ( 0.783 -1.473 -2.587) 3.078 9.423 ( -8.498 -5.988 3.054) 10.835 10.567 ( -1.745 3.233 -0.394) 3.695 13.644 ( 0.368 -14.306 -0.278) 14.313 14.047 ( -3.987 7.790 -0.367) 8.759======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 10.987 7.315 13.629) 18.972 2.153 ( 3.172 11.517 0.057) 11.946 2.267 ( 5.528 15.539 -1.174) 16.535 3.268 ( -1.754 5.752 2.274) 6.429 3.465 ( 1.505 0.098 -14.353) 14.432 3.683 ( 20.311 11.565 5.358) 23.979 5.422 ( 6.125 0.426 3.685) 7.160 5.703 ( -2.190 -1.696 -7.952) 8.420 6.172 ( 5.612 7.506 2.978) 9.834 6.402 ( -1.692 0.554 -2.776) 3.298 7.017 ( 9.211 -6.630 1.837) 11.497 7.330 ( 3.656 1.907 -0.141) 4.126 7.958 ( -6.625 -0.580 0.744) 6.692 8.717 ( 5.026 -0.109 5.317) 7.317 9.240 ( -7.088 -2.954 -2.597) 8.106 10.523 ( -7.226 3.777 -0.130) 8.155 13.533 ( 4.632 -16.828 -0.214) 17.455 14.087 ( -3.024 12.708 -0.306) 13.066======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( 8.733 5.389 11.154) 15.157 2.259 ( -0.591 7.627 -1.379) 7.773 2.504 ( 2.660 16.169 -0.108) 16.387 3.109 ( -12.855 0.924 -4.922) 13.796 3.570 ( 4.632 5.582 -5.962) 9.389 4.090 ( 15.029 5.341 4.400) 16.546 5.497 ( 0.859 -3.136 -0.269) 3.263 5.679 ( 4.620 -0.676 -2.475) 5.285 6.280 ( -0.820 2.662 -0.158) 2.790 6.439 ( 3.488 5.800 1.127) 6.861 7.098 ( 9.279 -10.011 0.809) 13.674 7.392 ( 2.545 -0.411 0.848) 2.714 7.836 ( -5.236 -1.144 -1.467) 5.557 8.795 ( 2.225 -1.972 9.248) 9.714 9.119 ( -3.568 0.297 -7.175) 8.019 10.408 ( -10.713 5.728 0.035) 12.148 13.461 ( 6.773 -17.452 -0.137) 18.721 14.185 ( -1.878 14.519 -0.214) 14.642======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 5.392 1.809 7.005) 9.024 2.293 ( -1.775 4.573 -1.329) 5.082 2.666 ( -2.296 15.173 -0.035) 15.345 2.906 ( -12.114 6.828 -5.179) 14.839 3.660 ( 1.469 4.456 -3.661) 5.951 4.330 ( 8.096 0.437 4.228) 9.144 5.439 ( -0.537 -4.541 -1.605) 4.846 5.776 ( 6.082 -1.990 0.430) 6.414 6.265 ( -2.478 2.424 -0.571) 3.513 6.563 ( 2.131 5.647 1.355) 6.186 7.142 ( 9.035 -13.065 0.142) 15.885 7.416 ( 1.415 -1.796 0.638) 2.374 7.763 ( -1.483 -1.125 -1.091) 2.157 8.802 ( -1.047 -1.654 5.347) 5.694 9.083 ( 0.093 1.016 -4.752) 4.860 10.293 ( -10.347 8.977 0.072) 13.699 13.416 ( 7.869 -16.676 -0.076) 18.439 14.287 ( -3.023 13.322 -0.140) 13.661======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( -0.446 -2.530 -1.225) 2.846 2.299 ( -1.604 3.564 0.263) 3.917 2.723 ( -7.480 12.974 0.010) 14.975 2.832 ( -6.309 12.993 -1.612) 14.534 3.692 ( -1.049 3.042 -2.304) 3.958 4.405 ( 1.266 -3.569 3.434) 5.111 5.413 ( 2.384 -3.265 0.842) 4.130 5.820 ( 2.506 -4.636 -0.137) 5.272 6.256 ( -1.693 3.246 0.365) 3.679 6.609 ( -2.300 3.271 -0.608) 4.045 7.155 ( 8.486 -14.700 0.103) 16.974 7.416 ( 0.965 -2.121 -0.843) 2.478 7.750 ( 0.835 -0.749 0.978) 1.489 8.776 ( -1.063 -0.397 -1.820) 2.144 9.097 ( 0.853 0.443 1.034) 1.411 10.246 ( -7.002 12.086 0.010) 13.968 13.401 ( 9.088 -15.714 -0.025) 18.153 14.330 ( -6.347 11.038 -0.088) 12.733======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -6.126 -4.206 -7.356) 10.456 2.304 ( -3.159 4.287 1.343) 5.492 2.666 ( -11.979 9.580 0.057) 15.339 2.930 ( 1.452 13.753 0.856) 13.856 3.673 ( -3.391 1.596 -0.645) 3.803 4.323 ( -5.383 -7.452 2.519) 9.532 5.457 ( 4.411 -1.542 2.782) 5.438 5.772 ( -1.210 -6.213 -0.595) 6.358 6.272 ( -0.721 3.475 1.265) 3.768 6.548 ( -6.161 0.646 -2.257) 6.594 7.141 ( 6.766 -14.681 -0.160) 16.166 7.405 ( 0.595 -2.038 -2.150) 3.021 7.780 ( 1.862 1.166 3.039) 3.750 8.751 ( 0.219 -0.784 -6.993) 7.040 9.124 ( 0.582 0.997 4.974) 5.106 10.293 ( -2.641 13.468 -0.102) 13.725 13.417 ( 10.522 -15.123 0.021) 18.423 14.288 ( -9.975 9.291 -0.029) 13.631======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( -10.000 -5.037 -8.632) 14.138 2.270 ( -6.579 4.468 1.169) 8.038 2.506 ( -15.233 5.806 0.189) 16.303 3.124 ( 5.171 11.142 -0.773) 12.308 3.604 ( -5.422 -0.256 1.756) 5.704 4.081 ( -12.617 -11.023 2.662) 16.964 5.497 ( -0.060 -3.381 -0.272) 3.392 5.702 ( 0.852 -2.933 3.083) 4.340 6.283 ( -3.142 1.421 0.402) 3.472 6.430 ( -5.324 0.530 -1.102) 5.463 7.091 ( 4.066 -13.831 -1.018) 14.452 7.379 ( -0.870 -1.704 -2.404) 3.073 7.857 ( 2.897 4.008 3.581) 6.106 8.722 ( 0.498 -2.491 -8.742) 9.104 9.171 ( 1.524 2.448 5.800) 6.477 10.407 ( 0.378 12.218 -0.227) 12.226 13.461 ( 11.743 -14.549 0.069) 18.697 14.186 ( -11.565 8.887 0.064) 14.585======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( -12.848 -6.396 -8.153) 16.506 2.151 ( -12.769 2.666 -0.474) 13.053 2.277 ( -15.212 3.223 1.393) 15.612 3.241 ( -4.195 4.149 -4.319) 7.312 3.521 ( -3.458 -0.197 -1.631) 3.828 3.696 ( -17.162 -12.621 9.390) 23.281 5.393 ( -3.913 -4.567 -3.358) 6.889 5.762 ( 3.504 0.908 6.625) 7.549 6.152 ( -9.527 -1.063 -1.991) 9.791 6.423 ( 1.012 1.882 2.372) 3.192 7.002 ( 1.253 -12.209 -1.857) 12.413 7.323 ( -3.350 -1.129 -1.919) 4.023 7.961 ( 1.969 4.938 1.496) 5.523 8.671 ( -0.160 -3.420 -5.735) 6.679 9.265 ( 4.436 3.563 3.254) 6.555 10.522 ( 0.360 8.308 -0.316) 8.321 13.534 ( 12.296 -12.400 0.145) 17.463 14.089 ( -9.423 8.962 0.175) 13.006======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( -14.057 -7.179 -7.563) 17.503 1.859 ( -20.276 -0.772 -2.012) 20.391 2.071 ( -13.534 2.174 2.198) 13.882 3.006 ( -19.223 -4.507 -1.290) 19.787 3.100 ( -28.453 -11.417 -2.546) 30.763 3.666 ( 5.943 1.069 6.220) 8.669 5.315 ( 0.250 -1.395 -2.714) 3.062 5.830 ( 0.856 -0.663 5.083) 5.197 5.989 ( -7.659 2.176 0.644) 7.988 6.473 ( 2.242 0.496 2.714) 3.555 6.886 ( -1.238 -9.472 -2.379) 9.844 7.228 ( -6.112 -0.640 -1.402) 6.304 7.960 ( -7.317 0.666 -2.877) 7.890 8.664 ( 3.938 -0.597 0.534) 4.019 9.409 ( 7.411 3.549 -0.253) 8.221 10.567 ( -1.889 3.391 -0.315) 3.894 13.647 ( 12.276 -7.541 0.245) 14.409 14.049 ( -4.719 7.342 0.230) 8.731======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( -13.447 -5.701 -6.460) 15.971 1.452 ( -23.934 -2.223 -2.007) 24.121 1.845 ( -14.508 0.484 1.559) 14.599 2.415 ( -37.622 -8.315 0.190) 38.530 2.547 ( -26.397 -6.259 -1.312) 27.160 3.787 ( 5.196 0.699 2.136) 5.661 5.373 ( 7.150 1.078 -1.228) 7.334 5.767 ( -4.685 -2.008 -0.084) 5.098 5.992 ( 0.753 4.668 5.381) 7.163 6.520 ( 2.634 -0.828 2.188) 3.523 6.765 ( -3.094 -5.431 -2.354) 6.680 7.091 ( -8.778 -0.330 -0.985) 8.839 7.696 ( -19.438 -3.128 -3.423) 19.983 8.793 ( 8.492 1.519 2.914) 9.105 9.577 ( 8.568 2.289 -2.280) 9.157 10.533 ( -3.483 0.314 -0.193) 3.502 13.805 ( 11.366 -2.551 0.248) 11.651 14.063 ( -0.715 3.924 0.179) 3.993======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.411 ( -12.165 -0.000 0.000) 12.165 0.990 ( -26.946 -0.000 0.000) 26.946 1.606 ( -12.658 -0.000 0.000) 12.658 1.652 ( -44.377 -0.000 0.000) 44.377 2.021 ( -28.529 -0.000 0.000) 28.529 3.866 ( 3.214 0.000 -0.000) 3.214 5.566 ( 14.061 0.000 -0.000) 14.061 5.685 ( -3.373 -0.000 0.000) 3.373 6.077 ( 4.665 0.000 -0.000) 4.665 6.565 ( 2.683 0.000 -0.000) 2.683 6.669 ( -3.900 -0.000 0.000) 3.900 6.916 ( -10.737 -0.000 0.000) 10.737 7.264 ( -26.126 -0.000 0.000) 26.126 8.958 ( 8.160 0.000 -0.000) 8.160 9.727 ( 7.462 0.000 -0.000) 7.462 10.472 ( -3.271 -0.000 0.000) 3.271 13.971 ( 8.589 0.000 -0.000) 8.589 14.090 ( 1.203 0.000 -0.000) 1.203======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.689 ( 0.000 10.122 27.749) 29.537 1.086 ( -0.000 24.439 -0.388) 24.442 1.668 ( -0.000 12.065 0.605) 12.080 1.941 ( -0.000 42.256 5.980) 42.677 2.151 ( -0.000 28.975 -3.802) 29.224 3.813 ( -0.000 -2.707 -7.180) 7.673 5.474 ( 0.000 -12.588 -1.910) 12.732 5.722 ( 0.000 4.476 1.697) 4.787 6.042 ( -0.000 -3.400 -2.926) 4.486 6.578 ( -0.000 -0.631 -3.700) 3.753 6.732 ( 0.000 5.463 2.742) 6.112 6.867 ( -0.000 9.592 -7.025) 11.890 7.427 ( -0.000 22.813 6.765) 23.795 8.843 ( -0.000 -4.340 -11.904) 12.670 9.772 ( 0.000 -12.210 14.528) 18.978 10.476 ( -0.000 2.503 -1.241) 2.794 13.980 ( 0.000 -5.855 0.259) 5.860 14.035 ( 0.000 -4.197 -0.037) 4.197======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( 0.940 10.533 25.161) 27.293 1.440 ( 12.045 20.933 0.570) 24.157 1.857 ( 6.266 13.102 -0.072) 14.524 2.443 ( 9.960 34.545 2.806) 36.061 2.511 ( 9.763 25.697 -2.673) 27.619 3.749 ( -2.033 -2.680 -6.940) 7.712 5.350 ( -1.208 -7.503 -1.515) 7.749 5.777 ( 0.189 4.714 1.254) 4.882 6.003 ( -0.789 -0.013 -3.720) 3.803 6.514 ( -3.394 -0.410 -2.745) 4.385 6.772 ( -1.315 3.978 2.933) 5.114 7.021 ( 6.899 7.123 -5.993) 11.587 7.738 ( 8.527 16.988 7.350) 20.379 8.741 ( -2.847 -5.161 -7.764) 9.748 9.655 ( -3.667 -10.907 9.931) 15.200 10.518 ( 2.492 2.485 -1.547) 3.845 13.809 ( -8.152 -8.558 0.165) 11.820 14.062 ( 3.592 -1.277 -0.269) 3.822======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 5.767 10.298 21.217) 24.279 1.865 ( 12.780 18.809 1.392) 22.783 2.106 ( 5.998 14.272 -1.038) 15.516 2.906 ( 14.540 16.404 -4.416) 22.361 2.985 ( 13.665 24.963 1.059) 28.478 3.655 ( -4.444 -1.146 -4.469) 6.405 5.294 ( 1.041 -2.527 -0.063) 2.734 5.794 ( -2.144 1.212 -4.340) 4.991 6.031 ( 1.887 6.382 -0.261) 6.660 6.463 ( -1.790 0.106 -2.139) 2.791 6.794 ( 1.425 -0.960 3.542) 3.936 7.173 ( 5.474 4.323 -4.630) 8.372 8.025 ( 5.328 8.380 7.200) 12.266 8.627 ( -1.957 -3.538 -3.786) 5.540 9.491 ( -6.031 -8.424 4.904) 11.462 10.595 ( 2.798 3.541 -1.319) 4.702 13.567 ( -7.176 -12.027 -0.019) 14.005 14.122 ( 2.102 3.824 -0.376) 4.380======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 8.526 8.949 17.050) 21.059 2.224 ( 6.053 15.202 0.962) 16.391 2.346 ( 5.547 17.636 -1.440) 18.544 3.263 ( 13.858 7.942 -8.721) 18.198 3.369 ( 5.749 8.270 -6.131) 11.792 3.616 ( 1.300 10.002 6.664) 12.089 5.333 ( 4.445 -0.320 1.638) 4.748 5.718 ( -3.879 -1.602 -7.287) 8.409 6.174 ( 4.627 8.164 2.613) 9.741 6.433 ( -1.734 1.436 -2.380) 3.276 6.824 ( 4.832 -6.149 3.792) 8.691 7.273 ( 4.064 1.383 -3.214) 5.363 8.073 ( -5.519 0.286 2.439) 6.041 8.632 ( 4.754 -1.078 3.369) 5.926 9.318 ( -6.461 -5.163 -0.300) 8.276 10.658 ( -1.195 6.022 -0.801) 6.191 13.341 ( -2.610 -15.376 -0.163) 15.597 14.214 ( 1.280 8.938 -0.317) 9.035======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( 8.042 5.925 13.128) 16.496 2.370 ( -1.409 9.734 -1.412) 9.936 2.647 ( 4.534 21.781 -0.207) 22.249 3.304 ( -6.212 2.414 -13.169) 14.760 3.534 ( 5.802 10.398 -1.958) 12.067 3.909 ( 12.791 7.464 7.871) 16.771 5.418 ( 4.605 -2.398 1.405) 5.378 5.616 ( -1.462 -3.298 -5.410) 6.502 6.310 ( 1.409 3.413 1.104) 3.854 6.454 ( 2.126 6.027 -0.079) 6.391 6.852 ( 6.317 -9.667 2.742) 11.869 7.329 ( 3.299 -1.342 -1.549) 3.884 7.931 ( -7.988 -2.588 -0.827) 8.437 8.727 ( 5.169 -2.514 7.975) 9.831 9.175 ( -4.960 -1.697 -4.992) 7.239 10.662 ( -7.313 9.999 -0.340) 12.393 13.177 ( 3.204 -18.198 -0.214) 18.479 14.338 ( 0.580 12.293 -0.224) 12.309======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 5.514 1.342 8.393) 10.131 2.399 ( -3.544 6.809 -2.152) 7.972 2.903 ( -1.230 22.937 -0.075) 22.970 3.192 ( -10.268 11.250 -9.150) 17.769 3.687 ( 1.723 8.773 -3.379) 9.558 4.177 ( 10.759 0.255 7.606) 13.179 5.391 ( -0.941 -6.149 -1.887) 6.500 5.628 ( 6.383 -4.244 -0.074) 7.665 6.319 ( -0.823 0.420 -0.561) 1.080 6.592 ( 3.311 7.680 2.056) 8.613 6.858 ( 6.271 -11.870 0.819) 13.449 7.356 ( 2.684 -3.143 -0.214) 4.139 7.780 ( -4.419 -4.153 -1.564) 6.263 8.782 ( 2.236 -3.658 7.307) 8.472 9.093 ( -1.897 0.575 -6.017) 6.335 10.618 ( -11.403 14.686 -0.083) 18.594 13.083 ( 7.725 -19.850 -0.186) 21.301 14.463 ( -1.133 13.005 -0.159) 13.055======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( 1.805 -3.025 1.621) 3.878 2.397 ( -3.373 6.566 -0.538) 7.401 3.049 ( -8.286 22.084 -0.009) 23.588 3.137 ( -10.248 17.433 -6.066) 21.112 3.757 ( -1.604 7.343 -3.710) 8.382 4.316 ( 5.493 -4.951 7.329) 10.411 5.328 ( 1.796 -5.632 0.121) 5.912 5.683 ( 5.845 -7.347 0.111) 9.389 6.311 ( -0.221 0.311 0.306) 0.489 6.691 ( -1.242 6.360 0.127) 6.481 6.845 ( 7.139 -13.362 0.121) 15.150 7.359 ( 1.864 -3.831 -0.653) 4.310 7.704 ( 1.157 -4.558 0.095) 4.704 8.773 ( -0.401 -3.091 1.039) 3.285 9.085 ( 0.921 0.794 -1.407) 1.860 10.577 ( -11.983 18.409 -0.000) 21.966 13.042 ( 10.515 -20.123 -0.116) 22.705 14.543 ( -4.254 11.683 -0.125) 12.434======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.836 ( -2.556 -4.297 -4.259) 6.568 2.416 ( -2.683 6.909 1.727) 7.610 3.050 ( -14.947 18.237 0.045) 23.579 3.153 ( -7.351 18.810 -4.029) 20.593 3.766 ( -3.823 5.906 -3.140) 7.704 4.305 ( -0.785 -9.054 6.399) 11.115 5.350 ( 5.400 -3.554 2.745) 7.023 5.677 ( 3.053 -9.018 -0.693) 9.546 6.321 ( 0.378 0.833 1.568) 1.815 6.664 ( -5.663 2.243 -2.915) 6.753 6.848 ( 7.222 -12.089 0.268) 14.085 7.347 ( 1.876 -3.812 -1.918) 4.661 7.728 ( 4.763 -2.158 2.888) 5.974 8.725 ( -0.912 -2.811 -4.275) 5.197 9.120 ( 1.851 0.754 2.480) 3.185 10.577 ( -9.972 19.607 -0.012) 21.997 13.042 ( 12.237 -19.114 -0.039) 22.695 14.543 ( -7.939 9.551 -0.095) 12.420======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( -7.147 -4.024 -6.178) 10.268 2.433 ( -4.402 6.670 2.021) 8.243 2.904 ( -19.218 12.558 0.082) 22.958 3.233 ( -2.714 16.289 -3.719) 16.927 3.722 ( -6.327 3.560 -1.049) 7.335 4.147 ( -6.999 -11.826 5.315) 14.734 5.429 ( 4.503 -2.865 2.585) 5.930 5.629 ( 2.547 -6.792 0.048) 7.254 6.340 ( -0.427 1.097 2.054) 2.368 6.554 ( -7.469 1.255 -2.512) 7.980 6.838 ( 6.106 -12.653 -1.666) 14.148 7.341 ( 1.756 -2.880 -2.008) 3.926 7.830 ( 5.706 1.845 4.384) 7.429 8.667 ( -0.428 -3.501 -6.584) 7.469 9.173 ( 2.129 1.195 3.610) 4.358 10.618 ( -7.019 17.337 -0.072) 18.704 13.085 ( 13.376 -16.559 0.025) 21.287 14.464 ( -10.625 7.508 -0.046) 13.010======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( -11.724 -4.036 -5.372) 13.512 2.389 ( -8.775 5.633 1.018) 10.477 2.652 ( -20.759 7.029 0.284) 21.919 3.344 ( -0.828 12.250 -5.830) 13.592 3.610 ( -7.744 -0.656 1.816) 7.981 3.863 ( -13.407 -11.987 5.388) 18.774 5.396 ( -2.473 -4.858 -1.311) 5.607 5.692 ( 6.743 -0.530 3.578) 7.652 6.296 ( -6.778 0.292 -0.475) 6.800 6.466 ( -3.240 2.411 1.336) 4.254 6.804 ( 5.163 -11.982 -2.892) 13.364 7.332 ( 0.134 -1.592 -1.403) 2.126 7.969 ( 4.572 4.586 3.873) 7.545 8.608 ( 0.294 -4.148 -6.092) 7.375 9.239 ( 2.998 1.670 2.810) 4.435 10.663 ( -4.930 11.608 -0.138) 12.612 13.180 ( 14.187 -11.865 0.069) 18.495 14.340 ( -10.840 5.661 0.021) 12.229======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( -15.014 -3.341 -3.327) 15.737 2.211 ( -17.767 2.443 -0.508) 17.941 2.366 ( -16.886 3.208 0.941) 17.214 3.280 ( -15.060 1.654 -3.170) 15.478 3.453 ( -20.475 -2.945 -4.143) 21.096 3.592 ( 2.923 -3.299 8.386) 9.474 5.309 ( -2.120 -2.031 -1.300) 3.211 5.803 ( 4.126 0.317 2.715) 4.949 6.151 ( -8.955 0.973 -0.305) 9.013 6.467 ( -0.292 1.150 1.564) 1.963 6.772 ( 3.293 -7.327 -2.087) 8.300 7.298 ( -2.745 -0.539 -0.707) 2.885 8.057 ( -1.218 2.976 0.982) 3.363 8.583 ( 2.828 -2.378 -2.338) 4.373 9.329 ( 5.040 1.449 1.012) 5.341 10.664 ( -4.455 4.530 -0.138) 6.355 13.343 ( 14.628 -5.521 0.076) 15.635 14.217 ( -8.285 3.348 0.063) 8.936======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( -15.692 -0.000 0.000) 15.692 1.854 ( -23.027 -0.000 0.000) 23.027 2.115 ( -15.199 -0.000 0.000) 15.199 2.942 ( -23.045 -0.000 0.000) 23.045 2.977 ( -29.941 -0.000 0.000) 29.941 3.692 ( 6.306 0.000 -0.000) 6.306 5.294 ( 1.976 0.000 -0.000) 1.976 5.827 ( -2.135 -0.000 0.000) 2.135 6.043 ( -3.754 -0.000 0.000) 3.754 6.481 ( 1.353 0.000 -0.000) 1.353 6.762 ( -0.038 -0.000 0.000) 0.038 7.218 ( -6.031 -0.000 0.000) 6.031 7.958 ( -11.661 -0.000 0.000) 11.661 8.661 ( 7.192 0.000 -0.000) 7.192 9.447 ( 7.358 0.000 -0.000) 7.358 10.606 ( -4.318 -0.000 0.000) 4.318 13.567 ( 13.959 0.000 -0.000) 13.959 14.125 ( -4.318 -0.000 0.000) 4.318======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 0.000 11.261 23.762) 26.295 1.535 ( -0.000 20.544 -0.572) 20.552 1.912 ( -0.000 11.482 0.316) 11.487 2.657 ( -0.000 23.552 -6.107) 24.331 2.739 ( -0.000 32.717 3.785) 32.935 3.734 ( -0.000 -0.180 -6.088) 6.091 5.288 ( -0.000 -4.759 -2.066) 5.188 5.847 ( -0.000 6.986 1.973) 7.259 5.972 ( -0.000 -2.675 -1.621) 3.128 6.535 ( -0.000 -1.993 -2.288) 3.034 6.875 ( -0.000 7.538 1.183) 7.630 7.004 ( -0.000 7.520 -6.077) 9.669 7.839 ( 0.000 14.099 6.360) 15.467 8.697 ( -0.000 -4.962 -5.745) 7.591 9.597 ( 0.000 -11.212 8.731) 14.210 10.503 ( -0.000 0.718 -1.928) 2.058 13.879 ( 0.000 -3.653 -0.107) 3.654 13.938 ( 0.000 -5.352 -0.047) 5.352======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 0.206 11.033 21.527) 24.190 1.831 ( 10.882 17.740 -0.199) 20.813 2.101 ( 7.937 11.017 0.236) 13.580 2.881 ( 5.192 14.691 -8.462) 17.731 3.082 ( 4.975 23.747 0.832) 24.277 3.725 ( -2.275 5.684 -1.822) 6.388 5.260 ( 0.535 -0.410 -1.584) 1.722 5.856 ( -4.100 1.775 -1.938) 4.869 6.021 ( 4.857 3.872 0.673) 6.248 6.490 ( -1.516 -0.948 -1.416) 2.281 6.875 ( -6.439 4.847 1.671) 8.231 7.116 ( 4.688 5.515 -5.371) 9.013 8.026 ( 5.363 7.640 6.675) 11.475 8.618 ( -1.988 -3.867 -3.418) 5.531 9.488 ( -2.608 -9.452 5.308) 11.150 10.538 ( 4.450 0.047 -1.730) 4.775 13.649 ( -12.732 -7.045 -0.055) 14.551 14.048 ( 8.572 0.392 -0.314) 8.587======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( 3.641 9.515 18.494) 21.115 2.211 ( 12.373 14.200 0.508) 18.841 2.376 ( 9.508 13.492 -0.116) 16.506 3.060 ( 8.880 2.577 -13.854) 16.656 3.371 ( 6.930 13.594 -1.288) 15.313 3.782 ( -3.103 14.566 4.982) 15.704 5.287 ( 1.684 1.928 -0.345) 2.583 5.766 ( -5.188 -1.326 -5.192) 7.458 6.171 ( 5.269 6.796 1.848) 8.795 6.473 ( -0.720 1.519 -0.917) 1.915 6.792 ( -5.124 -1.107 3.256) 6.172 7.213 ( 3.358 2.368 -4.593) 6.163 8.140 ( -0.394 0.180 4.132) 4.155 8.570 ( 1.285 -1.615 1.417) 2.504 9.353 ( -4.395 -6.609 0.767) 7.974 10.645 ( 6.805 1.833 -1.199) 7.149 13.342 ( -12.181 -9.986 -0.119) 15.752 14.213 ( 7.040 5.528 -0.333) 8.957======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 5.379 5.903 14.576) 16.621 2.454 ( 2.640 7.961 -0.427) 8.398 2.728 ( 11.063 19.877 -0.273) 22.750 3.186 ( 10.755 -1.682 -17.753) 20.824 3.597 ( 4.864 11.758 0.710) 12.744 3.920 ( -0.139 13.688 8.132) 15.923 5.340 ( 2.476 0.434 0.471) 2.558 5.631 ( -5.527 -3.512 -5.124) 8.315 6.313 ( 2.253 3.593 1.118) 4.386 6.485 ( 0.124 4.768 -0.688) 4.819 6.728 ( 0.791 -4.820 4.391) 6.568 7.258 ( 2.385 -0.731 -3.305) 4.140 8.039 ( -7.840 -4.214 -0.134) 8.902 8.632 ( 4.987 -1.689 6.749) 8.560 9.220 ( -4.476 -3.482 -3.399) 6.611 10.784 ( 4.106 6.480 -0.661) 7.700 13.047 ( -7.800 -13.456 -0.197) 15.554 14.395 ( 5.315 9.108 -0.243) 10.548======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( 4.375 0.737 9.470) 10.458 2.510 ( -2.104 5.653 -2.238) 6.433 3.102 ( 6.437 22.983 -0.120) 23.868 3.309 ( 5.886 5.970 -16.178) 18.221 3.776 ( 1.003 12.769 1.755) 12.928 4.073 ( 4.064 4.725 8.978) 10.929 5.346 ( -0.758 -4.244 -1.214) 4.479 5.515 ( -0.187 -5.064 -1.348) 5.243 6.289 ( -1.286 -5.945 -0.616) 6.114 6.602 ( 4.303 7.020 1.697) 8.407 6.741 ( 2.234 -0.972 2.551) 3.528 7.271 ( 2.436 -3.296 -1.616) 4.405 7.834 ( -8.328 -6.520 -1.662) 10.707 8.709 ( 3.952 -3.231 7.397) 8.988 9.120 ( -2.918 -0.790 -5.384) 6.174 10.899 ( -2.297 13.274 -0.280) 13.474 12.815 ( -0.744 -17.598 -0.228) 17.615 14.567 ( 2.954 10.449 -0.163) 10.860======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 2.215 -3.418 3.278) 5.228 2.518 ( -2.785 6.221 -1.196) 6.920 3.383 ( -1.318 22.879 -2.020) 23.006 3.411 ( -2.278 16.032 -10.917) 19.529 3.885 ( -3.029 11.667 -0.292) 12.057 4.188 ( 5.189 -3.780 10.139) 12.001 5.258 ( -0.985 -5.807 -0.737) 5.936 5.501 ( 4.897 -8.524 0.438) 9.840 6.208 ( 3.070 -11.665 -0.144) 12.063 6.729 ( 1.991 4.352 2.072) 5.216 6.781 ( -0.741 5.497 -0.270) 5.553 7.274 ( 2.699 -4.639 -0.497) 5.390 7.646 ( -3.111 -8.360 -1.381) 9.026 8.734 ( 1.280 -3.911 3.693) 5.530 9.080 ( -0.284 0.685 -3.286) 3.368 10.966 ( -8.770 19.541 -0.081) 21.419 12.673 ( 6.652 -20.924 -0.192) 21.957 14.692 ( -0.401 9.730 -0.119) 9.739======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 0.062 -4.303 -1.558) 4.576 2.536 ( -2.553 6.465 0.896) 7.009 3.467 ( -6.977 18.671 -9.822) 22.221 3.500 ( -12.215 21.546 0.035) 24.768 3.911 ( -5.013 9.228 -2.820) 10.874 4.215 ( 2.102 -9.730 10.527) 14.489 5.232 ( 3.877 -4.209 1.754) 5.985 5.495 ( 5.546 -10.801 -0.313) 12.145 6.179 ( 7.840 -12.617 0.684) 14.870 6.747 ( -4.261 4.170 -0.898) 6.029 6.814 ( -2.764 5.104 0.087) 5.805 7.261 ( 2.016 -5.145 -1.643) 5.765 7.593 ( 5.982 -6.391 1.477) 8.878 8.701 ( -0.826 -3.523 -1.068) 3.772 9.098 ( 1.708 0.757 0.199) 1.878 10.988 ( -12.424 21.556 -0.014) 24.880 12.626 ( 12.140 -20.870 -0.108) 24.145 14.739 ( -4.427 7.730 -0.093) 8.908======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( -3.050 -3.278 -3.354) 5.594 2.557 ( -2.527 5.264 1.747) 6.095 3.387 ( -20.138 13.720 -0.006) 24.367 3.496 ( -8.262 17.868 -7.530) 21.077 3.887 ( -6.723 6.906 -2.506) 9.959 4.121 ( -2.471 -13.013 8.770) 15.886 5.309 ( 6.914 -1.904 3.084) 7.806 5.480 ( 5.012 -9.116 -1.149) 10.466 6.229 ( 9.582 -8.816 1.352) 13.091 6.681 ( -6.783 3.041 -1.510) 7.585 6.769 ( -5.161 0.583 -1.149) 5.319 7.257 ( 3.392 -3.698 -1.632) 5.277 7.707 ( 9.795 -1.391 3.068) 10.358 8.639 ( -1.679 -3.039 -3.292) 4.785 9.146 ( 2.553 0.540 1.566) 3.044 10.967 ( -12.477 17.437 -0.014) 21.441 12.675 ( 14.888 -16.139 -0.026) 21.958 14.693 ( -8.168 5.257 -0.061) 9.714======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( -7.792 -1.906 -2.483) 8.397 2.549 ( -4.216 3.144 1.070) 5.367 3.104 ( -23.042 5.844 0.060) 23.772 3.508 ( -5.488 12.496 -5.899) 14.869 3.775 ( -10.631 0.084 1.611) 10.753 3.944 ( -6.503 -8.854 4.044) 11.706 5.371 ( 0.870 -2.697 0.428) 2.866 5.541 ( 9.385 -2.114 0.759) 9.650 6.317 ( 5.430 -2.659 1.163) 6.158 6.582 ( -6.560 1.850 0.172) 6.818 6.670 ( -2.924 -3.458 -2.453) 5.150 7.286 ( 2.875 -1.364 -0.781) 3.276 7.888 ( 9.361 1.434 2.441) 9.780 8.573 ( -1.626 -2.329 -2.964) 4.106 9.203 ( 2.997 0.427 1.212) 3.260 10.902 ( -10.178 8.812 -0.027) 13.462 12.819 ( 15.642 -8.125 0.015) 17.626 14.569 ( -10.450 2.725 -0.021) 10.800======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( -12.612 -0.000 0.000) 12.612 2.457 ( -9.126 -0.000 0.000) 9.126 2.732 ( -22.420 -0.000 0.000) 22.420 3.531 ( 0.798 0.000 -0.000) 0.798 3.547 ( -13.722 -0.000 0.000) 13.722 3.737 ( -13.491 -0.000 0.000) 13.491 5.337 ( -2.281 -0.000 0.000) 2.281 5.698 ( 8.341 0.000 -0.000) 8.341 6.299 ( -6.452 -0.000 0.000) 6.452 6.512 ( -3.376 -0.000 0.000) 3.376 6.650 ( 4.418 0.000 -0.000) 4.418 7.311 ( 0.574 0.000 -0.000) 0.574 8.038 ( 5.565 0.000 -0.000) 5.565 8.537 ( 0.040 0.000 -0.000) 0.040 9.264 ( 3.612 0.000 -0.000) 3.612 10.793 ( -7.303 -0.000 0.000) 7.303 13.050 ( 15.515 0.000 -0.000) 15.515 14.398 ( -10.464 -0.000 0.000) 10.464======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.374 ( 0.000 9.140 19.880) 21.880 1.895 ( -0.000 15.573 -0.828) 15.595 2.121 ( -0.000 9.467 0.021) 9.468 2.928 ( -0.000 6.938 -10.649) 12.709 3.240 ( -0.000 15.145 -1.759) 15.246 3.848 ( -0.000 14.886 2.230) 15.053 5.267 ( -0.000 3.697 -1.805) 4.114 5.909 ( -0.000 -2.786 -1.649) 3.238 6.015 ( -0.000 8.517 1.796) 8.704 6.475 ( -0.000 -2.859 -1.431) 3.197 7.036 ( -0.000 7.878 0.449) 7.891 7.103 ( -0.000 5.213 -4.312) 6.765 8.052 ( 0.000 4.015 6.664) 7.780 8.591 ( -0.000 -3.405 -3.012) 4.546 9.431 ( 0.000 -8.520 4.037) 9.428 10.470 ( -0.000 -3.218 -1.498) 3.550 13.827 ( 0.000 -5.566 -0.048) 5.566 13.856 ( -0.000 1.779 -0.494) 1.846======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 0.600 7.085 17.496) 18.886 2.128 ( 10.305 11.544 -0.575) 15.485 2.309 ( 9.986 10.203 0.278) 14.279 2.941 ( 2.179 -1.358 -13.774) 14.011 3.382 ( 4.121 8.696 -2.322) 9.899 4.017 ( -2.260 19.364 5.223) 20.183 5.315 ( -0.244 6.203 -1.188) 6.320 5.830 ( -4.663 -2.042 -2.657) 5.743 6.153 ( 4.634 7.379 1.652) 8.869 6.459 ( 1.717 -1.689 -0.435) 2.448 6.975 ( -11.164 4.353 0.853) 12.013 7.188 ( 2.172 4.170 -3.488) 5.854 8.123 ( 2.632 -0.709 5.614) 6.241 8.549 ( -0.144 -2.146 -0.908) 2.334 9.345 ( -2.052 -6.353 0.988) 6.749 10.493 ( 7.494 -3.746 -0.991) 8.436 13.533 ( -16.866 -4.606 -0.212) 17.484 14.085 ( 12.461 3.517 -0.378) 12.953======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 2.503 4.126 14.202) 14.999 2.415 ( 10.025 6.526 0.746) 11.986 2.659 ( 15.789 14.065 0.091) 21.146 2.937 ( 7.292 -4.233 -16.577) 18.598 3.561 ( 8.338 6.261 -0.855) 10.462 4.160 ( -4.824 17.589 6.280) 19.289 5.360 ( -1.324 5.207 -0.535) 5.399 5.699 ( -6.724 -2.721 -3.286) 7.963 6.307 ( 4.129 5.627 0.866) 7.033 6.504 ( 3.330 1.406 0.590) 3.663 6.788 ( -11.252 -0.594 2.350) 11.510 7.228 ( 0.432 1.366 -2.975) 3.302 8.096 ( -3.874 -5.284 1.009) 6.629 8.566 ( 3.160 -0.713 4.347) 5.422 9.243 ( -3.424 -3.806 -2.352) 5.634 10.648 ( 12.892 -0.965 -0.564) 12.940 13.176 ( -17.364 -6.461 -0.231) 18.529 14.334 ( 10.429 6.511 -0.282) 12.297======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 2.503 -0.178 9.541) 9.866 2.558 ( 1.546 3.532 -1.046) 3.995 3.079 ( 15.812 -0.049 -14.346) 21.350 3.105 ( 16.567 17.223 -0.068) 23.898 3.782 ( 9.812 5.797 0.701) 11.418 4.230 ( -6.785 12.963 6.697) 16.092 5.355 ( -3.117 1.259 -0.891) 3.478 5.534 ( -6.965 -4.062 -1.584) 8.217 6.317 ( -7.011 -2.485 -0.751) 7.477 6.600 ( 3.892 5.593 1.337) 6.944 6.700 ( 2.651 -0.133 3.159) 4.126 7.221 ( -0.285 -1.274 -1.992) 2.382 7.913 ( -8.833 -7.416 -1.553) 11.637 8.636 ( 3.707 -1.544 6.279) 7.453 9.148 ( -3.169 -1.468 -4.214) 5.473 10.895 ( 12.930 4.699 -0.300) 13.761 12.814 ( -14.826 -9.532 -0.235) 17.627 14.565 ( 7.722 7.686 -0.174) 10.896======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( 1.427 -3.437 4.043) 5.495 2.595 ( -0.374 4.016 -1.350) 4.253 3.342 ( 14.511 4.866 -12.016) 19.458 3.540 ( 11.274 19.656 -0.078) 22.660 3.996 ( 6.576 6.299 1.657) 9.256 4.222 ( -7.479 6.561 7.155) 12.255 5.264 ( -5.407 -2.622 -1.585) 6.215 5.396 ( -2.510 -6.628 1.028) 7.161 6.112 ( -6.556 -9.519 -0.485) 11.568 6.743 ( 4.404 6.423 1.548) 7.940 6.815 ( 4.724 5.235 1.473) 7.203 7.191 ( 0.558 -3.843 -0.756) 3.956 7.661 ( -9.328 -9.149 -2.246) 13.257 8.682 ( 2.055 -2.568 4.469) 5.549 9.090 ( -1.433 0.190 -3.527) 3.812 11.166 ( 7.537 12.956 -0.119) 14.990 12.484 ( -8.584 -15.031 -0.210) 17.311 14.744 ( 4.204 7.099 -0.106) 8.251======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 0.784 -3.600 0.135) 3.687 2.623 ( -1.011 4.107 0.054) 4.229 3.588 ( 8.610 9.916 -11.767) 17.633 3.838 ( -1.048 19.149 -0.119) 19.178 4.108 ( -4.618 8.699 -0.004) 9.849 4.149 ( -2.970 -4.530 9.903) 11.287 5.167 ( -1.047 -2.896 0.214) 3.087 5.311 ( 2.067 -9.835 0.592) 10.067 5.954 ( 1.479 -11.044 -0.050) 11.143 6.872 ( 1.032 8.081 0.998) 8.207 6.915 ( -2.117 6.995 0.080) 7.309 7.174 ( 2.128 -4.871 -0.487) 5.338 7.444 ( -0.931 -10.544 -1.052) 10.637 8.679 ( -0.124 -2.529 1.128) 2.772 9.083 ( 0.666 0.640 -1.158) 1.481 11.379 ( -4.526 21.382 -0.009) 21.856 12.247 ( 4.039 -21.534 -0.153) 21.910 14.843 ( -0.035 5.228 -0.067) 5.229======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.728 ( -0.301 -1.963 -1.065) 2.253 2.636 ( -1.647 2.593 0.632) 3.136 3.756 ( -2.032 15.896 -12.036) 20.042 3.839 ( -14.940 9.645 0.642) 17.795 3.991 ( -4.931 -7.450 6.212) 10.882 4.114 ( -5.273 0.156 4.118) 6.692 5.193 ( 5.371 0.104 1.688) 5.631 5.287 ( 5.810 -8.403 -0.803) 10.247 5.963 ( 9.559 -6.692 0.286) 11.672 6.871 ( -8.909 5.093 1.037) 10.314 6.894 ( -6.840 3.284 -1.290) 7.696 7.146 ( 3.816 -4.684 -1.390) 6.199 7.494 ( 12.080 -3.434 1.227) 12.619 8.642 ( -1.671 -1.555 -0.683) 2.383 9.112 ( 2.022 0.330 0.216) 2.060 11.379 ( -16.185 14.597 0.003) 21.795 12.249 ( 16.789 -14.111 -0.053) 21.931 14.844 ( -4.446 2.700 -0.035) 5.202======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( -3.193 -0.000 0.000) 3.193 2.618 ( -2.216 -0.000 0.000) 2.216 3.535 ( -22.318 -0.000 0.000) 22.318 3.716 ( -10.515 -0.000 0.000) 10.515 3.941 ( 1.205 0.000 -0.000) 1.205 3.972 ( -10.693 -0.000 0.000) 10.693 5.317 ( 4.292 0.000 -0.000) 4.292 5.353 ( 9.632 0.000 -0.000) 9.632 6.127 ( 12.025 0.000 -0.000) 12.025 6.728 ( -9.374 -0.000 0.000) 9.374 6.769 ( -7.701 -0.000 0.000) 7.701 7.209 ( 4.791 0.000 -0.000) 4.791 7.703 ( 12.416 0.000 -0.000) 12.416 8.595 ( -2.370 -0.000 0.000) 2.370 9.156 ( 2.742 0.000 -0.000) 2.742 11.169 ( -14.803 -0.000 0.000) 14.803 12.488 ( 17.360 0.000 -0.000) 17.360 14.746 ( -8.183 -0.000 0.000) 8.183======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 0.000 3.281 15.546) 15.889 2.129 ( -0.000 8.125 -1.143) 8.205 2.308 ( -0.000 9.441 0.037) 9.442 2.857 ( -0.000 -4.999 -13.329) 14.235 3.400 ( -0.000 4.389 -2.902) 5.262 4.252 ( -0.000 19.765 5.484) 20.511 5.395 ( -0.000 8.889 -1.070) 8.953 5.845 ( -0.000 -2.758 -1.149) 2.987 6.194 ( -0.000 8.154 1.034) 8.219 6.410 ( 0.000 -3.028 -0.486) 3.067 7.170 ( -0.000 3.379 -2.191) 4.027 7.186 ( -0.000 6.748 0.081) 6.748 8.097 ( 0.000 -2.196 5.972) 6.363 8.518 ( -0.000 -2.653 -1.960) 3.299 9.308 ( 0.000 -4.831 0.163) 4.834 10.363 ( 0.000 -6.487 -0.548) 6.510 13.721 ( 0.000 -4.816 -0.040) 4.816 13.937 ( -0.000 6.126 -0.604) 6.155======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 1.275 0.419 12.517) 12.589 2.285 ( 9.888 5.029 -0.147) 11.095 2.514 ( 12.494 9.587 0.066) 15.749 2.773 ( 1.592 -6.056 -13.905) 15.250 3.472 ( 5.428 2.299 -1.944) 6.207 4.425 ( -3.263 17.010 5.301) 18.113 5.464 ( -2.210 8.303 -0.780) 8.627 5.772 ( -4.790 -2.395 -1.228) 5.494 6.302 ( 3.119 6.486 0.028) 7.197 6.422 ( 4.479 -1.902 1.039) 4.976 7.054 ( -14.100 3.090 0.495) 14.443 7.248 ( -0.539 3.128 -1.449) 3.490 8.084 ( -0.567 -4.647 2.630) 5.370 8.514 ( 2.736 -1.497 0.887) 3.243 9.251 ( -1.912 -2.874 -1.540) 3.780 10.391 ( 10.657 -5.591 -0.214) 12.037 13.457 ( -18.581 -2.926 -0.194) 18.811 14.176 ( 13.697 5.381 -0.360) 14.721======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 1.767 -1.829 8.317) 8.697 2.512 ( 8.225 2.821 2.130) 8.953 2.771 ( 10.993 -3.265 -14.084) 18.162 2.908 ( 20.408 10.263 0.013) 22.843 3.625 ( 10.519 1.121 -0.450) 10.588 4.503 ( -6.641 13.036 4.661) 15.355 5.467 ( -5.287 5.349 -1.067) 7.596 5.633 ( -7.788 -2.570 -0.594) 8.223 6.398 ( 0.089 3.722 -1.317) 3.950 6.526 ( 7.752 -0.383 2.681) 8.212 6.800 ( -14.231 0.835 1.059) 14.295 7.240 ( -2.075 1.003 -1.022) 2.521 7.972 ( -6.150 -6.304 -0.936) 8.857 8.575 ( 3.980 -0.783 3.820) 5.572 9.179 ( -3.061 -1.207 -2.761) 4.295 10.611 ( 18.579 -2.134 -0.112) 18.701 13.079 ( -21.038 -3.346 -0.210) 21.304 14.456 ( 12.025 5.389 -0.197) 13.179======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( 0.726 -3.033 3.763) 4.888 2.604 ( 2.128 1.733 -0.592) 2.808 3.026 ( 19.978 0.566 -7.816) 21.460 3.391 ( 22.189 10.780 -0.018) 24.669 3.842 ( 12.880 0.477 0.653) 12.905 4.483 ( -9.462 8.650 3.643) 13.328 5.380 ( -8.241 1.907 -2.127) 8.722 5.458 ( -8.747 -3.455 1.476) 9.519 6.250 ( -15.194 -2.939 -0.595) 15.487 6.691 ( 9.503 2.083 1.990) 9.931 6.741 ( 3.949 2.764 0.563) 4.853 7.195 ( -3.093 -0.599 -0.397) 3.175 7.756 ( -10.529 -6.415 -1.865) 12.470 8.635 ( 2.630 -1.092 3.402) 4.437 9.116 ( -2.456 -0.100 -2.538) 3.533 10.964 ( 21.378 2.285 -0.070) 21.500 12.669 ( -21.367 -4.827 -0.169) 21.906 14.688 ( 8.817 4.440 -0.094) 9.872======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( 0.413 -2.093 0.753) 2.262 2.650 ( 1.159 1.630 -0.246) 2.016 3.363 ( 18.647 1.706 -4.529) 19.265 3.850 ( 17.286 9.965 -0.210) 19.954 4.043 ( 8.617 -1.058 1.430) 8.798 4.374 ( -11.203 4.220 2.073) 12.150 5.235 ( -7.974 0.625 -1.713) 8.180 5.282 ( -6.872 -4.842 1.926) 8.624 5.961 ( -11.273 -4.295 -0.217) 12.065 6.857 ( 6.076 3.390 0.553) 6.980 6.921 ( 10.995 3.923 0.616) 11.690 7.123 ( -3.329 -2.292 0.245) 4.049 7.485 ( -12.547 -5.705 -1.565) 13.872 8.660 ( 0.772 -0.997 1.362) 1.856 9.084 ( -0.707 0.264 -1.111) 1.343 11.379 ( 20.841 6.815 -0.009) 21.927 12.244 ( -20.517 -7.437 -0.102) 21.823 14.841 ( 4.696 2.524 -0.037) 5.331======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 0.551 0.000 -0.000) 0.551 2.667 ( -0.319 -0.000 0.000) 0.319 3.659 ( 14.475 0.000 -0.000) 14.475 4.051 ( -6.102 -0.000 0.000) 6.102 4.136 ( 6.345 0.000 -0.000) 6.345 4.194 ( -12.693 -0.000 0.000) 12.693 5.163 ( -0.608 -0.000 0.000) 0.608 5.170 ( -0.669 -0.000 0.000) 0.669 5.834 ( 0.178 0.000 -0.000) 0.178 6.972 ( 1.691 0.000 -0.000) 1.691 7.040 ( -0.793 -0.000 0.000) 0.793 7.100 ( -3.075 -0.000 0.000) 3.075 7.288 ( 2.764 0.000 -0.000) 2.764 8.655 ( -0.750 -0.000 0.000) 0.750 9.087 ( 0.927 0.000 -0.000) 0.927 11.811 ( -21.712 -0.000 0.000) 21.712 11.814 ( 21.877 0.000 -0.000) 21.877 14.896 ( 0.067 0.000 -0.000) 0.067======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 0.000 -2.814 9.993) 10.382 2.230 ( -0.000 3.263 -0.947) 3.398 2.480 ( -0.000 7.093 -0.007) 7.093 2.666 ( -0.000 -6.029 -11.059) 12.596 3.432 ( -0.000 0.847 -1.948) 2.124 4.624 ( 0.000 13.844 4.457) 14.543 5.569 ( -0.000 7.995 -0.675) 8.023 5.792 ( 0.000 -2.020 -0.156) 2.026 6.327 ( -0.000 3.119 -2.722) 4.139 6.367 ( 0.000 0.362 3.159) 3.180 7.217 ( -0.000 2.104 -0.382) 2.138 7.300 ( -0.000 4.510 -0.055) 4.511 8.053 ( 0.000 -3.968 2.750) 4.827 8.462 ( 0.000 -2.227 -0.687) 2.331 9.242 ( -0.000 -1.481 -1.237) 1.929 10.228 ( 0.000 -6.256 0.032) 6.256 13.639 ( 0.000 -3.250 -0.025) 3.250 14.065 ( -0.000 6.166 -0.445) 6.182======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 1.900 -3.364 6.238) 7.338 2.353 ( 10.718 2.050 0.687) 10.933 2.600 ( 1.976 -3.960 -9.284) 10.285 2.670 ( 14.190 5.365 -0.028) 15.171 3.483 ( 5.739 0.143 -0.998) 5.827 4.720 ( -3.679 9.583 3.270) 10.774 5.604 ( -3.722 5.543 -0.946) 6.743 5.728 ( -5.132 -1.650 0.304) 5.399 6.372 ( 5.032 0.528 -2.474) 5.632 6.427 ( 2.975 1.868 3.068) 4.663 7.104 ( -15.275 1.693 0.447) 15.375 7.294 ( -2.702 1.817 -0.267) 3.267 7.997 ( -2.986 -3.997 0.097) 4.991 8.493 ( 4.940 -1.132 1.033) 5.172 9.211 ( -2.060 -0.496 -1.378) 2.527 10.290 ( 13.011 -3.974 0.063) 13.604 13.412 ( -18.591 -1.534 -0.102) 18.654 14.273 ( 13.398 3.892 -0.215) 13.954======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 1.544 -2.062 2.430) 3.542 2.561 ( 4.596 0.785 2.774) 5.425 2.670 ( 17.070 -0.970 -7.060) 18.498 3.052 ( 23.354 3.835 -0.017) 23.667 3.626 ( 10.951 -0.267 -0.106) 10.955 4.706 ( -7.112 4.907 1.740) 8.814 5.543 ( -7.529 2.707 -1.735) 8.187 5.593 ( -8.543 -1.600 1.355) 8.797 6.448 ( -3.955 2.132 -1.912) 4.883 6.517 ( 9.430 -1.497 2.469) 9.862 6.824 ( -13.277 0.838 0.298) 13.307 7.254 ( -3.313 0.471 -0.048) 3.347 7.867 ( -7.723 -2.884 -0.817) 8.284 8.576 ( 4.364 -0.445 1.384) 4.599 9.159 ( -3.033 -0.071 -1.074) 3.219 10.577 ( 21.857 -1.023 0.004) 21.881 13.035 ( -22.717 -1.019 -0.082) 22.740 14.533 ( 12.509 2.091 -0.071) 12.682======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 0.342 0.000 -0.000) 0.342 2.621 ( 2.783 0.000 -0.000) 2.783 3.011 ( 21.170 0.000 -0.000) 21.170 3.506 ( 25.190 0.000 -0.000) 25.190 3.841 ( 13.199 0.000 -0.000) 13.199 4.584 ( -9.870 -0.000 0.000) 9.870 5.401 ( -9.654 -0.000 0.000) 9.654 5.419 ( -10.151 -0.000 0.000) 10.151 6.216 ( -18.295 -0.000 0.000) 18.295 6.714 ( 12.755 0.000 -0.000) 12.755 6.778 ( 3.852 0.000 -0.000) 3.852 7.190 ( -4.217 -0.000 0.000) 4.217 7.678 ( -11.825 -0.000 0.000) 11.825 8.633 ( 2.265 0.000 -0.000) 2.265 9.109 ( -2.247 -0.000 0.000) 2.247 10.987 ( 24.886 0.000 -0.000) 24.886 12.620 ( -24.088 -0.000 0.000) 24.088 14.733 ( 9.108 0.000 -0.000) 9.108======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 0.000 -2.660 3.293) 4.233 2.266 ( -0.000 0.911 -0.363) 0.981 2.536 ( -0.000 -2.325 -4.236) 4.832 2.577 ( -0.000 2.510 -0.013) 2.510 3.432 ( -0.000 0.083 -0.644) 0.649 4.832 ( 0.000 4.943 1.736) 5.239 5.681 ( -0.000 3.177 -0.605) 3.234 5.764 ( 0.000 -0.858 0.447) 0.967 6.312 ( -0.000 -0.639 -0.637) 0.902 6.431 ( 0.000 1.858 0.800) 2.023 7.248 ( -0.000 0.819 0.202) 0.843 7.362 ( -0.000 1.583 -0.037) 1.583 7.996 ( 0.000 -1.932 0.381) 1.969 8.427 ( 0.000 -0.957 -0.067) 0.959 9.226 ( -0.000 -0.040 -0.571) 0.572 10.136 ( 0.000 -2.575 0.073) 2.576 13.594 ( 0.000 -1.145 -0.009) 1.146 14.154 ( -0.000 2.497 -0.159) 2.502======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 2.212 0.000 -0.000) 2.212 2.377 ( 11.886 0.000 -0.000) 11.886 2.531 ( 1.461 0.000 -0.000) 1.461 2.725 ( 14.961 0.000 -0.000) 14.961 3.480 ( 5.611 0.000 -0.000) 5.611 4.827 ( -3.702 -0.000 0.000) 3.702 5.659 ( -4.178 -0.000 0.000) 4.178 5.711 ( -5.374 -0.000 0.000) 5.374 6.365 ( 6.270 0.000 -0.000) 6.270 6.460 ( 1.757 0.000 -0.000) 1.757 7.123 ( -15.590 -0.000 0.000) 15.590 7.312 ( -3.431 -0.000 0.000) 3.431 7.953 ( -3.848 -0.000 0.000) 3.848 8.484 ( 5.679 0.000 -0.000) 5.679 9.205 ( -2.188 -0.000 0.000) 2.188 10.248 ( 13.907 0.000 -0.000) 13.907 13.396 ( -18.418 -0.000 0.000) 18.418 14.313 ( 13.133 0.000 -0.000) 13.133======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.166 ( 0.000 -0.000 20.338) 20.338 0.166 ( 0.000 -0.000 20.338) 20.338 0.416 ( 0.000 -0.000 51.156) 51.156 1.360 ( -0.000 0.000 -1.294) 1.294 1.360 ( -0.000 0.000 -1.294) 1.294 3.964 ( -0.000 0.000 -5.363) 5.363 5.633 ( 0.000 -0.000 1.380) 1.380 5.633 ( 0.000 -0.000 1.380) 1.380 6.125 ( 0.000 -0.000 0.129) 0.129 6.539 ( -0.000 0.000 -7.876) 7.876 6.539 ( -0.000 0.000 -7.876) 7.876 6.664 ( 0.000 -0.000 6.611) 6.611 6.664 ( 0.000 -0.000 6.611) 6.611 8.459 ( -0.000 0.000 -0.415) 0.415 10.407 ( 0.000 -0.000 0.214) 0.214 10.670 ( 0.000 -0.000 0.169) 0.169 14.124 ( -0.000 0.000 -0.001) 0.001 14.124 ( -0.000 0.000 -0.001) 0.001======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( 4.927 2.845 36.755) 37.193 0.652 ( 22.604 13.051 9.497) 27.775 0.999 ( 38.656 22.318 7.986) 45.344 1.426 ( 6.409 3.700 -2.909) 7.951 1.645 ( 21.006 12.128 0.123) 24.257 3.867 ( -2.134 -1.232 -6.756) 7.192 5.656 ( 1.781 1.028 1.773) 2.716 5.803 ( -15.206 -8.779 -1.979) 17.669 5.977 ( 0.560 0.323 -19.330) 19.341 6.511 ( 0.176 0.102 -8.109) 8.112 6.713 ( 2.072 1.196 6.229) 6.673 6.735 ( 9.507 5.489 -3.442) 11.505 6.970 ( 21.498 12.412 10.966) 27.138 8.816 ( 7.714 4.454 -27.153) 28.577 10.089 ( -18.815 -10.863 30.824) 37.711 10.431 ( 1.856 1.071 0.017) 2.143 14.076 ( -3.824 -2.208 -0.334) 4.428 14.101 ( -1.984 -1.146 0.010) 2.291======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( 6.774 3.911 29.878) 30.885 1.173 ( 20.283 11.711 6.170) 24.220 1.615 ( 10.111 5.837 -3.639) 12.229 1.900 ( 37.113 21.427 2.844) 42.949 2.211 ( 25.748 14.865 1.136) 29.753 3.789 ( -3.136 -1.811 -8.987) 9.690 5.510 ( -9.496 -5.483 0.322) 10.970 5.730 ( 4.197 2.423 2.355) 5.388 5.872 ( -3.688 -2.129 -12.155) 12.879 6.491 ( -0.318 -0.184 -7.137) 7.147 6.799 ( 4.098 2.366 4.697) 6.667 6.948 ( 9.072 5.238 -2.547) 10.780 7.502 ( 20.411 11.785 11.234) 26.109 8.780 ( -3.398 -1.962 -14.897) 15.405 9.815 ( -12.431 -7.177 15.772) 21.326 10.485 ( 2.604 1.504 -0.544) 3.056 13.964 ( -5.185 -2.994 -0.741) 6.033 14.036 ( -3.632 -2.097 0.006) 4.194======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( 9.719 5.611 22.516) 25.158 1.615 ( 16.789 9.693 3.941) 19.783 1.844 ( 10.011 5.780 -3.632) 12.117 2.687 ( 28.382 16.386 0.424) 32.776 2.792 ( 25.214 14.558 2.032) 29.186 3.665 ( -5.508 -3.180 -9.381) 11.333 5.375 ( -2.359 -1.362 2.316) 3.575 5.772 ( -2.311 -1.334 -10.263) 10.604 5.865 ( 6.821 3.938 3.062) 8.451 6.454 ( -1.369 -0.791 -5.591) 5.810 6.923 ( 5.541 3.199 2.682) 6.937 7.131 ( 7.181 4.146 -1.477) 8.423 7.906 ( 10.435 6.025 10.330) 15.872 8.660 ( -2.368 -1.367 -8.908) 9.319 9.570 ( -11.597 -6.696 8.177) 15.691 10.530 ( 0.952 0.549 -0.630) 1.267 13.862 ( -2.886 -1.666 -0.842) 3.437 13.939 ( -4.643 -2.681 -0.012) 5.361======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( 10.895 6.290 17.556) 21.599 1.962 ( 11.867 6.852 2.109) 13.865 2.050 ( 9.171 5.295 -3.044) 11.018 3.137 ( 12.455 7.191 0.799) 14.404 3.397 ( 18.669 10.779 -9.340) 23.494 3.509 ( 0.028 0.016 0.451) 0.452 5.407 ( 3.845 2.220 4.119) 6.056 5.702 ( -1.725 -0.996 -9.239) 9.451 6.052 ( 8.244 4.760 3.522) 10.150 6.402 ( -1.858 -1.073 -4.149) 4.671 7.059 ( 5.660 3.268 1.035) 6.617 7.273 ( 5.326 3.075 -0.369) 6.161 7.992 ( -3.614 -2.086 4.761) 6.331 8.688 ( 5.287 3.053 -0.512) 6.127 9.331 ( -10.123 -5.844 2.078) 11.872 10.507 ( -3.076 -1.776 -0.388) 3.573 13.827 ( -4.838 -2.793 -0.029) 5.586 13.848 ( 2.056 1.187 -0.712) 2.479======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( 9.794 5.654 14.184) 18.140 2.142 ( 4.936 2.850 -1.050) 5.796 2.282 ( 9.988 5.766 -0.276) 11.536 3.150 ( -9.655 -5.575 -5.473) 12.420 3.453 ( 7.186 4.149 -9.744) 12.798 3.946 ( 17.782 10.267 6.582) 21.562 5.522 ( 2.628 1.517 3.499) 4.632 5.658 ( 1.534 0.886 -6.528) 6.764 6.229 ( 4.569 2.638 2.180) 5.708 6.371 ( 1.420 0.820 -1.709) 2.368 7.181 ( 4.633 2.675 0.015) 5.350 7.375 ( 3.416 1.972 0.586) 3.987 7.873 ( -5.624 -3.247 1.031) 6.576 8.820 ( 3.990 2.303 6.811) 8.223 9.129 ( -6.550 -3.782 -4.975) 9.053 10.392 ( -6.370 -3.678 -0.110) 7.356 13.721 ( -4.189 -2.418 -0.034) 4.837 13.943 ( 5.750 3.320 -0.513) 6.660======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 6.764 3.905 10.375) 12.986 2.223 ( 2.558 1.477 -0.991) 3.115 2.474 ( 6.453 3.726 -0.034) 7.452 2.884 ( -10.102 -5.832 -8.835) 14.633 3.575 ( 4.745 2.740 -5.915) 8.063 4.284 ( 9.879 5.704 6.665) 13.212 5.496 ( -2.557 -1.477 -1.424) 3.278 5.763 ( 5.576 3.219 0.141) 6.441 6.244 ( -1.130 -0.653 -0.550) 1.416 6.477 ( 5.279 3.048 1.144) 6.202 7.269 ( 2.981 1.721 -0.232) 3.450 7.429 ( 1.146 0.662 0.500) 1.415 7.778 ( -2.485 -1.435 0.238) 2.879 8.856 ( -3.018 -1.742 7.587) 8.349 9.044 ( 1.169 0.675 -7.313) 7.436 10.240 ( -6.124 -3.536 0.056) 7.072 13.639 ( -2.825 -1.631 -0.025) 3.262 14.080 ( 5.599 3.233 -0.361) 6.476======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 0.652 0.376 2.508) 2.618 2.261 ( 0.971 0.561 -0.336) 1.171 2.574 ( 2.224 1.284 0.002) 2.568 2.699 ( -2.874 -1.659 -5.524) 6.445 3.640 ( 2.168 1.252 -4.849) 5.457 4.441 ( 2.324 1.341 6.565) 7.092 5.453 ( -0.657 -0.380 0.420) 0.868 5.856 ( 1.996 1.153 0.147) 2.310 6.223 ( -0.391 -0.226 0.125) 0.469 6.563 ( 1.700 0.981 -0.208) 1.974 7.317 ( 1.134 0.655 0.216) 1.327 7.436 ( -0.268 -0.155 -1.091) 1.134 7.754 ( -0.107 -0.062 1.308) 1.314 8.785 ( -2.773 -1.601 -1.297) 3.454 9.083 ( 2.014 1.163 0.116) 2.329 10.136 ( -2.519 -1.455 0.069) 2.910 13.594 ( -0.992 -0.573 -0.009) 1.145 14.175 ( 2.274 1.313 -0.270) 2.639======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( -5.825 -3.363 -6.387) 9.276 2.267 ( -0.484 -0.279 0.346) 0.657 2.575 ( -2.194 -1.266 0.053) 2.533 2.744 ( 6.572 3.794 -0.044) 7.588 3.651 ( -0.107 -0.062 -3.807) 3.809 4.434 ( -4.347 -2.510 5.931) 7.770 5.472 ( 1.803 1.041 2.704) 3.413 5.850 ( -2.372 -1.370 -0.598) 2.804 6.231 ( 0.906 0.523 1.090) 1.510 6.549 ( -2.617 -1.511 -1.921) 3.581 7.322 ( -0.885 -0.511 0.759) 1.273 7.420 ( -0.608 -0.351 -2.975) 3.056 7.768 ( 0.773 0.446 2.947) 3.079 8.736 ( -0.583 -0.337 -6.230) 6.267 9.123 ( 0.966 0.558 3.990) 4.143 10.135 ( 2.427 1.401 -0.057) 2.803 13.595 ( 1.003 0.579 0.006) 1.158 14.175 ( -2.161 -1.248 -0.197) 2.503======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( -8.600 -4.965 -8.166) 12.856 2.238 ( -2.307 -1.332 0.719) 2.759 2.475 ( -6.388 -3.688 0.140) 7.377 2.947 ( 9.954 5.747 -0.438) 11.502 3.616 ( -2.216 -1.280 -2.166) 3.353 4.271 ( -11.204 -6.468 5.689) 14.132 5.527 ( 1.149 0.664 2.138) 2.517 5.765 ( -3.654 -2.110 0.501) 4.249 6.261 ( 0.840 0.485 1.590) 1.863 6.447 ( -4.942 -2.853 -2.488) 6.225 7.278 ( -3.121 -1.802 0.746) 3.680 7.389 ( -1.297 -0.749 -4.268) 4.523 7.811 ( 2.239 1.293 4.138) 4.879 8.716 ( 0.332 0.192 -8.790) 8.798 9.157 ( 1.079 0.623 5.880) 6.010 10.237 ( 6.088 3.515 -0.285) 7.036 13.639 ( 2.832 1.635 0.012) 3.270 14.083 ( -5.450 -3.147 -0.088) 6.294======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( -11.077 -6.396 -6.223) 14.225 2.152 ( -5.822 -3.362 0.077) 6.724 2.291 ( -9.152 -5.284 0.763) 10.595 3.146 ( 6.163 3.558 -4.044) 8.185 3.541 ( -3.619 -2.090 -1.703) 4.513 3.952 ( -17.448 -10.074 8.207) 21.755 5.467 ( -5.578 -3.220 -3.122) 7.157 5.761 ( 2.185 1.262 5.706) 6.239 6.199 ( -6.851 -3.956 -1.364) 8.028 6.396 ( 1.456 0.841 1.223) 2.079 7.182 ( -5.212 -3.009 0.107) 6.019 7.333 ( -2.617 -1.511 -4.562) 5.472 7.893 ( 3.584 2.069 3.551) 5.453 8.692 ( -0.580 -0.335 -7.845) 7.874 9.218 ( 3.192 1.843 5.189) 6.365 10.388 ( 6.431 3.713 -0.568) 7.448 13.722 ( 4.189 2.418 0.007) 4.836 13.948 ( -5.545 -3.201 0.101) 6.403======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -13.232 -7.640 -3.348) 15.642 1.929 ( -13.218 -7.631 -1.855) 15.375 2.094 ( -8.309 -4.797 2.182) 9.840 3.104 ( -9.716 -5.610 -3.612) 11.786 3.333 ( -19.572 -11.300 -6.539) 23.526 3.683 ( -1.872 -1.081 11.488) 11.689 5.339 ( -3.299 -1.905 -3.912) 5.460 5.841 ( 2.773 1.601 7.047) 7.741 6.011 ( -8.182 -4.724 -1.491) 9.564 6.458 ( 2.836 1.637 2.620) 4.194 7.043 ( -6.586 -3.803 -0.878) 7.656 7.241 ( -4.284 -2.473 -4.461) 6.661 7.949 ( -0.769 -0.444 0.197) 0.910 8.667 ( 0.686 0.396 -2.737) 2.849 9.337 ( 6.076 3.508 2.585) 7.477 10.503 ( 3.248 1.875 -0.831) 3.842 13.827 ( 4.831 2.789 -0.010) 5.578 13.857 ( -1.837 -1.061 0.368) 2.153======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.824 ( -13.832 -7.986 0.417) 15.977 1.561 ( -17.830 -10.294 -2.600) 20.752 1.891 ( -9.872 -5.700 2.158) 11.602 2.695 ( -29.717 -17.157 1.578) 34.350 2.741 ( -22.780 -13.152 -4.240) 26.643 3.763 ( 4.203 2.427 2.362) 5.397 5.329 ( 3.569 2.061 -2.954) 5.071 5.835 ( -6.510 -3.758 -0.540) 7.536 5.926 ( 3.188 1.840 7.130) 8.024 6.528 ( 2.414 1.394 2.967) 4.071 6.882 ( -6.792 -3.921 -1.888) 8.066 7.108 ( -6.262 -3.615 -4.875) 8.720 7.795 ( -12.559 -7.251 -2.091) 14.652 8.747 ( 6.197 3.578 0.831) 7.203 9.503 ( 7.670 4.428 1.176) 8.934 10.528 ( -0.714 -0.412 -0.951) 1.259 13.874 ( 2.997 1.730 0.602) 3.512 13.938 ( 4.636 2.676 -0.026) 5.353======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.529 ( -12.262 -7.080 9.140) 16.853 1.099 ( -21.455 -12.387 -2.656) 24.916 1.659 ( -10.268 -5.928 1.680) 11.975 1.904 ( -37.527 -21.666 3.217) 43.451 2.178 ( -25.311 -14.613 -2.929) 29.373 3.849 ( 2.936 1.695 -1.716) 3.799 5.489 ( 10.684 6.169 -1.819) 12.471 5.713 ( -3.993 -2.305 0.378) 4.626 6.035 ( 4.866 2.809 4.807) 7.395 6.583 ( 1.653 0.954 2.529) 3.168 6.730 ( -5.666 -3.271 -2.290) 6.932 6.925 ( -8.217 -4.744 -6.320) 11.401 7.394 ( -20.867 -12.048 0.710) 24.106 8.911 ( 7.093 4.095 -3.389) 8.864 9.687 ( 7.450 4.301 4.889) 9.894 10.484 ( -2.429 -1.402 -0.751) 2.904 13.977 ( 5.083 2.935 0.621) 5.902 14.035 ( 3.631 2.097 -0.031) 4.193======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( -0.000 24.834 5.103) 25.353 0.636 ( 0.000 5.866 36.531) 36.999 1.095 ( 0.000 42.454 15.648) 45.246 1.453 ( -0.000 8.710 -0.747) 8.742 1.601 ( -0.000 22.594 -3.369) 22.844 3.841 ( -0.000 -3.021 -8.746) 9.253 5.663 ( 0.000 2.033 2.288) 3.061 5.786 ( 0.000 -18.257 -2.761) 18.464 6.006 ( -0.000 8.116 -17.264) 19.076 6.533 ( -0.000 2.478 -8.286) 8.649 6.673 ( -0.000 7.186 -3.393) 7.947 6.693 ( 0.000 0.485 6.486) 6.504 6.973 ( 0.000 23.417 9.269) 25.185 8.756 ( -0.000 10.828 -23.280) 25.675 10.162 ( 0.000 -23.702 27.214) 36.089 10.428 ( -0.000 1.690 -0.179) 1.699 14.084 ( 0.000 -3.897 -0.029) 3.897 14.101 ( 0.000 -2.309 -0.020) 2.309======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.802 ( 2.488 4.012 34.299) 34.623 1.029 ( 16.649 19.764 4.584) 26.245 1.587 ( 4.172 12.881 -2.275) 13.730 1.714 ( 17.980 37.738 7.877) 42.539 2.007 ( 17.249 22.786 -1.624) 28.625 3.777 ( -1.253 -2.473 -10.945) 11.291 5.550 ( -5.400 -12.244 -1.800) 13.503 5.710 ( 1.411 2.472 2.809) 3.999 5.953 ( -5.976 3.359 -11.079) 13.029 6.493 ( -2.199 1.301 -6.547) 7.028 6.740 ( 2.870 0.314 5.630) 6.327 6.856 ( 8.973 7.588 -4.787) 12.689 7.379 ( 14.322 20.119 10.076) 26.673 8.764 ( -0.980 0.617 -16.214) 16.255 9.944 ( -8.035 -14.409 18.363) 24.686 10.464 ( 1.880 2.245 -0.905) 3.065 13.972 ( -4.777 -7.178 0.112) 8.623 14.086 ( -0.761 -0.991 -0.381) 1.306======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 6.257 4.873 28.161) 29.256 1.502 ( 14.635 17.406 3.977) 23.086 1.807 ( 5.654 14.121 -2.981) 15.501 2.441 ( 24.057 28.429 3.459) 37.402 2.550 ( 20.704 17.796 -0.945) 27.318 3.683 ( -3.281 -2.837 -10.596) 11.449 5.384 ( -2.310 -6.098 -0.070) 6.521 5.759 ( 0.117 0.678 -2.933) 3.013 5.892 ( -1.809 6.880 -3.179) 7.792 6.455 ( -1.337 0.023 -5.298) 5.465 6.825 ( 5.663 -0.960 4.194) 7.112 7.056 ( 7.342 6.107 -4.033) 10.366 7.827 ( 12.660 13.164 10.748) 21.192 8.667 ( -3.511 -2.185 -10.635) 11.411 9.705 ( -9.863 -10.470 10.947) 18.076 10.524 ( 1.970 2.841 -1.267) 3.682 13.802 ( -3.825 -10.817 -0.138) 11.475 14.057 ( -3.034 2.558 -0.453) 3.994======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 9.142 6.302 22.152) 24.779 1.899 ( 10.511 16.033 2.844) 19.381 2.027 ( 4.439 13.627 -3.163) 14.676 3.005 ( 15.043 14.684 -1.444) 21.072 3.118 ( 24.015 15.645 -1.417) 28.696 3.553 ( -5.175 -1.745 -6.506) 8.495 5.357 ( 3.108 -1.430 2.056) 3.991 5.708 ( -2.718 -0.150 -8.495) 8.921 6.014 ( 4.914 8.168 3.371) 10.111 6.415 ( -1.720 -0.164 -4.280) 4.615 6.931 ( 7.539 -3.103 2.800) 8.620 7.210 ( 5.824 3.958 -2.909) 7.619 8.054 ( -0.451 2.943 7.609) 8.171 8.623 ( 3.366 1.529 -4.200) 5.595 9.457 ( -10.353 -7.953 4.983) 13.973 10.561 ( -1.464 3.208 -1.024) 3.672 13.642 ( 0.309 -14.213 -0.263) 14.219 14.044 ( -3.964 7.799 -0.434) 8.759======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 9.347 6.277 17.407) 20.731 2.151 ( 2.196 10.787 -0.524) 11.020 2.259 ( 6.285 16.190 -0.641) 17.379 3.265 ( -7.187 0.384 -7.011) 10.048 3.339 ( 9.181 6.353 -11.634) 16.124 3.745 ( 18.304 10.974 8.804) 23.086 5.453 ( 6.566 -0.133 3.881) 7.629 5.636 ( -1.742 -1.024 -8.385) 8.626 6.200 ( 5.270 7.229 3.796) 9.719 6.378 ( -1.181 1.256 -3.086) 3.535 7.031 ( 8.431 -6.110 1.563) 10.529 7.322 ( 4.642 1.625 -1.686) 5.199 7.972 ( -7.746 -1.906 2.406) 8.332 8.753 ( 7.003 2.093 3.489) 8.099 9.225 ( -9.237 -4.801 -1.049) 10.463 10.520 ( -7.010 3.799 -0.542) 7.992 13.531 ( 4.660 -16.812 -0.247) 17.447 14.084 ( -3.014 12.770 -0.383) 13.126======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( 7.307 4.163 12.935) 15.428 2.248 ( -0.553 7.373 -1.459) 7.536 2.504 ( 2.696 16.181 -0.031) 16.404 3.040 ( -12.220 0.819 -12.147) 17.250 3.521 ( 4.951 6.701 -5.371) 9.913 4.143 ( 14.490 5.289 8.267) 17.501 5.493 ( -0.811 -4.208 -0.839) 4.367 5.663 ( 7.041 0.490 -1.436) 7.203 6.280 ( -1.657 2.139 0.089) 2.707 6.448 ( 4.206 6.571 0.986) 7.864 7.104 ( 8.740 -9.705 0.585) 13.074 7.393 ( 3.132 -0.542 -0.745) 3.265 7.833 ( -5.494 -1.914 0.696) 5.859 8.870 ( 2.867 -1.907 9.050) 9.683 9.056 ( -4.823 0.257 -8.148) 9.472 10.408 ( -10.597 5.739 -0.155) 12.052 13.459 ( 6.823 -17.471 -0.182) 18.757 14.183 ( -1.869 14.592 -0.327) 14.715======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( 3.065 -0.123 6.056) 6.789 2.283 ( -1.306 4.435 -1.142) 4.762 2.666 ( -2.281 15.169 -0.022) 15.340 2.846 ( -10.647 8.117 -9.467) 16.397 3.621 ( 1.734 5.036 -5.409) 7.591 4.385 ( 7.466 0.248 8.678) 11.450 5.432 ( 0.106 -4.319 -0.195) 4.325 5.779 ( 6.098 -2.026 0.207) 6.429 6.263 ( -2.314 2.579 0.110) 3.466 6.570 ( 1.573 5.546 0.316) 5.773 7.143 ( 8.917 -13.012 0.221) 15.776 7.415 ( 1.242 -1.901 -1.052) 2.502 7.763 ( -1.010 -1.389 1.033) 2.004 8.831 ( -3.970 -2.490 1.207) 4.839 9.054 ( 2.511 1.876 -2.113) 3.780 10.294 ( -10.316 8.962 0.031) 13.665 13.415 ( 7.913 -16.695 -0.120) 18.476 14.285 ( -3.013 13.382 -0.286) 13.720======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( -3.197 -3.832 -3.589) 6.147 2.304 ( -1.166 4.129 0.772) 4.360 2.723 ( -7.463 12.982 0.027) 14.974 2.807 ( -4.206 13.380 -4.557) 14.747 3.659 ( -0.469 3.597 -5.428) 6.529 4.456 ( 0.351 -3.957 8.658) 9.526 5.426 ( 3.097 -2.877 2.466) 4.894 5.818 ( 2.267 -4.797 -0.455) 5.326 6.262 ( -1.470 3.488 1.077) 3.935 6.599 ( -2.838 2.864 -1.749) 4.395 7.156 ( 8.492 -14.795 0.201) 17.060 7.403 ( 0.555 -2.177 -2.262) 3.189 7.765 ( 1.463 -0.554 2.760) 3.172 8.748 ( -2.821 -0.780 -4.791) 5.614 9.112 ( 2.264 0.822 2.504) 3.474 10.247 ( -7.033 12.064 0.030) 13.964 13.400 ( 9.120 -15.721 -0.071) 18.175 14.328 ( -6.329 11.088 -0.250) 12.769======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( -7.042 -4.038 -7.139) 10.810 2.315 ( -3.396 4.761 1.268) 5.984 2.667 ( -11.959 9.583 0.076) 15.325 2.922 ( 2.467 12.967 -2.859) 13.505 3.651 ( -2.415 2.365 -4.563) 5.678 4.368 ( -6.227 -7.882 8.258) 13.003 5.483 ( 4.236 -1.525 3.630) 5.783 5.766 ( -0.934 -6.121 -0.746) 6.237 6.285 ( -0.655 3.658 1.939) 4.191 6.527 ( -6.208 0.438 -2.954) 6.889 7.139 ( 6.708 -15.137 -0.384) 16.561 7.383 ( 0.287 -1.823 -3.137) 3.640 7.811 ( 2.159 1.473 4.604) 5.294 8.692 ( -0.874 -0.845 -7.410) 7.509 9.161 ( 1.485 0.958 4.150) 4.511 10.292 ( -2.718 13.466 -0.113) 13.738 13.417 ( 10.544 -15.115 -0.039) 18.430 14.287 ( -9.939 9.334 -0.193) 13.636======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( -9.979 -4.650 -5.305) 12.221 2.278 ( -6.954 4.631 0.853) 8.398 2.507 ( -15.079 5.837 0.249) 16.172 3.101 ( 4.834 10.121 -4.777) 12.191 3.596 ( -4.506 0.698 -3.177) 5.557 4.130 ( -12.644 -11.236 8.763) 19.050 5.493 ( -2.229 -4.320 -0.670) 4.907 5.727 ( 2.977 -1.983 3.134) 4.756 6.287 ( -4.655 0.685 0.584) 4.741 6.422 ( -3.602 1.541 -0.906) 4.021 7.082 ( 4.151 -14.596 -1.201) 15.222 7.354 ( -1.061 -1.085 -3.604) 3.910 7.893 ( 2.440 3.988 5.416) 7.155 8.655 ( 0.384 -1.961 -7.764) 8.017 9.212 ( 1.777 1.784 4.248) 4.938 10.405 ( 0.275 12.262 -0.381) 12.271 13.462 ( 11.763 -14.524 -0.010) 18.690 14.186 ( -11.504 8.917 -0.097) 14.556======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.291 ( -12.747 -6.317 -1.323) 14.288 2.146 ( -13.763 2.525 -0.695) 14.010 2.288 ( -14.443 3.356 1.309) 14.886 3.197 ( -3.235 4.114 -6.727) 8.523 3.482 ( -8.398 -2.107 -5.897) 10.475 3.793 ( -12.995 -10.789 12.643) 21.098 5.368 ( -4.394 -4.146 -2.975) 6.734 5.808 ( 4.203 0.394 4.598) 6.242 6.140 ( -9.538 -0.809 -0.911) 9.616 6.440 ( 1.384 2.045 1.836) 3.078 6.988 ( 1.410 -12.887 -1.578) 13.060 7.299 ( -3.497 -0.228 -3.916) 5.255 7.983 ( 0.367 4.382 3.919) 5.890 8.627 ( 1.359 -2.347 -5.122) 5.795 9.291 ( 3.875 2.621 3.190) 5.662 10.518 ( 0.263 8.427 -0.717) 8.462 13.535 ( 12.338 -12.369 0.053) 17.471 14.090 ( -9.355 8.964 0.011) 12.957======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( -14.099 -7.350 3.963) 16.386 1.845 ( -20.650 -0.436 -1.457) 20.706 2.086 ( -13.419 1.827 1.563) 13.632 2.986 ( -18.022 -4.059 -3.913) 18.883 3.083 ( -27.363 -9.821 -1.466) 29.109 3.708 ( 3.578 -1.042 3.943) 5.425 5.294 ( 0.251 -0.523 -2.520) 2.586 5.858 ( -0.359 -2.521 1.873) 3.161 6.001 ( -5.610 3.172 1.901) 6.719 6.490 ( 2.458 -0.051 1.431) 2.845 6.871 ( -1.269 -9.540 -1.263) 9.707 7.205 ( -6.343 0.504 -4.295) 7.677 7.953 ( -8.836 0.421 1.292) 8.940 8.660 ( 5.496 0.043 -1.368) 5.664 9.419 ( 6.774 2.831 2.525) 7.763 10.562 ( -1.940 3.618 -0.983) 4.222 13.648 ( 12.352 -7.571 0.169) 14.489 14.050 ( -4.680 7.315 0.046) 8.684======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.704 ( -12.833 -5.570 12.819) 18.975 1.441 ( -24.235 -1.146 -0.739) 24.273 1.854 ( -14.426 -0.345 0.752) 14.450 2.423 ( -36.948 -8.804 1.818) 38.026 2.532 ( -26.490 -5.048 -2.346) 27.069 3.787 ( 4.610 0.134 -2.360) 5.180 5.362 ( 7.194 2.035 -1.484) 7.622 5.769 ( -4.763 -2.032 0.642) 5.218 6.017 ( 1.315 1.993 0.652) 2.476 6.527 ( 2.835 -2.016 -0.457) 3.509 6.757 ( -3.286 -4.365 0.478) 5.485 7.067 ( -9.176 1.341 -4.745) 10.417 7.694 ( -19.538 -2.206 3.027) 19.894 8.790 ( 8.213 1.008 -3.660) 9.048 9.590 ( 8.814 2.078 5.281) 10.483 10.529 ( -3.456 0.643 -0.960) 3.644 13.807 ( 11.431 -2.712 0.231) 11.751 14.063 ( -0.704 3.853 -0.052) 3.917======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.942 ( 0.000 6.496 33.253) 33.881 1.092 ( -0.000 23.404 1.887) 23.480 1.669 ( -0.000 12.343 -0.511) 12.354 2.001 ( -0.000 40.041 8.701) 40.976 2.117 ( -0.000 28.919 -4.452) 29.260 3.733 ( -0.000 -1.826 -12.351) 12.485 5.459 ( 0.000 -12.589 -1.745) 12.709 5.741 ( 0.000 4.338 2.861) 5.197 5.996 ( -0.000 -0.242 -7.670) 7.674 6.533 ( -0.000 1.257 -6.818) 6.933 6.764 ( 0.000 3.795 4.690) 6.033 6.820 ( -0.000 8.938 -4.450) 9.984 7.492 ( 0.000 21.909 8.753) 23.592 8.738 ( -0.000 -0.480 -13.028) 13.037 9.899 ( 0.000 -16.001 15.720) 22.431 10.464 ( -0.000 2.118 -1.467) 2.576 13.981 ( 0.000 -5.849 -0.119) 5.850 14.035 ( 0.000 -4.203 -0.036) 4.203======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 0.187 7.479 29.746) 30.672 1.450 ( 12.709 19.994 1.838) 23.763 1.853 ( 5.748 13.632 -0.865) 14.819 2.454 ( 10.075 26.124 -1.507) 28.040 2.504 ( 9.384 31.661 2.481) 33.115 3.675 ( -1.535 -0.786 -11.350) 11.481 5.338 ( -0.816 -7.521 -1.345) 7.684 5.787 ( -1.144 3.751 0.922) 4.029 5.965 ( -0.782 2.437 -4.931) 5.556 6.485 ( -2.964 0.763 -4.364) 5.331 6.801 ( -0.873 2.994 4.001) 5.073 6.976 ( 7.114 6.960 -5.006) 11.140 7.806 ( 9.094 16.049 9.033) 20.539 8.672 ( -2.409 -2.398 -9.058) 9.674 9.741 ( -4.757 -13.532 10.959) 18.051 10.504 ( 2.595 2.318 -1.843) 3.937 13.810 ( -8.142 -8.602 0.067) 11.845 14.059 ( 3.489 -1.241 -0.415) 3.726======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( 4.237 8.067 25.346) 26.935 1.879 ( 13.212 18.086 1.924) 22.480 2.096 ( 5.300 14.904 -1.469) 15.887 2.861 ( 14.773 13.608 -6.574) 21.134 2.996 ( 12.679 23.786 1.582) 27.000 3.611 ( -3.316 2.625 -6.332) 7.615 5.293 ( 1.905 -2.570 -0.044) 3.200 5.751 ( -4.129 0.790 -6.182) 7.476 6.037 ( 3.283 7.297 1.681) 8.176 6.442 ( -2.070 1.037 -3.057) 3.835 6.825 ( 1.598 -1.159 3.987) 4.449 7.135 ( 6.042 4.200 -4.715) 8.739 8.088 ( 4.739 6.774 8.191) 11.638 8.592 ( -0.674 -0.781 -4.720) 4.831 9.535 ( -7.404 -10.584 5.700) 14.118 10.582 ( 3.040 3.580 -1.681) 4.989 13.567 ( -7.246 -12.041 -0.027) 14.053 14.118 ( 2.104 3.872 -0.469) 4.432======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( 6.842 7.242 20.536) 22.826 2.231 ( 5.133 14.265 0.897) 15.187 2.334 ( 5.981 18.515 -1.426) 19.509 3.154 ( 11.347 1.476 -16.589) 20.152 3.346 ( 5.100 12.461 -0.906) 13.495 3.669 ( 5.002 12.522 6.203) 14.843 5.347 ( 5.289 -0.648 1.796) 5.623 5.655 ( -4.189 -0.957 -8.003) 9.083 6.200 ( 5.048 7.770 3.668) 9.965 6.413 ( -1.888 2.079 -2.613) 3.836 6.854 ( 4.338 -5.777 3.530) 8.041 7.244 ( 4.839 1.335 -3.746) 6.263 8.095 ( -6.835 -1.378 2.895) 7.549 8.658 ( 6.556 1.397 2.888) 7.299 9.317 ( -8.001 -7.080 0.289) 10.688 10.650 ( -0.925 6.121 -1.097) 6.287 13.340 ( -2.662 -15.372 -0.168) 15.602 14.211 ( 1.306 8.991 -0.369) 9.093======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 6.382 4.210 15.405) 17.198 2.357 ( -1.817 9.319 -1.699) 9.645 2.646 ( 4.638 21.816 -0.171) 22.304 3.169 ( -2.529 2.201 -19.101) 19.393 3.531 ( 2.949 11.734 0.663) 12.117 3.977 ( 12.653 7.513 8.707) 17.099 5.430 ( 3.601 -3.766 1.521) 5.428 5.572 ( 0.416 -1.557 -5.478) 5.711 6.319 ( 0.271 2.039 1.154) 2.359 6.456 ( 3.410 7.352 0.597) 8.126 6.872 ( 5.414 -9.369 2.040) 11.011 7.313 ( 4.119 -1.253 -2.350) 4.905 7.930 ( -8.363 -3.519 0.551) 9.090 8.790 ( 6.044 -1.630 7.459) 9.738 9.132 ( -6.480 -2.610 -5.316) 8.779 10.658 ( -7.121 10.064 -0.507) 12.338 13.176 ( 3.198 -18.194 -0.237) 18.475 14.336 ( 0.596 12.342 -0.275) 12.360======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( 3.465 -0.859 8.488) 9.208 2.381 ( -3.238 6.801 -2.095) 7.819 2.902 ( -1.194 22.918 -0.158) 22.950 3.096 ( -7.742 11.680 -14.174) 19.931 3.665 ( 0.144 9.744 -1.991) 9.946 4.249 ( 10.546 0.510 9.627) 14.288 5.379 ( -0.679 -6.120 -0.932) 6.228 5.627 ( 6.958 -3.905 -0.217) 7.982 6.317 ( -0.721 0.367 0.187) 0.830 6.606 ( 2.930 7.898 1.439) 8.546 6.863 ( 5.758 -12.067 0.343) 13.374 7.349 ( 3.001 -2.996 -1.385) 4.461 7.774 ( -4.167 -4.696 0.217) 6.282 8.839 ( 0.416 -4.989 6.389) 8.117 9.043 ( -0.747 1.892 -6.236) 6.559 10.617 ( -11.308 14.699 -0.144) 18.546 13.081 ( 7.753 -19.847 -0.225) 21.309 14.462 ( -1.131 13.049 -0.229) 13.100======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( -0.561 -4.512 -0.264) 4.555 2.396 ( -2.518 7.092 0.425) 7.538 3.049 ( -8.199 22.104 -0.128) 23.576 3.070 ( -8.288 17.466 -9.963) 21.749 3.724 ( -2.297 7.932 -4.069) 9.206 4.390 ( 4.923 -4.824 10.422) 12.495 5.336 ( 2.697 -5.277 1.690) 6.163 5.683 ( 5.622 -7.427 -0.254) 9.318 6.317 ( 0.128 0.481 1.185) 1.286 6.685 ( -2.372 5.616 -1.487) 6.275 6.847 ( 7.287 -12.977 0.436) 14.889 7.348 ( 1.508 -3.858 -1.908) 4.560 7.711 ( 2.066 -4.551 1.715) 5.284 8.771 ( -2.735 -3.404 -1.516) 4.623 9.079 ( 2.696 1.179 0.063) 2.943 10.577 ( -11.956 18.396 -0.006) 21.939 13.040 ( 10.552 -20.114 -0.170) 22.715 14.541 ( -4.255 11.725 -0.211) 12.475======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.799 ( -3.879 -4.094 -4.896) 7.469 2.432 ( -2.420 7.107 2.155) 7.811 3.050 ( -14.909 18.226 0.029) 23.548 3.103 ( -5.894 18.201 -8.035) 20.750 3.733 ( -3.615 6.627 -4.696) 8.890 4.376 ( -1.658 -9.220 10.424) 14.015 5.377 ( 5.876 -3.452 3.855) 7.830 5.670 ( 2.880 -9.122 -1.024) 9.621 6.338 ( 0.615 1.071 2.429) 2.725 6.638 ( -5.580 1.663 -3.621) 6.856 6.849 ( 6.465 -11.960 -0.106) 13.596 7.328 ( 1.679 -3.707 -2.603) 4.831 7.755 ( 5.515 -2.017 3.798) 6.994 8.688 ( -2.284 -2.493 -4.750) 5.830 9.139 ( 2.734 0.563 2.116) 3.503 10.577 ( -9.991 19.596 -0.016) 21.996 13.042 ( 12.267 -19.096 -0.113) 22.697 14.542 ( -7.933 9.593 -0.188) 12.449======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( -7.353 -3.208 -4.129) 9.023 2.449 ( -4.704 6.678 1.944) 8.396 2.905 ( -19.193 12.562 0.090) 22.939 3.183 ( -2.001 15.466 -8.286) 17.659 3.702 ( -5.631 4.821 -3.476) 8.187 4.212 ( -7.613 -12.392 10.004) 17.652 5.449 ( 2.964 -3.750 2.199) 5.261 5.630 ( 4.008 -6.229 0.221) 7.410 6.359 ( -0.933 0.951 2.529) 2.859 6.534 ( -6.700 2.055 -2.369) 7.398 6.824 ( 5.731 -13.296 -1.809) 14.591 7.321 ( 1.651 -2.371 -2.757) 3.993 7.869 ( 6.104 1.485 5.074) 8.076 8.618 ( -1.222 -2.716 -5.439) 6.201 9.196 ( 2.564 0.641 2.141) 3.401 10.617 ( -7.080 17.359 -0.138) 18.748 13.085 ( 13.400 -16.537 -0.069) 21.284 14.464 ( -10.605 7.547 -0.146) 13.017======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( -11.423 -3.326 -0.193) 11.899 2.397 ( -9.296 5.481 0.874) 10.826 2.654 ( -20.538 6.994 0.274) 21.698 3.278 ( -0.883 11.470 -10.172) 15.356 3.605 ( -8.245 1.243 -2.203) 8.624 3.933 ( -12.413 -13.071 10.593) 20.908 5.386 ( -3.175 -4.598 -1.313) 5.740 5.715 ( 7.340 -1.234 2.053) 7.721 6.294 ( -7.580 0.354 -0.033) 7.589 6.478 ( -2.494 2.964 1.498) 4.153 6.783 ( 5.366 -12.309 -2.039) 13.581 7.314 ( -0.001 -0.750 -2.915) 3.010 8.005 ( 4.344 3.512 4.854) 7.401 8.567 ( 0.284 -2.802 -4.100) 4.974 9.257 ( 3.151 0.871 1.435) 3.570 10.661 ( -5.024 11.703 -0.367) 12.741 13.180 ( 14.212 -11.853 -0.029) 18.506 14.340 ( -10.812 5.687 -0.096) 12.217======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( -14.493 -2.942 5.373) 15.734 2.208 ( -18.189 2.739 -0.159) 18.395 2.372 ( -16.600 2.659 0.581) 16.822 3.239 ( -12.670 4.246 -7.264) 15.209 3.413 ( -16.472 -0.897 -4.478) 17.093 3.667 ( -3.420 -7.870 9.033) 12.459 5.299 ( -2.257 -1.093 -1.103) 2.739 5.813 ( 4.139 -1.079 -0.254) 4.285 6.152 ( -8.644 1.084 0.531) 8.728 6.476 ( -0.509 0.357 0.698) 0.934 6.762 ( 3.499 -6.435 -0.088) 7.325 7.282 ( -2.912 0.607 -3.081) 4.282 8.074 ( -1.869 1.708 3.131) 4.026 8.568 ( 3.360 -0.865 -1.174) 3.662 9.338 ( 5.180 0.609 1.067) 5.324 10.661 ( -4.543 4.752 -0.621) 6.603 13.343 ( 14.656 -5.552 0.009) 15.673 14.217 ( -8.267 3.342 -0.094) 8.917======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -14.479 -0.042 12.636) 19.217 1.857 ( -22.938 0.850 0.733) 22.965 2.113 ( -15.238 -0.979 -0.535) 15.279 2.933 ( -22.723 2.294 -2.215) 22.946 2.979 ( -29.498 -0.309 0.519) 29.504 3.683 ( 5.532 -1.798 -2.281) 6.248 5.294 ( 1.900 1.142 -0.045) 2.217 5.819 ( -1.479 -0.991 -1.910) 2.611 6.038 ( -4.603 -1.349 -1.051) 4.911 6.476 ( 1.218 -0.800 -1.112) 1.833 6.771 ( 0.013 1.030 2.161) 2.394 7.205 ( -6.190 1.476 -3.043) 7.054 7.976 ( -11.170 0.177 4.417) 12.013 8.652 ( 6.320 0.127 -2.162) 6.680 9.459 ( 8.199 -0.615 2.887) 8.714 10.603 ( -4.357 0.355 -0.724) 4.431 13.567 ( 13.971 -0.111 -0.009) 13.971 14.124 ( -4.330 -0.051 -0.209) 4.336======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 0.000 8.229 28.070) 29.251 1.534 ( -0.000 20.000 0.549) 20.007 1.910 ( -0.000 11.622 -0.622) 11.638 2.604 ( -0.000 22.106 -6.953) 23.174 2.774 ( -0.000 30.912 4.620) 31.256 3.668 ( -0.000 3.137 -9.957) 10.440 5.273 ( 0.000 -4.868 -1.412) 5.069 5.868 ( 0.000 6.702 3.012) 7.348 5.944 ( -0.000 -1.466 -4.861) 5.077 6.507 ( -0.000 -0.743 -4.540) 4.600 6.890 ( 0.000 6.593 2.341) 6.996 6.964 ( -0.000 7.469 -3.592) 8.288 7.898 ( 0.000 13.433 7.892) 15.580 8.646 ( -0.000 -2.771 -6.671) 7.223 9.670 ( 0.000 -13.535 8.946) 16.224 10.487 ( -0.000 0.738 -1.925) 2.062 13.876 ( 0.000 -3.721 -0.444) 3.748 13.937 ( 0.000 -5.354 -0.046) 5.355======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( -0.182 8.339 25.146) 26.493 1.832 ( 11.247 17.237 0.455) 20.587 2.100 ( 7.968 11.250 -0.333) 13.790 2.806 ( 4.818 12.387 -9.967) 16.612 3.090 ( 4.574 21.440 1.017) 21.946 3.700 ( -1.438 10.543 -4.251) 11.459 5.250 ( 0.887 -0.446 -0.884) 1.329 5.832 ( -5.526 0.956 -4.003) 6.890 6.029 ( 5.178 5.307 1.381) 7.542 6.473 ( -1.087 -0.076 -2.758) 2.965 6.892 ( -5.623 4.148 2.569) 7.445 7.079 ( 4.326 5.736 -3.694) 8.078 8.083 ( 5.314 6.852 7.229) 11.290 8.589 ( -1.354 -2.114 -3.791) 4.547 9.531 ( -3.454 -11.504 5.157) 13.072 10.524 ( 4.510 0.262 -1.661) 4.813 13.648 ( -12.669 -7.103 -0.163) 14.525 14.045 ( 8.530 0.406 -0.417) 8.550======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( 2.786 7.088 21.654) 22.954 2.217 ( 12.717 13.889 0.755) 18.847 2.374 ( 9.039 13.857 -0.391) 16.549 2.941 ( 7.669 0.473 -15.554) 17.348 3.363 ( 7.114 13.403 -0.787) 15.194 3.814 ( -1.617 17.112 2.895) 17.430 5.286 ( 2.275 1.766 0.310) 2.896 5.718 ( -6.029 -0.579 -6.495) 8.880 6.189 ( 5.470 6.550 2.564) 8.910 6.463 ( -0.981 2.209 -1.597) 2.897 6.821 ( -4.346 -1.429 3.735) 5.906 7.179 ( 3.373 2.690 -3.718) 5.696 8.169 ( -1.892 -1.327 2.978) 3.769 8.586 ( 3.350 0.355 2.449) 4.165 9.358 ( -5.559 -8.350 0.492) 10.043 10.635 ( 6.911 2.097 -1.190) 7.319 13.341 ( -12.177 -10.034 -0.158) 15.779 14.210 ( 7.065 5.570 -0.373) 9.004======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 4.040 3.502 17.067) 17.885 2.448 ( 1.646 7.602 -1.130) 7.860 2.726 ( 11.144 20.049 -0.284) 22.939 3.040 ( 10.182 -0.745 -17.957) 20.656 3.603 ( 5.781 11.845 0.629) 13.196 3.979 ( 0.883 13.780 6.441) 15.236 5.346 ( 2.713 -0.258 1.062) 2.925 5.586 ( -5.287 -1.988 -5.967) 8.216 6.323 ( 1.633 2.225 1.382) 3.086 6.482 ( 0.885 5.745 -0.150) 5.815 6.762 ( 0.456 -4.685 3.885) 6.103 7.233 ( 2.737 -0.369 -2.978) 4.061 8.037 ( -8.263 -5.081 -0.334) 9.706 8.689 ( 5.822 -1.067 7.234) 9.346 9.189 ( -5.605 -4.395 -4.019) 8.178 10.778 ( 4.228 6.660 -0.690) 7.919 13.046 ( -7.813 -13.474 -0.206) 15.577 14.393 ( 5.341 9.149 -0.254) 10.596======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 2.500 -1.879 10.229) 10.697 2.490 ( -2.086 5.811 -2.816) 6.785 3.100 ( 6.302 22.664 -0.626) 23.532 3.178 ( 6.345 7.795 -15.516) 18.487 3.790 ( 0.795 12.840 1.481) 12.950 4.143 ( 4.847 4.714 8.251) 10.668 5.338 ( -1.372 -4.806 -0.851) 5.070 5.504 ( 1.186 -3.750 -1.443) 4.189 6.286 ( -1.217 -6.205 -0.056) 6.323 6.617 ( 4.629 7.106 1.759) 8.661 6.759 ( 1.105 -1.103 1.823) 2.401 7.257 ( 2.934 -2.944 -1.825) 4.540 7.823 ( -8.244 -7.150 -0.981) 10.956 8.771 ( 3.527 -4.200 7.762) 9.504 9.072 ( -3.112 -0.039 -6.379) 7.098 10.896 ( -2.201 13.356 -0.304) 13.539 12.813 ( -0.746 -17.594 -0.232) 17.611 14.565 ( 2.962 10.484 -0.180) 10.896======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 0.301 -5.105 2.230) 5.579 2.511 ( -2.039 6.754 -0.527) 7.075 3.294 ( -0.304 14.760 -13.990) 20.339 3.388 ( -1.996 24.302 -0.126) 24.384 3.884 ( -4.580 12.136 -0.094) 12.972 4.271 ( 5.775 -3.526 10.172) 12.217 5.257 ( -0.138 -5.565 0.452) 5.585 5.503 ( 4.756 -8.330 0.074) 9.592 6.209 ( 3.387 -11.798 0.371) 12.281 6.744 ( 1.622 3.575 1.671) 4.266 6.777 ( -1.462 6.189 -0.700) 6.398 7.266 ( 2.553 -4.377 -1.403) 5.257 7.640 ( -2.259 -8.710 -0.116) 8.999 8.759 ( -0.647 -4.860 2.413) 5.464 9.055 ( 1.081 1.630 -2.671) 3.310 10.965 ( -8.724 19.568 -0.089) 21.425 12.671 ( 6.671 -20.907 -0.212) 21.947 14.691 ( -0.404 9.763 -0.151) 9.773======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( -1.141 -4.309 -2.391) 5.058 2.546 ( -1.982 6.448 1.491) 6.909 3.374 ( -5.288 18.255 -12.602) 22.804 3.501 ( -12.309 21.606 0.127) 24.867 3.890 ( -6.132 9.731 -2.261) 11.722 4.306 ( 1.805 -9.369 11.545) 14.978 5.251 ( 4.683 -4.275 2.798) 6.930 5.492 ( 5.163 -10.856 -0.618) 12.037 6.186 ( 8.312 -12.957 0.980) 15.425 6.739 ( -5.471 5.227 -1.075) 7.642 6.814 ( -2.667 4.360 -0.299) 5.120 7.245 ( 1.753 -5.099 -2.168) 5.811 7.608 ( 6.983 -6.401 2.117) 9.706 8.690 ( -2.200 -3.340 -1.611) 4.311 9.100 ( 2.590 0.790 0.283) 2.723 10.987 ( -12.417 21.561 -0.021) 24.881 12.625 ( 12.168 -20.843 -0.159) 24.136 14.738 ( -4.432 7.767 -0.136) 8.944======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( -3.386 -2.300 -2.493) 4.793 2.571 ( -2.362 4.767 1.712) 5.589 3.384 ( -18.429 14.019 -1.507) 23.204 3.418 ( -8.952 17.699 -10.176) 22.292 3.866 ( -6.491 7.774 -2.356) 10.398 4.205 ( -3.490 -13.402 11.371) 17.920 5.335 ( 6.852 -2.455 3.285) 7.985 5.470 ( 5.112 -9.187 -1.287) 10.592 6.240 ( 10.062 -9.474 1.251) 13.877 6.671 ( -7.286 4.347 -0.898) 8.531 6.759 ( -5.394 0.208 -1.311) 5.555 7.242 ( 3.377 -3.140 -1.896) 4.986 7.731 ( 10.324 -2.153 2.809) 10.914 8.616 ( -2.431 -2.134 -2.255) 3.943 9.154 ( 2.879 0.173 0.562) 2.939 10.967 ( -12.495 17.444 -0.049) 21.458 12.675 ( 14.908 -16.109 -0.108) 21.949 14.692 ( -8.169 5.297 -0.114) 9.736======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( -7.490 -0.747 0.777) 7.568 2.556 ( -4.279 2.415 0.771) 4.974 3.104 ( -23.031 5.807 0.050) 23.752 3.432 ( -5.525 14.307 -12.073) 19.519 3.779 ( -9.761 2.449 -0.165) 10.065 4.004 ( -7.222 -12.314 9.792) 17.311 5.372 ( 0.190 -3.011 -0.164) 3.021 5.546 ( 9.867 -2.529 0.457) 10.196 6.324 ( 5.393 -3.454 0.564) 6.429 6.584 ( -5.915 2.154 0.449) 6.311 6.656 ( -3.467 -2.408 -0.819) 4.300 7.276 ( 2.742 -0.534 -1.753) 3.298 7.906 ( 9.696 -0.300 1.949) 9.894 8.558 ( -1.928 -0.635 -0.489) 2.088 9.206 ( 3.096 -0.145 -0.323) 3.116 10.902 ( -10.217 8.858 -0.149) 13.523 12.818 ( 15.653 -8.108 -0.082) 17.629 14.568 ( -10.448 2.762 -0.091) 10.808======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( -11.977 0.777 5.768) 13.316 2.456 ( -9.029 -0.518 -0.028) 9.044 2.731 ( -22.461 -0.153 -0.118) 22.462 3.448 ( -3.907 11.141 -13.682) 18.071 3.579 ( -10.516 -5.546 2.377) 12.125 3.776 ( -12.195 -5.136 8.111) 15.521 5.337 ( -2.204 0.669 0.009) 2.303 5.690 ( 8.012 -1.164 -1.946) 8.327 6.301 ( -6.196 0.002 0.394) 6.209 6.505 ( -3.272 -1.642 -1.349) 3.902 6.663 ( 4.168 2.093 2.932) 5.509 7.304 ( 0.404 1.064 -1.756) 2.092 8.039 ( 5.857 -2.248 0.107) 6.275 8.549 ( -0.079 2.246 2.902) 3.671 9.259 ( 3.790 -0.751 -1.278) 4.069 10.792 ( -7.348 0.134 -0.283) 7.355 13.050 ( 15.520 -0.012 -0.084) 15.520 14.398 ( -10.474 0.021 -0.104) 10.475======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( -14.019 3.312 11.237) 18.269 2.216 ( -17.119 -2.301 0.800) 17.291 2.357 ( -17.351 -3.684 -1.249) 17.782 3.293 ( -16.337 1.571 -0.182) 16.414 3.440 ( -15.958 8.082 -8.184) 19.671 3.569 ( -0.516 -4.912 3.628) 6.128 5.320 ( -1.996 3.021 1.464) 3.906 5.770 ( 3.832 -1.581 -5.408) 6.814 6.158 ( -9.274 -0.607 1.415) 9.401 6.452 ( -0.195 -1.732 -2.101) 2.730 6.794 ( 3.069 7.557 3.370) 8.825 7.293 ( -2.896 1.778 -1.680) 3.791 8.058 ( 0.396 -4.125 1.138) 4.298 8.605 ( 1.144 3.717 3.147) 5.002 9.322 ( 5.902 -2.309 -0.758) 6.383 10.663 ( -4.482 -4.281 -0.365) 6.209 13.342 ( 14.615 5.478 -0.131) 15.608 14.216 ( -8.325 -3.355 -0.209) 8.978======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 0.000 6.448 23.543) 24.410 1.891 ( -0.000 15.191 -0.318) 15.194 2.118 ( -0.000 9.669 -0.656) 9.691 2.834 ( -0.000 5.299 -12.465) 13.545 3.227 ( -0.000 13.433 -1.377) 13.503 3.856 ( -0.000 18.791 -0.133) 18.792 5.256 ( -0.000 3.709 -0.830) 3.801 5.886 ( -0.000 -1.950 -3.992) 4.443 6.034 ( 0.000 8.064 2.702) 8.505 6.458 ( -0.000 -1.995 -2.826) 3.459 7.042 ( -0.000 7.432 0.862) 7.482 7.078 ( -0.000 5.362 -1.651) 5.610 8.106 ( 0.000 3.706 6.517) 7.496 8.567 ( -0.000 -2.509 -2.717) 3.698 9.461 ( 0.000 -10.336 3.275) 10.842 10.459 ( -0.000 -2.909 -1.178) 3.138 13.826 ( 0.000 -5.565 -0.046) 5.565 13.851 ( -0.000 1.756 -0.667) 1.878======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.663 ( 0.223 4.389 20.852) 21.310 2.125 ( 10.721 11.391 -0.269) 15.645 2.310 ( 10.177 10.323 -0.016) 14.496 2.823 ( 1.288 -1.957 -15.381) 15.558 3.366 ( 4.566 8.453 -1.647) 9.748 4.049 ( -1.922 20.909 2.616) 21.160 5.309 ( -0.025 6.155 -0.246) 6.160 5.801 ( -5.444 -1.136 -4.353) 7.062 6.169 ( 4.619 6.898 2.202) 8.588 6.452 ( 2.159 -0.912 -1.357) 2.708 6.986 ( -10.342 3.886 1.736) 11.183 7.167 ( 1.635 4.537 -1.701) 5.114 8.160 ( 1.407 -1.540 3.372) 3.965 8.550 ( 1.497 -1.273 1.201) 2.303 9.350 ( -2.769 -7.748 0.066) 8.228 10.486 ( 7.484 -3.439 -0.708) 8.267 13.531 ( -16.862 -4.604 -0.246) 17.481 14.081 ( 12.501 3.527 -0.397) 12.995======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( 1.719 1.208 17.008) 17.138 2.422 ( 9.908 6.864 0.807) 12.081 2.659 ( 15.567 14.090 0.000) 20.997 2.800 ( 7.108 -3.704 -17.032) 18.824 3.556 ( 8.949 6.335 -0.373) 10.971 4.200 ( -4.304 17.904 3.657) 18.774 5.358 ( -1.134 4.807 0.156) 4.942 5.667 ( -7.045 -1.283 -4.479) 8.447 6.314 ( 3.833 4.680 0.951) 6.124 6.508 ( 3.250 2.436 0.308) 4.074 6.811 ( -10.281 -1.247 3.000) 10.783 7.209 ( 0.197 1.876 -1.634) 2.495 8.094 ( -4.811 -5.854 -1.259) 7.681 8.611 ( 4.585 -0.744 6.532) 8.015 9.220 ( -4.286 -4.390 -3.285) 6.959 10.644 ( 12.872 -0.746 -0.428) 12.901 13.175 ( -17.359 -6.470 -0.231) 18.527 14.332 ( 10.466 6.543 -0.254) 12.346======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( 1.088 -3.219 10.923) 11.439 2.544 ( 0.620 3.837 -2.704) 4.735 2.972 ( 16.311 1.979 -11.522) 20.068 3.104 ( 16.512 17.256 -0.034) 23.884 3.789 ( 10.320 5.827 0.920) 11.887 4.274 ( -5.925 12.511 4.219) 14.472 5.349 ( -3.371 0.518 -0.741) 3.490 5.519 ( -6.294 -2.365 -2.062) 7.033 6.311 ( -6.921 -2.753 -0.675) 7.479 6.613 ( 3.975 6.007 1.682) 7.397 6.725 ( 2.414 -0.981 2.956) 3.940 7.208 ( -0.319 -0.742 -1.163) 1.416 7.897 ( -8.895 -7.692 -2.430) 12.008 8.692 ( 3.851 -2.673 7.433) 8.787 9.110 ( -3.621 -0.882 -5.135) 6.345 10.893 ( 12.941 4.821 -0.248) 13.812 12.812 ( -14.824 -9.527 -0.211) 17.623 14.563 ( 7.740 7.715 -0.144) 10.929======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.799 ( -0.066 -5.364 3.899) 6.631 2.583 ( 0.119 4.657 -1.454) 4.881 3.254 ( 13.218 6.907 -9.569) 17.720 3.540 ( 11.235 19.671 -0.021) 22.654 4.009 ( 6.471 6.658 1.517) 9.408 4.271 ( -5.778 5.048 5.025) 9.171 5.253 ( -4.821 -2.770 -1.122) 5.672 5.402 ( -2.460 -5.909 0.600) 6.429 6.108 ( -6.385 -9.560 -0.290) 11.500 6.757 ( 4.346 6.175 1.791) 7.761 6.825 ( 4.123 5.036 0.979) 6.581 7.185 ( 0.668 -3.359 -0.587) 3.474 7.643 ( -9.046 -9.390 -2.156) 13.216 8.718 ( 1.127 -3.955 4.402) 6.024 9.061 ( -0.932 1.342 -3.602) 3.956 11.165 ( 7.565 13.017 -0.103) 15.056 12.482 ( -8.584 -15.010 -0.183) 17.292 14.743 ( 4.206 7.125 -0.092) 8.274======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( -0.153 -3.877 -0.308) 3.892 2.625 ( -0.553 4.141 0.371) 4.194 3.498 ( 6.727 12.130 -10.263) 17.254 3.838 ( -0.795 19.069 0.087) 19.086 4.105 ( -5.883 8.567 -0.648) 10.412 4.224 ( -0.128 -5.749 8.530) 10.287 5.171 ( -0.131 -3.168 0.798) 3.269 5.314 ( 1.548 -9.705 0.310) 9.832 5.955 ( 1.686 -11.115 0.067) 11.242 6.880 ( 0.886 7.596 1.001) 7.712 6.915 ( -2.601 7.521 -0.067) 7.959 7.166 ( 1.120 -4.663 -1.203) 4.945 7.438 ( 0.525 -10.659 -0.295) 10.676 8.687 ( -1.097 -2.950 0.694) 3.223 9.074 ( 1.297 1.123 -0.912) 1.943 11.379 ( -4.519 21.417 -0.007) 21.888 12.246 ( 4.051 -21.507 -0.155) 21.885 14.843 ( -0.040 5.258 -0.072) 5.259======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( -0.548 -1.150 -0.951) 1.590 2.641 ( -1.480 2.087 0.617) 2.632 3.657 ( -2.421 16.733 -12.056) 20.765 3.844 ( -16.073 10.296 0.547) 19.096 4.020 ( -5.371 -0.258 1.505) 5.584 4.168 ( -3.379 -7.539 8.375) 11.764 5.208 ( 6.033 -0.437 2.021) 6.378 5.280 ( 5.253 -8.595 -0.923) 10.115 5.964 ( 9.678 -6.908 0.154) 11.891 6.880 ( -6.926 3.609 0.371) 7.819 6.883 ( -9.505 5.181 -0.510) 10.837 7.136 ( 4.159 -3.952 -1.105) 5.842 7.501 ( 12.368 -4.206 0.708) 13.083 8.638 ( -2.019 -1.097 -0.220) 2.308 9.111 ( 2.189 0.256 -0.230) 2.216 11.379 ( -16.200 14.604 -0.002) 21.811 12.248 ( 16.804 -14.063 -0.108) 21.913 14.843 ( -4.451 2.736 -0.057) 5.225======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( -2.812 1.170 1.329) 3.323 2.616 ( -2.264 -0.775 -0.352) 2.419 3.534 ( -22.123 0.128 -0.201) 22.124 3.665 ( -10.018 9.736 -10.733) 17.617 3.961 ( -4.881 0.714 1.826) 5.260 3.999 ( -5.488 -9.556 7.971) 13.600 5.309 ( 4.838 -2.588 -1.596) 5.714 5.360 ( 8.950 1.711 1.440) 9.225 6.125 ( 11.963 -0.451 -0.366) 11.977 6.727 ( -9.132 -0.255 -0.138) 9.136 6.774 ( -7.732 1.194 1.240) 7.921 7.208 ( 4.632 0.843 -0.393) 4.725 7.700 ( 12.429 -1.375 -0.705) 12.525 8.602 ( -2.114 1.100 1.534) 2.834 9.151 ( 2.606 -0.353 -1.124) 2.860 11.169 ( -14.818 0.020 -0.049) 14.818 12.488 ( 17.356 0.034 -0.086) 17.356 14.746 ( -8.188 0.038 -0.043) 8.188======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( -7.042 2.809 5.410) 9.314 2.539 ( -4.088 -3.779 -1.381) 5.736 3.103 ( -23.070 -5.875 -0.066) 23.807 3.513 ( -5.775 -5.942 -5.329) 9.852 3.760 ( -11.612 -1.061 -1.035) 11.706 3.947 ( -5.850 3.915 4.427) 8.315 5.366 ( 1.876 2.292 -0.961) 3.114 5.534 ( 8.155 1.929 -0.950) 8.434 6.306 ( 5.510 2.093 -1.367) 6.050 6.583 ( -7.300 -1.036 0.542) 7.393 6.693 ( -2.027 3.570 3.100) 5.144 7.288 ( 2.680 2.287 -0.271) 3.534 7.868 ( 9.254 -2.842 -2.451) 9.986 8.605 ( -0.992 3.662 5.015) 6.288 9.187 ( 2.809 -0.994 -2.732) 4.043 10.902 ( -10.189 -8.751 -0.099) 13.431 12.818 ( 15.630 8.140 -0.109) 17.623 14.569 ( -10.466 -2.693 -0.053) 10.807======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( -10.886 4.249 9.779) 15.238 2.380 ( -8.251 -5.855 -1.198) 10.188 2.649 ( -20.968 -7.016 -0.256) 22.113 3.365 ( 0.509 -11.506 -1.596) 11.628 3.571 ( -9.856 3.006 -6.596) 12.234 3.858 ( -13.371 8.987 3.775) 16.547 5.407 ( -1.503 5.078 1.322) 5.459 5.658 ( 5.469 0.219 -4.730) 7.234 6.302 ( -5.414 -0.324 0.857) 5.491 6.458 ( -4.549 -1.753 -0.794) 4.939 6.828 ( 5.117 11.229 3.083) 12.719 7.337 ( -0.062 2.594 -0.247) 2.607 7.943 ( 5.273 -5.310 -2.365) 7.848 8.664 ( 0.110 5.099 7.435) 9.016 9.211 ( 3.212 -2.537 -4.053) 5.760 10.664 ( -4.923 -11.477 -0.112) 12.489 13.179 ( 14.168 11.873 -0.155) 18.486 14.339 ( -10.884 -5.646 -0.134) 12.262======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 0.000 0.365 19.479) 19.482 2.120 ( -0.000 8.003 -1.076) 8.075 2.307 ( -0.000 9.592 -0.228) 9.595 2.742 ( -0.000 -4.492 -15.032) 15.688 3.381 ( -0.000 4.399 -1.889) 4.787 4.286 ( -0.000 20.506 2.740) 20.688 5.389 ( -0.000 8.820 -0.265) 8.824 5.828 ( -0.000 -1.797 -2.860) 3.378 6.204 ( -0.000 7.331 1.533) 7.490 6.404 ( -0.000 -2.119 -1.015) 2.349 7.163 ( -0.000 3.492 0.536) 3.533 7.187 ( -0.000 6.589 0.039) 6.589 8.133 ( 0.000 -2.799 2.639) 3.847 8.515 ( 0.000 -2.465 1.287) 2.781 9.304 ( 0.000 -5.679 -1.047) 5.775 10.360 ( 0.000 -6.250 -0.221) 6.254 13.721 ( 0.000 -4.811 -0.037) 4.811 13.932 ( -0.000 6.175 -0.570) 6.201======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( 0.688 -2.837 16.033) 16.297 2.285 ( 10.839 5.270 0.186) 12.054 2.514 ( 12.498 9.490 -0.124) 15.693 2.657 ( 0.771 -4.572 -14.653) 15.369 3.460 ( 5.840 2.401 -0.952) 6.386 4.456 ( -3.174 17.232 2.376) 17.683 5.459 ( -2.201 7.994 -0.520) 8.308 5.757 ( -5.168 -1.190 -2.366) 5.807 6.301 ( 3.069 5.065 -0.202) 5.926 6.432 ( 4.873 -0.571 1.276) 5.070 7.062 ( -13.681 2.795 1.550) 14.049 7.241 ( -0.801 3.341 -0.104) 3.437 8.090 ( -1.790 -5.042 -1.274) 5.500 8.537 ( 4.243 -1.970 4.713) 6.640 9.234 ( -2.426 -2.984 -2.642) 4.666 10.390 ( 10.608 -5.453 -0.028) 11.928 13.456 ( -18.626 -2.895 -0.166) 18.850 14.174 ( 13.763 5.413 -0.275) 14.792======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( 0.787 -5.114 10.529) 11.732 2.527 ( 5.987 3.337 1.289) 6.975 2.664 ( 13.424 -1.221 -11.604) 17.786 2.908 ( 20.396 10.239 -0.006) 22.822 3.624 ( 10.968 1.135 0.236) 11.029 4.529 ( -6.448 12.825 1.619) 14.446 5.455 ( -5.400 4.708 -1.790) 7.385 5.628 ( -7.691 -1.059 -0.784) 7.803 6.385 ( 0.379 2.948 -1.779) 3.464 6.549 ( 7.504 0.305 3.042) 8.103 6.811 ( -13.988 0.181 1.789) 14.103 7.237 ( -2.213 1.267 0.241) 2.562 7.954 ( -6.507 -6.052 -3.202) 9.445 8.616 ( 4.589 -2.209 6.068) 7.922 9.154 ( -3.515 -0.513 -3.586) 5.047 10.611 ( 18.530 -2.064 -0.041) 18.645 13.077 ( -21.051 -3.316 -0.156) 21.311 14.455 ( 12.053 5.420 -0.113) 13.216======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.762 ( -0.288 -5.229 4.696) 7.035 2.593 ( 2.150 2.466 -2.264) 3.979 2.981 ( 19.848 2.507 -2.982) 20.227 3.391 ( 22.183 10.762 -0.061) 24.656 3.849 ( 13.278 0.269 1.068) 13.324 4.500 ( -9.143 7.978 0.649) 12.152 5.359 ( -8.044 1.443 -2.981) 8.699 5.470 ( -8.574 -2.387 1.494) 9.024 6.244 ( -14.846 -2.725 -0.823) 15.117 6.709 ( 9.242 1.447 2.242) 9.619 6.747 ( 3.831 2.358 0.924) 4.592 7.195 ( -3.160 -0.396 0.444) 3.216 7.736 ( -10.543 -5.836 -2.902) 12.395 8.667 ( 2.414 -2.752 4.262) 5.619 9.094 ( -2.459 1.045 -2.816) 3.882 10.964 ( 21.369 2.324 -0.040) 21.495 12.668 ( -21.372 -4.786 -0.103) 21.902 14.687 ( 8.823 4.464 -0.036) 9.888======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( -0.185 -2.850 1.090) 3.057 2.647 ( 1.472 1.923 -0.541) 2.481 3.338 ( 17.562 4.443 -1.377) 18.168 3.847 ( 17.055 9.863 -0.323) 19.704 4.056 ( 9.438 -1.757 1.761) 9.760 4.380 ( -10.884 3.077 -0.446) 11.319 5.220 ( -7.081 0.414 -1.823) 7.323 5.296 ( -7.393 -4.633 1.529) 8.858 5.960 ( -11.197 -4.159 -0.197) 11.946 6.864 ( 5.986 2.827 1.134) 6.717 6.924 ( 10.759 3.573 0.079) 11.337 7.126 ( -3.165 -2.287 0.609) 3.952 7.472 ( -12.525 -4.747 -1.748) 13.508 8.671 ( 0.339 -2.103 1.348) 2.521 9.076 ( -0.475 1.141 -0.927) 1.545 11.379 ( 20.854 6.830 -0.008) 21.944 12.243 ( -20.532 -7.377 -0.045) 21.817 14.841 ( 4.691 2.547 -0.009) 5.338======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 0.500 0.206 0.001) 0.540 2.667 ( -0.297 -0.155 0.009) 0.336 3.659 ( 13.259 6.077 -0.024) 14.585 4.052 ( -5.144 -0.227 0.201) 5.153 4.133 ( 3.847 -4.852 -0.481) 6.211 4.196 ( -10.088 -0.063 0.301) 10.093 5.163 ( -0.069 2.031 -0.046) 2.033 5.170 ( -1.101 -2.571 0.042) 2.797 5.834 ( 0.153 0.028 -0.001) 0.156 6.972 ( 1.418 -0.011 0.073) 1.420 7.038 ( -1.050 -1.603 -0.239) 1.931 7.101 ( -2.263 1.185 0.185) 2.561 7.288 ( 2.435 0.679 -0.019) 2.528 8.655 ( -0.690 -0.330 0.000) 0.765 9.087 ( 0.847 0.381 -0.000) 0.929 11.811 ( -19.824 -8.850 -0.000) 21.709 11.814 ( 19.974 8.917 0.000) 21.874 14.896 ( 0.061 0.027 0.000) 0.067======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 0.233 2.573 1.017) 2.777 2.631 ( -1.921 -2.951 -0.572) 3.567 3.823 ( -14.447 -8.367 -0.684) 16.709 3.850 ( -5.966 -14.640 6.310) 17.021 3.933 ( -0.676 10.749 -4.988) 11.869 4.099 ( -6.238 -5.150 -0.315) 8.095 5.181 ( 4.678 -0.422 -1.302) 4.874 5.293 ( 6.352 8.100 0.766) 10.323 5.960 ( 9.367 6.559 -0.340) 11.440 6.865 ( -8.668 -4.445 -0.563) 9.757 6.903 ( -6.143 -3.681 0.965) 7.226 7.158 ( 3.363 5.213 1.411) 6.362 7.482 ( 11.644 2.978 -1.599) 12.124 8.649 ( -0.956 1.815 1.059) 2.308 9.108 ( 1.562 -0.310 -0.644) 1.718 11.379 ( -16.184 -14.594 -0.007) 21.792 12.249 ( 16.758 14.163 -0.012) 21.941 14.844 ( -4.451 -2.669 0.006) 5.190======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( -1.999 3.863 3.778) 5.761 2.543 ( -2.833 -5.558 -1.702) 6.467 3.387 ( -20.203 -13.718 -0.051) 24.420 3.529 ( -9.640 -16.027 0.151) 18.704 3.899 ( -8.117 -5.999 -0.058) 10.093 4.080 ( -0.176 10.726 -0.286) 10.732 5.286 ( 6.630 1.653 -2.568) 7.299 5.489 ( 5.006 8.941 0.968) 10.293 6.219 ( 9.119 8.433 -1.137) 12.473 6.695 ( -6.166 -1.873 1.938) 6.730 6.777 ( -4.817 -1.329 0.747) 5.053 7.268 ( 3.207 4.235 1.118) 5.429 7.683 ( 9.342 0.977 -2.896) 9.829 8.669 ( -0.512 3.545 3.952) 5.333 9.129 ( 1.894 -0.780 -2.473) 3.210 10.967 ( -12.479 -17.419 -0.024) 21.428 12.675 ( 14.859 16.172 -0.062) 21.962 14.693 ( -8.179 -5.226 -0.003) 9.706======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( -5.980 4.318 7.591) 10.585 2.416 ( -4.201 -6.611 -2.099) 8.110 2.904 ( -19.236 -12.550 -0.072) 22.969 3.239 ( -3.493 -16.081 -2.347) 16.623 3.714 ( -7.620 -2.445 -2.716) 8.451 4.135 ( -6.076 10.412 2.241) 12.262 5.409 ( 5.446 2.371 -2.472) 6.434 5.629 ( 1.361 7.260 0.002) 7.386 6.327 ( -0.106 -1.039 -1.347) 1.704 6.574 ( -8.014 -0.907 2.407) 8.416 6.850 ( 6.615 11.949 1.292) 13.718 7.353 ( 1.640 3.444 0.959) 3.933 7.799 ( 5.624 -1.938 -3.145) 6.728 8.723 ( 0.637 3.865 7.237) 8.229 9.138 ( 1.464 -1.662 -4.968) 5.440 10.618 ( -6.996 -17.288 -0.007) 18.650 13.084 ( 13.350 16.587 -0.115) 21.293 14.464 ( -10.657 -7.486 -0.062) 13.023======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 0.000 -6.545 14.116) 15.559 2.222 ( -0.000 3.454 -0.979) 3.590 2.479 ( -0.000 7.112 -0.072) 7.112 2.575 ( -0.000 -3.587 -11.271) 11.828 3.422 ( -0.000 1.034 -0.658) 1.226 4.647 ( -0.000 13.804 1.312) 13.866 5.560 ( -0.000 7.658 -1.477) 7.799 5.789 ( -0.000 -1.020 -0.514) 1.142 6.305 ( -0.000 1.806 -2.477) 3.066 6.393 ( 0.000 1.564 3.171) 3.536 7.225 ( 0.000 1.894 2.089) 2.820 7.298 ( -0.000 4.536 -0.366) 4.551 8.057 ( -0.000 -4.112 -1.832) 4.502 8.475 ( 0.000 -2.996 4.051) 5.038 9.228 ( -0.000 -1.161 -2.309) 2.585 10.229 ( 0.000 -6.219 0.148) 6.221 13.639 ( 0.000 -3.244 -0.023) 3.244 14.062 ( -0.000 6.238 -0.263) 6.244======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( 1.267 -6.934 9.538) 11.860 2.358 ( 12.028 2.060 0.176) 12.204 2.532 ( 0.985 -0.972 -7.277) 7.407 2.669 ( 14.234 5.414 -0.035) 15.229 3.479 ( 5.925 0.257 0.165) 5.933 4.733 ( -3.658 9.283 -0.038) 9.978 5.586 ( -3.915 5.176 -3.398) 7.326 5.736 ( -5.097 -0.633 1.433) 5.332 6.349 ( 4.405 1.224 -2.956) 5.444 6.456 ( 3.786 0.913 3.820) 5.455 7.112 ( -15.373 1.321 1.458) 15.499 7.295 ( -2.538 1.768 0.537) 3.139 7.984 ( -3.424 -3.443 -3.165) 5.796 8.516 ( 5.476 -2.464 4.610) 7.571 9.197 ( -2.297 0.218 -2.223) 3.204 10.291 ( 12.975 -3.985 0.089) 13.574 13.411 ( -18.620 -1.504 -0.051) 18.681 14.272 ( 13.430 3.937 -0.058) 13.996======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 0.933 -4.681 4.640) 6.657 2.552 ( 3.633 0.565 -5.222) 6.387 2.656 ( 18.297 1.971 3.950) 18.822 3.052 ( 23.344 3.849 -0.050) 23.660 3.629 ( 11.069 -0.371 0.703) 11.097 4.706 ( -7.057 4.405 -1.551) 8.462 5.512 ( -7.538 2.951 -4.919) 9.473 5.615 ( -8.488 -1.181 3.140) 9.127 6.425 ( -1.507 2.548 -3.324) 4.451 6.545 ( 7.055 -2.363 4.056) 8.474 6.829 ( -13.313 0.416 0.929) 13.352 7.257 ( -3.328 0.290 0.843) 3.446 7.853 ( -7.722 -1.799 -2.629) 8.353 8.596 ( 4.334 -2.115 3.364) 5.880 9.148 ( -3.111 0.943 -1.560) 3.606 10.577 ( 21.842 -1.026 0.010) 21.866 13.035 ( -22.724 -0.975 -0.002) 22.745 14.533 ( 12.511 2.120 0.038) 12.689======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( 0.110 -1.584 1.351) 2.085 2.614 ( 3.282 0.654 -1.568) 3.696 3.031 ( 20.663 1.820 4.888) 21.311 3.506 ( 25.170 0.059 -0.081) 25.170 3.843 ( 13.162 -0.492 0.557) 13.183 4.571 ( -9.804 -0.657 -3.097) 10.303 5.377 ( -9.102 2.432 -3.988) 10.230 5.438 ( -10.589 -1.979 2.820) 11.136 6.214 ( -18.113 0.354 -0.372) 18.120 6.715 ( 12.456 -0.865 0.224) 12.488 6.781 ( 3.893 -0.443 0.798) 3.999 7.192 ( -4.285 -0.220 0.599) 4.332 7.674 ( -11.646 1.303 -1.007) 11.762 8.636 ( 2.027 -1.570 0.861) 2.704 9.109 ( -2.167 1.058 -0.116) 2.414 10.987 ( 24.886 0.012 0.009) 24.886 12.620 ( -24.091 0.055 0.074) 24.091 14.733 ( 9.099 0.021 0.063) 9.099======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( 0.652 1.167 -0.272) 1.364 2.651 ( 1.195 -1.254 -0.062) 1.734 3.411 ( 18.854 0.952 7.282) 20.233 3.851 ( 17.505 -9.889 0.023) 20.105 4.034 ( 7.655 0.042 -0.936) 7.712 4.347 ( -11.009 -5.289 -4.572) 13.042 5.247 ( -8.280 -0.188 1.288) 8.382 5.266 ( -6.620 4.547 -1.958) 8.267 5.963 ( -11.280 4.467 0.209) 12.135 6.856 ( 6.052 -4.043 0.224) 7.282 6.915 ( 11.055 -4.286 -1.067) 11.905 7.122 ( -3.705 2.322 0.065) 4.373 7.496 ( -12.200 6.691 1.128) 13.960 8.650 ( 0.948 -0.167 -1.141) 1.493 9.093 ( -0.865 0.604 1.108) 1.530 11.379 ( 20.820 -6.794 0.010) 21.900 12.245 ( -20.515 7.489 0.142) 21.839 14.842 ( 4.686 -2.503 0.059) 5.313======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( 1.545 3.038 -0.528) 3.449 2.624 ( -1.367 -3.883 0.229) 4.123 3.686 ( 9.674 -8.020 12.252) 17.550 3.841 ( -1.250 -19.341 0.503) 19.388 4.065 ( -4.503 3.748 -10.925) 12.396 4.106 ( -4.179 -9.053 -0.491) 9.983 5.167 ( -1.818 2.927 0.362) 3.465 5.305 ( 2.643 9.864 -0.738) 10.238 5.955 ( 1.265 11.068 0.187) 11.142 6.865 ( 1.021 -8.541 -0.594) 8.623 6.913 ( -1.543 -6.843 -0.336) 7.023 7.174 ( 2.897 5.073 -0.368) 5.853 7.455 ( -2.191 10.700 1.568) 11.034 8.669 ( 0.817 1.812 -1.327) 2.390 9.092 ( -0.004 -0.007 1.175) 1.175 11.379 ( -4.534 -21.349 0.010) 21.826 12.248 ( 4.003 21.561 0.125) 21.930 14.844 ( -0.042 -5.204 0.049) 5.204======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( 1.397 3.890 0.539) 4.168 2.531 ( -3.196 -6.257 -0.297) 7.032 3.499 ( -12.413 -21.461 0.005) 24.792 3.525 ( -9.362 -18.888 3.850) 21.430 3.932 ( -4.689 -9.055 1.942) 10.380 4.147 ( 4.038 10.072 -5.074) 11.979 5.223 ( 3.049 4.409 -0.596) 5.394 5.497 ( 5.924 10.667 0.094) 12.202 6.175 ( 7.430 12.531 -0.245) 14.570 6.753 ( -2.890 -3.763 0.368) 4.759 6.813 ( -3.087 -5.597 -0.104) 6.393 7.271 ( 2.497 4.966 0.618) 5.592 7.585 ( 4.748 6.791 -0.535) 8.303 8.707 ( 0.786 3.134 0.373) 3.252 9.097 ( 0.561 -0.370 -0.072) 0.675 10.988 ( -12.434 -21.549 0.005) 24.879 12.627 ( 12.099 20.900 0.038) 24.150 14.739 ( -4.435 -7.703 0.033) 8.889======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( -0.632 3.945 3.142) 5.083 2.404 ( -3.223 -6.607 -1.221) 7.452 3.049 ( -14.962 -18.229 -0.028) 23.583 3.165 ( -8.748 -18.673 -0.950) 20.642 3.777 ( -4.774 -5.211 -0.742) 7.107 4.281 ( 0.588 8.286 0.818) 8.347 5.334 ( 4.737 3.877 -1.392) 6.277 5.681 ( 3.247 8.882 0.409) 9.466 6.312 ( 0.125 -0.581 -0.633) 0.869 6.683 ( -5.544 -3.233 1.735) 6.648 6.845 ( 7.861 12.492 -0.258) 14.761 7.358 ( 2.118 3.753 0.751) 4.374 7.710 ( 4.026 2.600 -1.532) 5.032 8.756 ( 0.904 2.425 3.075) 4.019 9.100 ( 0.477 -0.487 -2.321) 2.419 10.577 ( -9.958 -19.602 0.007) 21.986 13.042 ( 12.202 19.139 -0.042) 22.698 14.543 ( -7.960 -9.527 -0.016) 12.414======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 0.000 -6.413 7.246) 9.676 2.263 ( -0.000 1.199 -0.368) 1.254 2.508 ( -0.000 0.759 -2.656) 2.762 2.577 ( -0.000 2.528 -0.041) 2.529 3.432 ( 0.000 0.244 0.754) 0.792 4.832 ( -0.000 4.494 -1.731) 4.816 5.655 ( -0.000 3.607 -4.895) 6.081 5.782 ( 0.000 -0.770 3.232) 3.323 6.301 ( -0.000 0.248 -2.000) 2.015 6.445 ( 0.000 0.748 2.573) 2.679 7.257 ( 0.000 0.138 2.190) 2.194 7.360 ( -0.000 1.714 -0.478) 1.780 7.983 ( -0.000 -1.242 -3.296) 3.522 8.444 ( 0.000 -2.122 4.322) 4.815 9.218 ( -0.000 0.654 -1.440) 1.582 10.136 ( 0.000 -2.631 0.055) 2.631 13.594 ( 0.000 -1.139 -0.007) 1.139 14.154 ( -0.000 2.565 0.078) 2.566======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.663 ( 1.974 -3.324 3.547) 5.247 2.370 ( 10.704 -0.070 -1.576) 10.820 2.546 ( 2.838 3.099 3.624) 5.549 2.725 ( 14.961 0.013 -0.023) 14.961 3.485 ( 5.532 0.070 1.279) 5.679 4.813 ( -3.677 -0.492 -3.432) 5.054 5.630 ( -4.306 2.084 -5.475) 7.271 5.734 ( -5.245 -1.465 3.906) 6.702 6.355 ( 5.762 1.174 -2.257) 6.299 6.472 ( 2.242 -1.523 2.652) 3.792 7.127 ( -15.817 -0.498 0.967) 15.854 7.314 ( -3.200 -0.120 0.514) 3.243 7.942 ( -3.591 0.956 -2.713) 4.600 8.498 ( 5.344 -1.379 3.338) 6.450 9.202 ( -2.140 0.803 -0.743) 2.404 10.248 ( 13.910 -0.039 -0.024) 13.910 13.396 ( -18.406 0.027 0.051) 18.406 14.314 ( 13.116 0.043 0.170) 13.117======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 1.589 -0.668 0.168) 1.732 2.531 ( 7.045 -0.108 -3.992) 8.098 2.745 ( 14.740 2.817 10.659) 18.407 3.052 ( 23.356 -3.818 -0.018) 23.666 3.631 ( 10.638 0.131 1.038) 10.690 4.678 ( -7.096 -5.361 -4.964) 10.185 5.530 ( -7.131 0.752 -3.929) 8.177 5.603 ( -8.894 -1.079 2.842) 9.400 6.446 ( -3.243 0.556 -2.476) 4.118 6.516 ( 8.552 -1.705 2.166) 8.985 6.825 ( -13.266 -1.242 0.448) 13.332 7.258 ( -3.335 -0.533 0.915) 3.499 7.865 ( -7.296 3.833 -1.191) 8.327 8.574 ( 3.787 -1.172 0.778) 4.040 9.165 ( -2.814 1.020 0.516) 3.037 10.577 ( 21.881 1.032 0.002) 21.905 13.036 ( -22.708 1.060 0.147) 22.733 14.534 ( 12.483 -2.066 0.169) 12.654======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 1.200 0.693 -2.199) 2.599 2.604 ( 2.911 -1.042 -0.630) 3.155 3.104 ( 19.408 1.108 11.196) 22.433 3.391 ( 22.188 -10.773 -0.021) 24.665 3.839 ( 12.360 -0.777 -0.052) 12.384 4.441 ( -9.649 -9.206 -6.530) 14.849 5.391 ( -7.577 -1.077 0.258) 7.658 5.449 ( -9.527 3.439 -0.559) 10.144 6.253 ( -15.218 3.260 0.224) 15.565 6.677 ( 9.638 -2.688 -1.433) 10.108 6.739 ( 3.694 -3.454 0.030) 5.057 7.201 ( -3.197 0.896 1.104) 3.499 7.766 ( -10.071 7.014 0.490) 12.283 8.613 ( 2.337 -0.514 -2.104) 3.186 9.134 ( -2.299 1.080 2.018) 3.244 10.965 ( 21.381 -2.233 0.087) 21.498 12.670 ( -21.368 4.859 0.206) 21.914 14.689 ( 8.794 -4.422 0.136) 9.844======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( 2.386 1.431 -3.516) 4.483 2.605 ( -0.394 -3.398 1.061) 3.582 3.445 ( 14.955 -3.558 13.014) 20.141 3.542 ( 11.501 -19.287 0.491) 22.461 3.983 ( 6.324 -6.070 -1.526) 8.898 4.156 ( -8.614 -7.779 -9.048) 14.717 5.278 ( -5.669 2.644 1.900) 6.537 5.386 ( -2.531 7.351 -1.426) 7.904 6.116 ( -6.637 9.611 0.621) 11.696 6.732 ( 4.370 -6.910 -0.965) 8.233 6.802 ( 5.171 -5.471 -1.784) 7.737 7.197 ( 0.044 4.217 0.802) 4.293 7.678 ( -9.100 9.205 1.936) 13.087 8.647 ( 2.491 1.156 -3.915) 4.782 9.117 ( -1.665 0.789 2.990) 3.512 11.167 ( 7.501 -12.897 0.114) 14.920 12.485 ( -8.596 15.046 0.201) 17.329 14.745 ( 4.189 -7.079 0.101) 8.226======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 3.611 1.717 -3.765) 5.492 2.529 ( -3.236 -5.696 1.546) 6.731 3.386 ( -1.743 -24.323 0.096) 24.386 3.496 ( -5.054 -15.434 8.047) 18.125 3.891 ( -1.146 -10.800 1.185) 10.925 4.114 ( 5.982 4.499 -7.572) 10.647 5.269 ( -1.590 6.162 1.773) 6.606 5.496 ( 5.060 8.687 -0.738) 10.080 6.211 ( 2.839 11.761 0.691) 12.119 6.711 ( 1.897 -5.249 -2.143) 5.978 6.781 ( 0.249 -5.061 -0.236) 5.073 7.274 ( 2.519 4.829 -0.388) 5.460 7.661 ( -3.646 8.303 2.329) 9.362 8.702 ( 2.606 2.652 -4.135) 5.561 9.106 ( -1.165 0.350 3.121) 3.349 10.967 ( -8.813 -19.523 0.058) 21.420 12.674 ( 6.618 20.941 0.139) 21.962 14.693 ( -0.412 -9.706 0.067) 9.715======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( 0.000 -1.148 1.010) 1.529 2.269 ( 0.000 -0.628 0.295) 0.694 2.575 ( 0.000 5.076 5.272) 7.319 2.577 ( 0.000 -2.497 -0.018) 2.497 3.443 ( 0.000 0.051 2.178) 2.179 4.804 ( -0.000 -5.319 -5.118) 7.381 5.663 ( -0.000 -0.553 -4.255) 4.291 5.777 ( 0.000 -1.168 2.872) 3.100 6.309 ( -0.000 1.566 -1.256) 2.007 6.434 ( 0.000 -3.040 1.528) 3.403 7.254 ( 0.000 -1.367 1.880) 2.324 7.360 ( 0.000 -1.424 -0.408) 1.481 7.978 ( -0.000 2.337 -3.846) 4.500 8.445 ( 0.000 -0.084 4.196) 4.196 9.227 ( -0.000 0.695 -0.324) 0.766 10.135 ( -0.000 2.545 -0.078) 2.546 13.594 ( -0.000 1.152 0.009) 1.152 14.156 ( 0.000 -2.439 0.367) 2.466======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 2.040 -0.278 -2.279) 3.071 2.347 ( 9.343 -1.658 -0.779) 9.521 2.668 ( 13.028 -4.378 1.161) 13.793 2.680 ( 4.617 5.102 8.673) 11.071 3.496 ( 5.388 -0.102 2.395) 5.898 4.681 ( -3.670 -9.776 -6.415) 12.255 5.600 ( -3.523 -3.798 -1.780) 5.478 5.731 ( -5.156 0.723 0.967) 5.296 6.376 ( 5.505 2.063 -1.991) 6.207 6.420 ( 2.262 -4.804 1.767) 5.596 7.105 ( -15.635 -2.047 0.700) 15.784 7.299 ( -2.410 -1.667 1.030) 3.106 7.983 ( -2.033 4.216 -3.307) 5.731 8.499 ( 3.778 -0.038 2.505) 4.533 9.219 ( -1.745 1.118 0.458) 2.122 10.290 ( 13.042 4.006 -0.024) 13.643 13.413 ( -18.544 1.561 0.135) 18.610 14.275 ( 13.338 -3.861 0.336) 13.890======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 2.171 -1.449 -5.168) 5.789 2.495 ( 8.563 -2.149 -1.988) 9.050 2.886 ( 11.244 4.174 13.859) 18.329 2.908 ( 20.119 -9.876 0.420) 22.416 3.632 ( 9.866 -1.236 1.387) 10.039 4.454 ( -6.767 -13.125 -7.482) 16.554 5.472 ( -5.109 -4.965 0.319) 7.131 5.636 ( -7.832 3.299 0.108) 8.499 6.404 ( -0.010 -3.828 0.059) 3.828 6.509 ( 7.693 0.243 -1.342) 7.812 6.795 ( -14.501 -1.489 -0.028) 14.577 7.253 ( -2.039 -0.611 2.078) 2.975 7.969 ( -5.184 6.497 -1.656) 8.475 8.555 ( 2.749 -0.590 -1.070) 3.009 9.198 ( -2.545 1.768 1.787) 3.576 10.613 ( 18.611 2.237 0.164) 18.746 13.080 ( -21.028 3.364 0.228) 21.297 14.458 ( 11.982 -5.371 0.247) 13.133======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 3.306 -2.666 -7.125) 8.294 2.563 ( 2.596 -3.232 0.114) 4.147 3.105 ( 16.483 -17.097 -0.006) 23.749 3.200 ( 15.523 1.350 15.322) 21.853 3.778 ( 9.125 -5.945 -0.299) 10.894 4.166 ( -7.370 -13.164 -8.877) 17.504 5.363 ( -2.895 -1.645 0.882) 3.445 5.544 ( -7.368 5.585 0.819) 9.282 6.322 ( -6.842 2.411 0.618) 7.281 6.592 ( 3.893 -5.069 -0.724) 6.433 6.676 ( 2.384 -1.175 -2.740) 3.818 7.239 ( -0.564 1.743 2.432) 3.045 7.921 ( -8.122 7.452 0.334) 11.027 8.592 ( 3.077 0.275 -4.478) 5.440 9.178 ( -2.688 1.944 3.094) 4.536 10.898 ( 12.895 -4.578 0.299) 13.687 12.816 ( -14.831 9.528 0.218) 17.630 14.566 ( 7.691 -7.666 0.175) 10.861======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( 5.551 -2.958 -7.792) 10.014 2.526 ( -1.755 -5.560 1.757) 6.089 3.103 ( 6.446 -22.960 0.075) 23.848 3.432 ( 3.650 -5.770 13.555) 15.177 3.763 ( 1.979 -12.316 -1.367) 12.549 4.002 ( 4.299 -4.248 -8.270) 10.243 5.356 ( 0.099 3.534 1.257) 3.752 5.525 ( -1.457 6.565 1.146) 6.822 6.296 ( -1.217 5.796 1.131) 6.030 6.590 ( 3.682 -6.949 -1.251) 7.963 6.718 ( 3.285 0.621 -3.043) 4.521 7.283 ( 1.608 3.491 1.115) 4.002 7.849 ( -7.924 6.303 2.153) 10.352 8.652 ( 4.018 2.155 -6.499) 7.939 9.159 ( -2.619 1.409 4.148) 5.104 10.901 ( -2.397 -13.219 0.208) 13.436 12.817 ( -0.751 17.602 0.184) 17.619 14.568 ( 2.932 -10.423 0.118) 10.829======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( -0.000 -0.978 -5.329) 5.418 2.237 ( 0.000 -3.054 0.753) 3.145 2.479 ( 0.000 -7.107 -0.060) 7.108 2.752 ( 0.000 7.838 10.118) 12.799 3.454 ( 0.000 -0.792 3.505) 3.594 4.576 ( -0.000 -13.754 -7.379) 15.609 5.571 ( 0.000 -7.191 -0.109) 7.192 5.791 ( -0.000 2.051 -0.384) 2.087 6.340 ( -0.000 -3.768 -2.381) 4.457 6.352 ( 0.000 0.074 2.277) 2.278 7.231 ( 0.000 -2.175 2.846) 3.582 7.299 ( 0.000 -4.402 -0.265) 4.410 8.016 ( -0.000 3.637 -5.997) 7.014 8.483 ( 0.000 1.486 4.301) 4.550 9.248 ( -0.000 1.702 0.064) 1.703 10.229 ( -0.000 6.366 0.100) 6.367 13.639 ( -0.000 3.256 0.023) 3.256 14.069 ( 0.000 -6.123 0.550) 6.147======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( 1.493 -3.844 -8.125) 9.112 2.286 ( 9.113 -4.711 0.101) 10.259 2.513 ( 12.480 -9.675 -0.172) 15.792 2.880 ( 2.698 7.082 12.517) 14.632 3.492 ( 4.852 -2.385 3.182) 6.273 4.371 ( -3.335 -16.704 -7.994) 18.816 5.471 ( -2.232 -8.025 0.950) 8.384 5.776 ( -4.357 3.204 -0.210) 5.412 6.300 ( 3.144 -7.147 -0.315) 7.814 6.416 ( 4.036 2.305 -0.550) 4.680 7.054 ( -14.734 -3.458 0.555) 15.145 7.265 ( -0.101 -2.679 2.689) 3.797 8.050 ( 0.810 4.310 -5.625) 7.132 8.521 ( 1.035 0.870 2.481) 2.825 9.258 ( -1.335 2.737 0.303) 3.061 10.394 ( 10.668 5.790 0.369) 12.144 13.459 ( -18.535 2.946 0.188) 18.769 14.179 ( 13.623 -5.375 0.383) 14.650======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( 2.954 -7.113 -10.162) 12.750 2.409 ( 9.835 -6.174 -0.730) 11.635 2.657 ( 15.973 -14.084 -0.164) 21.296 3.066 ( 8.108 4.530 15.318) 17.913 3.570 ( 7.537 -6.327 1.533) 9.959 4.099 ( -5.192 -17.224 -8.710) 19.987 5.366 ( -1.584 -5.364 0.996) 5.681 5.719 ( -6.228 4.099 1.610) 7.628 6.300 ( 4.309 -6.265 -0.686) 7.635 6.498 ( 3.619 -0.688 -0.877) 3.787 6.774 ( -12.364 -0.258 -1.062) 12.413 7.256 ( 0.376 -0.859 3.772) 3.887 8.078 ( -2.248 5.037 -3.307) 6.431 8.543 ( 1.156 0.255 -1.425) 1.852 9.258 ( -2.539 3.396 1.230) 4.415 10.653 ( 12.854 1.189 0.601) 12.923 13.178 ( -17.368 6.440 0.192) 18.525 14.337 ( 10.389 -6.495 0.261) 12.255======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 6.316 -8.180 -10.776) 14.930 2.456 ( 3.436 -8.099 0.134) 8.799 2.730 ( 11.046 -19.692 0.214) 22.580 3.325 ( 11.360 2.104 16.454) 20.105 3.591 ( 3.346 -11.771 -0.968) 12.275 3.849 ( -0.259 -13.444 -9.255) 16.324 5.338 ( 2.130 -1.053 -0.136) 2.380 5.667 ( -5.462 5.046 3.722) 8.316 6.305 ( 2.759 -4.686 -0.770) 5.492 6.494 ( -0.225 -4.105 1.329) 4.321 6.693 ( 0.669 4.852 -4.245) 6.481 7.284 ( 1.674 0.933 2.935) 3.506 8.039 ( -6.683 3.773 -0.056) 7.675 8.583 ( 3.715 1.651 -5.269) 6.655 9.243 ( -3.442 3.011 2.446) 5.187 10.789 ( 3.951 -6.352 0.517) 7.498 13.049 ( -7.785 13.442 0.154) 15.534 14.396 ( 5.285 -9.077 0.190) 10.505======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( -0.000 -6.498 -10.653) 12.478 2.138 ( 0.000 -8.064 1.046) 8.131 2.306 ( 0.000 -9.445 -0.328) 9.451 2.957 ( 0.000 5.405 11.325) 12.548 3.428 ( 0.000 -4.590 4.121) 6.169 4.197 ( -0.000 -19.004 -8.140) 20.674 5.406 ( 0.000 -8.662 1.731) 8.834 5.846 ( -0.000 3.461 -0.827) 3.558 6.188 ( 0.000 -8.644 -0.454) 8.656 6.412 ( -0.000 3.430 -0.020) 3.430 7.185 ( 0.000 -6.757 -0.116) 6.758 7.198 ( 0.000 -3.222 4.578) 5.599 8.042 ( -0.000 2.190 -7.354) 7.673 8.543 ( 0.000 2.146 4.045) 4.579 9.301 ( -0.000 4.085 -1.457) 4.337 10.369 ( -0.000 6.776 0.783) 6.822 13.721 ( -0.000 4.821 0.036) 4.821 13.942 ( 0.000 -6.128 0.535) 6.152======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( 0.800 -10.044 -12.442) 16.010 2.134 ( 9.887 -11.519 0.725) 15.198 2.305 ( 9.911 -10.206 -0.655) 14.241 3.045 ( 3.229 0.736 11.830) 12.285 3.405 ( 3.574 -9.106 3.358) 10.343 3.964 ( -2.565 -17.773 -7.991) 19.655 5.327 ( -0.527 -6.169 1.933) 6.486 5.843 ( -3.718 2.943 0.408) 4.760 6.142 ( 4.534 -7.836 -0.992) 9.108 6.459 ( 1.382 2.171 -0.400) 2.604 6.972 ( -11.861 -4.848 0.132) 12.815 7.222 ( 2.408 -3.685 4.763) 6.486 8.073 ( 3.400 0.699 -6.427) 7.305 8.563 ( -1.392 2.064 2.589) 3.591 9.334 ( -1.245 5.246 -1.882) 5.711 10.502 ( 7.433 4.050 1.094) 8.535 13.534 ( -16.870 4.586 0.142) 17.483 14.087 ( 12.434 -3.531 0.292) 12.929======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( 4.336 -12.059 -13.023) 18.271 2.209 ( 11.936 -14.379 -0.194) 18.689 2.375 ( 10.028 -13.215 -0.217) 16.591 3.163 ( 9.868 -5.341 11.238) 15.880 3.385 ( 6.928 -13.864 2.430) 15.688 3.733 ( -4.329 -11.333 -7.163) 14.089 5.291 ( 0.982 -2.186 0.805) 2.529 5.799 ( -4.150 2.201 3.015) 5.582 6.159 ( 5.192 -6.852 -1.179) 8.678 6.478 ( -0.141 -0.898 0.206) 0.932 6.770 ( -6.220 0.537 -1.930) 6.535 7.250 ( 2.870 -2.169 4.476) 5.742 8.105 ( 1.153 -0.951 -4.301) 4.553 8.564 ( -0.772 2.610 -0.136) 2.725 9.346 ( -3.169 5.346 -0.969) 6.290 10.654 ( 6.619 -1.643 0.997) 6.892 13.343 ( -12.167 9.945 0.060) 15.714 14.215 ( 7.027 -5.499 0.235) 8.925======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( -0.000 -12.045 -13.936) 18.420 1.904 ( 0.000 -15.718 1.253) 15.768 2.118 ( 0.000 -9.385 -0.757) 9.416 3.006 ( 0.000 -8.367 8.600) 11.999 3.258 ( 0.000 -17.327 2.782) 17.549 3.818 ( -0.000 -10.790 -5.168) 11.964 5.285 ( 0.000 -3.711 2.644) 4.557 5.911 ( -0.000 3.401 -1.317) 3.647 6.005 ( 0.000 -8.919 -0.759) 8.951 6.481 ( -0.000 3.392 -0.044) 3.392 7.035 ( 0.000 -8.075 0.057) 8.075 7.146 ( 0.000 -5.014 6.144) 7.930 8.001 ( -0.000 -3.659 -5.636) 6.719 8.616 ( 0.000 3.504 3.205) 4.749 9.397 ( -0.000 7.084 -4.310) 8.292 10.483 ( 0.000 3.490 1.539) 3.814 13.827 ( -0.000 5.569 0.042) 5.569 13.859 ( 0.000 -1.855 0.231) 1.870======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 0.485 -13.930 -14.446) 20.074 1.835 ( 10.432 -18.034 0.844) 20.851 2.096 ( 8.047 -10.836 -0.893) 13.527 2.942 ( 5.383 -16.454 6.602) 18.528 3.078 ( 5.277 -26.121 -0.086) 26.649 3.728 ( -2.737 -1.284 -1.086) 3.213 5.275 ( 0.051 0.246 2.134) 2.149 5.864 ( -2.813 -2.311 0.121) 3.642 6.014 ( 4.963 -2.732 -1.243) 5.800 6.496 ( -1.588 1.664 0.009) 2.300 6.867 ( -7.194 -5.512 -0.261) 9.067 7.163 ( 4.427 -5.287 5.791) 9.005 7.979 ( 5.167 -7.910 -4.760) 10.579 8.643 ( -2.475 4.906 2.685) 6.116 9.448 ( -1.692 7.843 -4.472) 9.186 10.552 ( 4.305 0.092 1.487) 4.556 13.649 ( -12.755 6.977 -0.062) 14.539 14.050 ( 8.623 -0.387 0.149) 8.633======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.887 ( -0.000 -14.456 -14.539) 20.502 1.544 ( 0.000 -20.744 1.645) 20.809 1.905 ( 0.000 -11.411 -1.258) 11.480 2.702 ( 0.000 -25.155 5.197) 25.687 2.713 ( 0.000 -33.611 -2.723) 33.721 3.766 ( 0.000 2.842 1.818) 3.374 5.307 ( 0.000 4.515 2.610) 5.215 5.836 ( 0.000 -7.265 -0.764) 7.305 5.967 ( -0.000 3.553 -2.827) 4.541 6.542 ( -0.000 2.776 -0.477) 2.817 6.872 ( 0.000 -8.049 0.470) 8.063 7.058 ( 0.000 -7.357 6.908) 10.092 7.799 ( 0.000 -14.612 -3.053) 14.927 8.735 ( 0.000 6.784 3.400) 7.589 9.535 ( -0.000 9.266 -6.206) 11.152 10.517 ( 0.000 -0.746 1.580) 1.747 13.878 ( -0.000 3.563 -0.270) 3.573 13.938 ( -0.000 5.351 0.040) 5.351======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.328 ( 0.000 -0.000 19.709) 19.709 0.328 ( 0.000 -0.000 19.709) 19.709 0.827 ( 0.000 -0.000 50.307) 50.307 1.344 ( -0.000 0.000 -2.621) 2.621 1.344 ( -0.000 0.000 -2.621) 2.621 3.899 ( -0.000 0.000 -10.664) 10.664 5.649 ( 0.000 -0.000 2.665) 2.665 5.649 ( 0.000 -0.000 2.665) 2.665 6.127 ( 0.000 -0.000 0.232) 0.232 6.472 ( -0.000 0.000 -8.393) 8.393 6.472 ( -0.000 0.000 -8.393) 8.393 6.716 ( 0.000 -0.000 5.937) 5.937 6.716 ( 0.000 -0.000 5.937) 5.937 8.455 ( -0.000 0.000 -0.757) 0.757 10.410 ( 0.000 -0.000 0.413) 0.413 10.672 ( 0.000 -0.000 0.289) 0.289 14.124 ( -0.000 0.000 -0.002) 0.002 14.124 ( -0.000 0.000 -0.002) 0.002======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.739 ( 20.335 11.740 11.737) 26.251 0.803 ( 13.095 7.560 23.083) 27.595 1.132 ( 24.919 14.387 26.629) 39.205 1.397 ( 6.162 3.558 -4.097) 8.211 1.643 ( 21.890 12.638 -0.458) 25.280 3.791 ( -3.001 -1.733 -12.033) 12.522 5.676 ( 1.793 1.035 3.044) 3.682 5.764 ( -9.180 -5.300 -7.613) 13.050 5.869 ( -3.175 -1.833 -6.543) 7.500 6.445 ( 0.317 0.183 -8.247) 8.255 6.704 ( 9.833 5.677 -4.155) 12.091 6.760 ( 1.877 1.084 5.301) 5.727 7.044 ( 23.168 13.376 7.255) 27.718 8.640 ( 8.041 4.643 -16.448) 18.888 10.293 ( -19.999 -11.547 19.276) 30.081 10.432 ( 1.378 0.795 0.091) 1.594 14.074 ( -4.020 -2.321 -0.110) 4.644 14.101 ( -1.983 -1.145 0.002) 2.290======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( 4.350 2.511 31.555) 31.952 1.227 ( 19.086 11.019 7.123) 23.161 1.582 ( 10.182 5.879 -4.470) 12.578 1.937 ( 35.253 20.353 6.512) 41.224 2.218 ( 25.865 14.933 0.664) 29.874 3.696 ( -2.691 -1.553 -13.922) 14.265 5.506 ( -8.526 -4.922 -1.449) 9.951 5.754 ( 4.274 2.468 3.543) 6.076 5.785 ( -3.237 -1.869 -8.757) 9.522 6.432 ( 0.184 0.106 -7.386) 7.389 6.835 ( 3.550 2.049 4.070) 5.776 6.922 ( 9.514 5.493 -3.688) 11.588 7.592 ( 20.824 12.023 10.665) 26.304 8.660 ( -1.378 -0.796 -14.233) 14.322 9.944 ( -15.245 -8.802 15.189) 23.250 10.479 ( 2.482 1.433 -1.051) 3.053 13.959 ( -5.317 -3.070 -0.515) 6.161 14.036 ( -3.635 -2.099 -0.010) 4.198======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 7.138 4.121 26.318) 27.578 1.648 ( 16.032 9.256 4.216) 18.986 1.812 ( 10.173 5.874 -4.054) 12.427 2.692 ( 26.534 15.319 0.614) 30.644 2.804 ( 25.848 14.923 1.157) 29.869 3.579 ( -4.453 -2.571 -11.852) 12.919 5.388 ( -1.447 -0.835 0.533) 1.754 5.698 ( -2.277 -1.314 -7.691) 8.127 5.894 ( 6.896 3.982 4.037) 8.928 6.408 ( -0.789 -0.455 -5.901) 5.971 6.943 ( 4.942 2.853 2.351) 6.172 7.113 ( 7.715 4.454 -2.866) 9.358 7.995 ( 9.379 5.415 11.260) 15.623 8.581 ( -0.107 -0.062 -10.333) 10.334 9.643 ( -13.842 -7.991 9.260) 18.472 10.522 ( 1.080 0.624 -1.301) 1.802 13.855 ( -2.908 -1.679 -0.719) 3.434 13.938 ( -4.648 -2.683 -0.030) 5.367======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 8.914 5.147 21.119) 23.494 1.978 ( 10.318 5.957 1.717) 12.038 2.026 ( 10.470 6.045 -2.727) 12.394 3.137 ( 14.110 8.146 -1.388) 16.352 3.273 ( 3.053 1.763 -17.387) 17.741 3.554 ( 14.067 8.121 7.581) 17.925 5.435 ( 4.730 2.731 2.508) 6.010 5.633 ( -1.810 -1.045 -7.271) 7.565 6.084 ( 8.161 4.712 4.216) 10.323 6.367 ( -1.329 -0.767 -4.430) 4.688 7.067 ( 5.229 3.019 0.870) 6.101 7.263 ( 5.875 3.392 -1.890) 7.042 8.034 ( -5.648 -3.261 5.614) 8.606 8.676 ( 8.241 4.758 -2.483) 9.835 9.356 ( -12.378 -7.146 4.014) 14.846 10.502 ( -2.870 -1.657 -0.928) 3.442 13.827 ( -4.839 -2.794 -0.042) 5.588 13.842 ( 2.104 1.215 -0.706) 2.530======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 8.116 4.686 16.535) 19.006 2.133 ( 4.824 2.785 -1.283) 5.717 2.281 ( 10.114 5.840 0.048) 11.679 3.067 ( -10.327 -5.962 -15.197) 19.316 3.389 ( 8.570 4.948 -5.354) 11.252 4.011 ( 17.389 10.040 8.912) 21.968 5.545 ( -1.123 -0.648 1.533) 2.008 5.611 ( 5.944 3.432 -4.078) 7.984 6.247 ( 2.723 1.572 2.247) 3.865 6.357 ( 3.408 1.967 -1.725) 4.296 7.182 ( 4.443 2.565 0.081) 5.131 7.372 ( 3.797 2.192 -1.231) 4.554 7.889 ( -6.409 -3.700 2.967) 7.973 8.858 ( 6.827 3.942 2.098) 8.158 9.101 ( -9.837 -5.679 -1.302) 11.433 10.390 ( -6.210 -3.586 -0.429) 7.184 13.721 ( -4.186 -2.417 -0.040) 4.834 13.938 ( 5.813 3.356 -0.602) 6.739======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( 4.450 2.569 10.670) 11.843 2.216 ( 2.743 1.584 -0.872) 3.286 2.474 ( 6.447 3.722 0.031) 7.445 2.791 ( -8.945 -5.164 -14.099) 17.478 3.527 ( 4.879 2.817 -5.709) 8.021 4.351 ( 9.719 5.611 9.371) 14.621 5.488 ( -2.207 -1.274 -0.582) 2.615 5.765 ( 5.834 3.368 0.326) 6.745 6.242 ( -1.120 -0.647 -0.036) 1.294 6.483 ( 5.127 2.960 0.294) 5.927 7.269 ( 3.040 1.755 0.122) 3.512 7.425 ( 1.046 0.604 -1.567) 1.978 7.789 ( -2.655 -1.533 2.564) 3.997 8.893 ( -7.068 -4.081 -0.527) 8.179 9.003 ( 4.771 2.755 -0.746) 5.560 10.240 ( -6.049 -3.492 -0.073) 6.985 13.639 ( -2.820 -1.628 -0.025) 3.256 14.077 ( 5.650 3.262 -0.511) 6.544======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( -3.018 -1.742 -0.287) 3.497 2.259 ( 1.197 0.691 -0.241) 1.403 2.575 ( 2.233 1.289 0.032) 2.579 2.646 ( -0.004 -0.002 -7.370) 7.370 3.593 ( 2.410 1.391 -6.349) 6.932 4.510 ( 1.915 1.106 9.950) 10.193 5.463 ( 0.069 0.040 2.063) 2.065 5.856 ( 1.764 1.018 -0.180) 2.044 6.226 ( -0.130 -0.075 0.732) 0.748 6.557 ( 1.195 0.690 -1.292) 1.890 7.321 ( 1.297 0.749 0.690) 1.649 7.419 ( -0.673 -0.389 -2.903) 3.005 7.773 ( 0.130 0.075 3.274) 3.278 8.756 ( -3.940 -2.275 -5.561) 7.185 9.096 ( 2.937 1.696 2.724) 4.350 10.136 ( -2.526 -1.459 0.059) 2.918 13.594 ( -0.986 -0.569 -0.008) 1.139 14.172 ( 2.317 1.338 -0.453) 2.714======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( -6.975 -4.027 -7.509) 11.011 2.270 ( -0.306 -0.177 0.259) 0.438 2.575 ( -2.178 -1.257 0.069) 2.515 2.733 ( 7.471 4.314 -2.485) 8.978 3.608 ( 0.508 0.293 -6.373) 6.400 4.500 ( -4.969 -2.869 9.963) 11.497 5.500 ( 2.069 1.194 3.959) 4.624 5.844 ( -2.476 -1.430 -0.903) 2.999 6.242 ( 1.148 0.663 1.643) 2.111 6.530 ( -2.942 -1.698 -2.724) 4.354 7.329 ( -0.849 -0.490 1.060) 1.444 7.390 ( -0.976 -0.564 -4.352) 4.495 7.799 ( 1.115 0.644 4.574) 4.752 8.679 ( -1.284 -0.741 -7.638) 7.780 9.155 ( 1.584 0.915 3.894) 4.302 10.134 ( 2.356 1.361 -0.031) 2.721 13.595 ( 1.006 0.581 0.003) 1.162 14.173 ( -2.111 -1.219 -0.398) 2.470======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( -8.008 -4.623 -6.045) 11.047 2.242 ( -2.289 -1.321 0.377) 2.669 2.476 ( -6.324 -3.651 0.161) 7.304 2.929 ( 9.408 5.432 -3.674) 11.468 3.583 ( -1.342 -0.775 -5.488) 5.703 4.336 ( -11.525 -6.654 9.871) 16.569 5.544 ( -0.582 -0.336 1.934) 2.047 5.771 ( -2.087 -1.205 0.842) 2.552 6.276 ( 0.540 0.312 2.076) 2.167 6.425 ( -4.471 -2.581 -2.884) 5.913 7.284 ( -3.286 -1.897 0.814) 3.881 7.350 ( -1.437 -0.829 -5.389) 5.638 7.851 ( 2.281 1.317 5.831) 6.398 8.647 ( 0.126 0.073 -8.258) 8.260 9.198 ( 1.399 0.808 4.334) 4.626 10.235 ( 5.975 3.450 -0.329) 6.908 13.640 ( 2.832 1.635 0.002) 3.270 14.081 ( -5.378 -3.105 -0.309) 6.217======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( -10.174 -5.874 -0.793) 11.774 2.151 ( -6.348 -3.665 -0.412) 7.342 2.297 ( -8.683 -5.013 0.760) 10.056 3.103 ( 5.479 3.163 -6.613) 9.152 3.510 ( -4.127 -2.383 -5.183) 7.041 4.034 ( -16.287 -9.403 11.100) 21.838 5.443 ( -6.442 -3.719 -2.731) 7.923 5.802 ( 2.990 1.726 4.437) 5.621 6.190 ( -7.405 -4.275 -0.788) 8.586 6.404 ( 2.363 1.364 0.878) 2.866 7.183 ( -5.504 -3.178 0.136) 6.357 7.290 ( -2.516 -1.452 -5.865) 6.545 7.930 ( 2.758 1.592 5.680) 6.512 8.632 ( 0.347 0.200 -6.802) 6.814 9.256 ( 2.891 1.669 4.104) 5.290 10.383 ( 6.316 3.646 -0.795) 7.336 13.722 ( 4.185 2.416 -0.010) 4.833 13.948 ( -5.438 -3.140 -0.150) 6.281======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( -12.449 -7.187 5.802) 15.502 1.915 ( -13.523 -7.807 -1.593) 15.696 2.109 ( -8.161 -4.712 1.498) 9.542 3.065 ( -8.409 -4.855 -6.105) 11.469 3.287 ( -17.158 -9.906 -4.625) 20.345 3.763 ( -5.743 -3.316 8.393) 10.697 5.310 ( -3.240 -1.871 -3.352) 5.023 5.888 ( 3.077 1.776 4.394) 5.651 6.003 ( -7.999 -4.618 -0.356) 9.244 6.475 ( 3.047 1.759 1.436) 3.800 7.037 ( -6.902 -3.985 -0.533) 7.987 7.197 ( -4.193 -2.421 -6.226) 7.887 7.964 ( -2.297 -1.326 3.352) 4.274 8.642 ( 2.351 1.357 -3.218) 4.210 9.363 ( 5.582 3.223 3.889) 7.527 10.494 ( 3.184 1.838 -1.298) 3.899 13.827 ( 4.827 2.787 -0.028) 5.573 13.859 ( -1.711 -0.988 0.075) 1.977======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.645 ( 0.000 20.833 9.037) 22.709 0.891 ( 0.000 14.874 25.161) 29.228 1.276 ( 0.000 28.161 29.477) 40.767 1.441 ( -0.000 9.261 -2.050) 9.485 1.571 ( -0.000 22.260 -3.844) 22.590 3.750 ( -0.000 -4.110 -13.722) 14.324 5.687 ( 0.000 2.008 3.397) 3.946 5.757 ( 0.000 -14.408 -4.062) 14.970 5.898 ( -0.000 5.518 -9.253) 10.773 6.465 ( -0.000 2.609 -8.593) 8.980 6.646 ( -0.000 7.951 -3.383) 8.641 6.742 ( 0.000 0.492 5.660) 5.681 7.039 ( -0.000 24.344 6.983) 25.326 8.609 ( -0.000 9.377 -13.534) 16.465 10.336 ( 0.000 -22.424 16.143) 27.630 10.427 ( -0.000 0.892 -0.024) 0.892 14.083 ( 0.000 -3.891 -0.163) 3.894 14.101 ( 0.000 -2.317 -0.016) 2.317======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( 10.842 11.056 17.103) 23.072 1.087 ( 8.064 10.469 20.753) 24.603 1.565 ( 3.278 13.804 -3.321) 14.572 1.798 ( 14.932 34.952 12.915) 40.142 1.993 ( 18.714 21.517 -1.677) 28.566 3.668 ( -1.016 -2.162 -15.818) 15.998 5.534 ( -5.163 -11.672 -2.142) 12.941 5.735 ( 1.083 1.888 3.407) 4.043 5.873 ( -4.981 4.676 -8.270) 10.727 6.437 ( -1.947 2.268 -7.219) 7.813 6.781 ( 2.839 0.664 4.312) 5.205 6.822 ( 8.509 6.680 -3.318) 11.315 7.456 ( 15.120 20.563 8.792) 26.995 8.643 ( -0.382 2.417 -13.307) 13.530 10.081 ( -9.195 -16.450 15.078) 24.135 10.456 ( 1.776 1.813 -1.080) 2.759 13.973 ( -4.851 -7.134 0.108) 8.628 14.083 ( -0.802 -1.059 -0.392) 1.385======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 4.305 3.595 28.973) 29.511 1.537 ( 14.583 16.184 4.575) 22.261 1.781 ( 5.228 14.902 -3.437) 16.162 2.475 ( 21.668 27.526 4.456) 35.314 2.541 ( 21.878 16.399 -0.839) 27.355 3.582 ( -2.335 -1.327 -14.314) 14.563 5.379 ( -1.536 -5.754 -1.040) 6.046 5.724 ( -3.381 -0.040 -4.928) 5.977 5.890 ( 1.853 7.461 2.069) 7.962 6.410 ( -1.302 1.096 -5.793) 6.038 6.857 ( 5.013 -0.870 3.738) 6.313 7.022 ( 7.882 5.770 -4.178) 10.624 7.914 ( 13.086 12.769 10.667) 21.168 8.580 ( -2.867 -0.264 -10.701) 11.082 9.793 ( -11.332 -12.448 10.500) 19.840 10.512 ( 2.074 2.693 -1.692) 3.796 13.801 ( -3.996 -10.718 -0.047) 11.439 14.053 ( -2.988 2.480 -0.454) 3.910======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 7.080 5.082 24.389) 25.899 1.923 ( 10.245 15.477 3.084) 18.816 2.000 ( 4.229 14.083 -3.364) 15.084 2.979 ( 15.369 12.419 -5.610) 20.541 3.098 ( 18.720 12.928 -2.833) 22.926 3.510 ( -0.048 3.133 -3.925) 5.022 5.368 ( 4.052 -0.976 0.542) 4.203 5.646 ( -3.066 -0.595 -6.501) 7.212 6.046 ( 5.326 8.111 4.415) 10.660 6.379 ( -1.610 0.597 -4.490) 4.807 6.952 ( 6.755 -2.717 2.343) 7.649 7.183 ( 6.566 3.675 -3.553) 8.321 8.117 ( -2.418 0.840 7.729) 8.142 8.585 ( 5.836 4.743 -5.059) 9.063 9.500 ( -11.825 -9.890 5.648) 16.418 10.551 ( -1.195 3.258 -1.475) 3.770 13.640 ( 0.226 -14.141 -0.202) 14.144 14.040 ( -3.937 7.781 -0.423) 8.731======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 7.503 5.076 19.608) 21.600 2.145 ( 1.519 10.483 -1.062) 10.646 2.257 ( 6.754 16.406 0.009) 17.742 3.125 ( -4.068 -2.445 -22.076) 22.581 3.315 ( 6.379 9.779 0.484) 11.686 3.817 ( 18.239 10.728 8.865) 22.942 5.483 ( 7.737 0.198 3.078) 8.330 5.571 ( -1.915 -1.368 -7.076) 7.457 6.233 ( 4.709 6.898 4.400) 9.440 6.352 ( -0.637 2.091 -3.328) 3.982 7.042 ( 7.751 -5.716 1.098) 9.693 7.304 ( 5.362 1.480 -2.707) 6.186 7.996 ( -8.389 -3.038 3.561) 9.606 8.770 ( 8.202 4.595 0.564) 9.419 9.225 ( -10.921 -7.122 1.048) 13.081 10.514 ( -6.759 3.901 -0.854) 7.851 13.529 ( 4.669 -16.802 -0.237) 17.441 14.081 ( -3.021 12.816 -0.394) 13.173======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 5.274 2.551 14.068) 15.240 2.236 ( -0.457 7.083 -1.435) 7.241 2.504 ( 2.705 16.114 0.000) 16.340 2.915 ( -10.438 1.422 -18.167) 21.000 3.488 ( 3.663 7.290 -2.955) 8.678 4.216 ( 14.551 5.362 9.373) 18.120 5.484 ( -1.264 -4.327 -1.214) 4.668 5.656 ( 8.468 0.745 -0.235) 8.504 6.282 ( -2.126 1.891 0.289) 2.861 6.455 ( 4.331 7.114 0.703) 8.358 7.108 ( 8.432 -9.561 0.341) 12.752 7.381 ( 3.477 -0.510 -2.221) 4.157 7.847 ( -5.559 -2.710 2.771) 6.777 8.934 ( 5.991 1.329 4.714) 7.738 8.994 ( -8.710 -2.967 -5.197) 10.567 10.406 ( -10.442 5.808 -0.310) 11.953 13.458 ( 6.870 -17.499 -0.196) 18.800 14.180 ( -1.889 14.664 -0.383) 14.790======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( -0.326 -2.651 4.096) 4.890 2.276 ( -0.664 4.607 -0.529) 4.685 2.665 ( -2.247 15.130 -0.116) 15.297 2.757 ( -8.253 9.601 -12.282) 17.639 3.578 ( 0.991 5.375 -4.934) 7.364 4.463 ( 7.454 0.339 10.312) 12.729 5.436 ( 0.965 -3.958 1.315) 4.281 5.779 ( 6.027 -2.158 -0.100) 6.403 6.267 ( -2.140 2.813 0.751) 3.614 6.568 ( 0.904 5.353 -0.760) 5.482 7.145 ( 8.953 -13.060 0.244) 15.836 7.400 ( 1.041 -1.826 -2.522) 3.283 7.779 ( -0.618 -1.796 3.049) 3.592 8.817 ( -6.459 -1.990 -4.447) 8.091 9.054 ( 4.415 1.498 2.095) 5.111 10.294 ( -10.257 8.975 -0.012) 13.629 13.414 ( 7.960 -16.728 -0.143) 18.526 14.283 ( -3.030 13.455 -0.380) 13.797======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( -5.412 -4.525 -5.646) 9.035 2.312 ( -1.144 4.787 1.238) 5.075 2.723 ( -7.427 12.996 0.021) 14.969 2.761 ( -2.019 13.058 -6.662) 14.798 3.611 ( -0.659 3.982 -6.087) 7.304 4.537 ( 0.030 -4.027 10.899) 11.620 5.452 ( 3.690 -2.575 3.918) 5.966 5.812 ( 2.054 -4.956 -0.899) 5.439 6.273 ( -1.296 3.807 1.738) 4.381 6.581 ( -3.244 2.457 -2.691) 4.879 7.157 ( 8.435 -14.985 0.010) 17.196 7.381 ( 0.258 -2.082 -3.012) 3.671 7.793 ( 2.031 -0.539 4.126) 4.630 8.701 ( -3.913 -0.439 -6.528) 7.624 9.135 ( 2.963 0.643 2.957) 4.235 10.247 ( -7.052 12.043 0.046) 13.956 13.400 ( 9.157 -15.748 -0.106) 18.217 14.326 ( -6.335 11.157 -0.367) 12.835======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( -6.989 -3.267 -6.194) 9.894 2.325 ( -3.795 5.266 1.142) 6.591 2.668 ( -11.934 9.585 0.083) 15.307 2.886 ( 3.312 11.711 -5.852) 13.504 3.606 ( -2.097 3.028 -5.939) 6.989 4.448 ( -6.638 -8.032 10.824) 15.024 5.515 ( 3.595 -1.818 4.073) 5.729 5.760 ( -0.422 -5.932 -0.928) 6.019 6.304 ( -0.650 3.914 2.551) 4.718 6.501 ( -6.123 0.339 -3.413) 7.018 7.134 ( 6.605 -15.538 -0.829) 16.904 7.356 ( -0.027 -1.659 -3.369) 3.756 7.853 ( 2.627 1.616 5.644) 6.431 8.633 ( -1.512 -0.398 -7.183) 7.351 9.190 ( 1.966 0.637 2.972) 3.620 10.291 ( -2.817 13.443 -0.101) 13.736 13.416 ( 10.570 -15.132 -0.091) 18.458 14.284 ( -9.924 9.401 -0.322) 13.674======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( -8.888 -3.686 -1.223) 9.700 2.283 ( -7.438 4.848 0.488) 8.892 2.510 ( -14.902 5.875 0.269) 16.021 3.049 ( 4.774 8.825 -7.915) 12.779 3.562 ( -4.315 1.469 -4.894) 6.688 4.212 ( -12.498 -11.160 10.794) 19.931 5.487 ( -3.924 -5.056 -0.911) 6.465 5.751 ( 4.344 -1.576 2.619) 5.312 6.292 ( -6.201 -0.072 0.646) 6.235 6.416 ( -1.856 2.754 -0.542) 3.365 7.072 ( 4.263 -15.076 -1.304) 15.721 7.323 ( -1.467 -0.768 -4.071) 4.395 7.943 ( 2.343 3.876 6.639) 8.037 8.597 ( 0.352 -1.214 -6.455) 6.577 9.240 ( 2.159 1.203 2.646) 3.621 10.401 ( 0.101 12.264 -0.465) 12.273 13.461 ( 11.785 -14.521 -0.087) 18.702 14.185 ( -11.464 8.971 -0.240) 14.559======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( -11.392 -5.555 5.922) 13.990 2.140 ( -14.472 2.581 -0.767) 14.720 2.298 ( -13.982 3.427 1.028) 14.432 3.131 ( -2.089 3.762 -9.428) 10.363 3.438 ( -9.560 -2.108 -4.797) 10.902 3.888 ( -12.945 -10.683 10.689) 19.898 5.345 ( -4.792 -3.810 -2.514) 6.618 5.836 ( 4.494 -0.536 2.131) 5.002 6.137 ( -9.353 -0.405 0.131) 9.363 6.452 ( 1.448 2.188 1.166) 2.871 6.977 ( 1.583 -13.090 -0.988) 13.223 7.262 ( -3.917 0.261 -4.994) 6.352 8.023 ( -0.698 3.853 5.766) 6.970 8.590 ( 2.238 -1.270 -3.980) 4.740 9.315 ( 4.204 1.944 2.663) 5.343 10.511 ( 0.063 8.483 -0.996) 8.542 13.535 ( 12.378 -12.340 -0.048) 17.478 14.089 ( -9.303 8.979 -0.154) 12.930======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( -0.000 21.829 3.902) 22.175 1.211 ( 0.000 5.235 32.332) 32.753 1.660 ( -0.000 12.701 -1.646) 12.807 2.068 ( -0.000 29.089 0.124) 29.089 2.095 ( -0.000 36.161 6.954) 36.823 3.614 ( -0.000 -0.867 -16.886) 16.908 5.446 ( 0.000 -12.420 -1.408) 12.499 5.768 ( 0.000 4.205 3.776) 5.652 5.929 ( -0.000 1.641 -8.311) 8.471 6.473 ( -0.000 2.295 -7.834) 8.163 6.794 ( -0.000 8.410 -2.203) 8.694 6.803 ( 0.000 2.975 4.658) 5.527 7.563 ( 0.000 21.966 8.578) 23.582 8.639 ( -0.000 1.573 -11.325) 11.434 10.017 ( 0.000 -18.038 13.166) 22.332 10.453 ( -0.000 1.704 -1.405) 2.208 13.979 ( 0.000 -5.882 -0.393) 5.895 14.034 ( 0.000 -4.210 -0.029) 4.210======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -0.412 6.023 29.142) 29.761 1.470 ( 12.908 18.622 3.384) 22.909 1.843 ( 5.381 14.244 -1.489) 15.299 2.425 ( 11.087 21.809 -4.615) 24.897 2.545 ( 7.906 32.429 6.839) 34.072 3.567 ( -0.772 1.604 -15.186) 15.290 5.328 ( -0.649 -7.350 -1.014) 7.448 5.787 ( -3.836 2.158 -1.397) 4.617 5.935 ( 1.575 4.580 -1.984) 5.233 6.445 ( -2.280 1.803 -5.513) 6.232 6.834 ( -0.632 2.412 4.008) 4.720 6.942 ( 6.495 6.869 -3.274) 10.005 7.881 ( 9.548 15.593 9.155) 20.448 8.598 ( -2.153 -0.277 -8.905) 9.166 9.826 ( -5.553 -15.594 9.757) 19.215 10.489 ( 2.573 2.187 -1.801) 3.827 13.810 ( -8.047 -8.667 -0.038) 11.826 14.055 ( 3.394 -1.225 -0.467) 3.639======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( 3.011 6.517 26.111) 27.080 1.896 ( 13.467 17.299 2.320) 22.045 2.083 ( 4.697 15.543 -1.756) 16.331 2.799 ( 13.912 10.365 -8.651) 19.386 3.011 ( 11.543 22.059 2.026) 24.979 3.555 ( -0.887 7.234 -7.458) 10.428 5.293 ( 2.490 -2.276 0.001) 3.374 5.699 ( -5.273 0.286 -6.373) 8.276 6.057 ( 4.394 7.437 3.306) 9.249 6.414 ( -2.073 1.956 -3.801) 4.751 6.857 ( 1.493 -1.140 3.722) 4.169 7.099 ( 6.040 4.236 -3.949) 8.368 8.154 ( 3.960 4.861 8.009) 10.171 8.552 ( 0.662 2.315 -5.097) 5.637 9.580 ( -8.475 -12.672 5.396) 16.171 10.568 ( 3.167 3.704 -1.750) 5.178 13.567 ( -7.279 -12.081 -0.032) 14.104 14.114 ( 2.123 3.908 -0.476) 4.473======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( 5.239 5.744 22.041) 23.372 2.237 ( 3.737 13.210 0.452) 13.736 2.324 ( 6.894 19.372 -1.104) 20.592 3.009 ( 7.836 -0.414 -19.046) 20.600 3.343 ( 6.092 13.457 -0.041) 14.772 3.716 ( 8.129 13.766 5.261) 16.830 5.361 ( 6.059 -0.474 1.739) 6.321 5.592 ( -4.315 -1.008 -7.386) 8.613 6.233 ( 5.359 7.278 4.437) 10.069 6.391 ( -1.892 2.838 -2.897) 4.475 6.880 ( 3.669 -5.391 2.795) 7.095 7.214 ( 5.212 1.445 -3.589) 6.491 8.119 ( -7.514 -2.981 2.865) 8.576 8.677 ( 7.661 4.111 1.834) 8.885 9.322 ( -9.217 -9.304 0.850) 13.124 10.641 ( -0.703 6.303 -1.206) 6.456 13.338 ( -2.711 -15.385 -0.143) 15.623 14.208 ( 1.331 9.036 -0.357) 9.140======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 4.398 2.289 16.728) 17.447 2.342 ( -2.084 8.688 -2.211) 9.204 2.644 ( 4.685 21.763 -0.234) 22.263 3.006 ( -1.370 3.547 -20.704) 21.050 3.538 ( 1.886 12.112 0.971) 12.296 4.046 ( 13.288 7.468 8.235) 17.325 5.441 ( 1.525 -5.268 1.198) 5.614 5.530 ( 3.532 0.241 -4.454) 5.690 6.328 ( -0.691 1.135 0.960) 1.639 6.463 ( 4.347 8.343 1.118) 9.474 6.885 ( 4.582 -9.157 1.133) 10.302 7.292 ( 4.564 -1.022 -2.782) 5.442 7.939 ( -8.274 -4.558 1.782) 9.613 8.843 ( 6.941 0.636 5.231) 8.714 9.092 ( -8.207 -4.839 -4.237) 10.427 10.654 ( -6.933 10.182 -0.586) 12.332 13.174 ( 3.182 -18.197 -0.219) 18.475 14.334 ( 0.597 12.389 -0.278) 12.406======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 0.571 -3.638 7.404) 8.270 2.366 ( -2.495 7.083 -1.581) 7.675 2.899 ( -1.195 22.487 -1.270) 22.554 2.974 ( -5.675 13.185 -14.951) 20.726 3.653 ( -1.573 10.378 -1.024) 10.546 4.327 ( 11.015 0.708 9.634) 14.651 5.376 ( 0.015 -5.859 0.230) 5.863 5.625 ( 7.303 -3.797 -0.344) 8.238 6.321 ( -0.543 0.451 0.814) 1.078 6.615 ( 2.138 7.975 0.588) 8.278 6.864 ( 5.566 -12.225 -0.117) 13.433 7.334 ( 3.049 -2.743 -2.415) 4.760 7.784 ( -3.723 -5.430 2.037) 6.892 8.877 ( -3.988 -5.953 2.089) 7.464 9.001 ( 2.916 3.006 -3.102) 5.212 10.615 ( -11.203 14.737 -0.179) 18.513 13.079 ( 7.769 -19.849 -0.224) 21.316 14.460 ( -1.146 13.097 -0.259) 13.149======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( -2.968 -5.546 -2.383) 6.727 2.404 ( -1.746 7.493 1.710) 7.882 2.978 ( -6.276 17.316 -12.104) 22.040 3.050 ( -8.320 22.052 0.034) 23.570 3.694 ( -3.558 8.483 -3.353) 9.791 4.478 ( 5.062 -4.602 10.839) 12.817 5.356 ( 3.597 -5.017 3.178) 6.943 5.679 ( 5.386 -7.492 -0.719) 9.255 6.330 ( 0.500 0.675 1.954) 2.127 6.668 ( -3.229 4.662 -2.702) 6.282 6.850 ( 7.188 -12.349 0.293) 14.292 7.329 ( 1.282 -3.754 -2.680) 4.788 7.731 ( 2.782 -4.790 3.058) 6.327 8.749 ( -4.501 -2.749 -3.740) 6.466 9.085 ( 3.875 0.796 1.366) 4.185 10.577 ( -11.920 18.386 -0.011) 21.911 13.039 ( 10.577 -20.113 -0.195) 22.726 14.539 ( -4.272 11.775 -0.260) 12.529======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( -4.479 -3.340 -4.910) 7.438 2.451 ( -2.436 7.195 2.575) 8.021 3.025 ( -4.773 17.020 -10.514) 20.567 3.051 ( -14.757 18.364 -0.129) 23.558 3.696 ( -4.051 7.395 -4.289) 9.461 4.465 ( -1.902 -9.160 11.252) 14.633 5.412 ( 6.086 -3.601 4.650) 8.464 5.660 ( 2.757 -9.162 -1.459) 9.679 6.360 ( 0.865 1.217 3.149) 3.485 6.607 ( -5.495 1.574 -3.977) 6.963 6.846 ( 5.843 -12.052 -0.623) 13.408 7.306 ( 1.511 -3.517 -2.737) 4.706 7.788 ( 6.226 -2.195 4.161) 7.804 8.650 ( -3.172 -1.638 -4.631) 5.847 9.154 ( 3.136 0.094 1.495) 3.476 10.577 ( -10.012 19.572 -0.016) 21.984 13.040 ( 12.289 -19.090 -0.168) 22.704 14.540 ( -7.941 9.645 -0.249) 12.496======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( -6.565 -1.942 -1.447) 6.997 2.464 ( -5.106 6.647 1.892) 8.593 2.906 ( -19.162 12.564 0.086) 22.914 3.102 ( -1.416 14.194 -11.493) 18.319 3.672 ( -5.581 5.993 -3.464) 8.892 4.299 ( -7.851 -12.488 10.939) 18.365 5.464 ( 1.073 -4.908 1.426) 5.222 5.632 ( 5.499 -5.638 0.383) 7.885 6.380 ( -1.657 0.352 2.530) 3.044 6.516 ( -5.713 3.391 -1.850) 6.896 6.810 ( 5.570 -13.679 -1.591) 14.855 7.297 ( 1.339 -2.046 -3.038) 3.899 7.910 ( 6.774 0.833 4.952) 8.432 8.580 ( -1.761 -1.485 -3.799) 4.443 9.208 ( 2.809 0.032 0.695) 2.894 10.616 ( -7.171 17.347 -0.180) 18.772 13.084 ( 13.418 -16.523 -0.151) 21.286 14.462 ( -10.602 7.597 -0.219) 13.044======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( -9.972 -2.232 5.199) 11.466 2.403 ( -9.798 5.421 0.775) 11.225 2.656 ( -20.339 6.912 0.230) 21.483 3.183 ( -0.505 10.357 -13.249) 16.824 3.586 ( -8.857 2.400 -2.270) 9.453 4.020 ( -12.071 -13.149 10.540) 20.729 5.375 ( -3.630 -4.330 -1.236) 5.784 5.724 ( 7.272 -2.219 0.262) 7.608 6.296 ( -7.822 0.466 0.380) 7.845 6.489 ( -2.258 3.130 1.259) 4.060 6.772 ( 5.672 -11.933 -0.584) 13.225 7.287 ( -0.412 -0.237 -3.779) 3.808 8.044 ( 4.678 2.127 4.742) 6.992 8.543 ( 0.078 -1.000 -1.550) 1.846 9.263 ( 3.577 0.146 0.055) 3.580 10.658 ( -5.189 11.746 -0.531) 12.853 13.179 ( 14.238 -11.837 -0.121) 18.517 14.339 ( -10.804 5.718 -0.195) 12.226======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( 0.000 6.146 28.946) 29.591 1.543 ( -0.000 19.171 1.639) 19.241 1.902 ( -0.000 11.844 -1.520) 11.941 2.544 ( -0.000 20.427 -7.644) 21.810 2.813 ( -0.000 28.267 5.140) 28.731 3.575 ( -0.000 7.210 -12.835) 14.722 5.265 ( 0.000 -4.832 -0.702) 4.883 5.895 ( 0.000 6.446 3.797) 7.481 5.898 ( -0.000 -0.533 -6.373) 6.396 6.464 ( -0.000 0.473 -5.946) 5.965 6.911 ( 0.000 5.678 2.766) 6.316 6.946 ( -0.000 7.431 -1.066) 7.507 7.964 ( 0.000 12.839 8.404) 15.345 8.590 ( -0.000 -0.831 -7.025) 7.074 9.738 ( 0.000 -15.569 7.714) 17.376 10.473 ( -0.000 0.802 -1.572) 1.765 13.872 ( 0.000 -3.770 -0.678) 3.831 13.937 ( 0.000 -5.359 -0.037) 5.359======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -0.716 6.485 25.852) 26.662 1.838 ( 11.481 16.549 1.099) 20.171 2.096 ( 8.141 11.519 -0.637) 14.120 2.720 ( 4.321 9.672 -11.275) 15.471 3.097 ( 4.232 19.091 0.817) 19.572 3.659 ( -0.405 15.651 -5.727) 16.671 5.246 ( 1.129 -0.330 -0.049) 1.177 5.793 ( -6.432 0.469 -5.439) 8.436 6.045 ( 5.418 6.068 2.593) 8.538 6.446 ( -0.469 0.835 -3.993) 4.106 6.915 ( -4.935 3.627 2.896) 6.775 7.057 ( 3.511 5.946 -1.660) 7.102 8.141 ( 4.945 5.524 6.910) 10.135 8.558 ( -0.553 0.147 -3.970) 4.011 9.570 ( -4.118 -13.529 4.277) 14.775 10.512 ( 4.468 0.517 -1.291) 4.679 13.647 ( -12.577 -7.144 -0.241) 14.466 14.042 ( 8.502 0.422 -0.441) 8.524======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 1.956 5.220 22.721) 23.395 2.223 ( 12.848 13.494 0.904) 18.654 2.370 ( 8.574 14.280 -0.596) 16.668 2.811 ( 6.568 -1.136 -16.490) 17.786 3.357 ( 7.354 13.276 -0.553) 15.187 3.830 ( -0.005 19.025 1.088) 19.056 5.292 ( 2.741 1.764 1.148) 3.456 5.663 ( -6.608 -0.154 -6.851) 9.519 6.213 ( 5.701 6.076 3.205) 8.927 6.447 ( -0.899 2.996 -2.423) 3.957 6.850 ( -3.956 -1.525 3.544) 5.526 7.154 ( 2.949 3.103 -2.326) 4.872 8.187 ( -2.944 -3.218 1.463) 4.600 8.609 ( 4.946 2.901 3.016) 6.479 9.361 ( -6.501 -10.296 0.156) 12.178 10.626 ( 6.915 2.389 -0.972) 7.380 13.340 ( -12.155 -10.080 -0.170) 15.792 14.207 ( 7.095 5.617 -0.347) 9.056======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 2.489 1.143 18.280) 18.484 2.433 ( 0.481 6.857 -2.785) 7.416 2.724 ( 11.273 20.177 -0.246) 23.114 2.899 ( 9.765 1.095 -16.536) 19.235 3.607 ( 6.380 11.992 0.525) 13.594 4.024 ( 2.385 13.623 4.601) 14.576 5.358 ( 2.827 -1.014 1.898) 3.553 5.536 ( -4.837 -0.628 -6.177) 7.871 6.335 ( 0.926 0.788 1.428) 1.876 6.482 ( 1.905 6.881 0.058) 7.140 6.790 ( -0.139 -4.463 2.993) 5.375 7.211 ( 2.677 0.108 -2.229) 3.485 8.034 ( -8.012 -6.189 -0.426) 10.133 8.747 ( 6.276 0.354 6.716) 9.199 9.156 ( -6.724 -5.881 -4.135) 9.844 10.773 ( 4.296 6.859 -0.600) 8.116 13.044 ( -7.821 -13.495 -0.180) 15.598 14.391 ( 5.357 9.191 -0.221) 10.641======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -0.021 -4.865 9.548) 10.716 2.465 ( -1.361 6.259 -3.170) 7.147 3.048 ( 5.100 10.847 -13.027) 17.702 3.107 ( 6.863 21.822 -0.970) 22.897 3.800 ( 0.672 12.847 0.988) 12.902 4.205 ( 6.204 4.351 6.843) 10.211 5.333 ( -1.638 -5.155 -0.310) 5.418 5.493 ( 2.425 -2.808 -1.269) 3.921 6.288 ( -1.041 -6.506 0.365) 6.599 6.630 ( 4.709 7.199 1.411) 8.717 6.770 ( 0.032 -1.032 0.996) 1.434 7.242 ( 2.980 -2.485 -1.859) 4.302 7.819 ( -7.662 -8.061 -0.082) 11.122 8.833 ( 2.643 -5.211 7.637) 9.616 9.018 ( -2.995 1.002 -7.048) 7.723 10.894 ( -2.126 13.450 -0.276) 13.620 12.812 ( -0.756 -17.591 -0.196) 17.609 14.564 ( 2.956 10.520 -0.165) 10.929======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( -1.837 -6.438 0.573) 6.719 2.511 ( -1.072 7.105 0.559) 7.207 3.183 ( -0.475 15.446 -13.047) 20.225 3.388 ( -1.912 24.431 0.045) 24.505 3.882 ( -5.598 12.249 -0.411) 13.474 4.349 ( 6.918 -3.549 9.014) 11.904 5.266 ( 0.877 -5.477 1.629) 5.781 5.502 ( 4.594 -8.144 -0.319) 9.356 6.213 ( 3.755 -12.119 0.757) 12.710 6.755 ( 0.225 2.909 0.852) 3.039 6.770 ( -1.227 7.121 -0.946) 7.287 7.252 ( 2.203 -4.068 -2.085) 5.075 7.644 ( -1.269 -9.285 1.266) 9.456 8.771 ( -2.850 -5.019 0.235) 5.776 9.039 ( 2.676 2.001 -1.124) 3.526 10.965 ( -8.683 19.599 -0.083) 21.437 12.670 ( 6.673 -20.894 -0.195) 21.935 14.690 ( -0.421 9.801 -0.156) 9.811======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( -2.021 -3.868 -2.892) 5.235 2.560 ( -1.543 6.126 2.033) 6.637 3.269 ( -4.907 18.173 -12.852) 22.792 3.502 ( -12.348 21.677 0.162) 24.948 3.874 ( -6.942 10.187 -1.816) 12.461 4.397 ( 2.238 -9.201 10.588) 14.205 5.277 ( 5.398 -4.605 3.632) 7.971 5.485 ( 4.781 -10.829 -1.040) 11.883 6.195 ( 8.775 -13.516 1.078) 16.150 6.731 ( -6.389 6.563 -0.999) 9.213 6.809 ( -2.732 3.700 -0.847) 4.677 7.228 ( 1.690 -4.846 -2.160) 5.568 7.627 ( 7.632 -6.811 2.395) 10.506 8.676 ( -3.112 -2.632 -1.910) 4.501 9.103 ( 3.055 0.497 0.313) 3.111 10.987 ( -12.415 21.564 -0.023) 24.882 12.624 ( 12.177 -20.824 -0.182) 24.124 14.736 ( -4.448 7.808 -0.155) 8.988======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( -2.967 -1.062 -1.204) 3.374 2.584 ( -2.299 4.053 1.581) 4.921 3.309 ( -7.044 17.504 -13.019) 22.923 3.391 ( -20.150 13.986 -0.178) 24.529 3.850 ( -6.675 8.721 -1.513) 11.086 4.297 ( -3.647 -13.390 10.894) 17.642 5.361 ( 6.243 -3.352 3.051) 7.715 5.460 ( 5.498 -9.012 -1.311) 10.638 6.248 ( 10.424 -10.289 0.852) 14.671 6.667 ( -7.567 5.578 -0.141) 9.401 6.749 ( -5.420 0.283 -1.145) 5.547 7.227 ( 3.146 -2.688 -1.889) 4.549 7.751 ( 10.811 -3.151 2.081) 11.451 8.603 ( -2.694 -0.921 -0.924) 2.993 9.155 ( 2.893 -0.294 -0.421) 2.938 10.966 ( -12.530 17.440 -0.076) 21.474 12.674 ( 14.916 -16.085 -0.172) 21.938 14.691 ( -8.180 5.340 -0.147) 9.770======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( -6.163 0.470 4.088) 7.410 2.561 ( -4.248 1.585 0.417) 4.553 3.104 ( -23.039 5.766 0.033) 23.749 3.323 ( -5.811 14.381 -14.657) 21.340 3.777 ( -9.603 3.952 -0.156) 10.385 4.088 ( -7.535 -13.108 10.317) 18.304 5.369 ( -0.085 -3.220 -0.636) 3.283 5.548 ( 9.542 -3.064 -0.074) 10.022 6.326 ( 5.417 -4.227 -0.141) 6.873 6.588 ( -5.892 1.500 0.358) 6.090 6.658 ( -3.154 -0.321 1.354) 3.447 7.259 ( 2.337 0.070 -2.355) 3.318 7.918 ( 10.121 -2.009 0.949) 10.362 8.565 ( -1.813 1.184 2.120) 3.030 9.198 ( 3.107 -0.736 -1.782) 3.657 10.900 ( -10.300 8.881 -0.245) 13.602 12.817 ( 15.662 -8.092 -0.164) 17.630 14.567 ( -10.461 2.799 -0.145) 10.829======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( 0.000 4.473 25.190) 25.584 1.890 ( -0.000 14.598 0.265) 14.600 2.111 ( -0.000 9.993 -1.241) 10.070 2.726 ( -0.000 3.487 -14.070) 14.496 3.217 ( -0.000 12.283 -1.303) 12.352 3.848 ( -0.000 22.171 -1.821) 22.246 5.254 ( -0.000 3.777 0.293) 3.789 5.847 ( -0.000 -1.183 -5.467) 5.593 6.059 ( 0.000 7.607 3.429) 8.345 6.430 ( -0.000 -0.963 -3.984) 4.099 7.050 ( -0.000 6.858 1.090) 6.944 7.075 ( -0.000 5.556 0.884) 5.626 8.154 ( 0.000 2.452 5.328) 5.865 8.547 ( -0.000 -0.644 -2.122) 2.217 9.483 ( 0.000 -12.206 2.182) 12.400 10.452 ( 0.000 -2.619 -0.645) 2.697 13.826 ( 0.000 -5.565 -0.036) 5.566 13.845 ( -0.000 1.786 -0.723) 1.927======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( -0.409 2.415 22.222) 22.356 2.125 ( 11.143 11.192 0.437) 15.799 2.309 ( 10.474 10.461 -0.059) 14.804 2.693 ( 0.640 -2.530 -16.625) 16.828 3.355 ( 4.923 8.433 -1.205) 9.839 4.060 ( -1.601 22.144 0.271) 22.204 5.311 ( 0.154 6.028 0.899) 6.097 5.761 ( -5.989 -0.356 -5.386) 8.062 6.188 ( 4.501 6.309 2.693) 8.204 6.437 ( 2.630 0.132 -2.349) 3.529 7.002 ( -9.673 3.584 2.231) 10.554 7.161 ( 1.028 4.753 0.177) 4.866 8.176 ( 0.136 -3.193 0.370) 3.217 8.568 ( 3.120 0.609 3.432) 4.678 9.346 ( -3.344 -9.273 -0.851) 9.894 10.482 ( 7.405 -3.187 -0.305) 8.068 13.529 ( -16.859 -4.582 -0.238) 17.472 14.078 ( 12.547 3.556 -0.348) 13.046======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 0.678 -1.427 18.229) 18.298 2.427 ( 8.560 7.108 0.412) 11.134 2.653 ( 11.687 8.673 -6.362) 15.883 2.670 ( 12.078 2.809 -9.639) 15.706 3.554 ( 9.399 6.527 -0.106) 11.443 4.219 ( -3.673 18.029 1.052) 18.429 5.363 ( -1.004 4.101 1.037) 4.348 5.628 ( -7.195 0.095 -5.027) 8.777 6.322 ( 3.456 3.490 0.946) 5.001 6.508 ( 3.460 3.738 -0.145) 5.096 6.835 ( -9.665 -1.625 3.028) 10.258 7.202 ( -0.266 2.343 -0.071) 2.360 8.077 ( -4.925 -6.666 -2.920) 8.787 8.669 ( 5.301 -0.233 7.695) 9.347 9.190 ( -5.079 -5.180 -4.029) 8.299 10.642 ( 12.800 -0.572 -0.219) 12.814 13.173 ( -17.353 -6.468 -0.190) 18.520 14.330 ( 10.496 6.586 -0.183) 12.393======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( -0.897 -6.300 10.606) 12.369 2.513 ( 0.695 4.408 -4.836) 6.581 2.898 ( 16.045 4.430 -6.475) 17.861 3.104 ( 16.511 17.291 -0.040) 23.908 3.796 ( 10.660 5.997 0.904) 12.265 4.298 ( -4.829 11.812 1.679) 12.871 5.343 ( -3.612 -0.586 -0.577) 3.704 5.502 ( -5.484 -0.665 -1.986) 5.870 6.306 ( -6.662 -3.127 -0.587) 7.382 6.626 ( 4.044 6.443 1.550) 7.763 6.747 ( 1.896 -1.462 2.378) 3.375 7.203 ( -0.678 -0.193 -0.157) 0.722 7.875 ( -8.376 -8.238 -2.807) 12.079 8.755 ( 3.601 -3.647 8.011) 9.511 9.066 ( -3.998 -0.145 -5.874) 7.107 10.891 ( 12.925 4.923 -0.155) 13.832 12.811 ( -14.825 -9.516 -0.151) 17.617 14.562 ( 7.744 7.748 -0.089) 10.954======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( -1.852 -6.844 2.896) 7.659 2.572 ( 1.099 5.166 -1.192) 5.414 3.189 ( 11.184 9.099 -6.160) 15.678 3.539 ( 11.248 19.645 -0.008) 22.637 4.019 ( 5.980 7.174 1.076) 9.401 4.303 ( -3.580 3.343 2.923) 5.704 5.246 ( -3.949 -3.126 -0.632) 5.076 5.406 ( -2.457 -5.281 0.266) 5.831 6.107 ( -6.157 -9.693 -0.129) 11.484 6.770 ( 4.199 6.211 1.502) 7.646 6.831 ( 3.499 4.866 0.463) 6.011 7.181 ( 0.286 -2.778 -0.358) 2.815 7.627 ( -8.255 -9.915 -1.580) 12.998 8.751 ( -0.336 -5.129 3.462) 6.197 9.034 ( -0.043 2.501 -2.930) 3.852 11.165 ( 7.579 13.069 -0.070) 15.107 12.481 ( -8.597 -14.987 -0.125) 17.278 14.743 ( 4.193 7.154 -0.063) 8.293======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( -1.101 -3.788 -0.739) 4.013 2.629 ( -0.055 3.927 0.646) 3.980 3.423 ( 4.280 14.215 -8.014) 16.871 3.840 ( -0.535 19.105 0.229) 19.114 4.098 ( -6.659 8.292 -1.243) 10.707 4.287 ( 2.459 -6.709 6.885) 9.923 5.179 ( 0.882 -3.699 1.295) 4.017 5.315 ( 1.080 -9.504 -0.085) 9.566 5.955 ( 1.853 -11.257 0.137) 11.409 6.886 ( 0.473 6.799 0.257) 6.820 6.915 ( -2.827 8.682 0.191) 9.133 7.155 ( 0.266 -4.417 -1.521) 4.679 7.439 ( 1.763 -11.074 0.508) 11.225 8.690 ( -1.909 -2.955 0.091) 3.519 9.069 ( 1.749 1.326 -0.473) 2.245 11.379 ( -4.513 21.448 -0.003) 21.918 12.244 ( 4.036 -21.483 -0.130) 21.859 14.842 ( -0.057 5.289 -0.065) 5.290======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( -0.464 -0.262 -0.667) 0.854 2.646 ( -1.430 1.488 0.516) 2.128 3.563 ( -4.124 17.400 -11.113) 21.054 3.847 ( -16.707 10.491 0.400) 19.732 4.026 ( -4.999 3.200 0.293) 5.942 4.238 ( -1.723 -10.873 8.456) 13.881 5.226 ( 6.602 -1.109 2.242) 7.060 5.271 ( 4.733 -8.655 -1.100) 9.925 5.965 ( 9.701 -7.155 -0.007) 12.054 6.870 ( -7.007 2.596 -1.386) 7.600 6.893 ( -9.664 6.757 1.451) 11.881 7.129 ( 4.252 -3.194 -0.726) 5.367 7.505 ( 12.466 -5.177 0.100) 13.499 8.638 ( -1.950 -0.501 0.278) 2.033 9.108 ( 2.051 0.091 -0.632) 2.148 11.379 ( -16.226 14.613 -0.006) 21.837 12.247 ( 16.800 -14.029 -0.145) 21.888 14.843 ( -4.465 2.769 -0.070) 5.254======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( -1.701 2.151 2.548) 3.743 2.612 ( -2.426 -1.484 -0.710) 2.931 3.527 ( -18.707 2.856 -3.350) 19.218 3.570 ( -13.490 9.021 -10.216) 19.176 3.971 ( -7.828 2.051 1.250) 8.188 4.077 ( -3.023 -12.003 10.156) 16.011 5.294 ( 5.154 -3.412 -1.970) 6.487 5.373 ( 8.234 1.792 1.648) 8.586 6.121 ( 11.811 -0.787 -0.594) 11.852 6.727 ( -8.658 -0.040 0.291) 8.663 6.787 ( -7.629 1.717 1.773) 8.019 7.203 ( 4.205 1.590 -0.680) 4.547 7.691 ( 12.467 -2.528 -1.377) 12.795 8.620 ( -1.379 2.052 2.891) 3.804 9.138 ( 2.198 -0.706 -2.153) 3.156 11.168 ( -14.859 0.037 -0.090) 14.859 12.487 ( 17.344 0.061 -0.156) 17.345 14.746 ( -8.203 0.069 -0.078) 8.204======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 0.000 -1.920 22.402) 22.484 2.112 ( -0.000 7.735 -0.842) 7.781 2.304 ( -0.000 9.858 -0.435) 9.868 2.615 ( -0.000 -3.804 -16.423) 16.858 3.369 ( -0.000 4.623 -1.149) 4.763 4.297 ( -0.000 21.033 0.095) 21.034 5.391 ( -0.000 8.413 0.696) 8.441 5.800 ( -0.000 -0.722 -4.084) 4.148 6.218 ( 0.000 6.174 1.911) 6.463 6.393 ( -0.000 -0.715 -1.514) 1.674 7.178 ( 0.000 3.625 2.911) 4.649 7.187 ( -0.000 6.309 -0.007) 6.309 8.137 ( -0.000 -4.050 -1.568) 4.343 8.541 ( 0.000 -1.404 4.987) 5.181 9.291 ( -0.000 -6.574 -2.199) 6.932 10.360 ( 0.000 -6.113 0.130) 6.114 13.720 ( 0.000 -4.809 -0.028) 4.809 13.928 ( -0.000 6.266 -0.436) 6.282======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( -0.434 -5.662 17.834) 18.716 2.290 ( 12.103 5.206 1.387) 13.248 2.508 ( 10.043 7.027 -3.509) 12.749 2.542 ( 2.710 -0.002 -11.595) 11.908 3.455 ( 6.096 2.679 -0.259) 6.664 4.464 ( -3.080 17.282 -0.528) 17.562 5.456 ( -2.203 7.006 -0.197) 7.347 5.735 ( -5.418 0.323 -2.960) 6.182 6.299 ( 3.015 3.374 -0.342) 4.537 6.442 ( 5.137 1.222 1.223) 5.421 7.077 ( -13.570 2.651 2.007) 13.972 7.247 ( -0.819 3.308 1.407) 3.687 8.066 ( -2.294 -5.477 -4.399) 7.390 8.588 ( 5.011 -2.174 7.632) 9.385 9.208 ( -2.865 -3.070 -3.679) 5.583 10.391 ( 10.534 -5.399 0.154) 11.838 13.455 ( -18.661 -2.859 -0.109) 18.879 14.172 ( 13.811 5.465 -0.143) 14.853======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( -0.751 -8.086 10.917) 13.606 2.508 ( 1.730 2.233 -7.371) 7.893 2.612 ( 18.372 2.871 0.377) 18.599 2.908 ( 20.380 10.204 -0.018) 22.792 3.628 ( 11.228 1.297 0.647) 11.322 4.530 ( -6.187 12.472 -1.394) 13.992 5.438 ( -5.429 3.254 -2.393) 6.766 5.622 ( -7.564 0.840 -0.554) 7.631 6.370 ( 0.590 2.072 -1.860) 2.846 6.573 ( 7.239 1.288 2.802) 7.868 6.827 ( -13.825 -0.346 1.993) 13.973 7.244 ( -2.434 1.373 1.536) 3.189 7.922 ( -6.289 -5.872 -4.643) 9.777 8.671 ( 4.601 -3.515 7.529) 9.497 9.122 ( -3.868 0.330 -4.300) 5.793 10.611 ( 18.476 -2.038 0.036) 18.588 13.076 ( -21.062 -3.280 -0.074) 21.316 14.454 ( 12.060 5.457 -0.010) 13.238======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( -1.669 -6.856 4.629) 8.439 2.569 ( 3.294 3.171 -3.386) 5.690 2.979 ( 18.596 4.372 2.257) 19.236 3.390 ( 22.171 10.726 -0.093) 24.630 3.859 ( 13.554 0.209 1.246) 13.613 4.493 ( -8.673 7.192 -2.244) 11.489 5.333 ( -7.393 0.684 -3.305) 8.127 5.481 ( -8.678 -1.366 1.282) 8.877 6.237 ( -14.289 -2.630 -0.962) 14.561 6.727 ( 8.924 0.740 2.156) 9.211 6.755 ( 3.385 2.470 0.937) 4.294 7.202 ( -3.378 -0.316 1.305) 3.635 7.710 ( -10.148 -5.407 -3.385) 11.987 8.703 ( 1.678 -4.290 4.488) 6.431 9.071 ( -2.219 2.275 -2.757) 4.207 10.964 ( 21.356 2.345 -0.004) 21.484 12.667 ( -21.384 -4.743 -0.019) 21.903 14.687 ( 8.810 4.490 0.028) 9.889======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( -1.024 -3.280 1.201) 3.640 2.641 ( 2.074 2.086 -0.747) 3.036 3.341 ( 15.646 7.003 1.952) 17.252 3.845 ( 16.886 9.642 -0.357) 19.448 4.071 ( 10.046 -2.102 1.849) 10.429 4.367 ( -10.071 1.822 -2.829) 10.618 5.205 ( -5.975 -0.001 -1.805) 6.242 5.306 ( -7.884 -4.360 1.047) 9.070 5.958 ( -11.063 -4.065 -0.178) 11.788 6.874 ( 5.776 2.569 1.288) 6.452 6.923 ( 10.373 3.220 -0.407) 10.869 7.133 ( -3.218 -2.313 1.030) 4.095 7.458 ( -12.125 -4.018 -1.619) 12.876 8.681 ( -0.288 -2.939 1.064) 3.139 9.069 ( -0.193 1.857 -0.561) 1.950 11.379 ( 20.857 6.835 -0.005) 21.948 12.243 ( -20.558 -7.318 0.020) 21.822 14.841 ( 4.673 2.569 0.020) 5.333======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 0.356 0.382 0.000) 0.522 2.667 ( -0.231 -0.276 0.005) 0.360 3.659 ( 9.804 11.035 -0.015) 14.761 4.053 ( -2.556 -0.975 0.132) 2.739 4.130 ( -1.133 -6.609 -0.289) 6.711 4.198 ( -4.684 -1.778 0.171) 5.013 5.162 ( 1.010 2.726 -0.026) 2.907 5.170 ( -1.878 -3.705 0.024) 4.154 5.834 ( 0.089 0.065 -0.001) 0.110 6.972 ( 0.695 0.220 0.047) 0.730 7.037 ( -1.420 -2.460 -0.144) 2.844 7.102 ( -0.431 1.307 0.109) 1.381 7.288 ( 1.556 1.386 -0.012) 2.084 8.655 ( -0.518 -0.595 0.000) 0.789 9.087 ( 0.623 0.695 -0.000) 0.933 11.811 ( -14.513 -16.139 -0.000) 21.704 11.814 ( 14.623 16.261 0.000) 21.869 14.896 ( 0.045 0.050 0.000) 0.067======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 0.985 2.888 0.830) 3.162 2.627 ( -2.280 -3.133 -0.439) 3.899 3.779 ( -11.508 2.857 -9.891) 15.441 3.849 ( -15.919 -10.448 -1.985) 19.145 3.975 ( 6.004 -2.403 10.776) 12.568 4.101 ( -6.243 -6.827 0.584) 9.269 5.172 ( 4.013 -0.437 -0.868) 4.129 5.299 ( 6.836 7.698 0.771) 10.324 5.957 ( 9.148 6.538 -0.300) 11.248 6.863 ( -8.300 -3.831 0.021) 9.142 6.910 ( -5.556 -4.207 0.630) 6.998 7.168 ( 3.017 5.369 1.062) 6.250 7.468 ( 11.069 2.952 -1.742) 11.588 8.658 ( 0.032 1.838 1.291) 2.247 9.101 ( 0.857 -0.200 -0.986) 1.322 11.379 ( -16.197 -14.596 -0.010) 21.803 12.249 ( 16.716 14.211 -0.075) 21.941 14.844 ( -4.465 -2.647 -0.024) 5.191======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 0.000 -10.177 16.736) 19.587 2.215 ( -0.000 3.594 -0.844) 3.692 2.478 ( -0.000 7.156 -0.123) 7.157 2.487 ( -0.000 -0.339 -10.426) 10.431 3.421 ( -0.000 1.383 0.341) 1.424 4.645 ( -0.000 13.594 -1.785) 13.710 5.545 ( -0.000 6.284 -2.111) 6.629 5.785 ( -0.000 0.704 -0.610) 0.932 6.287 ( -0.000 0.890 -2.143) 2.320 6.418 ( 0.000 2.489 2.980) 3.883 7.250 ( 0.000 1.619 4.033) 4.346 7.294 ( -0.000 4.472 -0.620) 4.515 8.026 ( -0.000 -4.105 -5.348) 6.742 8.524 ( 0.000 -3.668 7.759) 8.582 9.205 ( -0.000 -0.743 -3.354) 3.436 10.231 ( 0.000 -6.257 0.233) 6.261 13.639 ( 0.000 -3.240 -0.017) 3.240 14.061 ( -0.000 6.327 -0.036) 6.327======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( 0.128 -9.964 11.050) 14.879 2.352 ( 11.383 1.371 -2.011) 11.640 2.491 ( 2.483 2.902 -2.232) 4.424 2.669 ( 14.253 5.425 -0.052) 15.251 3.485 ( 5.949 0.514 1.118) 6.075 4.720 ( -3.608 8.861 -3.244) 10.103 5.553 ( -4.015 3.852 -4.542) 7.182 5.749 ( -5.106 1.033 1.669) 5.470 6.326 ( 4.158 1.023 -2.715) 5.070 6.487 ( 4.129 0.991 3.707) 5.636 7.126 ( -15.813 1.099 1.752) 15.948 7.303 ( -2.040 1.453 1.582) 2.963 7.949 ( -3.302 -2.807 -5.288) 6.837 8.565 ( 5.341 -3.689 7.150) 9.657 9.175 ( -2.441 1.013 -3.023) 4.016 10.292 ( 12.942 -4.035 0.100) 13.557 13.411 ( -18.627 -1.477 0.009) 18.686 14.272 ( 13.428 3.990 0.110) 14.009======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( -0.136 -6.681 5.836) 8.872 2.502 ( 6.073 1.515 -6.157) 8.780 2.709 ( 16.455 3.441 8.361) 18.776 3.051 ( 23.327 3.858 -0.072) 23.644 3.637 ( 10.985 -0.349 1.391) 11.079 4.681 ( -6.931 3.848 -4.693) 9.213 5.470 ( -7.182 2.527 -5.469) 9.375 5.639 ( -8.720 -0.346 2.667) 9.125 6.398 ( -0.390 2.180 -3.354) 4.020 6.579 ( 5.941 -2.319 4.203) 7.638 6.838 ( -13.384 0.137 1.131) 13.432 7.267 ( -3.386 -0.013 1.716) 3.796 7.826 ( -7.361 -0.836 -3.819) 8.335 8.629 ( 3.744 -3.596 4.752) 7.038 9.134 ( -3.013 1.966 -1.947) 4.091 10.577 ( 21.837 -1.042 0.013) 21.862 13.035 ( -22.726 -0.934 0.078) 22.746 14.534 ( 12.489 2.149 0.142) 12.673======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( -0.525 -2.861 2.391) 3.765 2.598 ( 4.332 1.241 -2.355) 5.085 3.087 ( 19.606 3.343 8.781) 21.741 3.505 ( 25.113 0.106 -0.141) 25.114 3.850 ( 13.038 -0.874 1.052) 13.109 4.534 ( -9.617 -1.332 -6.029) 11.428 5.343 ( -8.291 2.622 -4.305) 9.703 5.459 ( -11.085 -1.799 2.223) 11.448 6.210 ( -17.606 0.644 -0.715) 17.633 6.718 ( 11.623 -1.581 0.495) 11.741 6.790 ( 4.009 -0.736 1.262) 4.267 7.199 ( -4.476 -0.464 1.206) 4.658 7.663 ( -11.155 2.373 -1.816) 11.548 8.646 ( 1.359 -2.892 1.534) 3.544 9.107 ( -1.931 1.984 -0.217) 2.778 10.987 ( 24.885 0.022 0.017) 24.885 12.621 ( -24.098 0.100 0.136) 24.099 14.734 ( 9.072 0.039 0.115) 9.073======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( 0.500 0.242 0.237) 0.604 2.649 ( 1.516 -0.854 -0.327) 1.771 3.479 ( 18.283 3.295 9.502) 20.866 3.850 ( 17.593 -9.622 -0.199) 20.053 4.028 ( 6.605 -1.231 -0.443) 6.733 4.300 ( -10.224 -6.252 -6.826) 13.792 5.244 ( -5.175 4.903 -2.076) 7.425 5.262 ( -9.462 -0.287 1.081) 9.528 5.964 ( -11.206 4.656 0.140) 12.136 6.861 ( 5.945 -4.574 0.942) 7.560 6.905 ( 10.937 -4.641 -1.359) 11.958 7.124 ( -4.254 2.292 0.373) 4.846 7.503 ( -11.553 7.556 0.539) 13.815 8.642 ( 0.858 -1.197 -0.754) 1.655 9.101 ( -0.945 1.329 0.938) 1.881 11.379 ( 20.794 -6.769 0.008) 21.868 12.246 ( -20.527 7.524 0.157) 21.862 14.842 ( 4.663 -2.488 0.070) 5.286======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 0.000 -9.528 9.688) 13.588 2.260 ( -0.000 1.443 -0.309) 1.476 2.495 ( -0.000 3.705 -0.497) 3.739 2.577 ( -0.000 2.547 -0.062) 2.548 3.444 ( 0.000 0.523 2.074) 2.139 4.805 ( -0.000 3.967 -5.007) 6.388 5.611 ( -0.000 3.033 -5.866) 6.604 5.808 ( 0.000 0.130 3.037) 3.040 6.282 ( -0.000 0.591 -2.366) 2.439 6.470 ( 0.000 0.250 3.263) 3.273 7.282 ( 0.000 -0.507 3.724) 3.759 7.354 ( -0.000 1.800 -0.850) 1.990 7.946 ( -0.000 -0.598 -5.508) 5.541 8.493 ( 0.000 -3.119 7.297) 7.936 9.202 ( -0.000 1.375 -2.287) 2.668 10.137 ( 0.000 -2.701 0.030) 2.701 13.594 ( 0.000 -1.134 -0.005) 1.134 14.156 ( -0.000 2.628 0.301) 2.646======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 1.327 -6.066 6.175) 8.757 2.355 ( 8.624 0.388 -2.089) 8.882 2.586 ( 5.484 5.160 6.012) 9.636 2.725 ( 14.958 0.024 -0.041) 14.959 3.501 ( 5.291 0.237 2.599) 5.899 4.772 ( -3.613 -0.985 -6.596) 7.585 5.582 ( -4.258 2.477 -6.125) 7.860 5.764 ( -5.283 -1.366 3.315) 6.385 6.333 ( 5.075 1.448 -2.871) 6.008 6.498 ( 2.866 -2.092 3.603) 5.057 7.137 ( -16.391 -0.764 1.423) 16.470 7.321 ( -2.619 -0.313 1.245) 2.916 7.912 ( -3.006 1.599 -4.494) 5.639 8.535 ( 4.528 -2.489 5.729) 7.715 9.193 ( -1.994 1.573 -1.477) 2.938 10.248 ( 13.919 -0.072 -0.043) 13.919 13.397 ( -18.374 0.048 0.092) 18.374 14.316 ( 13.067 0.079 0.311) 13.070======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( 1.122 -3.053 2.505) 4.105 2.500 ( 7.531 0.672 -3.549) 8.353 2.836 ( 14.776 3.992 11.813) 19.334 3.052 ( 23.350 -3.803 -0.046) 23.657 3.644 ( 10.113 0.049 2.086) 10.326 4.626 ( -7.032 -5.760 -7.868) 12.023 5.493 ( -6.800 2.378 -4.982) 8.759 5.627 ( -9.092 -1.969 2.684) 9.682 6.418 ( -0.572 1.544 -3.765) 4.109 6.542 ( 5.649 -3.220 3.779) 7.521 6.831 ( -13.270 -1.451 0.944) 13.382 7.269 ( -3.412 -0.522 1.727) 3.860 7.849 ( -6.556 4.411 -2.868) 8.407 8.588 ( 2.739 -2.473 2.644) 4.540 9.167 ( -2.474 1.840 -0.110) 3.085 10.577 ( 21.909 1.054 0.008) 21.934 13.037 ( -22.696 1.089 0.186) 22.723 14.536 ( 12.438 -2.050 0.238) 12.608======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 1.114 -1.444 -0.429) 1.874 2.596 ( 3.847 -0.436 -1.277) 4.077 3.203 ( 18.857 2.281 12.960) 22.994 3.391 ( 22.186 -10.727 -0.028) 24.643 3.842 ( 11.703 -1.107 0.682) 11.775 4.378 ( -9.734 -9.625 -9.061) 16.416 5.383 ( -6.591 1.691 -2.021) 7.098 5.450 ( -10.361 1.532 0.868) 10.510 6.253 ( -14.847 3.614 -0.297) 15.283 6.669 ( 9.391 -3.264 -0.677) 9.965 6.742 ( 3.278 -4.135 0.670) 5.319 7.212 ( -3.475 1.196 1.616) 4.015 7.764 ( -9.220 7.501 -0.922) 11.922 8.602 ( 1.598 -1.870 -0.587) 2.529 9.148 ( -2.040 1.846 1.300) 3.043 10.966 ( 21.378 -2.179 0.090) 21.489 12.672 ( -21.376 4.876 0.207) 21.926 14.690 ( 8.758 -4.412 0.155) 9.808======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 0.000 -4.480 4.619) 6.435 2.271 ( 0.000 -0.401 0.176) 0.438 2.577 ( 0.000 -2.490 -0.045) 2.490 2.620 ( 0.000 7.203 5.697) 9.183 3.468 ( 0.000 0.235 3.839) 3.847 4.750 ( -0.000 -5.629 -8.097) 9.861 5.622 ( -0.000 1.083 -5.443) 5.550 5.801 ( 0.000 -2.246 2.799) 3.589 6.294 ( -0.000 1.864 -2.241) 2.915 6.453 ( 0.000 -3.588 2.915) 4.623 7.277 ( 0.000 -1.663 3.637) 3.999 7.355 ( -0.000 -1.261 -0.795) 1.490 7.938 ( -0.000 2.331 -5.713) 6.170 8.490 ( 0.000 -0.848 6.721) 6.774 9.220 ( -0.000 1.278 -1.260) 1.795 10.135 ( -0.000 2.546 -0.066) 2.547 13.595 ( -0.000 1.158 0.007) 1.158 14.160 ( 0.000 -2.399 0.513) 2.453======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 1.790 -3.571 1.431) 4.243 2.341 ( 8.186 -1.225 -0.867) 8.322 2.669 ( 14.242 -5.499 -0.043) 15.267 2.757 ( 5.058 7.631 9.415) 13.132 3.522 ( 4.880 -0.089 3.950) 6.279 4.618 ( -3.640 -9.877 -9.063) 13.890 5.578 ( -3.402 -1.229 -3.389) 4.957 5.741 ( -5.112 -1.028 1.320) 5.379 6.352 ( 4.543 1.784 -3.283) 5.882 6.443 ( 2.961 -4.899 3.469) 6.694 7.114 ( -16.253 -2.251 1.360) 16.465 7.311 ( -1.854 -1.399 1.926) 3.017 7.947 ( -1.027 4.026 -5.309) 6.742 8.531 ( 2.460 -0.873 4.998) 5.638 9.218 ( -1.364 1.617 -0.576) 2.192 10.290 ( 13.062 4.076 0.023) 13.683 13.414 ( -18.489 1.581 0.145) 18.557 14.278 ( 13.260 -3.851 0.400) 13.814======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 2.073 -4.391 -1.750) 5.162 2.479 ( 8.482 -1.568 -1.896) 8.832 2.907 ( 20.435 -10.260 -0.054) 22.866 3.000 ( 11.752 5.386 13.447) 18.654 3.648 ( 9.001 -1.468 2.487) 9.453 4.384 ( -6.839 -13.123 -9.752) 17.723 5.472 ( -4.922 -3.598 -0.517) 6.119 5.635 ( -7.786 3.065 -0.300) 8.373 6.398 ( 0.534 -2.677 -1.654) 3.192 6.506 ( 6.840 -1.304 0.600) 6.989 6.799 ( -14.670 -1.939 0.948) 14.828 7.273 ( -2.151 -0.188 2.791) 3.529 7.946 ( -3.887 6.486 -3.797) 8.461 8.558 ( 1.160 -1.654 1.608) 2.582 9.208 ( -1.982 2.186 0.633) 3.018 10.614 ( 18.622 2.353 0.189) 18.771 13.082 ( -21.021 3.369 0.207) 21.290 14.460 ( 11.930 -5.369 0.255) 13.085======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 0.000 -4.518 -0.814) 4.590 2.242 ( 0.000 -2.859 0.429) 2.891 2.479 ( 0.000 -7.153 -0.118) 7.154 2.828 ( 0.000 9.153 8.512) 12.499 3.489 ( 0.000 -0.856 5.093) 5.165 4.506 ( -0.000 -13.605 -9.697) 16.707 5.567 ( 0.000 -5.435 -0.820) 5.496 5.786 ( -0.000 1.143 -0.844) 1.421 6.316 ( -0.000 -0.632 -2.834) 2.904 6.376 ( 0.000 -3.339 3.088) 4.548 7.262 ( 0.000 -2.085 4.720) 5.160 7.296 ( 0.000 -4.228 -0.545) 4.263 7.961 ( -0.000 3.225 -7.184) 7.875 8.527 ( 0.000 0.830 6.300) 6.355 9.243 ( -0.000 1.809 -1.265) 2.207 10.230 ( -0.000 6.532 0.222) 6.535 13.639 ( -0.000 3.263 0.017) 3.263 14.074 ( 0.000 -6.116 0.560) 6.142======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 1.454 -7.042 -3.385) 7.948 2.286 ( 8.459 -4.364 -0.144) 9.520 2.512 ( 12.496 -9.804 -0.242) 15.885 2.974 ( 3.971 7.866 10.507) 13.713 3.523 ( 4.147 -2.637 4.408) 6.602 4.298 ( -3.385 -16.451 -10.066) 19.581 5.479 ( -2.291 -7.229 1.001) 7.649 5.768 ( -3.927 3.460 -1.592) 5.471 6.297 ( 3.119 -6.726 -0.552) 7.435 6.414 ( 3.627 1.510 0.030) 3.929 7.061 ( -15.199 -3.755 1.161) 15.699 7.291 ( 0.184 -2.120 3.683) 4.254 7.998 ( 1.753 4.060 -6.864) 8.166 8.551 ( -0.301 0.229 4.801) 4.816 9.255 ( -0.707 2.592 -1.103) 2.904 10.397 ( 10.637 6.013 0.460) 12.228 13.460 ( -18.495 2.953 0.150) 18.730 14.182 ( 13.554 -5.397 0.341) 14.593======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -0.000 -9.512 -5.040) 10.765 2.146 ( 0.000 -7.798 0.796) 7.838 2.303 ( 0.000 -9.637 -0.593) 9.655 3.040 ( 0.000 5.819 9.048) 10.758 3.467 ( 0.000 -4.840 5.216) 7.115 4.122 ( -0.000 -18.535 -10.319) 21.214 5.423 ( 0.000 -8.174 2.274) 8.484 5.831 ( -0.000 3.737 -2.767) 4.650 6.186 ( 0.000 -8.785 0.168) 8.787 6.410 ( -0.000 3.323 -0.478) 3.357 7.184 ( 0.000 -6.617 -0.137) 6.618 7.241 ( 0.000 -3.025 5.925) 6.652 7.983 ( -0.000 2.540 -7.094) 7.535 8.582 ( 0.000 1.331 5.517) 5.675 9.284 ( -0.000 3.540 -2.803) 4.515 10.376 ( -0.000 7.063 0.873) 7.117 13.722 ( -0.000 4.827 0.025) 4.827 13.946 ( 0.000 -6.182 0.375) 6.194======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.484 ( 0.000 -0.000 18.705) 18.705 0.484 ( 0.000 -0.000 18.705) 18.705 1.229 ( 0.000 -0.000 48.895) 48.895 1.317 ( -0.000 0.000 -4.012) 4.012 1.317 ( -0.000 0.000 -4.012) 4.012 3.792 ( -0.000 0.000 -15.836) 15.836 5.675 ( 0.000 -0.000 3.745) 3.745 5.675 ( 0.000 -0.000 3.745) 3.745 6.129 ( 0.000 -0.000 0.288) 0.288 6.404 ( -0.000 0.000 -8.494) 8.494 6.404 ( -0.000 0.000 -8.494) 8.494 6.760 ( 0.000 -0.000 5.018) 5.018 6.760 ( 0.000 -0.000 5.018) 5.018 8.447 ( -0.000 0.000 -0.968) 0.968 10.414 ( 0.000 -0.000 0.568) 0.568 10.675 ( 0.000 -0.000 0.333) 0.333 14.124 ( 0.000 0.000 -0.003) 0.003 14.124 ( -0.000 0.000 -0.003) 0.003======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( 17.998 10.391 12.573) 24.290 0.935 ( 23.155 13.369 12.279) 29.422 1.359 ( 6.027 3.479 -5.294) 8.743 1.397 ( 10.420 6.016 33.590) 35.680 1.649 ( 22.010 12.707 4.049) 25.735 3.673 ( -3.599 -2.078 -17.060) 17.559 5.705 ( 1.812 1.046 4.070) 4.576 5.707 ( -5.940 -3.430 -5.157) 8.582 5.842 ( -7.949 -4.589 -1.774) 9.349 6.379 ( 0.481 0.278 -8.072) 8.092 6.669 ( 10.571 6.103 -4.448) 12.992 6.799 ( 1.697 0.980 4.289) 4.715 7.092 ( 24.531 14.163 4.836) 28.736 8.539 ( 5.086 2.936 -9.247) 10.954 10.407 ( -12.396 -7.157 8.314) 16.553 10.437 ( -3.670 -2.119 2.627) 4.986 14.074 ( -4.120 -2.379 0.007) 4.757 14.101 ( -1.985 -1.146 -0.006) 2.292======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( 4.810 2.777 27.534) 28.089 1.286 ( 17.679 10.207 7.441) 21.728 1.544 ( 10.428 6.021 -5.104) 13.078 2.004 ( 31.427 18.144 9.727) 37.569 2.227 ( 25.587 14.772 2.238) 29.630 3.565 ( -1.942 -1.121 -18.331) 18.467 5.487 ( -7.686 -4.438 -2.968) 9.359 5.734 ( -3.539 -2.043 -3.812) 5.588 5.786 ( 4.323 2.496 4.401) 6.655 6.373 ( 0.596 0.344 -7.103) 7.137 6.864 ( 3.144 1.815 3.203) 4.841 6.891 ( 9.665 5.580 -3.817) 11.795 7.670 ( 22.120 12.771 8.422) 26.895 8.555 ( -0.986 -0.569 -11.340) 11.397 10.055 ( -16.404 -9.471 12.046) 22.448 10.469 ( 2.227 1.286 -1.334) 2.897 13.956 ( -5.462 -3.154 -0.246) 6.312 14.035 ( -3.641 -2.102 -0.024) 4.204======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 5.494 3.172 26.641) 27.386 1.682 ( 15.232 8.794 3.882) 18.012 1.780 ( 10.414 6.013 -3.884) 12.637 2.692 ( 23.892 13.794 -1.224) 27.615 2.814 ( 25.148 14.519 1.714) 29.089 3.477 ( -1.517 -0.876 -13.134) 13.250 5.381 ( -0.689 -0.398 -2.236) 2.373 5.654 ( -2.556 -1.476 -2.918) 4.150 5.929 ( 6.909 3.989 4.565) 9.191 6.361 ( -0.273 -0.158 -5.603) 5.612 6.960 ( 4.460 2.575 1.773) 5.446 7.087 ( 8.046 4.645 -3.414) 9.898 8.085 ( 8.814 5.089 11.002) 14.987 8.496 ( 1.475 0.851 -10.527) 10.664 9.715 ( -15.409 -8.896 8.441) 19.693 10.510 ( 1.178 0.680 -1.741) 2.210 13.850 ( -2.979 -1.720 -0.482) 3.474 13.938 ( -4.652 -2.686 -0.042) 5.372======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 7.114 4.107 22.650) 24.094 1.982 ( 7.738 4.467 -1.466) 9.054 2.015 ( 12.855 7.422 0.557) 14.854 3.067 ( 7.642 4.412 -18.201) 20.227 3.179 ( 5.470 3.158 -3.302) 7.127 3.616 ( 18.186 10.499 7.515) 22.303 5.437 ( 5.613 3.241 -2.493) 6.944 5.596 ( -2.125 -1.227 -1.149) 2.709 6.119 ( 8.081 4.666 4.404) 10.318 6.332 ( -0.936 -0.541 -4.198) 4.335 7.073 ( 4.900 2.829 0.584) 5.688 7.244 ( 6.227 3.595 -2.908) 7.757 8.081 ( -7.125 -4.114 5.738) 10.031 8.650 ( 10.217 5.899 -3.849) 12.409 9.393 ( -13.900 -8.025 4.808) 16.755 10.492 ( -2.624 -1.515 -1.308) 3.300 13.827 ( -4.839 -2.794 -0.048) 5.588 13.837 ( 2.096 1.210 -0.578) 2.489======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 6.168 3.561 17.959) 19.320 2.122 ( 4.946 2.855 -1.246) 5.845 2.282 ( 10.031 5.792 0.317) 11.588 2.914 ( -8.841 -5.105 -21.894) 24.157 3.363 ( 7.355 4.246 -1.622) 8.646 4.085 ( 17.451 10.075 9.040) 22.085 5.529 ( -1.034 -0.597 -4.783) 4.930 5.610 ( 6.555 3.784 3.132) 8.191 6.263 ( 0.394 0.228 1.746) 1.804 6.345 ( 5.738 3.313 -1.259) 6.744 7.183 ( 4.367 2.521 0.128) 5.044 7.355 ( 3.984 2.300 -2.827) 5.400 7.920 ( -6.821 -3.938 4.614) 9.128 8.848 ( 7.225 4.172 -4.300) 9.386 9.112 ( -10.859 -6.270 3.725) 13.081 10.385 ( -5.997 -3.462 -0.665) 6.956 13.721 ( -4.182 -2.414 -0.039) 4.829 13.933 ( 5.832 3.367 -0.587) 6.760======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 1.101 0.635 10.210) 10.289 2.209 ( 2.925 1.689 -0.603) 3.431 2.474 ( 6.417 3.705 0.090) 7.411 2.660 ( -6.645 -3.837 -17.688) 19.281 3.486 ( 4.175 2.410 -4.208) 6.399 4.430 ( 9.979 5.762 9.823) 15.142 5.487 ( -1.279 -0.739 0.407) 1.533 5.768 ( 5.634 3.253 0.425) 6.520 6.243 ( -0.997 -0.575 0.458) 1.239 6.482 ( 4.776 2.757 -0.574) 5.545 7.271 ( 3.176 1.834 0.451) 3.695 7.405 ( 0.953 0.550 -3.380) 3.555 7.819 ( -2.844 -1.642 4.650) 5.693 8.846 ( -5.904 -3.409 -9.012) 11.300 9.033 ( 3.116 1.799 6.202) 7.170 10.239 ( -5.928 -3.423 -0.180) 6.848 13.639 ( -2.814 -1.625 -0.021) 3.249 14.072 ( 5.673 3.275 -0.572) 6.575======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.946 ( -6.721 -3.880 -3.773) 8.630 2.258 ( 1.357 0.783 -0.104) 1.570 2.575 ( 2.236 1.291 0.056) 2.582 2.585 ( 3.005 1.735 -7.353) 8.131 3.542 ( 2.038 1.177 -5.927) 6.377 4.595 ( 2.019 1.166 10.790) 11.039 5.486 ( 0.796 0.460 3.580) 3.697 5.852 ( 1.497 0.864 -0.672) 1.855 6.235 ( 0.121 0.070 1.307) 1.315 6.543 ( 0.735 0.425 -2.225) 2.381 7.328 ( 1.441 0.832 1.024) 1.954 7.390 ( -0.942 -0.544 -4.140) 4.281 7.806 ( 0.218 0.126 4.803) 4.810 8.700 ( -4.146 -2.394 -7.999) 9.322 9.123 ( 2.908 1.679 3.741) 5.027 10.137 ( -2.505 -1.447 0.042) 2.893 13.594 ( -0.982 -0.567 -0.006) 1.134 14.168 ( 2.341 1.352 -0.557) 2.760======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( -7.034 -4.061 -7.801) 11.262 2.271 ( -0.217 -0.125 0.127) 0.281 2.576 ( -2.165 -1.250 0.073) 2.501 2.705 ( 7.770 4.486 -4.316) 9.956 3.555 ( 0.593 0.343 -6.595) 6.630 4.588 ( -5.148 -2.972 11.146) 12.632 5.536 ( 2.049 1.183 4.896) 5.438 5.835 ( -2.480 -1.432 -1.377) 3.177 6.257 ( 1.369 0.790 2.103) 2.631 6.506 ( -3.146 -1.817 -3.229) 4.861 7.338 ( -0.880 -0.508 1.161) 1.543 7.351 ( -1.275 -0.736 -4.966) 5.179 7.841 ( 1.462 0.844 5.680) 5.926 8.615 ( -1.417 -0.818 -8.109) 8.272 9.184 ( 1.700 0.982 3.171) 3.729 10.134 ( 2.288 1.321 0.004) 2.642 13.595 ( 1.008 0.582 -0.001) 1.163 14.169 ( -2.078 -1.199 -0.531) 2.457======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( -6.397 -3.693 -3.055) 7.994 2.244 ( -2.349 -1.356 -0.029) 2.713 2.478 ( -6.255 -3.611 0.154) 7.224 2.889 ( 8.757 5.056 -6.333) 11.931 3.535 ( -0.925 -0.534 -6.105) 6.197 4.422 ( -11.657 -6.730 10.837) 17.281 5.558 ( -2.681 -1.548 1.452) 3.419 5.779 ( -0.411 -0.237 1.003) 1.110 6.295 ( 0.114 0.066 2.503) 2.507 6.401 ( -3.810 -2.200 -3.082) 5.372 7.291 ( -3.477 -2.008 0.740) 4.083 7.304 ( -1.629 -0.941 -5.598) 5.906 7.903 ( 2.477 1.430 6.948) 7.514 8.583 ( 0.296 0.171 -7.454) 7.461 9.227 ( 1.547 0.893 2.753) 3.282 10.232 ( 5.822 3.361 -0.306) 6.729 13.640 ( 2.830 1.634 -0.008) 3.268 14.078 ( -5.323 -3.073 -0.475) 6.165======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.728 ( 0.000 16.862 11.238) 20.264 1.051 ( 0.000 25.002 15.811) 29.582 1.419 ( -0.000 9.880 -3.412) 10.452 1.502 ( -0.000 21.075 6.033) 21.921 1.593 ( 0.000 14.487 27.872) 31.412 3.620 ( -0.000 -4.692 -18.485) 19.071 5.718 ( 0.000 1.966 4.202) 4.639 5.728 ( 0.000 -10.669 -2.702) 11.006 5.846 ( -0.000 -1.201 -4.293) 4.458 6.395 ( -0.000 2.641 -8.552) 8.950 6.618 ( -0.000 9.635 -3.361) 10.204 6.784 ( 0.000 0.580 4.709) 4.745 7.087 ( -0.000 25.563 5.036) 26.054 8.525 ( -0.000 6.025 -7.846) 9.893 10.421 ( 0.000 -2.837 1.979) 3.459 10.442 ( 0.000 -15.520 7.255) 17.132 14.082 ( 0.000 -3.996 -0.187) 4.000 14.101 ( 0.000 -2.323 -0.010) 2.323======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 17.268 15.283 7.159) 24.145 1.305 ( 2.186 7.909 23.983) 25.348 1.534 ( 2.710 14.955 -4.109) 15.744 1.907 ( 12.799 29.704 9.264) 33.645 2.003 ( 18.045 19.157 9.018) 27.820 3.522 ( -0.813 -1.754 -20.078) 20.171 5.517 ( -5.389 -11.021 -1.892) 12.413 5.759 ( -0.766 0.319 1.776) 1.960 5.826 ( -2.052 5.114 -2.634) 6.107 6.378 ( -1.522 2.816 -7.290) 7.962 6.785 ( 7.536 6.761 -2.649) 10.465 6.825 ( 2.835 0.807 3.465) 4.549 7.520 ( 15.835 21.927 6.779) 27.883 8.550 ( -0.569 2.359 -9.753) 10.051 10.186 ( -9.356 -16.666 10.834) 21.970 10.447 ( 1.541 1.380 -1.042) 2.316 13.974 ( -4.814 -7.142 0.082) 8.613 14.080 ( -0.831 -1.171 -0.329) 1.473======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 4.056 3.751 25.083) 25.684 1.577 ( 13.876 14.760 5.781) 21.067 1.753 ( 4.949 15.671 -3.352) 16.772 2.489 ( 19.252 21.527 -1.974) 28.947 2.562 ( 21.675 18.866 7.187) 29.620 3.454 ( -0.586 0.807 -17.257) 17.286 5.368 ( -1.482 -5.032 -1.800) 5.546 5.689 ( -4.074 -0.926 -3.243) 5.289 5.917 ( 3.259 7.170 4.098) 8.878 6.363 ( -1.049 1.834 -5.669) 6.050 6.885 ( 4.392 -0.594 2.929) 5.313 6.989 ( 7.912 5.615 -3.784) 10.414 7.996 ( 13.920 13.168 9.410) 21.347 8.497 ( -2.937 0.647 -9.533) 9.997 9.871 ( -12.188 -13.722 8.548) 20.246 10.497 ( 2.038 2.578 -1.816) 3.754 13.801 ( -4.117 -10.674 0.041) 11.441 14.050 ( -2.933 2.379 -0.382) 3.796======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 5.773 4.258 24.057) 25.104 1.948 ( 10.162 15.254 2.965) 18.568 1.974 ( 3.800 14.191 -2.940) 14.983 2.905 ( 12.567 7.579 -12.712) 19.416 3.082 ( 13.725 12.309 -0.836) 18.455 3.490 ( 7.775 8.456 -1.156) 11.545 5.363 ( 4.115 0.218 -1.903) 4.539 5.608 ( -2.540 -2.154 -2.535) 4.185 6.083 ( 5.411 8.158 4.675) 10.848 6.344 ( -1.397 1.158 -4.111) 4.494 6.968 ( 6.039 -2.369 1.620) 6.686 7.154 ( 6.926 3.547 -3.676) 8.606 8.177 ( -4.317 -1.275 6.946) 8.277 8.544 ( 8.018 7.804 -5.105) 12.299 9.545 ( -12.737 -11.410 5.188) 17.870 10.538 ( -0.984 3.373 -1.679) 3.894 13.639 ( 0.135 -14.102 -0.108) 14.103 14.037 ( -3.911 7.742 -0.344) 8.681======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 5.839 3.949 20.462) 21.642 2.135 ( 1.323 10.596 -1.337) 10.762 2.259 ( 6.777 16.103 0.530) 17.478 2.936 ( -3.475 -1.764 -24.079) 24.393 3.322 ( 5.342 9.550 0.830) 10.974 3.886 ( 18.849 10.704 8.044) 23.121 5.479 ( 6.415 2.991 -4.977) 8.652 5.547 ( 0.343 -4.293 2.105) 4.793 6.271 ( 4.040 6.574 4.747) 9.059 6.325 ( -0.147 2.902 -3.496) 4.546 7.048 ( 7.266 -5.497 0.510) 9.126 7.279 ( 5.688 1.483 -3.395) 6.788 8.028 ( -8.457 -3.884 4.368) 10.281 8.763 ( 7.983 6.517 -2.360) 10.572 9.241 ( -11.416 -8.981 2.748) 14.783 10.506 ( -6.513 4.066 -1.022) 7.746 13.527 ( 4.658 -16.801 -0.186) 17.436 14.078 ( -3.043 12.839 -0.337) 13.199======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.014 ( 2.681 0.496 14.499) 14.753 2.225 ( -0.244 6.678 -1.363) 6.820 2.503 ( 2.702 15.901 -0.158) 16.130 2.755 ( -8.538 3.001 -21.008) 22.874 3.471 ( 2.134 7.428 -1.411) 7.856 4.291 ( 14.960 5.522 8.932) 18.278 5.474 ( -0.305 -3.466 -1.241) 3.694 5.659 ( 8.555 0.046 0.881) 8.600 6.285 ( -2.194 1.920 0.415) 2.945 6.459 ( 3.892 7.365 0.319) 8.336 7.109 ( 8.383 -9.590 0.051) 12.738 7.357 ( 3.531 -0.324 -3.430) 4.933 7.877 ( -5.388 -3.455 4.592) 7.878 8.896 ( -0.785 3.816 -9.233) 10.021 9.022 ( -2.754 -5.398 7.311) 9.496 10.403 ( -10.272 5.922 -0.409) 11.864 13.456 ( 6.906 -17.529 -0.176) 18.841 14.177 ( -1.935 14.723 -0.372) 14.854======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( -4.518 -5.520 0.306) 7.140 2.277 ( -0.024 5.238 0.983) 5.330 2.647 ( -3.928 11.910 -10.082) 16.091 2.672 ( -3.508 14.173 -2.493) 14.812 3.543 ( -0.177 5.527 -3.814) 6.718 4.547 ( 7.842 0.570 10.007) 12.727 5.453 ( 1.958 -3.483 2.756) 4.854 5.777 ( 5.818 -2.390 -0.495) 6.310 6.275 ( -1.939 3.107 1.338) 3.899 6.558 ( 0.210 5.083 -1.768) 5.386 7.147 ( 9.063 -13.218 0.048) 16.026 7.375 ( 0.960 -1.569 -3.419) 3.882 7.811 ( -0.396 -2.325 4.697) 5.255 8.766 ( -7.034 -0.629 -7.672) 10.427 9.081 ( 4.389 0.379 4.084) 6.007 10.294 ( -10.180 9.012 -0.050) 13.596 13.413 ( 8.002 -16.769 -0.141) 18.581 14.279 ( -3.072 13.526 -0.408) 13.876======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -6.735 -4.421 -7.049) 10.705 2.323 ( -1.619 5.536 1.651) 6.000 2.702 ( -0.112 12.030 -7.538) 14.197 2.724 ( -7.393 12.932 -0.030) 14.896 3.565 ( -1.289 4.273 -5.279) 6.913 4.626 ( 0.152 -3.938 10.802) 11.499 5.489 ( 4.098 -2.393 5.088) 6.958 5.802 ( 1.860 -5.093 -1.533) 5.634 6.289 ( -1.176 4.192 2.311) 4.929 6.557 ( -3.482 2.085 -3.358) 5.267 7.155 ( 8.238 -15.154 -0.522) 17.257 7.356 ( 0.215 -1.966 -2.934) 3.538 7.831 ( 2.492 -0.723 4.971) 5.607 8.645 ( -4.443 0.361 -7.205) 8.472 9.158 ( 3.078 0.178 2.729) 4.117 10.247 ( -7.057 12.028 0.054) 13.945 13.399 ( 9.191 -15.790 -0.122) 18.270 14.322 ( -6.363 11.233 -0.419) 12.917======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( -5.952 -1.950 -4.320) 7.609 2.333 ( -4.377 5.827 0.996) 7.356 2.668 ( -11.910 9.587 0.075) 15.289 2.829 ( 3.911 10.094 -8.072) 13.504 3.560 ( -2.232 3.636 -5.363) 6.853 4.536 ( -6.756 -8.077 10.759) 15.055 5.548 ( 2.410 -2.483 4.040) 5.319 5.751 ( 0.416 -5.565 -1.158) 5.699 6.326 ( -0.686 4.269 3.050) 5.291 6.472 ( -5.944 0.284 -3.617) 6.963 7.125 ( 6.418 -15.605 -1.301) 16.923 7.331 ( -0.240 -1.792 -2.848) 3.374 7.901 ( 3.262 1.531 5.976) 6.978 8.578 ( -1.847 0.456 -6.438) 6.713 9.209 ( 2.142 0.171 1.734) 2.761 10.290 ( -2.918 13.402 -0.068) 13.716 13.415 ( 10.594 -15.170 -0.129) 18.503 14.282 ( -9.933 9.481 -0.395) 13.737======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -0.000 19.959 5.465) 20.694 1.454 ( 0.000 7.064 27.137) 28.042 1.642 ( -0.000 13.157 -2.776) 13.447 2.033 ( -0.000 27.527 -4.986) 27.975 2.204 ( 0.000 31.622 16.593) 35.711 3.462 ( -0.000 0.213 -20.651) 20.652 5.436 ( 0.000 -12.175 -1.002) 12.216 5.801 ( 0.000 4.095 4.318) 5.951 5.867 ( -0.000 1.853 -6.887) 7.132 6.408 ( -0.000 2.836 -7.969) 8.459 6.782 ( -0.000 8.500 -0.838) 8.541 6.838 ( 0.000 2.617 4.015) 4.793 7.629 ( 0.000 22.853 7.577) 24.076 8.556 ( -0.000 2.050 -9.113) 9.341 10.110 ( 0.000 -18.691 9.711) 21.063 10.442 ( -0.000 1.330 -1.099) 1.725 13.975 ( 0.000 -5.972 -0.538) 5.996 14.034 ( 0.000 -4.217 -0.017) 4.217======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 11.775 16.988 5.122) 21.295 1.568 ( 0.116 6.552 24.032) 24.909 1.831 ( 5.131 14.808 -1.254) 15.722 2.386 ( 11.566 20.082 -4.922) 23.691 2.611 ( 6.719 29.019 9.262) 31.193 3.431 ( 0.197 4.603 -18.032) 18.612 5.322 ( -0.653 -7.034 -0.578) 7.088 5.765 ( -5.775 0.759 -3.692) 6.896 5.936 ( 3.869 5.600 1.854) 7.054 6.397 ( -1.517 2.548 -6.080) 6.765 6.864 ( -0.431 2.268 3.400) 4.109 6.922 ( 5.334 6.941 -1.616) 8.902 7.953 ( 9.852 15.739 8.574) 20.452 8.529 ( -2.040 0.881 -8.220) 8.515 9.896 ( -6.046 -16.943 7.519) 19.498 10.476 ( 2.429 2.116 -1.446) 3.531 13.809 ( -7.890 -8.743 -0.127) 11.777 14.052 ( 3.317 -1.236 -0.432) 3.566======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( 2.436 6.071 23.878) 24.758 1.916 ( 13.464 16.352 2.756) 21.361 2.068 ( 4.150 16.082 -1.757) 16.702 2.722 ( 11.915 6.998 -10.357) 17.269 3.028 ( 10.277 19.716 2.246) 22.347 3.494 ( 2.673 12.317 -7.351) 14.591 5.293 ( 2.631 -1.618 0.043) 3.089 5.651 ( -5.489 -0.680 -5.203) 7.594 6.088 ( 5.093 7.306 4.119) 9.812 6.381 ( -1.772 2.629 -4.182) 5.248 6.884 ( 1.190 -0.968 2.990) 3.361 7.071 ( 5.569 4.470 -2.872) 7.697 8.216 ( 2.844 2.507 7.171) 8.112 8.511 ( 2.165 5.652 -5.058) 7.888 9.620 ( -9.169 -14.358 4.307) 17.572 10.555 ( 3.152 3.892 -1.518) 5.233 13.567 ( -7.271 -12.140 -0.030) 14.150 14.111 ( 2.155 3.926 -0.404) 4.497======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 4.060 4.749 21.845) 22.721 2.237 ( 2.111 12.247 -0.527) 12.439 2.317 ( 8.046 19.780 -0.463) 21.359 2.850 ( 4.963 -0.735 -19.760) 20.387 3.344 ( 6.689 13.710 0.157) 15.256 3.754 ( 10.917 14.358 4.272) 18.535 5.373 ( 6.311 0.730 0.843) 6.409 5.540 ( -3.962 -2.289 -5.055) 6.818 6.270 ( 5.636 6.926 4.772) 10.125 6.366 ( -1.813 3.392 -3.129) 4.958 6.898 ( 2.924 -5.027 1.754) 6.075 7.187 ( 5.161 1.715 -3.077) 6.249 8.141 ( -7.512 -4.347 2.632) 9.070 8.687 ( 7.850 6.532 0.518) 10.225 9.331 ( -9.848 -11.321 1.202) 15.053 10.631 ( -0.569 6.538 -1.110) 6.656 13.337 ( -2.748 -15.413 -0.094) 15.656 14.205 ( 1.350 9.066 -0.284) 9.170======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.016 ( 2.192 0.058 17.059) 17.199 2.320 ( -2.001 7.712 -3.274) 8.614 2.641 ( 4.551 21.521 -0.752) 22.010 2.841 ( -1.156 6.178 -19.429) 20.420 3.545 ( 1.501 12.245 0.748) 12.359 4.109 ( 14.255 7.343 7.096) 17.535 5.443 ( -1.504 -5.070 -1.414) 5.474 5.508 ( 7.601 0.241 -0.583) 7.628 6.334 ( -1.183 0.980 0.536) 1.627 6.474 ( 4.705 8.633 1.433) 9.935 6.890 ( 3.909 -9.021 0.142) 9.833 7.269 ( 4.568 -0.679 -2.975) 5.493 7.958 ( -7.719 -5.588 2.867) 9.951 8.867 ( 6.382 4.244 0.227) 7.667 9.071 ( -8.563 -8.301 -0.518) 11.937 10.649 ( -6.782 10.336 -0.566) 12.375 13.172 ( 3.159 -18.206 -0.162) 18.479 14.331 ( 0.583 12.424 -0.233) 12.440======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( -3.102 -6.738 3.933) 8.396 2.360 ( -1.087 7.692 0.447) 7.781 2.833 ( -3.673 15.396 -14.006) 21.135 2.911 ( -1.918 21.826 -1.080) 21.937 3.647 ( -2.856 10.664 -0.746) 11.065 4.401 ( 11.768 0.834 8.488) 14.534 5.383 ( 1.060 -5.393 1.375) 5.665 5.622 ( 7.326 -3.944 -0.367) 8.329 6.330 ( -0.260 0.649 1.282) 1.460 6.615 ( 1.053 7.868 -0.393) 7.948 6.861 ( 5.649 -12.302 -0.608) 13.551 7.311 ( 2.910 -2.416 -3.084) 4.880 7.807 ( -3.168 -6.253 3.644) 7.900 8.860 ( -7.341 -2.960 -5.706) 9.758 9.006 ( 5.532 0.330 3.638) 6.629 10.614 ( -11.105 14.795 -0.183) 18.500 13.078 ( 7.769 -19.854 -0.185) 21.321 14.458 ( -1.178 13.139 -0.243) 13.194======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( -4.891 -5.765 -4.382) 8.738 2.424 ( -1.321 7.563 3.243) 8.335 2.879 ( -5.057 16.900 -12.080) 21.380 3.050 ( -8.307 22.091 0.067) 23.601 3.670 ( -4.687 8.904 -2.612) 10.395 4.561 ( 5.562 -4.402 9.647) 11.974 5.386 ( 4.425 -4.878 4.415) 7.929 5.671 ( 5.093 -7.550 -1.296) 9.199 6.349 ( 0.923 0.849 2.583) 2.871 6.643 ( -3.888 3.992 -3.492) 6.576 6.851 ( 6.974 -11.909 -0.240) 13.803 7.306 ( 1.264 -3.523 -2.838) 4.697 7.759 ( 3.191 -5.275 3.944) 7.319 8.713 ( -5.358 -1.479 -5.035) 7.500 9.100 ( 4.185 -0.013 2.038) 4.655 10.577 ( -11.881 18.381 -0.014) 21.887 13.037 ( 10.587 -20.120 -0.186) 22.736 14.537 ( -4.303 11.825 -0.263) 12.586======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -4.265 -2.104 -4.136) 6.303 2.473 ( -2.712 7.142 3.035) 8.220 2.933 ( -3.878 15.883 -11.879) 20.209 3.051 ( -14.948 18.321 0.056) 23.645 3.665 ( -4.612 8.143 -3.221) 9.898 4.553 ( -1.776 -9.072 10.126) 13.710 5.452 ( 5.971 -4.013 5.058) 8.794 5.646 ( 2.718 -9.096 -2.032) 9.708 6.388 ( 1.173 1.098 3.653) 3.991 6.574 ( -5.485 2.013 -4.060) 7.115 6.839 ( 5.467 -12.186 -0.984) 13.392 7.285 ( 1.364 -3.334 -2.390) 4.323 7.821 ( 6.802 -2.693 3.878) 8.280 8.615 ( -3.586 -0.381 -3.941) 5.343 9.163 ( 3.139 -0.528 0.794) 3.281 10.577 ( -10.029 19.538 -0.013) 21.962 13.039 ( 12.297 -19.095 -0.194) 22.713 14.538 ( -7.963 9.700 -0.266) 12.553======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( -0.000 18.153 2.623) 18.341 1.719 ( 0.000 5.375 26.890) 27.422 1.886 ( -0.000 12.165 -2.341) 12.388 2.481 ( -0.000 18.211 -7.728) 19.783 2.856 ( -0.000 24.498 5.232) 25.051 3.465 ( -0.000 12.264 -14.121) 18.703 5.262 ( 0.000 -4.616 0.052) 4.616 5.845 ( -0.000 -0.178 -6.584) 6.587 5.928 ( 0.000 6.266 4.212) 7.550 6.413 ( -0.000 1.391 -6.519) 6.666 6.933 ( 0.000 5.000 2.622) 5.646 6.945 ( -0.000 7.624 0.819) 7.668 8.033 ( 0.000 12.388 8.515) 15.032 8.532 ( -0.000 0.620 -7.304) 7.330 9.793 ( 0.000 -17.116 5.723) 18.047 10.462 ( -0.000 0.905 -0.941) 1.306 13.866 ( 0.000 -3.803 -0.781) 3.883 13.937 ( 0.000 -5.364 -0.021) 5.364======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( -1.116 6.395 22.649) 23.561 1.850 ( 11.364 15.331 1.992) 19.187 2.092 ( 8.327 11.677 0.071) 14.342 2.626 ( 3.806 6.571 -11.743) 13.984 3.102 ( 4.063 16.866 0.321) 17.351 3.611 ( 0.632 20.473 -6.010) 21.346 5.249 ( 1.277 -0.022 0.903) 1.565 5.747 ( -6.719 0.116 -5.853) 8.912 6.070 ( 5.490 6.283 3.455) 9.030 6.410 ( 0.150 1.614 -4.905) 5.165 6.938 ( -4.465 3.336 2.754) 6.217 7.051 ( 2.520 6.229 0.127) 6.721 8.193 ( 4.159 3.373 6.018) 8.056 8.525 ( 0.514 3.037 -3.914) 4.980 9.599 ( -4.564 -15.256 2.918) 16.190 10.504 ( 4.330 0.768 -0.694) 4.452 13.645 ( -12.472 -7.162 -0.277) 14.385 14.038 ( 8.490 0.437 -0.389) 8.510======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( 1.516 4.229 21.450) 21.916 2.231 ( 12.462 13.017 0.780) 18.037 2.364 ( 7.970 14.683 -0.872) 16.729 2.678 ( 5.843 -2.297 -15.722) 16.929 3.354 ( 7.616 13.208 -0.430) 15.252 3.832 ( 1.615 20.217 -0.368) 20.285 5.305 ( 3.041 2.018 2.088) 4.204 5.609 ( -6.874 -0.192 -6.394) 9.390 6.241 ( 5.888 5.472 3.648) 8.827 6.424 ( -0.544 3.775 -3.338) 5.069 6.877 ( -3.916 -1.443 2.881) 5.071 7.141 ( 2.197 3.610 -0.835) 4.308 8.193 ( -3.321 -5.118 0.063) 6.102 8.634 ( 5.761 5.526 3.045) 8.544 9.361 ( -7.096 -12.162 -0.236) 14.083 10.620 ( 6.815 2.658 -0.585) 7.338 13.339 ( -12.119 -10.116 -0.152) 15.787 14.205 ( 7.127 5.661 -0.262) 9.105======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.031 ( 0.828 -1.324 17.964) 18.032 2.398 ( -0.360 5.662 -6.319) 8.492 2.722 ( 11.423 20.244 -0.166) 23.245 2.781 ( 9.186 4.288 -12.122) 15.802 3.611 ( 6.760 12.134 0.354) 13.895 4.053 ( 4.142 13.169 2.746) 14.076 5.377 ( 2.774 -1.879 2.905) 4.434 5.487 ( -4.229 0.559 -5.804) 7.203 6.345 ( 0.173 -0.450 1.117) 1.217 6.483 ( 3.096 7.869 0.045) 8.456 6.810 ( -0.872 -4.155 1.873) 4.640 7.197 ( 2.203 0.678 -1.328) 2.660 8.031 ( -7.190 -7.378 -0.353) 10.308 8.795 ( 6.199 2.680 5.060) 8.439 9.125 ( -7.522 -8.049 -3.415) 11.534 10.769 ( 4.296 7.045 -0.406) 8.262 13.043 ( -7.823 -13.513 -0.122) 15.615 14.389 ( 5.362 9.228 -0.150) 10.674======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.992 ( -3.064 -7.907 6.207) 10.509 2.442 ( 0.409 7.099 -2.072) 7.407 2.952 ( 3.693 12.264 -10.061) 16.288 3.104 ( 6.751 22.838 -0.089) 23.815 3.805 ( 0.479 12.816 0.398) 12.831 4.253 ( 7.846 3.768 5.062) 10.069 5.332 ( -1.469 -5.220 0.183) 5.426 5.484 ( 3.269 -2.403 -0.699) 4.117 6.291 ( -0.757 -6.795 0.574) 6.861 6.639 ( 4.587 7.242 0.726) 8.604 6.775 ( -0.884 -0.769 0.136) 1.180 7.228 ( 2.567 -1.958 -1.754) 3.674 7.822 ( -6.650 -9.093 0.964) 11.307 8.891 ( -0.249 -7.235 6.022) 9.416 8.961 ( -0.929 3.286 -6.268) 7.138 10.892 ( -2.084 13.541 -0.200) 13.702 12.810 ( -0.773 -17.590 -0.126) 17.607 14.563 ( 2.936 10.553 -0.121) 10.954======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( -3.738 -6.969 -1.504) 8.049 2.521 ( -0.085 6.941 1.956) 7.212 3.087 ( -1.538 16.456 -10.490) 19.576 3.389 ( -1.868 24.482 0.089) 24.553 3.877 ( -6.230 12.180 -0.844) 13.707 4.415 ( 8.221 -3.685 7.180) 11.520 5.283 ( 1.992 -5.560 2.592) 6.450 5.498 ( 4.332 -8.020 -0.692) 9.142 6.220 ( 4.151 -12.576 0.970) 13.279 6.755 ( -3.852 4.711 -0.961) 6.161 6.764 ( 1.756 5.872 -0.327) 6.137 7.234 ( 1.848 -3.724 -2.306) 4.754 7.660 ( -0.391 -10.003 2.468) 10.310 8.762 ( -4.473 -4.044 -2.193) 6.416 9.038 ( 3.722 1.425 0.793) 4.064 10.964 ( -8.653 19.630 -0.063) 21.452 12.668 ( 6.657 -20.886 -0.144) 21.921 14.689 ( -0.449 9.836 -0.134) 9.847======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( -2.413 -3.016 -2.920) 4.842 2.578 ( -1.253 5.434 2.400) 6.071 3.170 ( -5.529 18.357 -11.454) 22.333 3.503 ( -12.400 21.747 0.168) 25.035 3.860 ( -7.293 10.542 -1.458) 12.902 4.475 ( 2.926 -9.105 8.609) 12.867 5.309 ( 5.983 -5.159 4.159) 8.927 5.474 ( 4.394 -10.713 -1.585) 11.687 6.203 ( 9.149 -14.213 0.974) 16.931 6.723 ( -6.974 7.964 -0.778) 10.614 6.800 ( -2.770 3.270 -1.251) 4.464 7.212 ( 1.742 -4.478 -1.772) 5.121 7.646 ( 7.862 -7.544 2.295) 11.135 8.660 ( -3.447 -1.543 -1.896) 4.226 9.105 ( 3.068 -0.031 0.287) 3.082 10.987 ( -12.417 21.564 -0.022) 24.884 12.622 ( 12.166 -20.816 -0.174) 24.111 14.735 ( -4.473 7.847 -0.148) 9.034======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( -0.000 13.839 0.899) 13.868 1.953 ( 0.000 3.688 24.404) 24.681 2.099 ( -0.000 10.444 -1.712) 10.584 2.609 ( -0.000 1.425 -14.530) 14.600 3.206 ( -0.000 11.702 -1.306) 11.774 3.828 ( -0.000 24.654 -2.965) 24.832 5.262 ( 0.000 3.937 1.573) 4.239 5.799 ( -0.000 -0.660 -6.171) 6.206 6.089 ( 0.000 7.224 3.911) 8.215 6.395 ( -0.000 0.027 -4.771) 4.771 7.059 ( -0.000 6.289 1.101) 6.385 7.091 ( 0.000 5.883 2.758) 6.498 8.189 ( 0.000 -0.106 3.145) 3.147 8.535 ( -0.000 2.473 -0.881) 2.625 9.496 ( 0.000 -13.911 0.866) 13.938 10.449 ( 0.000 -2.406 -0.007) 2.406 13.826 ( 0.000 -5.568 -0.020) 5.568 13.840 ( -0.000 1.863 -0.654) 1.975======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.010 ( -0.695 1.975 18.307) 18.427 2.138 ( 10.959 11.101 3.696) 16.031 2.311 ( 10.792 10.307 0.799) 14.945 2.557 ( 0.314 -3.448 -16.700) 17.055 3.346 ( 5.202 8.577 -0.921) 10.073 4.054 ( -1.318 22.907 -1.801) 23.015 5.324 ( 0.305 5.829 2.226) 6.247 5.715 ( -6.269 0.235 -5.823) 8.559 6.212 ( 4.297 5.584 3.106) 7.700 6.414 ( 3.032 1.366 -3.306) 4.689 7.020 ( -9.180 3.429 2.143) 10.031 7.169 ( 0.417 4.925 1.892) 5.293 8.167 ( -0.625 -5.178 -2.287) 5.695 8.603 ( 4.155 3.036 5.055) 7.214 9.336 ( -3.729 -10.809 -1.753) 11.568 10.482 ( 7.276 -3.037 0.141) 7.885 13.527 ( -16.858 -4.543 -0.189) 17.461 14.076 ( 12.592 3.601 -0.239) 13.099======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( -0.386 -3.760 16.913) 17.330 2.414 ( 2.984 5.723 -5.860) 8.718 2.558 ( 13.633 1.284 -7.175) 15.460 2.662 ( 15.530 13.549 0.209) 20.611 3.553 ( 9.708 6.780 -0.047) 11.841 4.218 ( -2.968 17.887 -1.398) 18.186 5.375 ( -0.949 2.985 2.016) 3.725 5.587 ( -7.152 1.446 -4.937) 8.810 6.329 ( 2.997 2.159 0.806) 3.780 6.505 ( 3.882 5.230 -0.728) 6.554 6.858 ( -9.383 -1.761 2.569) 9.886 7.207 ( -0.895 2.776 1.364) 3.220 8.049 ( -4.394 -7.580 -3.843) 9.567 8.733 ( 5.440 0.902 7.935) 9.663 9.156 ( -5.722 -6.277 -4.550) 9.636 10.641 ( 12.689 -0.472 0.025) 12.698 13.172 ( -17.348 -6.453 -0.117) 18.509 14.329 ( 10.512 6.632 -0.080) 12.430======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( -3.281 -8.967 7.424) 12.095 2.470 ( 2.498 5.485 -5.199) 7.960 2.870 ( 14.331 6.705 -0.453) 15.828 3.104 ( 16.511 17.310 -0.030) 23.922 3.803 ( 10.845 6.261 0.645) 12.539 4.301 ( -3.538 10.897 -0.764) 11.482 5.339 ( -3.788 -1.933 -0.505) 4.283 5.489 ( -4.691 0.810 -1.296) 4.934 6.301 ( -6.309 -3.513 -0.577) 7.244 6.636 ( 4.078 6.907 0.975) 8.080 6.763 ( 1.230 -1.640 1.598) 2.599 7.205 ( -1.323 0.359 0.771) 1.573 7.853 ( -7.379 -8.951 -2.628) 11.895 8.820 ( 2.962 -4.657 8.096) 9.798 9.016 ( -4.159 0.914 -6.410) 7.696 10.891 ( 12.886 4.987 -0.035) 13.817 12.810 ( -14.830 -9.500 -0.064) 17.612 14.562 ( 7.731 7.780 -0.018) 10.968======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( -3.531 -7.420 1.082) 8.288 2.565 ( 2.327 5.236 -0.472) 5.749 3.156 ( 8.505 11.183 -2.125) 14.210 3.539 ( 11.287 19.610 -0.002) 22.627 4.026 ( 5.156 7.782 0.390) 9.344 4.319 ( -0.975 1.587 0.951) 2.091 5.243 ( -2.873 -3.670 -0.198) 4.665 5.407 ( -2.591 -4.840 0.067) 5.490 6.106 ( -5.888 -9.863 -0.033) 11.487 6.779 ( 3.955 6.443 0.606) 7.584 6.833 ( 2.978 4.785 0.107) 5.637 7.180 ( -0.536 -2.132 -0.118) 2.202 7.618 ( -7.058 -10.646 -0.583) 12.786 8.771 ( -2.199 -5.591 1.377) 6.164 9.016 ( 1.188 3.148 -1.191) 3.569 11.164 ( 7.577 13.103 -0.025) 15.136 12.480 ( -8.620 -14.964 -0.044) 17.270 14.742 ( 4.168 7.181 -0.022) 8.303======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( -1.876 -3.314 -1.067) 3.955 2.635 ( 0.412 3.462 0.789) 3.575 3.370 ( 1.396 15.924 -5.174) 16.802 3.842 ( -0.289 19.237 0.321) 19.242 4.086 ( -6.987 7.981 -1.669) 10.738 4.335 ( 4.732 -7.406 4.985) 10.104 5.191 ( 1.944 -4.403 1.636) 5.084 5.313 ( 0.630 -9.266 -0.551) 9.304 5.957 ( 1.964 -11.434 0.166) 11.602 6.883 ( -0.284 6.217 -0.829) 6.279 6.919 ( -2.581 9.883 0.580) 10.231 7.143 ( -0.223 -4.151 -1.404) 4.388 7.446 ( 2.478 -11.736 1.184) 12.053 8.688 ( -2.378 -2.513 -0.547) 3.503 9.067 ( 1.899 1.191 0.060) 2.242 11.378 ( -4.509 21.470 0.001) 21.939 12.244 ( 3.997 -21.468 -0.082) 21.837 14.842 ( -0.082 5.315 -0.047) 5.316======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( 0.000 -3.211 24.245) 24.456 2.107 ( -0.000 7.359 -0.461) 7.374 2.300 ( -0.000 10.201 -0.571) 10.217 2.477 ( -0.000 -3.136 -17.365) 17.646 3.362 ( -0.000 5.011 -0.657) 5.054 4.288 ( -0.000 21.259 -2.365) 21.390 5.401 ( -0.000 7.621 1.798) 7.831 5.763 ( -0.000 0.406 -4.782) 4.799 6.235 ( 0.000 4.642 2.118) 5.102 6.379 ( -0.000 1.180 -1.907) 2.242 7.186 ( -0.000 5.959 -0.055) 5.959 7.208 ( 0.000 3.828 4.501) 5.909 8.111 ( -0.000 -5.461 -4.698) 7.204 8.592 ( 0.000 0.145 7.554) 7.555 9.269 ( -0.000 -7.502 -3.335) 8.210 10.362 ( 0.000 -6.097 0.443) 6.113 13.720 ( 0.000 -4.809 -0.015) 4.809 13.926 ( -0.000 6.385 -0.227) 6.390======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( -1.955 -7.334 15.443) 17.207 2.312 ( 13.214 2.714 3.869) 14.033 2.414 ( 0.462 2.054 -12.785) 12.957 2.518 ( 12.417 9.245 -0.191) 15.482 3.455 ( 6.202 3.119 0.173) 6.944 4.448 ( -2.987 17.121 -3.240) 17.679 5.456 ( -2.244 5.296 0.174) 5.754 5.711 ( -5.471 2.109 -2.980) 6.578 6.296 ( 2.961 1.762 -0.419) 3.471 6.451 ( 5.217 3.110 0.951) 6.148 7.092 ( -13.476 2.618 1.662) 13.828 7.264 ( -0.880 3.137 2.951) 4.395 8.023 ( -2.166 -5.892 -6.078) 8.738 8.657 ( 5.135 -2.081 9.267) 10.797 9.174 ( -3.212 -3.147 -4.724) 6.522 10.393 ( 10.450 -5.436 0.305) 11.783 13.454 ( -18.682 -2.825 -0.032) 18.894 14.171 ( 13.830 5.530 0.014) 14.895======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( -2.625 -10.128 8.387) 13.409 2.436 ( 4.456 3.159 -8.733) 10.300 2.649 ( 16.709 4.738 7.444) 18.896 2.907 ( 20.359 10.150 -0.002) 22.749 3.634 ( 11.294 1.624 0.799) 11.438 4.507 ( -5.868 11.971 -4.184) 13.973 5.418 ( -5.388 1.446 -2.604) 6.157 5.619 ( -7.415 2.585 -0.128) 7.854 6.356 ( 0.697 1.271 -1.781) 2.296 6.594 ( 6.972 2.428 2.200) 7.703 6.842 ( -13.711 -0.740 1.707) 13.837 7.262 ( -2.744 1.366 2.606) 4.023 7.882 ( -5.674 -5.797 -5.139) 9.602 8.736 ( 4.144 -4.727 8.204) 10.336 9.084 ( -4.043 1.392 -4.890) 6.496 10.611 ( 18.425 -2.059 0.106) 18.540 13.076 ( -21.072 -3.245 0.021) 21.320 14.455 ( 12.047 5.496 0.095) 13.241======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( -3.090 -7.452 3.455) 8.776 2.542 ( 4.849 3.585 -3.160) 6.808 3.016 ( 16.779 5.885 6.839) 19.051 3.390 ( 22.155 10.678 -0.103) 24.594 3.869 ( 13.693 0.342 1.161) 13.746 4.464 ( -8.049 6.288 -4.888) 11.323 5.307 ( -6.586 -0.161 -3.176) 7.313 5.491 ( -8.880 -0.653 1.013) 8.962 6.229 ( -13.631 -2.629 -1.023) 13.920 6.743 ( 8.279 -0.092 1.804) 8.473 6.761 ( 3.027 3.214 0.583) 4.454 7.216 ( -3.719 -0.306 2.000) 4.234 7.683 ( -9.424 -5.224 -3.227) 11.248 8.737 ( 0.421 -5.487 3.863) 6.723 9.051 ( -1.618 3.394 -2.160) 4.336 10.964 ( 21.341 2.344 0.032) 21.469 12.667 ( -21.399 -4.704 0.068) 21.910 14.688 ( 8.782 4.513 0.088) 9.874======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( 0.000 -13.720 15.371) 20.603 2.209 ( -0.000 3.663 -0.562) 3.706 2.414 ( -0.000 3.668 -6.535) 7.493 2.477 ( -0.000 7.219 -0.152) 7.220 3.427 ( 0.000 1.928 1.140) 2.240 4.619 ( -0.000 13.206 -4.630) 13.994 5.527 ( -0.000 4.278 -2.339) 4.876 5.780 ( -0.000 2.677 -0.566) 2.737 6.271 ( -0.000 0.151 -1.767) 1.774 6.441 ( 0.000 3.362 2.613) 4.258 7.288 ( 0.000 1.355 5.140) 5.315 7.289 ( -0.000 4.326 -0.776) 4.395 7.975 ( -0.000 -3.995 -6.947) 8.014 8.596 ( 0.000 -4.199 9.761) 10.626 9.174 ( -0.000 -0.203 -4.419) 4.424 10.233 ( 0.000 -6.359 0.280) 6.366 13.639 ( 0.000 -3.238 -0.008) 3.238 14.061 ( -0.000 6.416 0.199) 6.419======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( -1.293 -11.660 9.648) 15.189 2.325 ( 7.836 1.679 -4.098) 9.001 2.500 ( 7.248 5.020 4.493) 9.896 2.669 ( 14.272 5.424 -0.051) 15.268 3.497 ( 5.796 0.976 1.951) 6.193 4.682 ( -3.540 8.320 -6.128) 10.923 5.515 ( -4.048 2.466 -4.609) 6.612 5.761 ( -5.108 2.385 1.398) 5.808 6.305 ( 3.988 0.644 -2.326) 4.662 6.516 ( 4.290 1.409 3.283) 5.583 7.138 ( -16.184 1.097 1.250) 16.269 7.321 ( -1.626 0.916 2.752) 3.325 7.902 ( -2.888 -2.238 -6.064) 7.079 8.629 ( 4.796 -4.719 8.467) 10.815 9.148 ( -2.462 1.905 -3.751) 4.875 10.292 ( 12.916 -4.114 0.096) 13.556 13.411 ( -18.611 -1.458 0.068) 18.669 14.274 ( 13.393 4.040 0.259) 13.992======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -1.403 -7.590 5.702) 9.596 2.457 ( 6.879 2.377 -4.840) 8.741 2.787 ( 16.494 4.127 10.636) 20.055 3.051 ( 23.306 3.859 -0.078) 23.624 3.651 ( 10.666 -0.115 1.995) 10.851 4.631 ( -6.760 3.239 -7.475) 10.586 5.426 ( -6.790 2.027 -5.229) 8.807 5.658 ( -8.933 0.240 1.967) 9.151 6.371 ( 0.084 1.703 -3.058) 3.501 6.612 ( 5.473 -1.976 3.973) 7.046 6.846 ( -13.522 0.057 0.833) 13.548 7.285 ( -3.505 -0.373 2.451) 4.293 7.793 ( -6.798 -0.167 -4.239) 8.013 8.670 ( 2.728 -4.732 5.342) 7.640 9.117 ( -2.693 2.914 -2.159) 4.517 10.577 ( 21.843 -1.068 0.015) 21.869 13.036 ( -22.724 -0.905 0.144) 22.743 14.535 ( 12.447 2.172 0.221) 12.637======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( 0.000 -11.259 9.755) 14.897 2.258 ( -0.000 1.601 -0.197) 1.613 2.502 ( 0.000 5.712 2.282) 6.151 2.576 ( -0.000 2.565 -0.073) 2.566 3.466 ( 0.000 0.990 3.391) 3.533 4.752 ( -0.000 3.377 -7.824) 8.522 5.563 ( -0.000 2.398 -5.665) 6.151 5.830 ( 0.000 0.837 2.210) 2.363 6.264 ( -0.000 0.579 -2.211) 2.285 6.497 ( 0.000 0.203 3.296) 3.302 7.316 ( 0.000 -0.969 4.591) 4.692 7.346 ( -0.000 1.824 -1.094) 2.127 7.898 ( -0.000 -0.129 -6.177) 6.179 8.558 ( 0.000 -3.887 8.711) 9.539 9.181 ( -0.000 2.108 -3.069) 3.723 10.137 ( 0.000 -2.775 0.003) 2.775 13.594 ( 0.000 -1.131 -0.001) 1.131 14.159 ( -0.000 2.678 0.473) 2.719======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 0.444 -7.738 7.346) 10.679 2.338 ( 6.880 0.979 -1.981) 7.226 2.641 ( 8.099 6.106 7.331) 12.515 2.724 ( 14.954 0.029 -0.048) 14.954 3.527 ( 4.884 0.563 3.970) 6.319 4.708 ( -3.537 -1.457 -9.182) 9.947 5.533 ( -4.183 2.544 -5.868) 7.642 5.787 ( -5.331 -1.156 2.369) 5.947 6.310 ( 4.582 1.328 -2.736) 5.499 6.528 ( 3.273 -2.166 3.699) 5.393 7.148 ( -16.980 -0.704 1.169) 17.035 7.335 ( -2.036 -0.579 2.184) 3.042 7.872 ( -2.388 1.857 -5.169) 5.989 8.587 ( 3.538 -3.256 6.965) 8.463 9.178 ( -1.744 2.258 -2.170) 3.584 10.248 ( 13.932 -0.092 -0.054) 13.932 13.398 ( -18.325 0.062 0.117) 18.326 14.319 ( 12.994 0.101 0.399) 13.000======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.698 ( 0.000 -6.897 6.918) 9.769 2.272 ( 0.000 -0.267 0.027) 0.268 2.576 ( 0.000 -2.491 -0.064) 2.492 2.665 ( 0.000 8.521 5.400) 10.088 3.505 ( 0.000 0.482 5.464) 5.485 4.675 ( -0.000 -5.859 -10.279) 11.831 5.578 ( -0.000 1.958 -5.442) 5.783 5.821 ( 0.000 -2.695 2.052) 3.387 6.275 ( -0.000 1.787 -2.374) 2.971 6.479 ( 0.000 -3.715 3.351) 5.003 7.312 ( 0.000 -1.680 4.724) 5.014 7.348 ( -0.000 -1.117 -1.063) 1.542 7.889 ( -0.000 2.064 -6.156) 6.492 8.550 ( 0.000 -1.374 7.860) 7.979 9.206 ( -0.000 1.732 -2.231) 2.825 10.134 ( -0.000 2.580 -0.039) 2.580 13.595 ( -0.000 1.162 0.004) 1.162 14.165 ( 0.000 -2.385 0.571) 2.453======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( 0.000 -0.000 17.384) 17.384 0.630 ( 0.000 -0.000 17.384) 17.384 1.279 ( -0.000 0.000 -5.488) 5.488 1.279 ( -0.000 0.000 -5.488) 5.488 1.617 ( 0.000 -0.000 46.919) 46.919 3.644 ( -0.000 0.000 -20.811) 20.811 5.709 ( 0.000 -0.000 4.469) 4.469 5.709 ( 0.000 -0.000 4.469) 4.469 6.131 ( 0.000 -0.000 0.292) 0.292 6.336 ( -0.000 0.000 -8.180) 8.180 6.336 ( -0.000 0.000 -8.180) 8.180 6.796 ( 0.000 -0.000 3.993) 3.993 6.796 ( 0.000 -0.000 3.993) 3.993 8.439 ( -0.000 0.000 -1.011) 1.011 10.419 ( 0.000 -0.000 0.642) 0.642 10.677 ( 0.000 -0.000 0.303) 0.303 14.124 ( -0.000 0.000 -0.003) 0.003 14.124 ( -0.000 0.000 -0.003) 0.003======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.940 ( 15.871 9.163 12.416) 22.137 1.026 ( 24.422 14.100 10.604) 30.128 1.312 ( 6.053 3.495 -6.486) 9.535 1.543 ( 17.897 10.333 2.112) 20.774 1.812 ( 9.278 5.357 35.748) 37.319 3.516 ( -3.826 -2.209 -21.743) 22.187 5.683 ( -7.516 -4.339 -1.199) 8.761 5.741 ( 1.831 1.057 4.653) 5.110 5.830 ( -8.302 -4.793 -1.413) 9.690 6.316 ( 0.685 0.396 -7.443) 7.485 6.633 ( 11.389 6.575 -4.234) 13.815 6.829 ( 1.524 0.880 3.214) 3.664 7.124 ( 25.051 14.463 3.339) 29.119 8.481 ( 2.564 1.480 -5.349) 6.114 10.426 ( 0.233 0.134 0.273) 0.383 10.485 ( -13.826 -7.983 5.935) 17.033 14.074 ( -4.134 -2.387 0.059) 4.774 14.101 ( -1.990 -1.149 -0.013) 2.298======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( 16.070 9.278 6.795) 19.761 1.458 ( 8.447 4.877 20.488) 22.691 1.501 ( 11.024 6.365 -5.130) 13.724 2.074 ( 27.115 15.655 5.560) 31.800 2.277 ( 22.815 13.172 12.172) 29.020 3.401 ( -0.870 -0.502 -22.045) 22.068 5.462 ( -7.607 -4.392 -2.899) 9.250 5.719 ( -3.624 -2.093 -0.453) 4.210 5.823 ( 4.325 2.497 4.667) 6.835 6.319 ( 0.980 0.566 -6.201) 6.303 6.861 ( 9.674 5.585 -3.577) 11.730 6.886 ( 2.829 1.633 2.218) 3.948 7.727 ( 23.677 13.670 5.657) 27.919 8.478 ( -1.523 -0.879 -7.842) 8.037 10.138 ( -16.546 -9.553 8.483) 20.904 10.458 ( 1.877 1.084 -1.377) 2.568 13.955 ( -5.572 -3.217 -0.003) 6.434 14.035 ( -3.647 -2.106 -0.033) 4.211======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 5.061 2.922 24.518) 25.205 1.703 ( 14.011 8.089 0.301) 16.181 1.758 ( 11.205 6.469 -0.460) 12.946 2.665 ( 20.659 11.927 -5.771) 24.543 2.837 ( 21.896 12.641 4.089) 25.611 3.371 ( 4.044 2.335 -12.499) 13.343 5.355 ( -0.712 -0.411 -3.927) 4.012 5.649 ( -2.487 -1.436 1.268) 3.139 5.966 ( 6.836 3.947 4.275) 8.976 6.319 ( 0.185 0.107 -4.468) 4.473 6.972 ( 4.101 2.368 1.047) 4.850 7.059 ( 8.165 4.714 -3.566) 10.080 8.171 ( 9.160 5.289 10.144) 14.655 8.412 ( 1.900 1.097 -9.984) 10.222 9.776 ( -16.300 -9.411 6.558) 19.931 10.495 ( 1.223 0.706 -1.892) 2.360 13.848 ( -3.077 -1.777 -0.186) 3.558 13.938 ( -4.655 -2.688 -0.048) 5.376======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 5.814 3.357 22.446) 23.429 1.962 ( 8.585 4.957 -2.836) 10.311 2.028 ( 11.897 6.869 2.187) 13.911 2.893 ( 1.301 0.751 -23.137) 23.186 3.173 ( 9.451 5.457 0.326) 10.918 3.674 ( 20.488 11.829 6.676) 24.581 5.400 ( 5.085 2.936 -5.890) 8.317 5.610 ( -1.321 -0.763 3.877) 4.166 6.152 ( 8.045 4.645 3.337) 9.871 6.302 ( -0.750 -0.433 -2.763) 2.896 7.076 ( 4.704 2.716 0.213) 5.436 7.217 ( 6.334 3.657 -3.639) 8.170 8.126 ( -7.827 -4.519 5.345) 10.500 8.616 ( 11.015 6.360 -4.400) 13.459 9.431 ( -14.600 -8.429 4.509) 17.451 10.481 ( -2.375 -1.371 -1.476) 3.114 13.826 ( -4.837 -2.793 -0.046) 5.586 13.833 ( 2.037 1.176 -0.355) 2.379======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.025 ( 4.244 2.450 18.610) 19.245 2.113 ( 5.227 3.018 -0.968) 6.113 2.286 ( 9.806 5.661 0.504) 11.334 2.723 ( -7.657 -4.421 -24.766) 26.297 3.356 ( 6.153 3.553 -0.319) 7.112 4.155 ( 17.748 10.247 8.096) 22.034 5.487 ( 2.060 1.189 -5.087) 5.615 5.643 ( 4.101 2.368 4.618) 6.615 6.272 ( -1.179 -0.681 0.191) 1.375 6.340 ( 7.171 4.140 0.186) 8.283 7.184 ( 4.417 2.550 0.146) 5.103 7.327 ( 3.963 2.288 -4.140) 6.171 7.963 ( -6.824 -3.940 5.868) 9.825 8.798 ( 5.287 3.053 -7.661) 9.796 9.152 ( -9.623 -5.556 5.602) 12.444 10.379 ( -5.761 -3.326 -0.790) 6.699 13.721 ( -4.176 -2.411 -0.031) 4.823 13.929 ( 5.805 3.352 -0.469) 6.719======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( -3.974 -2.294 7.554) 8.839 2.206 ( 3.072 1.773 -0.229) 3.554 2.475 ( 6.370 3.678 0.133) 7.357 2.515 ( -2.682 -1.548 -17.257) 17.532 3.458 ( 3.210 1.853 -2.855) 4.679 4.506 ( 10.452 6.035 8.882) 14.986 5.494 ( 0.109 0.063 1.357) 1.363 5.772 ( 4.972 2.870 0.472) 5.760 6.249 ( -0.751 -0.434 0.924) 1.267 6.474 ( 4.260 2.460 -1.384) 5.110 7.276 ( 3.365 1.943 0.692) 3.946 7.372 ( 0.931 0.537 -4.698) 4.819 7.863 ( -3.065 -1.769 6.236) 7.170 8.765 ( -4.657 -2.689 -10.515) 11.811 9.085 ( 1.412 0.815 6.358) 6.564 10.237 ( -5.783 -3.339 -0.252) 6.683 13.639 ( -2.809 -1.622 -0.013) 3.243 14.068 ( 5.663 3.269 -0.533) 6.560======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -9.292 -5.365 -7.404) 13.036 2.257 ( 1.424 0.822 0.050) 1.645 2.532 ( 4.971 2.870 -5.297) 7.810 2.575 ( 2.232 1.288 0.070) 2.578 3.499 ( 1.426 0.823 -4.732) 5.010 4.680 ( 2.415 1.394 9.883) 10.269 5.520 ( 1.472 0.850 4.832) 5.122 5.844 ( 1.168 0.674 -1.361) 1.916 6.247 ( 0.345 0.199 1.818) 1.861 6.522 ( 0.376 0.217 -2.917) 2.949 7.337 ( 1.540 0.889 1.161) 2.124 7.354 ( -1.010 -0.583 -4.720) 4.862 7.849 ( 0.135 0.078 5.823) 5.825 8.630 ( -3.866 -2.232 -8.926) 9.979 9.153 ( 2.435 1.406 3.656) 4.613 10.137 ( -2.462 -1.421 0.021) 2.843 13.594 ( -0.980 -0.566 -0.003) 1.131 14.163 ( 2.342 1.352 -0.564) 2.763======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 0.000 13.570 12.048) 18.146 1.163 ( 0.000 27.824 12.405) 30.464 1.386 ( -0.000 10.589 -4.829) 11.638 1.473 ( -0.000 22.985 -5.996) 23.754 1.902 ( 0.000 5.771 40.459) 40.869 3.452 ( -0.000 -4.705 -22.972) 23.449 5.715 ( 0.000 -11.142 -0.436) 11.151 5.753 ( 0.000 1.914 4.526) 4.914 5.819 ( -0.000 -3.954 -2.808) 4.849 6.328 ( -0.000 2.597 -7.999) 8.409 6.593 ( -0.000 11.280 -2.850) 11.634 6.818 ( 0.000 0.706 3.667) 3.734 7.122 ( -0.000 26.504 3.550) 26.741 8.475 ( -0.000 3.326 -4.724) 5.778 10.424 ( 0.000 0.244 0.100) 0.264 10.496 ( 0.000 -15.929 5.266) 16.777 14.080 ( 0.000 -4.142 -0.178) 4.145 14.101 ( 0.000 -2.327 -0.002) 2.327======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 16.675 13.435 7.531) 22.700 1.453 ( 2.684 12.615 9.405) 15.963 1.508 ( 3.556 17.053 1.281) 17.467 1.916 ( 17.741 24.817 -2.737) 30.629 2.169 ( 9.540 14.923 27.305) 32.546 3.344 ( -0.575 -1.114 -23.755) 23.788 5.504 ( -5.803 -10.684 -1.260) 12.224 5.758 ( -3.433 -1.128 -1.474) 3.902 5.833 ( 1.816 4.987 3.187) 6.190 6.321 ( -0.940 3.014 -6.651) 7.363 6.764 ( 7.347 7.686 -2.374) 10.895 6.852 ( 1.887 0.565 2.890) 3.498 7.566 ( 16.250 23.582 4.755) 29.031 8.484 ( -0.909 1.434 -6.583) 6.798 10.258 ( -9.124 -16.150 7.079) 19.854 10.439 ( 1.222 1.017 -0.841) 1.798 13.974 ( -4.701 -7.188 0.052) 8.589 14.078 ( -0.851 -1.288 -0.238) 1.562======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 11.277 11.911 5.379) 17.262 1.670 ( 7.813 8.375 15.259) 19.080 1.736 ( 4.022 14.713 1.666) 15.343 2.458 ( 18.596 17.793 -5.069) 26.232 2.643 ( 17.657 17.514 12.250) 27.723 3.306 ( 2.242 3.778 -18.879) 19.383 5.352 ( -2.127 -4.322 -1.962) 5.201 5.672 ( -3.258 -2.290 -0.954) 4.095 5.952 ( 3.655 7.025 4.282) 9.003 6.320 ( -0.558 2.197 -4.704) 5.222 6.904 ( 3.847 -0.234 1.944) 4.317 6.961 ( 7.560 5.635 -3.205) 9.959 8.064 ( 15.068 14.563 7.115) 22.130 8.428 ( -3.597 0.257 -7.283) 8.127 9.930 ( -12.586 -14.415 5.988) 20.051 10.483 ( 1.868 2.515 -1.639) 3.536 13.802 ( -4.170 -10.685 0.117) 11.470 14.047 ( -2.879 2.279 -0.262) 3.681======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( 6.082 4.758 19.490) 20.964 1.948 ( 4.600 15.085 -1.617) 15.854 1.980 ( 8.268 13.395 4.111) 16.270 2.781 ( 7.403 3.832 -17.181) 19.096 3.082 ( 11.577 12.004 0.582) 16.687 3.489 ( 14.715 12.307 0.832) 19.201 5.339 ( 3.008 1.342 -3.638) 4.907 5.604 ( -0.994 -3.905 1.232) 4.213 6.118 ( 5.166 8.354 3.561) 10.447 6.316 ( -0.971 1.399 -2.524) 3.044 6.978 ( 5.455 -2.115 0.718) 5.894 7.125 ( 6.902 3.590 -3.526) 8.541 8.227 ( -5.958 -3.152 5.296) 8.572 8.505 ( 9.776 10.357 -4.200) 14.848 9.582 ( -13.123 -12.397 3.963) 18.483 10.524 ( -0.869 3.537 -1.605) 3.981 13.639 ( 0.055 -14.101 0.004) 14.101 14.035 ( -3.888 7.693 -0.212) 8.622======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( 4.780 3.249 19.824) 20.649 2.124 ( 1.499 10.821 -1.345) 11.007 2.265 ( 6.402 15.317 0.959) 16.629 2.739 ( -4.127 -1.187 -24.375) 24.750 3.328 ( 5.124 9.449 0.753) 10.776 3.946 ( 19.609 10.752 6.803) 23.375 5.429 ( 4.389 2.992 -6.246) 8.200 5.579 ( 3.130 -4.508 4.927) 7.376 6.296 ( 1.655 5.050 -3.439) 6.330 6.310 ( 1.935 4.808 4.677) 6.981 7.050 ( 7.034 -5.468 -0.152) 8.910 7.250 ( 5.600 1.641 -3.806) 6.967 8.066 ( -7.961 -4.392 4.824) 10.293 8.735 ( 6.586 7.395 -4.423) 10.845 9.267 ( -10.879 -9.881 3.435) 15.093 10.498 ( -6.311 4.269 -1.024) 7.687 13.526 ( 4.629 -16.809 -0.101) 17.435 14.076 ( -3.076 12.836 -0.223) 13.201======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.126 ( -1.290 -2.988 11.832) 12.272 2.217 ( 0.709 6.658 0.414) 6.709 2.497 ( 2.302 14.561 -2.579) 14.965 2.588 ( -6.097 6.944 -18.274) 20.478 3.462 ( 0.964 7.359 -0.744) 7.459 4.358 ( 15.480 5.710 7.583) 18.159 5.465 ( 1.579 -2.055 -0.979) 2.771 5.670 ( 7.630 -1.194 1.820) 7.934 6.288 ( -1.840 2.209 0.466) 2.912 6.460 ( 2.956 7.277 -0.118) 7.855 7.108 ( 8.550 -9.788 -0.356) 13.001 7.326 ( 3.384 0.008 -4.115) 5.328 7.920 ( -5.024 -4.091 5.918) 8.775 8.817 ( -2.994 3.409 -10.067) 11.042 9.080 ( -1.338 -4.854 6.843) 8.496 10.399 ( -10.115 6.061 -0.441) 11.800 13.455 ( 6.923 -17.558 -0.125) 18.874 14.174 ( -1.997 14.759 -0.296) 14.896======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( -8.094 -7.389 -5.151) 12.110 2.294 ( -0.384 6.125 3.165) 6.905 2.559 ( -1.773 11.250 -9.621) 14.909 2.668 ( -2.490 15.067 -0.011) 15.271 3.516 ( -1.261 5.556 -2.800) 6.348 4.622 ( 8.400 0.841 8.472) 11.960 5.480 ( 3.030 -2.918 3.929) 5.756 5.771 ( 5.384 -2.738 -0.952) 6.115 6.288 ( -1.701 3.435 1.863) 4.262 6.540 ( -0.425 4.763 -2.626) 5.456 7.145 ( 9.129 -13.425 -0.483) 16.242 7.347 ( 1.126 -1.201 -3.501) 3.869 7.854 ( -0.364 -2.946 5.772) 6.491 8.699 ( -6.870 0.663 -8.701) 11.106 9.115 ( 3.679 -0.542 4.256) 5.652 10.293 ( -10.097 9.066 -0.079) 13.570 13.412 ( 8.032 -16.811 -0.115) 18.632 14.276 ( -3.131 13.584 -0.365) 13.945======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.203 ( 0.000 18.045 6.491) 19.177 1.615 ( -0.000 13.737 -3.866) 14.271 1.640 ( 0.000 11.934 18.147) 21.720 1.997 ( -0.000 27.539 -3.606) 27.774 2.361 ( 0.000 22.924 22.034) 31.797 3.282 ( -0.000 1.649 -23.706) 23.764 5.430 ( 0.000 -11.888 -0.607) 11.904 5.819 ( -0.000 1.060 -5.158) 5.265 5.836 ( 0.000 4.043 4.281) 5.888 6.346 ( -0.000 3.064 -7.338) 7.952 6.779 ( -0.000 9.023 0.103) 9.023 6.867 ( 0.000 2.491 3.124) 3.995 7.685 ( -0.000 24.319 6.261) 25.112 8.491 ( -0.000 1.440 -6.956) 7.103 10.174 ( 0.000 -18.669 6.370) 19.726 10.435 ( -0.000 1.066 -0.635) 1.241 13.970 ( 0.000 -6.105 -0.579) 6.133 14.034 ( 0.000 -4.222 -0.002) 4.222======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( 12.469 16.541 4.235) 21.143 1.724 ( 0.514 9.853 10.738) 14.582 1.840 ( 3.454 13.338 5.955) 15.010 2.350 ( 11.443 18.445 -3.600) 22.002 2.696 ( 5.511 23.284 11.733) 26.650 3.279 ( 1.432 8.617 -19.397) 21.273 5.319 ( -0.770 -6.597 -0.082) 6.642 5.733 ( -5.803 -0.288 -3.835) 6.961 5.958 ( 4.674 5.756 3.226) 8.086 6.348 ( -0.747 2.883 -5.793) 6.514 6.888 ( 0.003 2.795 2.470) 3.730 6.915 ( 3.693 6.829 -0.248) 7.767 8.018 ( 9.960 16.635 7.598) 20.824 8.466 ( -1.958 0.880 -7.255) 7.566 9.947 ( -6.318 -17.736 4.904) 19.455 10.467 ( 2.190 2.126 -0.858) 3.170 13.808 ( -7.703 -8.821 -0.187) 11.712 14.049 ( 3.266 -1.266 -0.334) 3.518======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 4.193 9.014 15.071) 18.055 1.946 ( 12.236 13.405 5.732) 19.034 2.056 ( 3.313 16.082 -0.981) 16.449 2.636 ( 8.792 4.090 -10.435) 14.245 3.046 ( 9.012 16.958 1.946) 19.302 3.440 ( 6.811 17.061 -5.599) 19.205 5.294 ( 2.189 -0.668 0.054) 2.290 5.616 ( -4.825 -2.069 -3.311) 6.207 6.121 ( 5.406 7.309 3.834) 9.866 6.348 ( -1.123 2.786 -3.769) 4.820 6.905 ( 0.735 -0.709 1.945) 2.196 7.053 ( 4.782 4.900 -1.734) 7.063 8.269 ( 1.043 -0.626 5.720) 5.848 8.472 ( 4.201 9.459 -4.460) 11.269 9.649 ( -9.505 -15.533 2.742) 18.415 10.544 ( 2.996 4.117 -1.026) 5.194 13.566 ( -7.224 -12.207 -0.022) 14.185 14.108 ( 2.193 3.927 -0.268) 4.506======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 3.813 4.789 19.314) 20.261 2.227 ( 0.966 11.182 -2.176) 11.433 2.317 ( 8.645 19.221 0.326) 21.079 2.695 ( 2.274 0.100 -17.999) 18.142 3.346 ( 7.051 13.718 0.238) 15.426 3.785 ( 13.283 14.435 3.343) 19.899 5.371 ( 4.797 2.908 -1.492) 5.804 5.516 ( -1.951 -4.676 -0.719) 5.118 6.306 ( 5.775 7.979 3.258) 10.374 6.343 ( -1.548 2.380 -1.846) 3.387 6.908 ( 2.187 -4.701 0.543) 5.213 7.165 ( 4.712 2.130 -2.392) 5.697 8.161 ( -6.888 -5.371 2.284) 9.028 8.686 ( 7.146 8.245 -0.761) 10.937 9.341 ( -9.822 -12.724 1.252) 16.123 10.623 ( -0.547 6.788 -0.825) 6.860 13.337 ( -2.767 -15.449 -0.028) 15.695 14.203 ( 1.361 9.078 -0.163) 9.181======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( -1.086 -3.676 13.803) 14.326 2.289 ( -0.301 7.303 -3.460) 8.087 2.624 ( 2.701 19.294 -4.944) 20.100 2.709 ( 0.155 12.168 -11.354) 16.643 3.550 ( 1.303 12.230 0.433) 12.307 4.160 ( 15.295 7.128 5.522) 17.755 5.421 ( -0.335 -2.044 -3.304) 3.899 5.519 ( 7.326 -2.682 2.933) 8.335 6.336 ( -1.080 1.548 -0.000) 1.887 6.486 ( 4.413 8.160 1.486) 9.396 6.887 ( 3.440 -8.952 -0.855) 9.628 7.245 ( 4.185 -0.258 -2.894) 5.095 7.985 ( -6.776 -6.501 3.689) 10.089 8.846 ( 3.019 6.014 -4.901) 8.325 9.084 ( -6.108 -9.796 3.357) 12.022 10.645 ( -6.692 10.499 -0.452) 12.459 13.171 ( 3.131 -18.219 -0.077) 18.487 14.330 ( 0.556 12.442 -0.148) 12.456======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( -6.393 -8.469 -2.494) 10.900 2.380 ( 0.305 7.524 4.787) 8.923 2.727 ( -3.636 16.042 -11.660) 20.163 2.908 ( -1.474 22.596 -0.099) 22.644 3.641 ( -3.715 10.707 -0.774) 11.360 4.463 ( 12.572 0.894 6.599) 14.227 5.398 ( 2.395 -4.744 2.242) 5.768 5.620 ( 6.906 -4.381 -0.216) 8.181 6.342 ( 0.165 0.926 1.594) 1.851 6.608 ( -0.168 7.600 -1.363) 7.723 6.854 ( 5.894 -12.301 -1.167) 13.690 7.285 ( 2.718 -2.048 -3.171) 4.652 7.841 ( -2.622 -7.073 4.755) 8.917 8.802 ( -6.864 -0.266 -8.005) 10.548 9.043 ( 4.402 -1.895 5.125) 7.017 10.613 ( -11.032 14.862 -0.158) 18.509 13.076 ( 7.754 -19.862 -0.113) 21.322 14.456 ( -1.219 13.168 -0.185) 13.226======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( -0.000 17.058 3.438) 17.401 1.864 ( -0.000 12.595 -3.054) 12.960 1.914 ( 0.000 6.372 20.073) 21.060 2.426 ( -0.000 15.134 -5.119) 15.976 2.896 ( -0.000 19.217 4.518) 19.741 3.353 ( -0.000 18.472 -13.010) 22.593 5.266 ( 0.000 -4.180 0.876) 4.271 5.793 ( -0.000 -0.354 -6.169) 6.179 5.962 ( 0.000 6.247 4.037) 7.438 6.361 ( -0.000 1.901 -6.194) 6.480 6.953 ( 0.000 4.575 2.121) 5.042 6.957 ( -0.000 8.044 2.056) 8.303 8.102 ( 0.000 12.160 8.567) 14.875 8.472 ( -0.000 1.454 -7.674) 7.810 9.830 ( 0.000 -18.194 3.380) 18.506 10.458 ( -0.000 1.037 -0.159) 1.050 13.859 ( 0.000 -3.817 -0.756) 3.891 13.937 ( 0.000 -5.369 -0.002) 5.369======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 11.441 15.207 2.233) 19.161 1.960 ( 0.036 7.897 11.074) 13.601 2.108 ( 6.622 10.756 4.275) 13.335 2.541 ( 3.291 3.086 -7.961) 9.151 3.102 ( 4.122 15.179 -0.321) 15.732 3.565 ( 1.526 24.085 -5.241) 24.696 5.261 ( 1.315 0.515 1.942) 2.401 5.700 ( -6.517 -0.371 -5.547) 8.565 6.099 ( 5.490 6.418 3.619) 9.188 6.368 ( 0.641 2.030 -5.139) 5.562 6.958 ( -4.217 3.221 2.209) 5.748 7.058 ( 1.555 6.642 1.488) 6.982 8.236 ( 2.845 -0.064 4.438) 5.272 8.496 ( 1.972 6.955 -3.247) 7.925 9.616 ( -4.792 -16.564 1.271) 17.290 10.501 ( 4.121 0.971 0.014) 4.234 13.642 ( -12.371 -7.155 -0.265) 14.293 14.035 ( 8.495 0.449 -0.275) 8.511======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( 2.537 4.606 15.967) 16.811 2.232 ( 10.456 11.795 -1.059) 15.798 2.352 ( 7.445 14.693 -2.560) 16.669 2.573 ( 5.402 -2.344 -8.212) 10.105 3.350 ( 7.882 13.168 -0.353) 15.351 3.824 ( 3.157 20.583 -1.511) 20.878 5.326 ( 3.042 2.680 2.920) 4.996 5.562 ( -6.700 -0.816 -5.240) 8.545 6.271 ( 6.005 4.943 3.797) 8.655 6.393 ( -0.049 4.321 -4.115) 5.968 6.896 ( -4.155 -1.220 1.898) 4.728 7.140 ( 1.268 4.184 0.487) 4.399 8.189 ( -3.044 -6.760 -1.020) 7.484 8.657 ( 5.739 7.823 2.614) 10.048 9.357 ( -7.255 -13.691 -0.656) 15.509 10.617 ( 6.629 2.856 -0.100) 7.219 13.338 ( -12.076 -10.137 -0.107) 15.767 14.203 ( 7.154 5.695 -0.134) 9.145======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( -1.661 -5.132 13.010) 14.084 2.331 ( 1.278 6.100 -8.809) 10.791 2.712 ( 7.172 8.131 -4.338) 11.678 2.721 ( 11.625 20.209 -0.059) 23.314 3.613 ( 6.977 12.203 0.125) 14.058 4.068 ( 5.983 12.412 0.911) 13.809 5.405 ( 2.113 -3.318 3.807) 5.475 5.443 ( -3.089 2.044 -4.831) 6.087 6.352 ( -0.476 -1.137 0.429) 1.305 6.483 ( 4.257 8.291 0.005) 9.320 6.820 ( -1.657 -3.769 0.636) 4.166 7.190 ( 1.395 1.292 -0.434) 1.950 8.029 ( -5.925 -8.490 -0.137) 10.354 8.825 ( 4.990 5.465 1.975) 7.659 9.104 ( -7.267 -10.471 -1.413) 12.824 10.767 ( 4.230 7.186 -0.144) 8.339 13.042 ( -7.817 -13.527 -0.043) 15.624 14.388 ( 5.355 9.255 -0.053) 10.692======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.017 ( -5.647 -9.271 -0.656) 10.875 2.440 ( 2.569 7.090 1.794) 7.751 2.890 ( 1.424 14.300 -5.164) 15.270 3.104 ( 6.741 22.937 -0.001) 23.907 3.806 ( 0.231 12.716 -0.182) 12.719 4.286 ( 9.566 3.082 3.023) 10.495 5.335 ( -0.812 -4.914 0.442) 5.000 5.482 ( 3.490 -2.685 0.251) 4.410 6.296 ( -0.366 -7.039 0.609) 7.075 6.641 ( 4.311 7.174 -0.139) 8.371 6.773 ( -1.582 -0.333 -0.736) 1.776 7.214 ( 1.829 -1.423 -1.422) 2.719 7.834 ( -5.373 -10.076 1.953) 11.585 8.883 ( -6.444 -2.427 -7.028) 9.839 8.964 ( 4.472 -1.072 5.998) 7.558 10.891 ( -2.084 13.612 -0.091) 13.771 12.810 ( -0.793 -17.591 -0.034) 17.609 14.562 ( 2.907 10.576 -0.057) 10.968======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( -0.000 12.966 1.545) 13.057 2.083 ( -0.000 11.026 -2.060) 11.216 2.126 ( 0.000 5.111 15.812) 16.618 2.508 ( -0.000 -1.623 -7.941) 8.105 3.196 ( -0.000 11.575 -1.258) 11.643 3.800 ( -0.000 26.005 -3.842) 26.287 5.280 ( 0.000 4.209 2.993) 5.165 5.748 ( -0.000 -0.421 -6.348) 6.362 6.121 ( 0.000 7.068 3.992) 8.117 6.355 ( -0.000 0.717 -5.001) 5.052 7.067 ( -0.000 5.822 0.918) 5.894 7.118 ( 0.000 6.329 3.848) 7.407 8.203 ( 0.000 -3.683 0.252) 3.692 8.535 ( -0.000 6.521 1.042) 6.604 9.497 ( 0.000 -15.317 -0.588) 15.328 10.452 ( 0.000 -2.309 0.612) 2.389 13.826 ( 0.000 -5.572 -0.000) 5.572 13.835 ( -0.000 1.976 -0.475) 2.032======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( 5.865 5.882 3.736) 9.108 2.197 ( 4.877 10.623 6.549) 13.398 2.322 ( 8.768 9.699 -0.774) 13.098 2.451 ( 1.436 -6.761 -3.656) 7.819 3.340 ( 5.410 8.791 -0.762) 10.351 4.032 ( -1.060 23.146 -3.647) 23.455 5.347 ( 0.423 5.569 3.670) 6.683 5.668 ( -6.280 0.626 -5.829) 8.592 6.238 ( 4.018 4.754 3.404) 7.094 6.384 ( 3.307 2.674 -4.090) 5.900 7.036 ( -8.746 3.339 1.586) 9.495 7.190 ( -0.250 5.168 3.176) 6.071 8.141 ( -0.743 -6.961 -3.999) 8.062 8.648 ( 4.429 5.485 5.725) 9.082 9.318 ( -3.871 -12.259 -2.600) 13.116 10.484 ( 7.121 -3.015 0.551) 7.753 13.526 ( -16.860 -4.493 -0.105) 17.449 14.075 ( 12.628 3.654 -0.091) 13.146======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.166 ( -1.456 -6.187 9.713) 11.608 2.326 ( 2.150 4.842 -12.613) 13.680 2.563 ( 15.100 6.048 6.610) 17.558 2.667 ( 14.833 12.681 1.470) 19.570 3.553 ( 9.887 7.033 -0.173) 12.134 4.197 ( -2.223 17.466 -3.606) 17.972 5.395 ( -1.050 1.282 2.923) 3.360 5.549 ( -6.842 2.960 -4.290) 8.601 6.334 ( 2.452 0.853 0.484) 2.641 6.497 ( 4.393 6.722 -1.234) 8.124 6.876 ( -9.339 -1.710 1.792) 9.662 7.223 ( -1.614 3.179 2.388) 4.291 8.017 ( -3.437 -8.445 -4.066) 9.983 8.795 ( 5.043 2.820 7.234) 9.258 9.118 ( -6.027 -7.893 -4.613) 10.950 10.642 ( 12.561 -0.463 0.261) 12.572 13.171 ( -17.345 -6.428 -0.022) 18.497 14.329 ( 10.513 6.673 0.037) 12.452======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.105 ( -0.000 6.919 0.020) 6.919 2.287 ( 0.000 3.714 11.435) 12.023 2.295 ( -0.000 10.583 -0.628) 10.602 2.349 ( -0.000 -9.778 -4.206) 10.644 3.358 ( -0.000 5.527 -0.350) 5.538 4.259 ( -0.000 21.187 -4.595) 21.679 5.420 ( 0.000 6.405 2.987) 7.068 5.723 ( -0.000 1.609 -5.047) 5.297 6.252 ( 0.000 2.635 2.053) 3.340 6.363 ( -0.000 3.597 -2.055) 4.142 7.186 ( -0.000 5.600 -0.101) 5.601 7.248 ( 0.000 4.098 5.172) 6.599 8.066 ( -0.000 -6.629 -6.229) 9.096 8.659 ( 0.000 1.880 8.699) 8.900 9.237 ( -0.000 -8.497 -4.446) 9.590 10.367 ( 0.000 -6.199 0.672) 6.235 13.720 ( 0.000 -4.812 0.002) 4.812 13.925 ( -0.000 6.512 0.022) 6.512======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( -1.747 -6.031 5.852) 8.583 2.275 ( 3.616 0.473 -12.200) 12.733 2.416 ( 9.346 4.512 13.003) 16.637 2.520 ( 12.760 8.570 1.257) 15.422 3.458 ( 6.146 3.719 0.444) 7.197 4.412 ( -2.893 16.762 -5.631) 17.918 5.459 ( -2.360 2.965 0.584) 3.834 5.688 ( -5.282 4.084 -2.550) 7.147 6.292 ( 2.902 0.434 -0.460) 2.970 6.457 ( 5.104 4.835 0.558) 7.052 7.103 ( -13.153 2.583 0.955) 13.438 7.293 ( -1.220 2.991 3.985) 5.130 7.971 ( -1.687 -6.216 -6.493) 9.146 8.735 ( 4.897 -1.690 9.984) 11.248 9.132 ( -3.446 -3.261 -5.803) 7.496 10.396 ( 10.370 -5.553 0.405) 11.771 13.454 ( -18.684 -2.798 0.051) 18.892 14.172 ( 13.820 5.595 0.169) 14.910======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.111 ( 0.000 -12.838 3.242) 13.241 2.206 ( -0.000 3.647 -0.183) 3.651 2.408 ( 0.000 3.842 6.824) 7.832 2.476 ( -0.000 7.288 -0.156) 7.290 3.439 ( 0.000 2.702 1.901) 3.304 4.571 ( -0.000 12.672 -7.057) 14.505 5.509 ( -0.000 2.113 -2.062) 2.952 5.776 ( -0.000 4.440 -0.508) 4.469 6.258 ( -0.000 -0.434 -1.360) 1.428 6.460 ( 0.000 4.185 2.076) 4.671 7.282 ( -0.000 4.119 -0.804) 4.197 7.331 ( 0.000 1.162 5.334) 5.460 7.918 ( -0.000 -3.795 -7.094) 8.045 8.679 ( 0.000 -4.692 10.578) 11.572 9.134 ( -0.000 0.530 -5.480) 5.505 10.235 ( 0.000 -6.508 0.286) 6.514 13.639 ( 0.000 -3.239 0.003) 3.239 14.064 ( -0.000 6.491 0.401) 6.504======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 0.000 -0.000 15.818) 15.818 0.765 ( 0.000 -0.000 15.818) 15.818 1.228 ( -0.000 0.000 -7.059) 7.059 1.228 ( -0.000 0.000 -7.059) 7.059 1.987 ( 0.000 -0.000 44.346) 44.346 3.456 ( -0.000 0.000 -25.482) 25.482 5.746 ( 0.000 -0.000 4.595) 4.595 5.746 ( 0.000 -0.000 4.595) 4.595 6.134 ( 0.000 -0.000 0.247) 0.247 6.273 ( -0.000 0.000 -7.248) 7.248 6.273 ( -0.000 0.000 -7.248) 7.248 6.824 ( 0.000 -0.000 2.898) 2.898 6.824 ( 0.000 -0.000 2.898) 2.898 8.432 ( -0.000 0.000 -0.879) 0.879 10.424 ( 0.000 -0.000 0.599) 0.599 10.680 ( 0.000 -0.000 0.226) 0.226 14.124 ( -0.000 -0.000 -0.002) 0.002 14.124 ( -0.000 0.000 -0.002) 0.002======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 13.946 8.052 11.486) 19.780 1.110 ( 23.208 13.399 10.291) 28.707 1.255 ( 6.364 3.674 -7.550) 10.536 1.526 ( 21.686 12.520 -4.406) 25.425 2.125 ( 3.309 1.911 39.458) 39.643 3.322 ( -3.697 -2.134 -26.029) 26.377 5.683 ( -9.858 -5.692 1.140) 11.440 5.778 ( 1.832 1.057 4.472) 4.947 5.817 ( -7.222 -4.170 -1.650) 8.501 6.260 ( 0.937 0.541 -6.077) 6.173 6.602 ( 12.005 6.931 -3.496) 14.297 6.851 ( 1.355 0.783 2.092) 2.613 7.146 ( 25.060 14.468 2.168) 29.018 8.448 ( 0.983 0.568 -3.046) 3.250 10.427 ( 0.260 0.150 0.038) 0.303 10.522 ( -12.253 -7.074 3.403) 14.552 14.075 ( -4.097 -2.366 0.086) 4.732 14.101 ( -1.996 -1.152 -0.018) 2.305======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 13.541 7.818 1.967) 15.759 1.470 ( 12.826 7.405 -1.220) 14.861 1.596 ( 13.112 7.570 13.884) 20.543 2.085 ( 25.939 14.976 -1.868) 30.010 2.427 ( 15.852 9.152 23.541) 29.820 3.210 ( 0.715 0.413 -24.966) 24.980 5.442 ( -8.163 -4.713 -1.905) 9.616 5.722 ( -3.146 -1.816 1.208) 3.828 5.859 ( 4.244 2.450 3.931) 6.282 6.275 ( 1.381 0.797 -4.347) 4.630 6.834 ( 9.571 5.526 -3.117) 11.483 6.900 ( 2.580 1.490 1.165) 3.199 7.761 ( 24.801 14.319 2.709) 28.766 8.429 ( -2.094 -1.209 -4.232) 4.874 10.193 ( -16.299 -9.410 5.188) 19.522 10.447 ( 1.495 0.863 -1.208) 2.107 13.956 ( -5.619 -3.244 0.194) 6.492 14.035 ( -3.653 -2.109 -0.037) 4.218======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 12.800 7.390 -3.892) 15.284 1.775 ( 12.183 7.034 3.601) 14.521 1.838 ( 5.884 3.397 20.197) 21.309 2.598 ( 16.330 9.428 -10.656) 21.659 2.878 ( 16.288 9.404 5.553) 19.610 3.282 ( 12.374 7.144 -8.974) 16.873 5.323 ( -1.391 -0.803 -3.789) 4.116 5.669 ( -2.000 -1.155 3.567) 4.250 5.995 ( 6.599 3.810 2.623) 8.059 6.292 ( 0.661 0.382 -2.033) 2.172 6.977 ( 3.866 2.232 0.237) 4.471 7.030 ( 8.081 4.666 -3.509) 9.969 8.245 ( 13.174 7.606 7.237) 16.845 8.339 ( -1.574 -0.909 -7.302) 7.525 9.820 ( -16.668 -9.623 4.190) 19.697 10.480 ( 1.205 0.696 -1.735) 2.224 13.847 ( -3.174 -1.833 0.120) 3.667 13.937 ( -4.657 -2.689 -0.045) 5.377======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.939 ( 9.552 5.515 -2.641) 11.342 2.020 ( 5.305 3.063 19.988) 20.905 2.047 ( 10.926 6.308 2.359) 12.835 2.704 ( -1.230 -0.710 -23.122) 23.166 3.178 ( 10.090 5.826 0.859) 11.683 3.724 ( 21.970 12.684 5.668) 25.994 5.352 ( 4.443 2.565 -5.723) 7.686 5.650 ( -0.665 -0.384 5.571) 5.623 6.166 ( 7.516 4.339 -0.156) 8.680 6.294 ( -0.242 -0.140 1.006) 1.044 7.077 ( 4.659 2.690 -0.198) 5.384 7.185 ( 6.202 3.581 -4.119) 8.262 8.166 ( -7.534 -4.350 4.344) 9.724 8.581 ( 10.581 6.109 -4.111) 12.891 9.464 ( -14.629 -8.446 3.481) 17.247 10.469 ( -2.164 -1.250 -1.408) 2.868 13.826 ( -4.834 -2.791 -0.036) 5.582 13.831 ( 1.941 1.121 -0.074) 2.242======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.107 ( 5.595 3.230 -0.527) 6.482 2.176 ( 2.819 1.627 18.462) 18.747 2.290 ( 9.501 5.486 0.606) 10.988 2.518 ( -7.255 -4.189 -25.502) 26.843 3.356 ( 5.357 3.093 0.111) 6.187 4.214 ( 18.093 10.446 6.542) 21.892 5.449 ( 4.080 2.355 -4.158) 6.283 5.683 ( 2.579 1.489 4.993) 5.813 6.266 ( 0.129 0.075 -1.430) 1.438 6.348 ( 5.604 3.235 1.638) 6.675 7.185 ( 4.588 2.649 0.134) 5.299 7.290 ( 3.790 2.188 -4.993) 6.639 8.014 ( -6.450 -3.724 6.501) 9.886 8.730 ( 3.315 1.914 -8.764) 9.563 9.197 ( -8.362 -4.828 5.375) 11.051 10.373 ( -5.539 -3.198 -0.792) 6.445 13.720 ( -4.171 -2.408 -0.018) 4.817 13.926 ( 5.737 3.312 -0.269) 6.630======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( 0.000 11.059 11.908) 16.251 1.255 ( 0.000 27.062 10.121) 28.893 1.341 ( -0.000 11.423 -6.274) 13.033 1.421 ( -0.000 24.299 -6.693) 25.204 2.226 ( 0.000 2.063 39.280) 39.334 3.249 ( -0.000 -4.245 -27.081) 27.412 5.718 ( 0.000 -14.259 0.695) 14.276 5.789 ( 0.000 1.872 4.067) 4.477 5.799 ( -0.000 -3.310 -2.089) 3.914 6.268 ( -0.000 2.464 -6.628) 7.072 6.573 ( -0.000 12.620 -1.877) 12.758 6.843 ( 0.000 0.857 2.557) 2.697 7.145 ( -0.000 27.207 2.295) 27.304 8.445 ( -0.000 1.517 -2.767) 3.156 10.425 ( 0.000 -0.043 0.106) 0.115 10.529 ( 0.000 -13.896 2.906) 14.196 14.079 ( 0.000 -4.291 -0.161) 4.294 14.101 ( 0.000 -2.327 0.007) 2.327======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( 15.391 11.861 7.226) 20.731 1.441 ( 2.227 15.965 -5.260) 16.956 1.578 ( 5.983 18.203 9.092) 21.208 1.889 ( 18.485 24.695 -3.409) 31.035 2.409 ( 5.472 8.705 31.078) 32.735 3.139 ( -0.163 -0.072 -26.897) 26.898 5.497 ( -6.132 -10.695 -0.637) 12.345 5.746 ( -3.039 -1.886 -1.089) 3.739 5.862 ( 2.556 4.501 3.458) 6.225 6.273 ( -0.193 2.897 -4.980) 5.765 6.748 ( 6.630 8.342 -1.528) 10.765 6.871 ( 1.381 0.784 1.783) 2.387 7.597 ( 16.239 25.112 2.823) 30.038 8.442 ( -1.022 0.322 -3.808) 3.956 10.302 ( -8.863 -15.562 3.962) 18.341 10.434 ( 0.879 0.789 -0.538) 1.298 13.974 ( -4.544 -7.263 0.028) 8.567 14.076 ( -0.859 -1.382 -0.142) 1.634======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( 9.947 14.214 -0.248) 17.350 1.707 ( 9.417 14.762 1.040) 17.541 1.833 ( 5.425 7.583 14.123) 16.923 2.411 ( 16.453 16.266 -6.301) 23.979 2.754 ( 12.299 12.389 14.665) 22.799 3.155 ( 6.929 8.201 -17.830) 20.812 5.337 ( -3.071 -3.924 -1.603) 5.234 5.672 ( -1.835 -3.550 0.799) 4.075 5.981 ( 3.546 7.080 2.835) 8.410 6.290 ( 0.248 2.163 -2.438) 3.268 6.916 ( 3.358 0.130 0.875) 3.472 6.938 ( 6.940 5.812 -2.543) 9.402 8.107 ( 15.711 16.872 3.020) 23.252 8.384 ( -3.985 -1.366 -3.216) 5.300 9.967 ( -12.707 -14.721 3.260) 19.718 10.472 ( 1.598 2.522 -1.202) 3.218 13.803 ( -4.152 -10.742 0.174) 11.518 14.046 ( -2.828 2.202 -0.116) 3.587======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( 7.395 15.204 -1.191) 16.949 1.974 ( 5.576 9.346 5.082) 12.011 2.044 ( 6.516 8.666 12.616) 16.635 2.639 ( 2.860 2.135 -17.126) 17.494 3.089 ( 10.550 11.417 1.017) 15.578 3.502 ( 19.180 14.339 2.380) 24.065 5.308 ( 1.634 1.746 -3.754) 4.451 5.624 ( 0.690 -5.031 3.505) 6.170 6.135 ( 4.313 8.450 0.418) 9.497 6.308 ( -0.017 1.510 0.931) 1.774 6.979 ( 5.054 -1.986 -0.296) 5.438 7.097 ( 6.513 3.805 -3.145) 8.173 8.259 ( -6.510 -3.726 2.330) 7.854 8.479 ( 10.340 11.325 -1.932) 15.457 9.608 ( -13.077 -12.866 2.322) 18.491 10.512 ( -0.874 3.726 -1.265) 4.031 13.639 ( -0.001 -14.138 0.115) 14.138 14.033 ( -3.870 7.645 -0.050) 8.569======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.112 ( 1.834 10.531 -1.417) 10.783 2.169 ( 5.718 4.864 13.771) 15.685 2.279 ( 5.085 12.942 3.585) 14.360 2.550 ( -5.566 -0.532 -21.368) 22.088 3.334 ( 5.015 9.305 0.712) 10.594 3.995 ( 20.243 10.770 5.314) 23.537 5.383 ( 4.352 3.069 -5.109) 7.380 5.622 ( 3.693 -4.827 5.546) 8.228 6.267 ( 1.535 5.134 -3.563) 6.436 6.348 ( 1.665 4.931 4.608) 6.951 7.046 ( 7.054 -5.620 -0.864) 9.061 7.219 ( 5.180 1.947 -3.801) 6.714 8.105 ( -6.983 -4.502 4.775) 9.582 8.694 ( 4.631 7.352 -5.507) 10.287 9.294 ( -9.854 -9.959 3.255) 14.383 10.490 ( -6.189 4.478 -0.860) 7.687 13.525 ( 4.586 -16.826 0.002) 17.440 14.074 ( -3.114 12.809 -0.072) 13.182======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 0.000 16.281 6.971) 17.711 1.580 ( -0.000 14.466 -4.851) 15.258 1.739 ( 0.000 17.163 6.006) 18.184 1.984 ( -0.000 27.676 1.151) 27.700 2.557 ( 0.000 13.920 26.110) 29.589 3.080 ( -0.000 3.840 -26.067) 26.349 5.427 ( 0.000 -11.516 -0.222) 11.518 5.783 ( -0.000 -0.143 -3.794) 3.796 5.868 ( 0.000 4.108 3.316) 5.279 6.292 ( -0.000 3.009 -5.663) 6.412 6.783 ( -0.000 9.693 0.928) 9.738 6.889 ( 0.000 2.497 2.107) 3.267 7.729 ( -0.000 26.097 4.676) 26.513 8.444 ( -0.000 0.167 -4.757) 4.760 10.214 ( 0.000 -18.479 3.349) 18.780 10.432 ( -0.000 0.969 -0.103) 0.974 13.966 ( 0.000 -6.252 -0.548) 6.276 14.034 ( 0.000 -4.225 0.013) 4.225======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 11.772 15.600 4.219) 19.994 1.744 ( 4.137 14.919 -1.809) 15.587 1.910 ( 1.105 11.481 6.586) 13.282 2.336 ( 9.978 17.572 0.601) 20.216 2.797 ( 3.902 14.575 12.540) 19.619 3.126 ( 3.261 14.740 -17.343) 22.994 5.320 ( -0.978 -6.037 0.456) 6.133 5.705 ( -4.984 -1.366 -3.070) 6.011 5.982 ( 4.857 5.897 2.494) 8.037 6.307 ( 0.040 2.725 -4.218) 5.022 6.904 ( 0.823 4.463 1.747) 4.863 6.917 ( 1.599 5.859 0.498) 6.093 8.074 ( 9.748 18.555 5.908) 21.777 8.413 ( -1.734 -0.545 -5.620) 5.907 9.976 ( -6.445 -18.165 2.197) 19.399 10.462 ( 1.901 2.228 -0.145) 2.933 13.806 ( -7.514 -8.892 -0.214) 11.643 14.046 ( 3.246 -1.301 -0.197) 3.503======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 9.201 15.528 2.048) 18.165 2.005 ( 9.544 11.417 4.445) 15.530 2.060 ( 2.215 11.725 2.050) 12.107 2.567 ( 4.463 2.920 -5.299) 7.518 3.057 ( 8.220 14.719 0.815) 16.879 3.408 ( 10.394 19.879 -2.141) 22.534 5.294 ( 1.154 0.363 0.024) 1.210 5.598 ( -3.364 -3.544 -1.128) 5.015 6.145 ( 5.107 7.749 1.751) 9.445 6.325 ( 0.089 2.173 -1.714) 2.769 6.915 ( 0.170 -0.397 0.679) 0.805 7.043 ( 3.827 5.459 -0.583) 6.692 8.304 ( -1.752 -4.306 2.618) 5.335 8.443 ( 7.091 13.485 -2.200) 15.393 9.664 ( -9.526 -16.188 0.938) 18.807 10.539 ( 2.728 4.343 -0.362) 5.142 13.566 ( -7.148 -12.273 -0.008) 14.203 14.106 ( 2.234 3.914 -0.094) 4.507======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.159 ( 4.716 7.512 3.690) 9.607 2.207 ( 1.342 9.006 0.721) 9.134 2.326 ( 8.379 16.764 2.469) 18.903 2.577 ( -1.148 2.261 -9.233) 9.575 3.348 ( 7.286 13.599 0.295) 15.430 3.808 ( 15.094 14.001 2.456) 20.734 5.351 ( 2.272 4.010 -3.077) 5.542 5.527 ( 0.942 -6.027 3.133) 6.858 6.300 ( 1.523 7.933 -3.273) 8.716 6.359 ( 3.129 2.249 4.210) 5.707 6.907 ( 1.532 -4.420 -0.715) 4.733 7.149 ( 3.941 2.642 -1.550) 4.992 8.178 ( -5.771 -5.960 1.777) 8.484 8.675 ( 5.743 9.047 -1.829) 10.871 9.350 ( -9.231 -13.327 1.033) 16.245 10.618 ( -0.643 7.012 -0.398) 7.052 13.337 ( -2.764 -15.490 0.044) 15.734 14.203 ( 1.363 9.069 -0.016) 9.171======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( -0.000 16.009 4.033) 16.509 1.837 ( -0.000 13.128 -3.616) 13.617 2.016 ( 0.000 8.748 3.514) 9.427 2.421 ( 0.000 12.076 5.066) 13.096 2.923 ( -0.000 13.232 1.762) 13.349 3.265 ( -0.000 24.491 -7.928) 25.742 5.277 ( 0.000 -3.501 1.813) 3.943 5.745 ( -0.000 -0.879 -5.541) 5.611 5.991 ( 0.000 6.507 2.853) 7.104 6.316 ( -0.000 1.910 -4.647) 5.024 6.967 ( 0.000 4.366 1.413) 4.589 6.977 ( 0.000 8.559 2.823) 9.013 8.171 ( 0.000 12.516 8.616) 15.195 8.408 ( -0.000 1.332 -8.054) 8.164 9.847 ( 0.000 -18.883 0.889) 18.904 10.460 ( 0.000 1.180 0.630) 1.338 13.854 ( 0.000 -3.802 -0.621) 3.853 13.937 ( 0.000 -5.374 0.018) 5.374======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 11.073 14.484 2.533) 18.407 1.994 ( 4.213 10.746 -0.294) 11.546 2.125 ( 2.972 9.472 -3.945) 10.683 2.531 ( 2.101 1.045 7.121) 7.498 3.097 ( 4.360 14.471 -0.856) 15.137 3.527 ( 2.240 25.430 -3.878) 25.821 5.281 ( 1.171 1.299 2.979) 3.454 5.658 ( -5.866 -1.058 -4.784) 7.643 6.125 ( 5.436 6.923 2.570) 9.170 6.330 ( 0.975 1.769 -4.074) 4.548 6.973 ( -4.144 3.233 1.330) 5.422 7.075 ( 0.702 7.129 2.480) 7.581 8.262 ( 1.125 -4.641 1.569) 5.026 8.477 ( 3.696 11.757 -1.224) 12.385 9.619 ( -4.806 -17.407 -0.520) 18.066 10.504 ( 3.884 1.090 0.706) 4.096 13.640 ( -12.290 -7.123 -0.207) 14.206 14.034 ( 8.517 0.460 -0.121) 8.530======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( -0.000 12.024 2.151) 12.215 2.066 ( -0.000 11.742 -2.280) 11.961 2.151 ( -0.000 6.690 -9.893) 11.943 2.537 ( 0.000 -3.401 15.427) 15.798 3.186 ( -0.000 11.668 -1.114) 11.721 3.766 ( -0.000 26.200 -4.706) 26.619 5.310 ( 0.000 4.603 4.466) 6.413 5.698 ( -0.000 -0.448 -6.169) 6.186 6.151 ( 0.000 7.476 3.156) 8.115 6.316 ( -0.000 0.704 -4.158) 4.217 7.073 ( -0.000 5.511 0.596) 5.543 7.151 ( 0.000 6.797 4.245) 8.014 8.194 ( -0.000 -6.907 -2.481) 7.339 8.552 ( -0.000 10.129 2.944) 10.548 9.486 ( 0.000 -16.338 -2.088) 16.470 10.459 ( 0.000 -2.344 1.108) 2.593 13.826 ( 0.000 -5.577 0.020) 5.577 13.832 ( -0.000 2.108 -0.219) 2.119======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( 0.000 -0.000 14.069) 14.069 0.886 ( 0.000 -0.000 14.069) 14.069 1.164 ( -0.000 0.000 -8.707) 8.707 1.164 ( -0.000 0.000 -8.707) 8.707 2.332 ( 0.000 -0.000 40.935) 40.935 3.233 ( -0.000 0.000 -29.529) 29.529 5.781 ( 0.000 -0.000 3.726) 3.726 5.781 ( 0.000 -0.000 3.726) 3.726 6.135 ( 0.000 -0.000 0.164) 0.164 6.221 ( -0.000 0.000 -5.317) 5.317 6.221 ( -0.000 0.000 -5.317) 5.317 6.843 ( 0.000 -0.000 1.757) 1.757 6.843 ( 0.000 -0.000 1.757) 1.757 8.426 ( -0.000 0.000 -0.596) 0.596 10.428 ( 0.000 -0.000 0.428) 0.428 10.681 ( 0.000 -0.000 0.133) 0.133 14.124 ( -0.000 0.000 -0.002) 0.002 14.124 ( -0.000 0.000 -0.002) 0.002======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 11.201 6.467 7.659) 15.032 1.192 ( 21.515 12.422 9.793) 26.704 1.194 ( 8.022 4.631 -6.101) 11.091 1.482 ( 23.261 13.430 -6.338) 27.598 2.437 ( 0.851 0.491 37.153) 37.166 3.096 ( -3.295 -1.902 -29.596) 29.839 5.697 ( -12.406 -7.163 2.089) 14.477 5.803 ( -5.182 -2.992 -1.798) 6.248 5.810 ( 1.790 1.033 3.082) 3.711 6.220 ( 1.248 0.721 -3.553) 3.834 6.578 ( 12.295 7.099 -2.330) 14.387 6.863 ( 1.193 0.689 0.938) 1.666 7.160 ( 24.824 14.332 1.076) 28.685 8.430 ( 0.191 0.110 -1.419) 1.436 10.427 ( -0.002 -0.001 -0.015) 0.016 10.542 ( -11.163 -6.445 1.601) 12.989 14.076 ( -4.030 -2.327 0.106) 4.654 14.101 ( -2.003 -1.156 -0.020) 2.312======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( 12.018 6.938 -5.481) 14.920 1.492 ( 14.005 8.086 5.196) 16.985 1.688 ( 16.203 9.355 9.119) 20.813 2.056 ( 25.349 14.635 -4.826) 29.666 2.637 ( 9.508 5.489 27.313) 29.437 2.999 ( 3.285 1.896 -26.894) 27.160 5.431 ( -8.886 -5.130 -0.932) 10.303 5.736 ( -2.291 -1.323 2.104) 3.380 5.883 ( 4.041 2.333 1.821) 5.009 6.252 ( 1.841 1.063 -1.210) 2.446 6.811 ( 9.330 5.387 -2.482) 11.056 6.905 ( 2.386 1.378 0.074) 2.757 7.771 ( 24.948 14.404 -0.171) 28.808 8.409 ( -2.003 -1.157 -0.780) 2.441 10.223 ( -16.038 -9.259 2.227) 18.652 10.439 ( 1.154 0.666 -0.873) 1.593 13.958 ( -5.601 -3.234 0.350) 6.477 14.035 ( -3.657 -2.111 -0.035) 4.223======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 13.116 7.572 -4.324) 15.750 1.806 ( 11.872 6.855 3.941) 14.264 1.973 ( 7.428 4.288 12.421) 15.095 2.500 ( 11.833 6.832 -12.539) 18.546 2.917 ( 10.790 6.229 3.330) 12.896 3.237 ( 20.520 11.847 -1.408) 23.736 5.296 ( -2.254 -1.301 -2.854) 3.863 5.703 ( -1.369 -0.790 4.764) 5.019 6.004 ( 6.123 3.535 -0.305) 7.077 6.290 ( 1.229 0.710 1.567) 2.114 6.975 ( 3.756 2.168 -0.602) 4.379 7.002 ( 7.814 4.512 -3.275) 9.599 8.239 ( 13.589 7.846 -7.517) 17.399 8.344 ( -1.673 -0.966 7.230) 7.483 9.844 ( -16.659 -9.618 1.658) 19.308 10.468 ( 1.132 0.654 -1.294) 1.839 13.850 ( -3.249 -1.876 0.400) 3.773 13.937 ( -4.656 -2.688 -0.034) 5.377======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( 0.000 9.224 11.115) 14.444 1.284 ( -0.000 12.428 -7.659) 14.599 1.312 ( -0.000 21.983 0.755) 21.996 1.382 ( -0.000 29.342 0.261) 29.344 2.532 ( 0.000 0.007 35.820) 35.820 3.016 ( -0.000 -3.551 -30.022) 30.231 5.721 ( 0.000 -17.971 -0.063) 17.971 5.787 ( -0.000 -1.249 -0.618) 1.393 5.816 ( 0.000 1.881 2.411) 3.058 6.224 ( -0.000 2.218 -4.019) 4.590 6.563 ( -0.000 13.571 -0.567) 13.583 6.859 ( 0.000 1.021 1.406) 1.738 7.159 ( -0.000 27.774 1.135) 27.798 8.429 ( -0.000 0.453 -1.283) 1.361 10.426 ( 0.000 -0.217 0.103) 0.240 10.545 ( 0.000 -12.754 1.234) 12.813 14.078 ( 0.000 -4.429 -0.143) 4.432 14.101 ( 0.000 -2.325 0.014) 2.325======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( 11.952 11.396 4.531) 17.125 1.399 ( 4.763 16.670 -3.958) 17.783 1.630 ( 8.221 17.900 3.445) 19.996 1.867 ( 17.193 26.251 -1.673) 31.425 2.662 ( 3.177 4.790 30.892) 31.423 2.911 ( 0.480 1.352 -29.224) 29.259 5.494 ( -6.264 -10.819 -0.184) 12.503 5.741 ( -2.147 -2.587 -0.345) 3.380 5.883 ( 2.616 4.414 1.457) 5.334 6.244 ( 0.749 2.485 -1.926) 3.232 6.740 ( 5.790 8.965 -0.527) 10.685 6.881 ( 0.913 1.047 0.600) 1.513 7.612 ( 15.755 26.235 0.938) 30.617 8.422 ( -0.750 -0.549 -1.249) 1.557 10.323 ( -8.734 -15.199 1.272) 17.576 10.431 ( 0.573 0.735 -0.184) 0.950 13.975 ( -4.367 -7.356 0.008) 8.555 14.075 ( -0.851 -1.440 -0.047) 1.673======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 7.942 16.419 -3.365) 18.547 1.723 ( 10.948 13.053 2.773) 17.260 1.915 ( 8.198 7.745 5.325) 12.472 2.362 ( 12.986 15.976 -5.336) 21.269 2.851 ( 5.319 5.655 4.526) 8.987 3.049 ( 14.480 14.551 -3.649) 20.850 5.327 ( -3.984 -3.817 -1.036) 5.614 5.684 ( -0.242 -4.457 2.061) 4.916 5.993 ( 3.082 7.190 -0.010) 7.823 6.285 ( 1.351 1.839 1.083) 2.526 6.917 ( 3.043 1.005 -1.031) 3.367 6.921 ( 6.000 5.566 -0.990) 8.244 8.109 ( 13.999 18.222 -2.372) 23.101 8.380 ( -2.229 -2.342 2.139) 3.876 9.982 ( -12.668 -14.784 0.524) 19.476 10.464 ( 1.281 2.606 -0.577) 2.961 13.805 ( -4.072 -10.835 0.208) 11.577 14.045 ( -2.785 2.162 0.042) 3.526======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.314 ( 0.000 14.805 6.860) 16.317 1.537 ( -0.000 15.343 -5.570) 16.323 1.743 ( -0.000 19.597 -4.004) 20.002 2.014 ( -0.000 28.314 5.250) 28.797 2.775 ( 0.000 5.705 26.257) 26.869 2.864 ( -0.000 8.556 -26.225) 27.585 5.427 ( 0.000 -10.985 0.245) 10.988 5.756 ( -0.000 -1.434 -2.845) 3.186 5.886 ( -0.000 4.341 1.096) 4.477 6.258 ( -0.000 2.663 -2.628) 3.741 6.794 ( -0.000 10.312 1.730) 10.456 6.901 ( 0.000 2.593 1.027) 2.789 7.759 ( -0.000 27.791 2.679) 27.920 8.415 ( -0.000 -1.290 -2.242) 2.587 10.229 ( 0.000 -18.395 0.549) 18.403 10.434 ( 0.000 1.062 0.420) 1.142 13.962 ( 0.000 -6.382 -0.468) 6.399 14.034 ( 0.000 -4.225 0.026) 4.226======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( 0.000 -0.000 11.894) 11.894 0.992 ( 0.000 -0.000 11.894) 11.894 1.088 ( -0.000 0.000 -10.088) 10.088 1.088 ( -0.000 0.000 -10.088) 10.088 2.640 ( 0.000 -0.000 32.801) 32.801 2.987 ( -0.000 0.000 -28.984) 28.984 5.803 ( 0.000 -0.000 1.501) 1.501 5.803 ( 0.000 -0.000 1.501) 1.501 6.136 ( 0.000 -0.000 0.057) 0.057 6.191 ( -0.000 0.000 -2.030) 2.030 6.191 ( -0.000 0.000 -2.030) 2.030 6.853 ( 0.000 -0.000 0.589) 0.589 6.853 ( 0.000 -0.000 0.589) 0.589 8.422 ( -0.000 0.000 -0.211) 0.211 10.431 ( 0.000 -0.000 0.156) 0.156 10.682 ( 0.000 -0.000 0.043) 0.043 14.124 ( -0.000 0.000 -0.001) 0.001 14.124 ( -0.000 0.000 -0.001) 0.001======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.27e-07 8.27e-07 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 6.913 3.992 -9.287) 12.246 1.218 ( 11.777 6.799 8.309) 15.936 1.267 ( 19.699 11.373 8.518) 24.288 1.426 ( 24.811 14.324 -7.260) 29.554 2.704 ( 0.305 0.176 19.973) 19.976 2.864 ( -3.523 -2.034 -19.048) 19.477 5.714 ( -15.082 -8.707 1.731) 17.500 5.790 ( -2.346 -1.354 -1.235) 2.977 5.824 ( 1.702 0.983 0.399) 2.005 6.206 ( 1.602 0.925 0.200) 1.861 6.565 ( 12.213 7.051 -0.905) 14.131 6.866 ( 1.035 0.598 -0.234) 1.218 7.164 ( 24.473 14.130 -0.018) 28.259 8.424 ( 0.021 0.012 -0.049) 0.054 10.427 ( -0.174 -0.100 -0.065) 0.211 10.549 ( -10.766 -6.216 0.164) 12.433 14.077 ( -3.941 -2.276 0.124) 4.553 14.101 ( -2.009 -1.160 -0.019) 2.320=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/60750 10.0 1047.599 1047.599 6234.007 -0.000 0.000 0.000 3/60750 20.0 318.560 318.560 847.052 -0.000 0.000 0.000 3/60750 30.0 156.151 156.151 308.657 -0.000 0.000 0.000 3/60750 40.0 90.811 90.811 166.742 -0.000 0.000 0.000 3/60750 50.0 58.827 58.827 106.900 -0.000 0.000 0.000 3/60750 60.0 41.613 41.613 75.726 -0.000 0.000 0.000 3/60750 70.0 31.490 31.490 57.385 -0.000 0.000 0.000 3/60750 80.0 25.065 25.065 45.657 -0.000 0.000 0.000 3/60750 90.0 20.721 20.721 37.672 -0.000 0.000 0.000 3/60750 100.0 17.630 17.630 31.962 -0.000 0.000 0.000 3/60750 110.0 15.338 15.338 27.712 -0.000 0.000 0.000 3/60750 120.0 13.578 13.578 24.444 -0.000 0.000 0.000 3/60750 130.0 12.188 12.188 21.863 -0.000 0.000 0.000 3/60750 140.0 11.063 11.063 19.777 -0.000 0.000 0.000 3/60750 150.0 10.136 10.136 18.058 -0.000 0.000 0.000 3/60750 160.0 9.358 9.358 16.620 -0.000 0.000 0.000 3/60750 170.0 8.695 8.695 15.398 -0.000 0.000 0.000 3/60750 180.0 8.124 8.124 14.348 -0.000 0.000 0.000 3/60750 190.0 7.627 7.627 13.435 -0.000 0.000 0.000 3/60750 200.0 7.190 7.190 12.635 -0.000 0.000 0.000 3/60750 210.0 6.802 6.802 11.928 -0.000 0.000 0.000 3/60750 220.0 6.455 6.455 11.298 -0.000 0.000 0.000 3/60750 230.0 6.144 6.144 10.733 -0.000 0.000 0.000 3/60750 240.0 5.862 5.862 10.223 -0.000 0.000 0.000 3/60750 250.0 5.606 5.606 9.761 -0.000 0.000 0.000 3/60750 260.0 5.372 5.372 9.341 -0.000 0.000 0.000 3/60750 270.0 5.157 5.157 8.956 -0.000 0.000 0.000 3/60750 280.0 4.960 4.960 8.602 -0.000 0.000 0.000 3/60750 290.0 4.777 4.777 8.276 -0.000 0.000 0.000 3/60750 300.0 4.608 4.608 7.975 -0.000 0.000 0.000 3/60750 310.0 4.451 4.451 7.695 -0.000 0.000 0.000 3/60750 320.0 4.304 4.304 7.435 -0.000 0.000 0.000 3/60750 330.0 4.167 4.167 7.192 -0.000 0.000 0.000 3/60750 340.0 4.038 4.038 6.965 -0.000 0.000 0.000 3/60750 350.0 3.918 3.918 6.752 -0.000 0.000 0.000 3/60750 360.0 3.804 3.804 6.553 -0.000 0.000 0.000 3/60750 370.0 3.697 3.697 6.364 -0.000 0.000 0.000 3/60750 380.0 3.597 3.597 6.187 -0.000 0.000 0.000 3/60750 390.0 3.501 3.501 6.019 -0.000 0.000 0.000 3/60750 400.0 3.411 3.411 5.861 -0.000 0.000 0.000 3/60750 410.0 3.325 3.325 5.711 -0.000 0.000 0.000 3/60750 420.0 3.243 3.243 5.568 -0.000 0.000 0.000 3/60750 430.0 3.166 3.166 5.432 -0.000 0.000 0.000 3/60750 440.0 3.092 3.092 5.303 -0.000 0.000 0.000 3/60750 450.0 3.021 3.021 5.180 -0.000 0.000 0.000 3/60750 460.0 2.954 2.954 5.063 -0.000 0.000 0.000 3/60750 470.0 2.889 2.889 4.951 -0.000 0.000 0.000 3/60750 480.0 2.828 2.828 4.844 -0.000 0.000 0.000 3/60750 490.0 2.769 2.769 4.742 -0.000 0.000 0.000 3/60750 500.0 2.712 2.712 4.644 -0.000 0.000 0.000 3/60750 510.0 2.658 2.658 4.550 -0.000 0.000 0.000 3/60750 520.0 2.606 2.606 4.459 -0.000 0.000 0.000 3/60750 530.0 2.556 2.556 4.372 -0.000 0.000 0.000 3/60750 540.0 2.508 2.508 4.289 -0.000 0.000 0.000 3/60750 550.0 2.461 2.461 4.209 -0.000 0.000 0.000 3/60750 560.0 2.417 2.417 4.132 -0.000 0.000 0.000 3/60750 570.0 2.374 2.374 4.057 -0.000 0.000 0.000 3/60750 580.0 2.332 2.332 3.985 -0.000 0.000 0.000 3/60750 590.0 2.292 2.292 3.916 -0.000 0.000 0.000 3/60750 600.0 2.253 2.253 3.849 -0.000 0.000 0.000 3/60750 610.0 2.216 2.216 3.785 -0.000 0.000 0.000 3/60750 620.0 2.180 2.180 3.722 -0.000 0.000 0.000 3/60750 630.0 2.145 2.145 3.662 -0.000 0.000 0.000 3/60750 640.0 2.111 2.111 3.603 -0.000 0.000 0.000 3/60750 650.0 2.078 2.078 3.547 -0.000 0.000 0.000 3/60750 660.0 2.046 2.046 3.492 -0.000 0.000 0.000 3/60750 670.0 2.015 2.015 3.439 -0.000 0.000 0.000 3/60750 680.0 1.985 1.985 3.387 -0.000 0.000 0.000 3/60750 690.0 1.956 1.956 3.337 -0.000 0.000 0.000 3/60750 700.0 1.928 1.928 3.289 -0.000 0.000 0.000 3/60750 710.0 1.900 1.900 3.242 -0.000 0.000 0.000 3/60750 720.0 1.874 1.874 3.196 -0.000 0.000 0.000 3/60750 730.0 1.848 1.848 3.151 -0.000 0.000 0.000 3/60750 740.0 1.823 1.823 3.108 -0.000 0.000 0.000 3/60750 750.0 1.798 1.798 3.066 -0.000 0.000 0.000 3/60750 760.0 1.774 1.774 3.025 -0.000 0.000 0.000 3/60750 770.0 1.751 1.751 2.985 -0.000 0.000 0.000 3/60750 780.0 1.728 1.728 2.946 -0.000 0.000 0.000 3/60750 790.0 1.706 1.706 2.909 -0.000 0.000 0.000 3/60750 800.0 1.685 1.685 2.872 -0.000 0.000 0.000 3/60750 810.0 1.664 1.664 2.836 -0.000 0.000 0.000 3/60750 820.0 1.643 1.643 2.801 -0.000 0.000 0.000 3/60750 830.0 1.623 1.623 2.767 -0.000 0.000 0.000 3/60750 840.0 1.604 1.604 2.733 -0.000 0.000 0.000 3/60750 850.0 1.585 1.585 2.701 -0.000 0.000 0.000 3/60750 860.0 1.566 1.566 2.669 -0.000 0.000 0.000 3/60750 870.0 1.548 1.548 2.638 -0.000 0.000 0.000 3/60750 880.0 1.531 1.531 2.607 -0.000 0.000 0.000 3/60750 890.0 1.513 1.513 2.578 -0.000 0.000 0.000 3/60750 900.0 1.496 1.496 2.549 -0.000 0.000 0.000 3/60750 910.0 1.480 1.480 2.521 -0.000 0.000 0.000 3/60750 920.0 1.464 1.464 2.493 -0.000 0.000 0.000 3/60750 930.0 1.448 1.448 2.466 -0.000 0.000 0.000 3/60750 940.0 1.432 1.432 2.439 -0.000 0.000 0.000 3/60750 950.0 1.417 1.417 2.413 -0.000 0.000 0.000 3/60750 960.0 1.402 1.402 2.388 -0.000 0.000 0.000 3/60750 970.0 1.388 1.388 2.363 -0.000 0.000 0.000 3/60750 980.0 1.374 1.374 2.339 -0.000 0.000 0.000 3/60750 990.0 1.360 1.360 2.315 -0.000 0.000 0.000 3/60750 1000.0 1.346 1.346 2.292 -0.000 0.000 0.000 3/60750Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 12:16:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|