# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/989f88b1-7d93-4ced-81c6-8e98ed34d656/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 NaTmO2 / R-3m (166) / materials id 754825](https://mdr.nims.go.jp/datasets/54d433bd-51d7-47c1-b27a-1eed95424ebe) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:32:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 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: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 1.663499826646492 0.960422072711246 5.483779156666659 b -1.663499826646488 0.960422072711246 5.483779156666659 c 0.000000000000002 -1.920844145422495 5.483779156666659Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *2 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 *3 O 0.26366226422664 0.26366226422665 0.26366226422664 15.999 4 O 0.73633773577336 0.73633773577336 0.73633773577336 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.326999653292980 0.000000000000000 0.000000000000000 b -1.663499826646490 2.881266218133741 0.000000000000000 c 0.000000000000000 0.000000000000000 16.451337469999995Atomic positions (fractional): *1 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 1 2 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 1 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 *4 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 2 5 Tm 0.66666666666667 0.33333333333333 0.33333333333333 168.934 > 2 6 Tm 0.33333333333333 0.66666666666667 0.66666666666667 168.934 > 2 *7 O 0.33333333333333 0.66666666666667 0.93032893089331 15.999 > 3 8 O 0.00000000000000 0.00000000000000 0.73633773577336 15.999 > 4 9 O 0.00000000000000 0.00000000000000 0.26366226422664 15.999 > 3 10 O 0.66666666666667 0.33333333333333 0.06967106910669 15.999 > 4 11 O 0.66666666666667 0.33333333333333 0.59699559755998 15.999 > 3 12 O 0.33333333333333 0.66666666666667 0.40300440244002 15.999 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 9.980998959878940 0.000000000000000 0.000000000000000 b -4.990499479939470 8.643798654401223 0.000000000000000 c 0.000000000000000 0.000000000000000 16.451337469999995Atomic positions (fractional): *1 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 2 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 3 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 4 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 5 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 6 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 7 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 8 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 9 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 10 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 11 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 12 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 13 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 14 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 15 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 16 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 17 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 18 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 19 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 20 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 21 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 22 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 23 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 24 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 25 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 26 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 27 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 *28 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 2 29 Tm 0.33333333333333 0.00000000000000 0.00000000000000 168.934 > 2 30 Tm 0.66666666666667 0.00000000000000 0.00000000000000 168.934 > 2 31 Tm 0.00000000000000 0.33333333333333 0.00000000000000 168.934 > 2 32 Tm 0.33333333333333 0.33333333333333 0.00000000000000 168.934 > 2 33 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 > 2 34 Tm 0.00000000000000 0.66666666666667 0.00000000000000 168.934 > 2 35 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 > 2 36 Tm 0.66666666666667 0.66666666666667 0.00000000000000 168.934 > 2 37 Tm 0.22222222222222 0.11111111111111 0.33333333333333 168.934 > 2 38 Tm 0.55555555555556 0.11111111111111 0.33333333333333 168.934 > 2 39 Tm 0.88888888888889 0.11111111111111 0.33333333333333 168.934 > 2 40 Tm 0.22222222222222 0.44444444444444 0.33333333333333 168.934 > 2 41 Tm 0.55555555555556 0.44444444444444 0.33333333333333 168.934 > 2 42 Tm 0.88888888888889 0.44444444444444 0.33333333333333 168.934 > 2 43 Tm 0.22222222222222 0.77777777777778 0.33333333333333 168.934 > 2 44 Tm 0.55555555555556 0.77777777777778 0.33333333333333 168.934 > 2 45 Tm 0.88888888888889 0.77777777777778 0.33333333333333 168.934 > 2 46 Tm 0.11111111111111 0.22222222222222 0.66666666666667 168.934 > 2 47 Tm 0.44444444444444 0.22222222222222 0.66666666666667 168.934 > 2 48 Tm 0.77777777777778 0.22222222222222 0.66666666666667 168.934 > 2 49 Tm 0.11111111111111 0.55555555555556 0.66666666666667 168.934 > 2 50 Tm 0.44444444444444 0.55555555555556 0.66666666666667 168.934 > 2 51 Tm 0.77777777777778 0.55555555555556 0.66666666666667 168.934 > 2 52 Tm 0.11111111111111 0.88888888888889 0.66666666666667 168.934 > 2 53 Tm 0.44444444444444 0.88888888888889 0.66666666666667 168.934 > 2 54 Tm 0.77777777777778 0.88888888888889 0.66666666666667 168.934 > 2 *55 O 0.11111111111111 0.22222222222222 0.93032893089331 15.999 > 3 56 O 0.44444444444444 0.22222222222222 0.93032893089331 15.999 > 3 57 O 0.77777777777778 0.22222222222222 0.93032893089331 15.999 > 3 58 O 0.11111111111111 0.55555555555556 0.93032893089331 15.999 > 3 59 O 0.44444444444444 0.55555555555556 0.93032893089331 15.999 > 3 60 O 0.77777777777778 0.55555555555556 0.93032893089331 15.999 > 3 61 O 0.11111111111111 0.88888888888889 0.93032893089331 15.999 > 3 62 O 0.44444444444444 0.88888888888889 0.93032893089331 15.999 > 3 63 O 0.77777777777778 0.88888888888889 0.93032893089331 15.999 > 3 64 O 0.00000000000000 0.00000000000000 0.73633773577336 15.999 > 4 65 O 0.33333333333333 0.00000000000000 0.73633773577336 15.999 > 4 66 O 0.66666666666667 0.00000000000000 0.73633773577336 15.999 > 4 67 O 0.00000000000000 0.33333333333333 0.73633773577336 15.999 > 4 68 O 0.33333333333333 0.33333333333333 0.73633773577336 15.999 > 4 69 O 0.66666666666667 0.33333333333333 0.73633773577336 15.999 > 4 70 O 0.00000000000000 0.66666666666667 0.73633773577336 15.999 > 4 71 O 0.33333333333333 0.66666666666667 0.73633773577336 15.999 > 4 72 O 0.66666666666667 0.66666666666667 0.73633773577336 15.999 > 4 73 O 0.00000000000000 0.00000000000000 0.26366226422664 15.999 > 3 74 O 0.33333333333333 0.00000000000000 0.26366226422664 15.999 > 3 75 O 0.66666666666667 0.00000000000000 0.26366226422664 15.999 > 3 76 O 0.00000000000000 0.33333333333333 0.26366226422664 15.999 > 3 77 O 0.33333333333333 0.33333333333333 0.26366226422664 15.999 > 3 78 O 0.66666666666667 0.33333333333333 0.26366226422664 15.999 > 3 79 O 0.00000000000000 0.66666666666667 0.26366226422664 15.999 > 3 80 O 0.33333333333333 0.66666666666667 0.26366226422664 15.999 > 3 81 O 0.66666666666667 0.66666666666667 0.26366226422664 15.999 > 3 82 O 0.22222222222222 0.11111111111111 0.06967106910669 15.999 > 4 83 O 0.55555555555556 0.11111111111111 0.06967106910669 15.999 > 4 84 O 0.88888888888889 0.11111111111111 0.06967106910669 15.999 > 4 85 O 0.22222222222222 0.44444444444444 0.06967106910669 15.999 > 4 86 O 0.55555555555556 0.44444444444444 0.06967106910669 15.999 > 4 87 O 0.88888888888889 0.44444444444444 0.06967106910669 15.999 > 4 88 O 0.22222222222222 0.77777777777778 0.06967106910669 15.999 > 4 89 O 0.55555555555556 0.77777777777778 0.06967106910669 15.999 > 4 90 O 0.88888888888889 0.77777777777778 0.06967106910669 15.999 > 4 91 O 0.22222222222222 0.11111111111111 0.59699559755998 15.999 > 3 92 O 0.55555555555556 0.11111111111111 0.59699559755998 15.999 > 3 93 O 0.88888888888889 0.11111111111111 0.59699559755998 15.999 > 3 94 O 0.22222222222222 0.44444444444444 0.59699559755998 15.999 > 3 95 O 0.55555555555556 0.44444444444444 0.59699559755998 15.999 > 3 96 O 0.88888888888889 0.44444444444444 0.59699559755998 15.999 > 3 97 O 0.22222222222222 0.77777777777778 0.59699559755998 15.999 > 3 98 O 0.55555555555556 0.77777777777778 0.59699559755998 15.999 > 3 99 O 0.88888888888889 0.77777777777778 0.59699559755998 15.999 > 3 100 O 0.11111111111111 0.22222222222222 0.40300440244002 15.999 > 4 101 O 0.44444444444444 0.22222222222222 0.40300440244002 15.999 > 4 102 O 0.77777777777778 0.22222222222222 0.40300440244002 15.999 > 4 103 O 0.11111111111111 0.55555555555556 0.40300440244002 15.999 > 4 104 O 0.44444444444444 0.55555555555556 0.40300440244002 15.999 > 4 105 O 0.77777777777778 0.55555555555556 0.40300440244002 15.999 > 4 106 O 0.11111111111111 0.88888888888889 0.40300440244002 15.999 > 4 107 O 0.44444444444444 0.88888888888889 0.40300440244002 15.999 > 4 108 O 0.77777777777778 0.88888888888889 0.40300440244002 15.999 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.8590042 0.0000000 0.0000000 0.0000000 3.8590042 0.0000000 0.0000000 0.0000000 3.0626133-------------------------- Born effective charges -------------------------- 1 Na 0.9811998 -0.0000000 0.0000000 0.0000000 0.9811998 0.0000000 0.0000000 0.0000000 1.3550012 2 Tm 4.1199212 0.0000000 0.0000000 0.0000000 4.1199212 0.0000000 0.0000000 0.0000000 2.2089274 3 O -2.5505605 -0.0000000 0.0000000 0.0000000 -2.5505605 0.0000000 0.0000000 0.0000000 -1.7819643 4 O -2.5505605 -0.0000000 0.0000000 0.0000000 -2.5505605 0.0000000 0.0000000 0.0000000 -1.7819643----------------------------------------------------------------------------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: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 196Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.120Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.127--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 196Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 23:32:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:32:08]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 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 1.663499826646492 0.960422072711246 5.483779156666659 b -1.663499826646488 0.960422072711246 5.483779156666659 c 0.000000000000002 -1.920844145422495 5.483779156666659Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 3 O 0.26366226422664 0.26366226422665 0.26366226422664 15.999 4 O 0.73633773577336 0.73633773577336 0.73633773577336 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.980998959878940 0.000000000000000 0.000000000000000 b -4.990499479939470 8.643798654401223 0.000000000000000 c 0.000000000000000 0.000000000000000 16.451337469999995Atomic positions (fractional): 1 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 2 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 3 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 4 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 5 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 6 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 7 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 8 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 9 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 10 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 11 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 12 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 13 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 14 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 15 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 16 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 17 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 18 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 19 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 20 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 21 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 22 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 23 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 24 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 25 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 26 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 27 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 28 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 28 29 Tm 0.33333333333333 0.00000000000000 0.00000000000000 168.934 > 28 30 Tm 0.66666666666667 0.00000000000000 0.00000000000000 168.934 > 28 31 Tm 0.00000000000000 0.33333333333333 0.00000000000000 168.934 > 28 32 Tm 0.33333333333333 0.33333333333333 0.00000000000000 168.934 > 28 33 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 > 28 34 Tm 0.00000000000000 0.66666666666667 0.00000000000000 168.934 > 28 35 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 > 28 36 Tm 0.66666666666667 0.66666666666667 0.00000000000000 168.934 > 28 37 Tm 0.22222222222222 0.11111111111111 0.33333333333333 168.934 > 28 38 Tm 0.55555555555556 0.11111111111111 0.33333333333333 168.934 > 28 39 Tm 0.88888888888889 0.11111111111111 0.33333333333333 168.934 > 28 40 Tm 0.22222222222222 0.44444444444444 0.33333333333333 168.934 > 28 41 Tm 0.55555555555556 0.44444444444444 0.33333333333333 168.934 > 28 42 Tm 0.88888888888889 0.44444444444444 0.33333333333333 168.934 > 28 43 Tm 0.22222222222222 0.77777777777778 0.33333333333333 168.934 > 28 44 Tm 0.55555555555556 0.77777777777778 0.33333333333333 168.934 > 28 45 Tm 0.88888888888889 0.77777777777778 0.33333333333333 168.934 > 28 46 Tm 0.11111111111111 0.22222222222222 0.66666666666667 168.934 > 28 47 Tm 0.44444444444444 0.22222222222222 0.66666666666667 168.934 > 28 48 Tm 0.77777777777778 0.22222222222222 0.66666666666667 168.934 > 28 49 Tm 0.11111111111111 0.55555555555556 0.66666666666667 168.934 > 28 50 Tm 0.44444444444444 0.55555555555556 0.66666666666667 168.934 > 28 51 Tm 0.77777777777778 0.55555555555556 0.66666666666667 168.934 > 28 52 Tm 0.11111111111111 0.88888888888889 0.66666666666667 168.934 > 28 53 Tm 0.44444444444444 0.88888888888889 0.66666666666667 168.934 > 28 54 Tm 0.77777777777778 0.88888888888889 0.66666666666667 168.934 > 28 55 O 0.11111111111111 0.22222222222222 0.93032893089331 15.999 > 55 56 O 0.44444444444444 0.22222222222222 0.93032893089331 15.999 > 55 57 O 0.77777777777778 0.22222222222222 0.93032893089331 15.999 > 55 58 O 0.11111111111111 0.55555555555556 0.93032893089331 15.999 > 55 59 O 0.44444444444444 0.55555555555556 0.93032893089331 15.999 > 55 60 O 0.77777777777778 0.55555555555556 0.93032893089331 15.999 > 55 61 O 0.11111111111111 0.88888888888889 0.93032893089331 15.999 > 55 62 O 0.44444444444444 0.88888888888889 0.93032893089331 15.999 > 55 63 O 0.77777777777778 0.88888888888889 0.93032893089331 15.999 > 55 64 O 0.00000000000000 0.00000000000000 0.73633773577336 15.999 > 64 65 O 0.33333333333333 0.00000000000000 0.73633773577336 15.999 > 64 66 O 0.66666666666667 0.00000000000000 0.73633773577336 15.999 > 64 67 O 0.00000000000000 0.33333333333333 0.73633773577336 15.999 > 64 68 O 0.33333333333333 0.33333333333333 0.73633773577336 15.999 > 64 69 O 0.66666666666667 0.33333333333333 0.73633773577336 15.999 > 64 70 O 0.00000000000000 0.66666666666667 0.73633773577336 15.999 > 64 71 O 0.33333333333333 0.66666666666667 0.73633773577336 15.999 > 64 72 O 0.66666666666667 0.66666666666667 0.73633773577336 15.999 > 64 73 O 0.00000000000000 0.00000000000000 0.26366226422664 15.999 > 55 74 O 0.33333333333333 0.00000000000000 0.26366226422664 15.999 > 55 75 O 0.66666666666667 0.00000000000000 0.26366226422664 15.999 > 55 76 O 0.00000000000000 0.33333333333333 0.26366226422664 15.999 > 55 77 O 0.33333333333333 0.33333333333333 0.26366226422664 15.999 > 55 78 O 0.66666666666667 0.33333333333333 0.26366226422664 15.999 > 55 79 O 0.00000000000000 0.66666666666667 0.26366226422664 15.999 > 55 80 O 0.33333333333333 0.66666666666667 0.26366226422664 15.999 > 55 81 O 0.66666666666667 0.66666666666667 0.26366226422664 15.999 > 55 82 O 0.22222222222222 0.11111111111111 0.06967106910669 15.999 > 64 83 O 0.55555555555556 0.11111111111111 0.06967106910669 15.999 > 64 84 O 0.88888888888889 0.11111111111111 0.06967106910669 15.999 > 64 85 O 0.22222222222222 0.44444444444444 0.06967106910669 15.999 > 64 86 O 0.55555555555556 0.44444444444444 0.06967106910669 15.999 > 64 87 O 0.88888888888889 0.44444444444444 0.06967106910669 15.999 > 64 88 O 0.22222222222222 0.77777777777778 0.06967106910669 15.999 > 64 89 O 0.55555555555556 0.77777777777778 0.06967106910669 15.999 > 64 90 O 0.88888888888889 0.77777777777778 0.06967106910669 15.999 > 64 91 O 0.22222222222222 0.11111111111111 0.59699559755998 15.999 > 55 92 O 0.55555555555556 0.11111111111111 0.59699559755998 15.999 > 55 93 O 0.88888888888889 0.11111111111111 0.59699559755998 15.999 > 55 94 O 0.22222222222222 0.44444444444444 0.59699559755998 15.999 > 55 95 O 0.55555555555556 0.44444444444444 0.59699559755998 15.999 > 55 96 O 0.88888888888889 0.44444444444444 0.59699559755998 15.999 > 55 97 O 0.22222222222222 0.77777777777778 0.59699559755998 15.999 > 55 98 O 0.55555555555556 0.77777777777778 0.59699559755998 15.999 > 55 99 O 0.88888888888889 0.77777777777778 0.59699559755998 15.999 > 55 100 O 0.11111111111111 0.22222222222222 0.40300440244002 15.999 > 64 101 O 0.44444444444444 0.22222222222222 0.40300440244002 15.999 > 64 102 O 0.77777777777778 0.22222222222222 0.40300440244002 15.999 > 64 103 O 0.11111111111111 0.55555555555556 0.40300440244002 15.999 > 64 104 O 0.44444444444444 0.55555555555556 0.40300440244002 15.999 > 64 105 O 0.77777777777778 0.55555555555556 0.40300440244002 15.999 > 64 106 O 0.11111111111111 0.88888888888889 0.40300440244002 15.999 > 64 107 O 0.44444444444444 0.88888888888889 0.40300440244002 15.999 > 64 108 O 0.77777777777778 0.88888888888889 0.40300440244002 15.999 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.8590042 0.0000000 0.0000000 0.0000000 3.8590042 0.0000000 0.0000000 0.0000000 3.0626133-------------------------- Born effective charges -------------------------- 1 Na 0.9811998 -0.0000000 0.0000000 0.0000000 0.9811998 0.0000000 0.0000000 0.0000000 1.3550012 2 Tm 4.1199212 0.0000000 0.0000000 0.0000000 4.1199212 0.0000000 0.0000000 0.0000000 2.2089274 3 O -2.5505605 -0.0000000 0.0000000 0.0000000 -2.5505605 0.0000000 0.0000000 0.0000000 -1.7819643 4 O -2.5505605 -0.0000000 0.0000000 0.0000000 -2.5505605 0.0000000 0.0000000 0.0000000 -1.7819643----------------------------------------------------------------------------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[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (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 23:32:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:32:12]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 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 1.663499826646492 0.960422072711246 5.483779156666659 b -1.663499826646488 0.960422072711246 5.483779156666659 c 0.000000000000002 -1.920844145422495 5.483779156666659Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 3 O 0.26366226422664 0.26366226422665 0.26366226422664 15.999 4 O 0.73633773577336 0.73633773577336 0.73633773577336 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.980998959878940 0.000000000000000 0.000000000000000 b -4.990499479939470 8.643798654401223 0.000000000000000 c 0.000000000000000 0.000000000000000 16.451337469999995Atomic positions (fractional): 1 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 2 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 3 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 4 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 5 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 6 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 7 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 8 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 9 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 10 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 11 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 12 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 13 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 14 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 15 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 16 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 17 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 18 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 19 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 20 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 21 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 22 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 23 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 24 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 25 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 26 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 27 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 28 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 28 29 Tm 0.33333333333333 0.00000000000000 0.00000000000000 168.934 > 28 30 Tm 0.66666666666667 0.00000000000000 0.00000000000000 168.934 > 28 31 Tm 0.00000000000000 0.33333333333333 0.00000000000000 168.934 > 28 32 Tm 0.33333333333333 0.33333333333333 0.00000000000000 168.934 > 28 33 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 > 28 34 Tm 0.00000000000000 0.66666666666667 0.00000000000000 168.934 > 28 35 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 > 28 36 Tm 0.66666666666667 0.66666666666667 0.00000000000000 168.934 > 28 37 Tm 0.22222222222222 0.11111111111111 0.33333333333333 168.934 > 28 38 Tm 0.55555555555556 0.11111111111111 0.33333333333333 168.934 > 28 39 Tm 0.88888888888889 0.11111111111111 0.33333333333333 168.934 > 28 40 Tm 0.22222222222222 0.44444444444444 0.33333333333333 168.934 > 28 41 Tm 0.55555555555556 0.44444444444444 0.33333333333333 168.934 > 28 42 Tm 0.88888888888889 0.44444444444444 0.33333333333333 168.934 > 28 43 Tm 0.22222222222222 0.77777777777778 0.33333333333333 168.934 > 28 44 Tm 0.55555555555556 0.77777777777778 0.33333333333333 168.934 > 28 45 Tm 0.88888888888889 0.77777777777778 0.33333333333333 168.934 > 28 46 Tm 0.11111111111111 0.22222222222222 0.66666666666667 168.934 > 28 47 Tm 0.44444444444444 0.22222222222222 0.66666666666667 168.934 > 28 48 Tm 0.77777777777778 0.22222222222222 0.66666666666667 168.934 > 28 49 Tm 0.11111111111111 0.55555555555556 0.66666666666667 168.934 > 28 50 Tm 0.44444444444444 0.55555555555556 0.66666666666667 168.934 > 28 51 Tm 0.77777777777778 0.55555555555556 0.66666666666667 168.934 > 28 52 Tm 0.11111111111111 0.88888888888889 0.66666666666667 168.934 > 28 53 Tm 0.44444444444444 0.88888888888889 0.66666666666667 168.934 > 28 54 Tm 0.77777777777778 0.88888888888889 0.66666666666667 168.934 > 28 55 O 0.11111111111111 0.22222222222222 0.93032893089331 15.999 > 55 56 O 0.44444444444444 0.22222222222222 0.93032893089331 15.999 > 55 57 O 0.77777777777778 0.22222222222222 0.93032893089331 15.999 > 55 58 O 0.11111111111111 0.55555555555556 0.93032893089331 15.999 > 55 59 O 0.44444444444444 0.55555555555556 0.93032893089331 15.999 > 55 60 O 0.77777777777778 0.55555555555556 0.93032893089331 15.999 > 55 61 O 0.11111111111111 0.88888888888889 0.93032893089331 15.999 > 55 62 O 0.44444444444444 0.88888888888889 0.93032893089331 15.999 > 55 63 O 0.77777777777778 0.88888888888889 0.93032893089331 15.999 > 55 64 O 0.00000000000000 0.00000000000000 0.73633773577336 15.999 > 64 65 O 0.33333333333333 0.00000000000000 0.73633773577336 15.999 > 64 66 O 0.66666666666667 0.00000000000000 0.73633773577336 15.999 > 64 67 O 0.00000000000000 0.33333333333333 0.73633773577336 15.999 > 64 68 O 0.33333333333333 0.33333333333333 0.73633773577336 15.999 > 64 69 O 0.66666666666667 0.33333333333333 0.73633773577336 15.999 > 64 70 O 0.00000000000000 0.66666666666667 0.73633773577336 15.999 > 64 71 O 0.33333333333333 0.66666666666667 0.73633773577336 15.999 > 64 72 O 0.66666666666667 0.66666666666667 0.73633773577336 15.999 > 64 73 O 0.00000000000000 0.00000000000000 0.26366226422664 15.999 > 55 74 O 0.33333333333333 0.00000000000000 0.26366226422664 15.999 > 55 75 O 0.66666666666667 0.00000000000000 0.26366226422664 15.999 > 55 76 O 0.00000000000000 0.33333333333333 0.26366226422664 15.999 > 55 77 O 0.33333333333333 0.33333333333333 0.26366226422664 15.999 > 55 78 O 0.66666666666667 0.33333333333333 0.26366226422664 15.999 > 55 79 O 0.00000000000000 0.66666666666667 0.26366226422664 15.999 > 55 80 O 0.33333333333333 0.66666666666667 0.26366226422664 15.999 > 55 81 O 0.66666666666667 0.66666666666667 0.26366226422664 15.999 > 55 82 O 0.22222222222222 0.11111111111111 0.06967106910669 15.999 > 64 83 O 0.55555555555556 0.11111111111111 0.06967106910669 15.999 > 64 84 O 0.88888888888889 0.11111111111111 0.06967106910669 15.999 > 64 85 O 0.22222222222222 0.44444444444444 0.06967106910669 15.999 > 64 86 O 0.55555555555556 0.44444444444444 0.06967106910669 15.999 > 64 87 O 0.88888888888889 0.44444444444444 0.06967106910669 15.999 > 64 88 O 0.22222222222222 0.77777777777778 0.06967106910669 15.999 > 64 89 O 0.55555555555556 0.77777777777778 0.06967106910669 15.999 > 64 90 O 0.88888888888889 0.77777777777778 0.06967106910669 15.999 > 64 91 O 0.22222222222222 0.11111111111111 0.59699559755998 15.999 > 55 92 O 0.55555555555556 0.11111111111111 0.59699559755998 15.999 > 55 93 O 0.88888888888889 0.11111111111111 0.59699559755998 15.999 > 55 94 O 0.22222222222222 0.44444444444444 0.59699559755998 15.999 > 55 95 O 0.55555555555556 0.44444444444444 0.59699559755998 15.999 > 55 96 O 0.88888888888889 0.44444444444444 0.59699559755998 15.999 > 55 97 O 0.22222222222222 0.77777777777778 0.59699559755998 15.999 > 55 98 O 0.55555555555556 0.77777777777778 0.59699559755998 15.999 > 55 99 O 0.88888888888889 0.77777777777778 0.59699559755998 15.999 > 55 100 O 0.11111111111111 0.22222222222222 0.40300440244002 15.999 > 64 101 O 0.44444444444444 0.22222222222222 0.40300440244002 15.999 > 64 102 O 0.77777777777778 0.22222222222222 0.40300440244002 15.999 > 64 103 O 0.11111111111111 0.55555555555556 0.40300440244002 15.999 > 64 104 O 0.44444444444444 0.55555555555556 0.40300440244002 15.999 > 64 105 O 0.77777777777778 0.55555555555556 0.40300440244002 15.999 > 64 106 O 0.11111111111111 0.88888888888889 0.40300440244002 15.999 > 64 107 O 0.44444444444444 0.88888888888889 0.40300440244002 15.999 > 64 108 O 0.77777777777778 0.88888888888889 0.40300440244002 15.999 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.8590042 0.0000000 0.0000000 0.0000000 3.8590042 0.0000000 0.0000000 0.0000000 3.0626133-------------------------- Born effective charges -------------------------- 1 Na 0.9811998 -0.0000000 0.0000000 0.0000000 0.9811998 0.0000000 0.0000000 0.0000000 1.3550012 2 Tm 4.1199212 0.0000000 0.0000000 0.0000000 4.1199212 0.0000000 0.0000000 0.0000000 2.2089274 3 O -2.5505605 -0.0000000 0.0000000 0.0000000 -2.5505605 0.0000000 0.0000000 0.0000000 -1.7819643 4 O -2.5505605 -0.0000000 0.0000000 0.0000000 -2.5505605 0.0000000 0.0000000 0.0000000 -1.7819643----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 18 18 18 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.11, Number of G-points: 325, Lambda: 0.22Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/580) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 14.831 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/580) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.533 ( 22.436 12.954 10.572) 27.981 0.649 ( 27.794 16.047 7.425) 32.941 1.121 ( 50.105 28.928 -0.544) 57.858 3.985 ( 1.653 0.954 -0.874) 2.099 4.076 ( 7.982 4.609 0.319) 9.223 7.189 ( -0.582 -0.336 3.456) 3.521 8.166 ( 4.415 2.549 0.611) 5.134 10.658 ( -16.033 -9.257 -7.125) 19.837 11.648 ( -2.323 -1.341 -0.398) 2.712 11.861 ( 15.069 8.700 -13.736) 22.168 14.749 ( -7.260 -4.192 0.801) 8.421 16.513 ( 1.577 0.910 -17.057) 17.154======================= Grid point 2 (3/580) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 22.753 13.136 9.533) 27.948 1.282 ( 26.688 15.408 7.013) 31.605 2.219 ( 48.512 28.009 -0.612) 56.021 4.034 ( 3.100 1.790 -1.616) 3.927 4.328 ( 14.015 8.091 0.884) 16.207 7.182 ( -0.795 -0.459 0.988) 1.348 8.315 ( 8.585 4.956 1.114) 9.975 10.246 ( -18.815 -10.863 1.315) 21.765 11.574 ( -3.922 -2.264 -0.737) 4.588 12.150 ( 14.224 8.212 -14.834) 22.132 14.528 ( -12.822 -7.403 3.171) 15.141 16.464 ( -2.392 -1.381 -8.533) 8.969======================= Grid point 3 (4/580) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 22.335 12.895 8.222) 27.070 1.877 ( 24.624 14.217 6.288) 29.121 3.265 ( 45.343 26.179 -0.842) 52.364 4.109 ( 4.145 2.393 -2.131) 5.239 4.686 ( 17.312 9.995 1.382) 20.038 7.153 ( -2.029 -1.172 -0.670) 2.437 8.550 ( 12.003 6.930 1.446) 13.935 9.869 ( -14.986 -8.652 3.042) 17.570 11.478 ( -4.211 -2.431 -0.962) 4.956 12.369 ( 9.346 5.396 -13.981) 17.662 14.218 ( -16.293 -9.407 7.499) 20.253 16.343 ( -5.823 -3.362 -8.730) 11.019======================= Grid point 4 (5/580) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( 20.425 11.793 6.867) 24.565 2.413 ( 21.527 12.429 5.246) 25.405 4.200 ( 4.636 2.677 -2.370) 5.855 4.216 ( 40.050 23.123 -1.370) 46.266 5.089 ( 18.097 10.449 1.727) 20.968 7.081 ( -4.150 -2.396 -2.049) 5.211 8.847 ( 13.873 8.009 1.607) 16.099 9.625 ( -7.587 -4.380 3.725) 9.520 11.393 ( -2.904 -1.677 -1.042) 3.512 12.450 ( 1.817 1.049 -14.624) 14.774 13.868 ( -18.036 -10.413 13.486) 24.811 16.160 ( -7.008 -4.046 -10.989) 13.647======================= Grid point 5 (6/580) =======================q-point: ( 0.28 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.548 ( 16.869 9.740 5.537) 20.251 2.865 ( 17.588 10.155 3.979) 20.695 4.295 ( 4.509 2.603 -2.321) 5.700 5.022 ( 32.446 18.733 -1.973) 37.518 5.489 ( 17.124 9.887 1.480) 19.829 6.955 ( -6.300 -3.637 -2.554) 7.710 9.162 ( 13.458 7.770 1.620) 15.625 9.569 ( 1.556 0.898 3.726) 4.136 11.352 ( -0.252 -0.146 -0.982) 1.024 12.339 ( -6.826 -3.941 -16.927) 18.672 13.504 ( -19.920 -11.501 18.232) 29.351 15.989 ( -4.159 -2.401 -11.416) 12.385======================= Grid point 6 (7/580) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.890 ( 12.252 7.073 4.223) 14.764 3.219 ( 13.199 7.621 2.685) 15.476 4.382 ( 3.816 2.203 -2.004) 4.841 5.635 ( 22.919 13.232 -1.109) 26.488 5.854 ( 15.370 8.874 -0.890) 17.770 6.795 ( -7.128 -4.115 -1.666) 8.397 9.440 ( 10.787 6.228 1.473) 12.542 9.713 ( 9.962 5.752 2.999) 11.888 11.377 ( 2.662 1.537 -0.809) 3.179 12.061 ( -11.885 -6.862 -17.724) 22.416 13.082 ( -23.712 -13.690 17.619) 32.559 15.919 ( 0.905 0.522 -8.326) 8.392======================= Grid point 7 (8/580) =======================q-point: ( 0.39 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.122 ( 7.541 4.354 2.879) 9.172 3.470 ( 8.721 5.035 1.563) 10.190 4.449 ( 2.719 1.570 -1.466) 3.465 6.035 ( 13.049 7.534 2.582) 15.287 6.158 ( 12.688 7.325 -6.528) 16.039 6.643 ( -5.985 -3.455 0.650) 6.941 9.643 ( 6.994 4.038 1.132) 8.154 10.011 ( 15.406 8.895 1.988) 17.900 11.454 ( 4.084 2.358 -0.557) 4.749 11.738 ( -10.946 -6.320 -16.154) 20.511 12.572 ( -26.291 -15.179 13.859) 33.372 15.957 ( 3.787 2.187 -4.144) 6.025======================= Grid point 8 (9/580) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.250 ( 3.458 1.997 1.467) 4.254 3.619 ( 4.322 2.495 0.694) 5.038 4.491 ( 1.401 0.809 -0.772) 1.793 6.250 ( 5.729 3.308 2.144) 6.954 6.353 ( 6.655 3.842 -7.063) 10.437 6.548 ( -2.863 -1.653 2.958) 4.436 9.760 ( 3.309 1.910 0.614) 3.870 10.369 ( 14.715 8.496 1.218) 17.035 11.511 ( -3.925 -2.266 -13.034) 13.800 11.536 ( 2.960 1.709 -0.277) 3.429 12.045 ( -23.426 -13.525 10.578) 29.045 16.030 ( 3.013 1.740 -1.386) 3.745======================= Grid point 9 (10/580) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 775Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.290 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 6.313 ( -0.000 -0.000 -0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 -0.000) 0.000 9.798 ( 0.000 0.000 -0.000) 0.000 10.564 ( 0.000 0.000 -0.000) 0.000 11.482 ( 0.000 0.000 -0.000) 0.000 11.570 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000======================= Grid point 20 (11/580) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( -0.000 23.426 14.989) 27.811 0.615 ( 0.000 31.285 0.932) 31.299 1.169 ( -0.000 57.056 8.765) 57.725 3.990 ( 0.000 2.231 0.167) 2.237 4.068 ( 0.000 8.992 -1.271) 9.081 7.202 ( -0.000 -2.575 5.842) 6.384 8.162 ( 0.000 4.863 -0.280) 4.871 10.584 ( 0.000 -11.699 -21.132) 24.154 11.651 ( -0.000 -2.530 0.143) 2.534 11.852 ( 0.000 19.362 -14.086) 23.944 14.751 ( -0.000 -8.506 1.148) 8.583 16.422 ( 0.000 9.563 -31.117) 32.554======================= Grid point 21 (12/580) =======================q-point: ( 0.11 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.938 ( 13.499 19.303 13.511) 27.155 1.128 ( 19.658 25.974 3.589) 32.771 1.959 ( 25.187 49.549 4.795) 55.789 4.024 ( 0.988 3.655 -0.758) 3.861 4.238 ( 7.964 11.882 -0.396) 14.309 7.191 ( -0.534 -1.358 2.034) 2.503 8.264 ( 5.016 7.266 0.368) 8.837 10.331 ( -7.713 -18.299 -4.368) 20.333 11.590 ( -2.687 -3.567 -0.432) 4.487 12.043 ( 6.121 17.758 -17.230) 25.490 14.604 ( -6.170 -11.847 2.855) 13.659 16.427 ( 1.266 1.400 -15.533) 15.647======================= Grid point 22 (13/580) =======================q-point: ( 0.17 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( 18.283 15.665 11.073) 26.500 1.720 ( 20.320 23.662 4.643) 31.533 2.908 ( 33.710 40.507 1.770) 52.729 4.089 ( 2.149 5.116 -1.592) 5.773 4.540 ( 13.251 13.044 0.629) 18.604 7.167 ( -1.308 -1.494 -0.135) 1.990 8.465 ( 8.705 9.840 1.123) 13.185 9.993 ( -11.311 -15.101 1.257) 18.909 11.503 ( -2.931 -3.792 -0.835) 4.865 12.243 ( 7.283 11.121 -17.341) 21.850 14.353 ( -10.443 -13.876 6.513) 18.548 16.360 ( -3.424 -2.378 -10.682) 11.466======================= Grid point 23 (14/580) =======================q-point: ( 0.22 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 19.335 12.687 8.652) 24.691 2.280 ( 18.132 22.130 4.288) 28.929 3.840 ( 34.526 31.931 -0.569) 47.032 4.183 ( 3.011 7.275 -1.564) 8.027 4.917 ( 16.021 12.658 1.465) 20.470 7.110 ( -2.988 -2.466 -1.692) 4.228 8.743 ( 11.069 11.903 1.680) 16.341 9.712 ( -8.327 -9.107 2.895) 12.675 11.421 ( -2.803 -2.224 -0.979) 3.710 12.357 ( 4.249 3.395 -17.114) 17.957 14.048 ( -12.823 -14.813 11.906) 22.926 16.202 ( -6.978 -3.920 -11.227) 13.788======================= Grid point 24 (15/580) =======================q-point: ( 0.28 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.355 ( 18.091 9.338 6.518) 21.377 2.772 ( 14.478 20.447 3.263) 25.265 4.272 ( 3.456 6.834 -2.999) 8.224 4.692 ( 30.637 25.867 -0.902) 40.106 5.313 ( 16.533 11.309 1.983) 20.129 7.006 ( -5.056 -3.734 -2.404) 6.729 9.060 ( 11.448 12.637 2.140) 17.186 9.582 ( -1.605 -1.989 3.142) 4.050 11.370 ( -1.700 0.425 -0.990) 2.012 12.315 ( -2.223 -3.773 -18.338) 18.853 13.725 ( -14.647 -15.393 17.251) 27.369 16.006 ( -6.330 -3.556 -12.159) 14.162======================= Grid point 25 (16/580) =======================q-point: ( 0.33 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.726 ( 15.154 5.788 4.568) 16.853 3.173 ( 9.922 18.319 2.040) 20.933 4.377 ( 2.037 7.522 -2.436) 8.165 5.368 ( 25.107 18.014 -2.608) 31.011 5.688 ( 15.261 9.651 1.566) 18.125 6.861 ( -6.380 -4.441 -1.597) 7.936 9.366 ( 9.779 11.690 2.555) 15.453 9.644 ( 5.858 5.126 2.224) 8.096 11.369 ( 0.159 2.667 -0.906) 2.821 12.100 ( -8.233 -7.796 -19.113) 22.223 13.357 ( -18.835 -16.510 18.314) 31.028 15.875 ( -0.954 -2.042 -10.105) 10.353======================= Grid point 26 (17/580) =======================q-point: ( 0.39 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.999 ( 11.262 2.600 2.669) 11.862 3.468 ( 5.171 15.667 0.995) 16.528 4.466 ( 0.562 7.914 -1.805) 8.137 5.855 ( 17.921 10.334 -2.640) 20.855 6.009 ( 12.504 7.899 -1.234) 14.841 6.711 ( -6.066 -4.075 1.162) 7.400 9.624 ( 6.464 11.602 2.378) 13.492 9.870 ( 11.756 9.001 1.002) 14.840 11.402 ( 1.202 0.313 -1.508) 1.954 11.813 ( -9.228 -4.790 -17.006) 19.932 12.893 ( -23.902 -16.875 15.021) 32.889 15.867 ( 4.684 -1.428 -5.771) 7.569======================= Grid point 27 (18/580) =======================q-point: ( 0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.171 ( 7.168 0.063 0.740) 7.206 3.657 ( 0.799 12.770 0.379) 12.801 4.533 ( -1.210 7.955 -1.037) 8.113 6.156 ( 10.698 4.635 -1.480) 11.753 6.235 ( 8.393 5.053 -6.570) 11.796 6.603 ( -4.016 -2.997 6.245) 8.007 9.809 ( 0.800 12.432 1.629) 12.563 10.198 ( 15.677 9.326 0.100) 18.241 11.341 ( -0.237 -11.044 -6.803) 12.973 11.673 ( -3.756 7.582 -8.567) 12.041 12.366 ( -25.263 -14.147 11.524) 31.163 15.936 ( 6.575 -2.547 -2.295) 7.415======================= Grid point 28 (19/580) =======================q-point: ( 0.50 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.248 ( 3.394 -2.025 -1.151) 4.117 3.747 ( -3.229 10.131 0.152) 10.634 4.571 ( -3.048 7.537 -0.237) 8.133 6.298 ( 3.068 1.409 0.758) 3.460 6.341 ( 4.908 1.532 -12.847) 13.838 6.563 ( -1.789 -2.445 11.866) 12.247 9.900 ( -4.511 12.051 0.762) 12.890 10.505 ( 9.574 4.892 -0.426) 10.760 11.243 ( 6.445 -11.499 -6.177) 14.557 11.689 ( -1.255 6.344 -4.702) 7.996 11.924 ( -18.762 -2.861 8.847) 20.940 15.997 ( 4.988 -4.592 -0.535) 6.801======================= Grid point 29 (20/580) =======================q-point: (-0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.240 ( -0.073 -4.114 -2.816) 4.987 3.746 ( -7.379 7.993 -0.027) 10.879 4.575 ( -4.701 6.606 0.551) 8.127 6.282 ( -3.017 -3.151 -4.163) 6.030 6.380 ( 1.876 0.765 -5.525) 5.885 6.549 ( -1.717 -2.537 11.201) 11.613 9.896 ( -8.576 9.458 -0.152) 12.768 10.502 ( -9.256 -5.355 -1.102) 10.750 11.285 ( 10.637 -10.201 2.000) 14.872 11.746 ( -1.422 2.305 6.325) 6.881 11.840 ( 5.929 16.138 -7.501) 18.758 16.003 ( 2.065 -6.299 0.608) 6.656======================= Grid point 30 (21/580) =======================q-point: (-0.39 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.146 ( -3.735 -6.445 -4.110) 8.507 3.652 ( -11.980 6.074 -0.518) 13.442 4.545 ( -6.022 5.280 1.305) 8.115 6.124 ( -7.938 -6.634 -6.324) 12.125 6.312 ( -9.036 -4.814 6.326) 12.035 6.582 ( 4.239 1.544 2.818) 5.319 9.796 ( -11.345 4.769 -0.939) 12.342 10.191 ( -16.510 -7.949 -1.180) 18.363 11.392 ( 7.831 -5.343 3.186) 10.001 11.773 ( -0.853 7.734 10.948) 13.431 12.243 ( 23.529 14.056 -12.551) 30.145 15.961 ( 0.119 -6.375 2.557) 6.869======================= Grid point 31 (22/580) =======================q-point: (-0.33 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.960 ( -8.034 -8.775 -5.027) 12.916 3.456 ( -16.931 3.847 -1.395) 17.419 4.485 ( -6.962 3.788 1.937) 8.159 5.841 ( -14.899 -9.631 -4.657) 18.341 6.049 ( -16.462 -8.197 6.041) 19.357 6.715 ( 7.273 3.253 1.935) 8.199 9.604 ( -13.222 -0.758 -1.613) 13.341 9.857 ( -14.695 -4.573 -1.515) 15.464 11.412 ( -1.569 -0.827 0.458) 1.832 11.983 ( 10.712 6.122 16.100) 20.284 12.733 ( 25.084 11.349 -16.321) 32.006 15.926 ( 0.858 -3.988 5.830) 7.115======================= Grid point 32 (23/580) =======================q-point: (-0.28 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.673 ( -12.911 -10.554 -5.644) 17.605 3.150 ( -21.774 1.170 -2.447) 21.942 4.401 ( -7.469 2.343 2.327) 8.166 5.380 ( -26.833 -12.864 -0.446) 29.760 5.685 ( -17.779 -9.014 1.054) 19.961 6.881 ( 7.515 3.183 2.338) 8.489 9.344 ( -14.654 -3.271 -1.753) 15.117 9.621 ( -8.542 -1.607 -2.299) 8.991 11.376 ( -2.122 1.066 0.367) 2.403 12.279 ( 10.866 3.457 15.842) 19.519 13.172 ( 23.326 8.126 -17.696) 30.385 15.972 ( 4.087 0.033 8.869) 9.765======================= Grid point 33 (24/580) =======================q-point: (-0.22 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.291 ( -17.752 -11.253 -5.949) 21.844 2.739 ( -26.002 -1.468 -3.352) 26.258 4.300 ( -7.503 0.994 2.516) 7.976 4.702 ( -37.930 -14.693 0.880) 40.686 5.297 ( -18.358 -8.674 -1.118) 20.335 7.028 ( 5.764 2.212 2.013) 6.494 9.042 ( -16.482 -3.763 -1.439) 16.967 9.552 ( 1.903 1.139 -2.845) 3.608 11.378 ( 0.700 1.560 0.575) 1.804 12.472 ( 4.020 -0.172 12.141) 12.790 13.565 ( 22.145 6.423 -13.605) 26.773 16.114 ( 6.944 2.922 9.112) 11.823======================= Grid point 34 (25/580) =======================q-point: (-0.17 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.833 ( -21.742 -10.446 -5.728) 24.792 2.239 ( -29.359 -3.286 -3.744) 29.778 3.850 ( -46.086 -14.594 1.466) 48.364 4.199 ( -6.958 0.488 1.500) 7.134 4.903 ( -18.899 -7.206 -1.232) 20.264 7.124 ( 3.229 1.016 1.003) 3.531 8.729 ( -15.792 -3.470 -1.137) 16.209 9.685 ( 11.917 3.583 -2.461) 12.685 11.429 ( 3.448 1.164 0.638) 3.695 12.491 ( -4.174 -2.265 8.683) 9.897 13.948 ( 21.031 5.260 -7.336) 22.886 16.293 ( 7.031 3.039 6.575) 10.094======================= Grid point 35 (26/580) =======================q-point: (-0.11 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( -24.483 -7.484 -4.372) 25.972 1.681 ( -31.812 -3.414 -3.074) 32.141 2.903 ( -52.407 -10.542 0.863) 53.464 4.103 ( -5.412 -0.006 1.039) 5.511 4.533 ( -17.799 -4.297 -0.741) 18.325 7.168 ( 1.298 0.218 0.017) 1.316 8.456 ( -12.858 -2.155 -0.694) 13.056 9.979 ( 19.135 3.743 -1.434) 19.551 11.510 ( 4.807 0.378 0.476) 4.845 12.365 ( -11.072 -1.970 6.100) 12.794 14.305 ( 18.380 3.204 -2.629) 18.842 16.434 ( 5.018 1.434 3.438) 6.250======================= Grid point 36 (27/580) =======================q-point: (-0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( -25.935 0.000 0.000) 25.935 1.110 ( -33.123 0.000 0.000) 33.123 1.934 ( -56.436 0.000 0.000) 56.436 4.028 ( -3.641 0.000 0.000) 3.641 4.240 ( -14.156 0.000 0.000) 14.156 7.180 ( 0.335 -0.000 -0.000) 0.335 8.262 ( -8.775 0.000 0.000) 8.775 10.353 ( 22.541 -0.000 -0.000) 22.541 11.592 ( 4.446 -0.000 -0.000) 4.446 12.135 ( -16.158 0.000 0.000) 16.158 14.589 ( 13.778 -0.000 -0.000) 13.778 16.512 ( 2.868 -0.000 -0.000) 2.868======================= Grid point 39 (28/580) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( -0.000 22.886 12.597) 26.124 1.214 ( 0.000 30.109 0.690) 30.117 2.307 ( -0.000 54.893 7.295) 55.376 4.053 ( 0.000 4.097 0.254) 4.105 4.302 ( 0.000 15.934 -1.538) 16.008 7.186 ( -0.000 -1.620 1.378) 2.127 8.300 ( 0.000 9.676 -0.278) 9.680 10.178 ( 0.000 -19.664 -5.046) 20.301 11.584 ( -0.000 -4.347 0.149) 4.350 12.121 ( 0.000 17.795 -16.673) 24.385 14.532 ( -0.000 -15.445 3.503) 15.837 16.381 ( 0.000 2.310 -14.921) 15.099======================= Grid point 40 (29/580) =======================q-point: ( 0.17 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 7.702 20.541 11.322) 24.687 1.659 ( 16.158 27.068 1.144) 31.544 2.966 ( 14.045 50.071 4.753) 52.220 4.110 ( 1.440 5.507 -0.275) 5.699 4.518 ( 6.505 17.323 -0.633) 18.515 7.168 ( -0.706 -1.722 0.013) 1.861 8.452 ( 5.523 11.969 0.341) 13.187 9.950 ( -3.634 -18.279 -1.273) 18.680 11.512 ( -2.761 -4.165 -0.354) 5.010 12.233 ( 1.762 12.995 -17.687) 22.019 14.346 ( -4.616 -17.645 6.102) 19.232 16.343 ( -1.109 -0.768 -11.353) 11.433======================= Grid point 41 (30/580) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( 12.883 16.456 9.638) 23.014 2.213 ( 18.587 24.827 1.439) 31.047 3.721 ( 21.139 40.785 0.798) 45.945 4.211 ( 3.074 8.442 -0.273) 8.988 4.831 ( 10.840 16.566 0.828) 19.814 7.124 ( -2.095 -2.487 -1.242) 3.481 8.707 ( 9.141 14.265 1.423) 17.002 9.723 ( -4.628 -12.780 1.092) 13.636 11.432 ( -2.000 -2.823 -0.966) 3.592 12.291 ( 1.344 5.501 -18.346) 19.200 14.093 ( -7.603 -18.640 10.422) 22.669 16.235 ( -5.255 -3.063 -10.507) 12.140======================= Grid point 42 (31/580) =======================q-point: ( 0.28 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.205 ( 14.519 12.157 7.437) 20.344 2.745 ( 16.176 23.586 1.219) 28.626 4.265 ( 6.656 12.358 -5.062) 14.921 4.535 ( 20.202 28.984 2.250) 35.402 5.191 ( 13.139 14.783 2.120) 19.892 7.038 ( -3.983 -3.646 -1.913) 5.729 9.026 ( 10.302 15.478 2.723) 18.791 9.586 ( -1.403 -4.612 1.618) 5.085 11.392 ( -0.660 0.089 -1.231) 1.400 12.243 ( -1.462 -2.664 -19.383) 19.620 13.813 ( -9.416 -19.066 15.328) 26.212 16.051 ( -7.731 -3.685 -11.127) 14.041======================= Grid point 43 (32/580) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.561 ( 13.787 7.780 5.148) 16.647 3.205 ( 11.619 22.478 0.556) 25.309 4.419 ( 2.699 10.644 -3.791) 11.616 5.157 ( 21.816 21.638 -1.376) 30.758 5.557 ( 13.413 12.942 2.529) 18.810 6.912 ( -5.489 -4.376 -1.274) 7.135 9.341 ( 8.989 12.729 4.269) 16.157 9.620 ( 4.469 6.248 0.291) 7.687 11.404 ( 0.002 3.884 -1.145) 4.049 12.061 ( -5.264 -8.577 -20.278) 22.638 13.505 ( -12.397 -19.675 17.826) 29.302 15.864 ( -5.256 -3.282 -10.337) 12.052======================= Grid point 44 (33/580) =======================q-point: ( 0.39 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.843 ( 11.612 3.690 2.827) 12.507 3.564 ( 6.019 21.083 -0.094) 21.925 4.546 ( 0.962 11.687 -3.030) 12.112 5.647 ( 18.279 11.952 -2.815) 22.021 5.890 ( 11.616 10.579 0.913) 15.738 6.774 ( -5.736 -4.081 1.148) 7.132 9.609 ( 9.670 9.690 4.075) 14.284 9.830 ( 6.764 14.743 -0.700) 16.235 11.430 ( -2.710 3.368 -1.884) 4.716 11.814 ( -4.705 -7.040 -18.331) 20.192 13.122 ( -17.782 -19.554 15.923) 30.856 15.765 ( 1.093 -3.584 -6.974) 7.917======================= Grid point 45 (34/580) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.038 ( 8.716 0.235 0.495) 8.733 3.811 ( 0.387 19.378 -0.304) 19.384 4.653 ( -1.172 12.389 -2.054) 12.612 5.986 ( 13.786 5.795 -4.347) 15.574 6.137 ( 8.128 6.107 -1.614) 10.294 6.663 ( -4.444 -3.166 5.434) 7.701 9.894 ( 9.335 12.694 3.236) 16.086 10.087 ( 7.364 14.890 -1.782) 16.706 11.287 ( -7.610 -8.513 -7.994) 13.939 11.738 ( 0.226 5.738 -8.739) 10.457 12.658 ( -21.619 -16.297 12.053) 29.635 15.772 ( 6.281 -5.533 -3.235) 8.974======================= Grid point 46 (35/580) =======================q-point: ( 0.50 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.144 ( 5.556 -2.442 -1.681) 6.298 3.952 ( -4.526 17.534 0.015) 18.109 4.728 ( -3.686 12.472 -0.992) 13.043 6.192 ( 8.691 2.882 -10.170) 13.684 6.267 ( 4.004 1.211 -0.335) 4.196 6.606 ( -2.145 -3.012 10.684) 11.306 10.133 ( -1.369 18.691 2.673) 18.930 10.364 ( 12.172 9.145 -3.133) 15.544 11.068 ( -1.862 -11.087 -7.134) 13.314 11.758 ( -3.248 3.212 -3.353) 5.667 12.232 ( -18.039 -4.990 7.575) 20.191 15.821 ( 7.717 -8.210 -1.026) 11.314======================= Grid point 47 (36/580) =======================q-point: (-0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.167 ( 2.274 -4.439 -3.417) 6.046 4.001 ( -8.820 15.567 0.441) 17.897 4.761 ( -6.203 11.807 0.049) 13.337 6.241 ( 1.431 -2.649 -12.755) 13.106 6.332 ( 3.102 1.759 0.232) 3.573 6.590 ( -1.353 -4.056 13.574) 14.232 10.205 ( -11.740 17.417 0.308) 21.007 10.546 ( 1.288 0.542 -1.992) 2.433 11.022 ( 9.386 -7.368 -1.989) 12.097 11.689 ( 0.403 -1.544 0.505) 1.673 12.065 ( -8.912 9.886 1.209) 13.365 15.850 ( 6.465 -10.168 0.055) 12.049======================= Grid point 48 (37/580) =======================q-point: (-0.39 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.111 ( -1.298 -5.973 -4.515) 7.599 3.959 ( -13.102 13.185 0.421) 18.593 4.749 ( -8.310 10.447 1.063) 13.391 6.132 ( -3.960 -6.749 -9.474) 12.288 6.381 ( -0.533 0.168 0.686) 0.884 6.569 ( -0.673 -3.006 10.538) 10.979 10.089 ( -15.890 7.858 -1.567) 17.796 10.396 ( -14.092 -3.080 -0.043) 14.424 11.185 ( 12.916 -0.767 3.593) 13.428 11.825 ( 9.355 2.945 2.949) 10.241 12.085 ( 1.871 12.206 -5.976) 13.719 15.845 ( 4.786 -10.101 1.299) 11.252======================= Grid point 49 (38/580) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.977 ( -5.420 -7.113 -4.976) 10.234 3.815 ( -17.730 10.076 -0.181) 20.394 4.694 ( -9.780 8.548 1.922) 13.131 5.923 ( -8.541 -8.896 -7.568) 14.469 6.254 ( -12.481 -5.492 6.252) 15.001 6.635 ( 5.909 1.598 3.330) 6.968 9.837 ( -16.239 -1.574 -2.146) 16.456 10.114 ( -17.610 1.248 0.561) 17.663 11.391 ( 6.099 3.942 2.262) 7.607 11.958 ( 3.862 3.100 12.538) 13.480 12.378 ( 21.440 8.720 -15.168) 27.673 15.843 ( 4.594 -7.306 3.427) 9.286======================= Grid point 50 (39/580) =======================q-point: (-0.28 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.759 ( -10.146 -7.634 -4.888) 13.606 3.557 ( -22.465 6.408 -0.992) 23.382 4.603 ( -10.519 6.255 2.357) 12.463 5.618 ( -15.429 -9.529 -5.019) 18.816 5.935 ( -19.741 -7.053 4.741) 21.492 6.784 ( 7.984 2.280 2.031) 8.549 9.544 ( -14.083 -3.567 -2.119) 14.681 9.839 ( -17.191 2.032 0.027) 17.311 11.445 ( -3.270 4.049 -0.257) 5.211 12.168 ( 11.243 1.965 15.078) 18.910 12.777 ( 24.233 5.009 -16.508) 29.746 15.898 ( 6.293 -2.759 5.575) 8.849======================= Grid point 51 (40/580) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( -15.179 -7.062 -4.231) 17.267 3.186 ( -26.709 2.911 -1.512) 26.910 4.483 ( -10.433 3.769 2.238) 11.317 5.157 ( -28.584 -8.818 -1.443) 29.948 5.538 ( -19.959 -6.349 0.956) 20.967 6.942 ( 7.503 1.681 1.514) 7.837 9.281 ( -14.511 -1.982 -1.513) 14.724 9.610 ( -9.947 0.864 -0.815) 10.018 11.414 ( -3.028 2.354 -0.157) 3.838 12.400 ( 8.788 -0.004 10.330) 13.562 13.175 ( 24.625 3.231 -11.914) 27.546 16.033 ( 8.209 0.768 5.785) 10.071======================= Grid point 52 (41/580) =======================q-point: (-0.17 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( -19.872 -4.759 -2.752) 20.619 2.721 ( -29.954 0.463 -1.333) 29.987 4.346 ( -9.868 1.443 2.149) 10.202 4.496 ( -40.422 -5.979 -0.731) 40.868 5.164 ( -19.126 -3.827 -0.443) 19.510 7.066 ( 5.268 0.710 0.729) 5.365 8.990 ( -17.688 -1.054 -0.642) 17.731 9.561 ( 3.496 0.854 -1.002) 3.736 11.406 ( 0.341 0.846 0.107) 0.918 12.513 ( 2.319 -0.905 4.492) 5.136 13.582 ( 24.184 2.072 -4.990) 24.780 16.204 ( 8.423 1.418 3.470) 9.219======================= Grid point 53 (42/580) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( -23.352 0.000 0.000) 23.352 2.200 ( -31.881 0.000 0.000) 31.881 3.709 ( -48.670 0.000 0.000) 48.670 4.215 ( -7.589 0.000 0.000) 7.589 4.823 ( -19.198 0.000 0.000) 19.198 7.137 ( 2.804 -0.000 -0.000) 2.804 8.692 ( -16.496 0.000 0.000) 16.496 9.714 ( 13.510 -0.000 -0.000) 13.510 11.442 ( 3.338 -0.000 -0.000) 3.338 12.497 ( -4.496 0.000 0.000) 4.496 13.974 ( 22.147 -0.000 -0.000) 22.147 16.347 ( 6.957 -0.000 -0.000) 6.957======================= Grid point 58 (43/580) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( -0.000 21.201 9.159) 23.095 1.780 ( 0.000 28.105 0.499) 28.110 3.365 ( 0.000 50.121 4.157) 50.293 4.147 ( 0.000 5.312 0.209) 5.316 4.649 ( 0.000 20.628 -0.524) 20.635 7.156 ( 0.000 -1.932 -0.341) 1.962 8.529 ( 0.000 13.947 0.146) 13.948 9.798 ( -0.000 -16.842 -1.038) 16.874 11.493 ( -0.000 -4.898 -0.092) 4.898 12.275 ( 0.000 9.871 -18.820) 21.251 14.222 ( -0.000 -19.997 7.390) 21.319 16.311 ( 0.000 -0.670 -10.050) 10.072======================= Grid point 59 (44/580) =======================q-point: ( 0.22 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 4.758 18.658 7.963) 20.837 2.175 ( 13.858 25.760 0.123) 29.252 3.902 ( 7.580 43.340 0.495) 44.001 4.230 ( 3.451 7.220 0.475) 8.016 4.894 ( 4.251 21.631 1.146) 22.074 7.124 ( -1.218 -2.572 -0.926) 2.993 8.726 ( 6.063 15.707 0.961) 16.864 9.642 ( -0.944 -12.538 0.326) 12.577 11.429 ( -1.650 -3.856 -0.740) 4.259 12.275 ( -0.590 4.110 -19.901) 20.329 14.024 ( -3.221 -21.074 10.330) 23.689 16.246 ( -2.913 -2.021 -9.108) 9.774======================= Grid point 60 (45/580) =======================q-point: ( 0.28 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.162 ( 8.789 14.363 6.659) 18.108 2.686 ( 17.717 23.565 -0.270) 29.484 4.288 ( 4.117 14.463 -4.581) 15.720 4.539 ( 13.803 27.970 1.361) 31.220 5.204 ( 6.841 21.454 3.231) 22.749 7.056 ( -2.947 -3.523 -1.255) 4.761 9.025 ( 9.507 16.775 2.754) 19.477 9.548 ( 0.496 -5.195 0.726) 5.269 11.382 ( 0.135 -1.517 -1.787) 2.348 12.190 ( -2.624 -2.458 -20.413) 20.727 13.787 ( -5.379 -21.515 13.940) 26.195 16.108 ( -6.802 -3.039 -9.225) 11.858======================= Grid point 61 (46/580) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( 10.294 9.625 4.691) 14.853 3.192 ( 16.039 22.345 -0.531) 27.510 4.457 ( 3.986 11.733 -4.621) 13.225 5.040 ( 16.437 20.491 -1.562) 26.315 5.545 ( 7.856 20.485 4.052) 22.311 6.952 ( -4.526 -4.034 -0.622) 6.094 9.337 ( 7.567 11.815 5.152) 14.947 9.604 ( 6.080 8.172 -0.672) 10.208 11.404 ( 3.122 2.137 -2.549) 4.562 12.000 ( -5.607 -7.942 -20.550) 22.734 13.523 ( -7.435 -22.034 16.476) 28.500 15.915 ( -8.202 -3.323 -9.028) 12.642======================= Grid point 62 (47/580) =======================q-point: ( 0.39 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.713 ( 9.905 5.069 2.411) 11.385 3.634 ( 11.204 21.850 -0.693) 24.565 4.620 ( 3.078 12.813 -4.760) 14.010 5.458 ( 16.434 10.743 -1.887) 19.725 5.865 ( 6.937 16.620 2.253) 18.149 6.833 ( -5.215 -3.513 1.392) 6.440 9.549 ( 7.689 7.206 3.182) 11.008 9.877 ( 8.099 18.394 0.666) 20.109 11.498 ( 2.219 6.854 -2.247) 7.547 11.733 ( -5.482 -10.547 -20.103) 23.355 13.213 ( -11.066 -22.224 16.106) 29.593 15.736 ( -5.013 -3.988 -7.112) 9.571======================= Grid point 63 (48/580) =======================q-point: ( 0.44 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.900 ( 8.380 1.168 0.117) 8.462 3.975 ( 4.708 21.579 -0.534) 22.093 4.771 ( 1.399 13.637 -4.204) 14.339 5.788 ( 14.823 5.063 -2.283) 15.829 6.093 ( 4.774 9.454 -0.313) 10.596 6.729 ( -4.816 -2.426 4.526) 7.040 9.795 ( 11.918 8.964 0.066) 14.913 10.176 ( 5.319 18.691 1.955) 19.531 11.360 ( -12.257 -6.096 -11.872) 18.120 11.714 ( 6.524 6.632 -7.407) 11.892 12.835 ( -15.203 -19.921 13.115) 28.284 15.634 ( 0.942 -6.314 -3.989) 7.528======================= Grid point 64 (49/580) =======================q-point: ( 0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.016 ( 6.249 -1.766 -1.886) 6.762 4.202 ( -1.942 20.954 0.027) 21.044 4.896 ( -1.035 13.979 -2.899) 14.314 6.029 ( 10.779 2.888 -6.672) 13.002 6.213 ( 3.552 2.053 0.602) 4.147 6.657 ( -3.604 -2.427 7.879) 8.997 10.109 ( 14.803 9.725 -3.031) 17.969 10.427 ( 2.768 17.891 3.204) 18.385 11.060 ( -10.917 -6.662 -9.709) 16.056 11.829 ( -0.658 6.439 -3.670) 7.440 12.456 ( -14.240 -11.089 8.465) 19.935 15.607 ( 5.771 -9.741 -1.507) 11.422======================= Grid point 65 (50/580) =======================q-point: ( 0.56 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.064 ( 3.729 -3.660 -3.314) 6.187 4.317 ( -7.667 19.467 0.678) 20.933 4.980 ( -4.321 13.907 -1.105) 14.605 6.130 ( 3.655 -0.775 -13.312) 13.826 6.291 ( 4.315 -0.020 3.660) 5.659 6.613 ( -1.757 -4.140 10.941) 11.829 10.415 ( 11.913 7.094 -5.484) 14.911 10.603 ( -8.305 17.659 2.032) 19.620 10.853 ( 1.303 -6.221 -2.387) 6.789 11.745 ( -8.545 -1.754 0.803) 8.760 12.276 ( -6.714 4.586 1.520) 8.271 15.614 ( 7.846 -12.334 -0.272) 14.620======================= Grid point 66 (51/580) =======================q-point: (-0.39 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.049 ( 0.757 -4.663 -4.020) 6.203 4.326 ( -12.579 16.752 0.885) 20.968 5.009 ( -7.916 13.223 0.807) 15.432 6.068 ( -0.937 -6.602 -11.718) 13.483 6.369 ( 2.790 1.626 0.472) 3.264 6.586 ( -0.996 -5.170 11.843) 12.961 10.426 ( -18.198 2.902 -3.060) 18.680 10.537 ( -1.378 0.508 -2.959) 3.304 11.034 ( 10.740 9.392 7.314) 16.033 11.690 ( 4.728 2.390 -1.923) 5.636 12.233 ( -6.363 6.464 -1.285) 9.161 15.627 ( 8.124 -12.359 0.519) 14.799======================= Grid point 67 (52/580) =======================q-point: (-0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.972 ( -2.840 -4.944 -4.007) 6.969 4.222 ( -17.217 12.652 0.474) 21.371 4.975 ( -10.997 11.470 2.227) 16.045 5.911 ( -4.063 -9.291 -9.092) 13.619 6.379 ( -4.407 -1.650 2.659) 5.406 6.582 ( 2.378 -1.558 6.520) 7.113 10.099 ( -18.809 -3.002 -1.996) 19.151 10.409 ( -12.800 1.594 -0.008) 12.899 11.347 ( 9.226 13.360 7.259) 17.785 11.893 ( 12.819 2.911 -0.091) 13.146 12.188 ( 0.014 2.174 -6.597) 6.946 15.661 ( 8.285 -9.262 1.633) 12.534======================= Grid point 68 (53/580) =======================q-point: (-0.28 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.831 ( -7.097 -4.480 -3.340) 9.033 3.996 ( -21.628 7.685 -0.143) 22.953 4.878 ( -12.854 8.170 2.472) 15.430 5.701 ( -7.735 -8.450 -6.037) 12.949 6.195 ( -14.874 -3.949 4.008) 15.902 6.680 ( 6.948 1.028 2.006) 7.305 9.758 ( -16.840 -3.451 -1.335) 17.242 10.171 ( -17.703 2.417 0.457) 17.873 11.565 ( -2.082 11.301 1.411) 11.578 12.060 ( 7.314 -1.791 13.739) 15.667 12.362 ( 21.911 1.303 -16.182) 27.270 15.746 ( 9.141 -4.464 2.674) 10.518======================= Grid point 69 (54/580) =======================q-point: (-0.22 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( -11.768 -2.983 -2.031) 12.309 3.652 ( -25.462 3.062 -0.416) 25.649 4.725 ( -13.021 3.782 1.525) 13.645 5.441 ( -14.721 -4.869 -2.630) 15.727 5.857 ( -21.797 -2.908 1.881) 22.070 6.825 ( 8.271 0.812 0.812) 8.350 9.478 ( -13.217 -1.673 -0.847) 13.349 9.879 ( -18.790 1.290 0.140) 18.835 11.530 ( -7.641 3.458 -0.374) 8.396 12.259 ( 11.216 -0.463 7.751) 13.642 12.737 ( 25.715 0.872 -8.405) 27.068 15.893 ( 10.002 -0.793 2.335) 10.301======================= Grid point 70 (55/580) =======================q-point: (-0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( -16.296 0.000 0.000) 16.296 3.213 ( -28.367 0.000 0.000) 28.367 4.537 ( -11.657 0.000 0.000) 11.657 5.058 ( -28.762 0.000 0.000) 28.762 5.476 ( -21.030 0.000 0.000) 21.030 6.964 ( 7.442 -0.000 -0.000) 7.442 9.255 ( -13.859 0.000 0.000) 13.859 9.619 ( -10.818 0.000 0.000) 10.818 11.441 ( -4.043 0.000 0.000) 4.043 12.431 ( 7.723 -0.000 -0.000) 7.723 13.162 ( 25.830 -0.000 -0.000) 25.830 16.063 ( 9.755 -0.000 -0.000) 9.755======================= Grid point 77 (56/580) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( -0.000 17.789 5.147) 18.519 2.299 ( 0.000 25.260 0.500) 25.264 4.254 ( 0.000 39.909 -1.911) 39.955 4.256 ( 0.000 5.733 0.042) 5.733 5.097 ( 0.000 25.323 3.082) 25.510 7.105 ( 0.000 -2.948 -0.779) 3.049 8.831 ( 0.000 16.668 0.924) 16.694 9.543 ( -0.000 -8.928 0.923) 8.975 11.403 ( 0.000 -3.921 -0.612) 3.968 12.231 ( 0.000 -0.231 -21.866) 21.868 13.877 ( -0.000 -22.133 11.703) 25.037 16.226 ( 0.000 -1.738 -7.850) 8.040======================= Grid point 78 (57/580) =======================q-point: ( 0.28 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.225 ( 3.068 14.661 3.933) 15.486 2.647 ( 12.299 22.998 -0.078) 26.081 4.333 ( 2.561 7.461 -1.204) 7.979 4.643 ( 6.292 29.953 -4.392) 30.920 5.385 ( 2.090 27.216 5.118) 27.772 7.058 ( -1.674 -3.457 -0.559) 3.881 9.058 ( 6.707 17.181 2.102) 18.563 9.493 ( 1.040 -3.045 1.232) 3.446 11.359 ( -0.581 -2.420 -1.533) 2.923 12.119 ( -1.355 -5.117 -22.319) 22.938 13.683 ( -2.413 -22.569 13.647) 26.484 16.149 ( -4.147 -2.098 -7.384) 8.724======================= Grid point 79 (58/580) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.435 ( 5.899 10.308 2.810) 12.204 3.111 ( 17.228 20.766 -0.682) 26.991 4.474 ( 5.114 9.338 -2.768) 11.001 4.999 ( 9.580 19.318 -4.908) 22.115 5.706 ( 2.732 26.103 5.256) 26.767 6.982 ( -3.340 -3.394 0.270) 4.770 9.353 ( 6.616 12.705 5.022) 15.179 9.567 ( 7.308 8.444 -0.549) 11.181 11.346 ( 2.279 -0.595 -3.439) 4.168 11.939 ( -3.723 -8.160 -20.923) 22.765 13.455 ( -4.436 -23.019 15.106) 27.888 15.998 ( -7.990 -2.471 -7.141) 10.997======================= Grid point 80 (59/580) =======================q-point: ( 0.39 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.630 ( 7.094 5.848 1.165) 9.268 3.593 ( 16.885 19.467 -0.814) 25.782 4.654 ( 5.430 11.716 -4.468) 13.664 5.305 ( 12.057 10.015 -3.182) 15.994 5.989 ( 1.711 20.749 3.206) 21.065 6.892 ( -4.432 -2.162 2.046) 5.338 9.531 ( 4.242 8.072 2.675) 9.503 9.893 ( 11.911 18.092 1.692) 21.727 11.414 ( 7.988 0.370 -6.614) 10.377 11.707 ( -6.997 -6.777 -17.085) 19.667 13.190 ( -6.797 -23.400 15.146) 28.691 15.802 ( -9.106 -3.080 -6.130) 11.401======================= Grid point 81 (60/580) =======================q-point: ( 0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.786 ( 6.929 1.996 -0.595) 7.235 4.029 ( 12.828 19.245 -0.455) 23.133 4.839 ( 3.944 13.348 -5.727) 15.051 5.580 ( 13.925 3.663 -1.164) 14.445 6.168 ( -0.463 12.415 0.635) 12.439 6.812 ( -4.990 -0.327 4.259) 6.569 9.716 ( 7.623 9.765 -1.170) 12.443 10.243 ( 8.127 16.137 3.942) 18.493 11.419 ( -4.962 -7.511 -17.119) 19.341 11.630 ( 7.399 8.504 -4.091) 11.992 12.878 ( -9.670 -22.464 13.513) 27.942 15.612 ( -6.490 -4.933 -4.102) 9.126======================= Grid point 82 (61/580) =======================q-point: ( 0.50 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.895 ( 5.912 -0.834 -2.046) 6.312 4.377 ( 6.015 19.726 0.424) 20.627 4.999 ( 2.260 13.137 -5.770) 14.525 5.832 ( 13.716 1.211 -1.495) 13.850 6.225 ( -1.713 4.094 0.011) 4.438 6.742 ( -5.433 -0.110 5.762) 7.920 9.962 ( 11.417 9.854 -5.515) 16.058 10.498 ( 5.924 9.778 5.923) 12.876 11.195 ( -10.709 0.260 -11.326) 15.589 11.853 ( 6.857 10.474 -5.063) 13.504 12.548 ( -10.056 -17.688 10.548) 22.919 15.470 ( -1.473 -8.333 -1.922) 8.678======================= Grid point 83 (62/580) =======================q-point: ( 0.56 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.955 ( 4.352 -2.510 -2.913) 5.807 4.603 ( -2.274 19.645 1.304) 19.820 5.130 ( 0.948 11.988 -4.038) 12.686 6.021 ( 6.910 1.765 -8.034) 10.743 6.224 ( 1.906 -2.552 4.249) 5.310 6.664 ( -4.901 -2.202 6.874) 8.725 10.227 ( 13.006 6.212 -9.058) 17.023 10.701 ( 8.472 4.374 7.701) 12.256 10.990 ( -14.416 6.128 -5.448) 16.585 11.915 ( -8.486 4.636 -1.133) 9.736 12.365 ( -1.310 -2.655 3.399) 4.507 15.389 ( 3.722 -11.620 -0.517) 12.212======================= Grid point 84 (63/580) =======================q-point: (-0.39 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.973 ( 2.281 -3.144 -3.105) 4.972 4.684 ( -9.668 16.983 1.305) 19.585 5.231 ( -2.134 12.221 -0.464) 12.415 5.993 ( -2.651 -4.592 -10.902) 12.123 6.310 ( 6.414 -0.518 3.148) 7.164 6.594 ( -2.411 -4.329 8.254) 9.627 10.423 ( 9.819 -0.293 -7.359) 12.274 10.720 ( -15.635 0.977 -4.514) 16.303 10.996 ( 10.476 9.001 11.261) 17.821 11.779 ( -9.621 6.712 -1.065) 11.779 12.363 ( -3.233 3.200 -1.068) 4.673 15.369 ( 7.711 -12.121 0.148) 14.367======================= Grid point 85 (64/580) =======================q-point: (-0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.950 ( -0.428 -2.915 -2.644) 3.959 4.617 ( -15.218 11.666 0.683) 19.187 5.275 ( -8.443 12.913 3.115) 15.740 5.833 ( -2.610 -10.113 -9.623) 14.202 6.395 ( 2.135 0.837 0.123) 2.296 6.560 ( 0.129 -3.831 7.303) 8.248 10.393 ( -19.432 -1.768 -2.165) 19.632 10.495 ( 0.900 -1.765 -2.282) 3.022 11.347 ( 14.401 10.554 11.420) 21.194 11.770 ( 0.641 9.693 -6.561) 11.722 12.268 ( -8.274 -2.066 -1.763) 8.709 15.417 ( 10.109 -8.800 0.605) 13.416======================= Grid point 86 (65/580) =======================q-point: (-0.28 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.884 ( -3.845 -1.900 -1.589) 4.574 4.408 ( -19.643 5.396 0.145) 20.371 5.196 ( -14.501 7.988 2.778) 16.787 5.683 ( -1.716 -7.451 -5.377) 9.348 6.362 ( -6.724 -1.169 1.458) 6.979 6.594 ( 4.429 -0.330 2.080) 4.904 10.036 ( -19.746 -1.699 -0.674) 19.830 10.416 ( -9.035 -0.144 -0.233) 9.039 11.715 ( 6.981 15.235 11.425) 20.282 11.931 ( 13.504 3.616 -7.597) 15.911 12.069 ( -4.202 -10.274 -3.657) 11.687 15.539 ( 11.161 -3.712 0.807) 11.790======================= Grid point 87 (66/580) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.775 ( -7.785 0.000 0.000) 7.785 4.075 ( -23.077 0.000 0.000) 23.077 4.984 ( -14.952 0.000 0.000) 14.952 5.579 ( -6.277 0.000 0.000) 6.277 6.168 ( -15.695 0.000 0.000) 15.695 6.697 ( 7.276 -0.000 -0.000) 7.276 9.718 ( -16.882 0.000 0.000) 16.882 10.195 ( -16.892 0.000 0.000) 16.892 11.723 ( -12.200 0.000 0.000) 12.200 12.079 ( 10.983 -0.000 -0.000) 10.983 12.292 ( 25.473 -0.000 -0.000) 25.473 15.712 ( 11.127 -0.000 -0.000) 11.127======================= Grid point 96 (67/580) =======================q-point: ( 0.28 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.345 ( 0.000 12.714 1.043) 12.756 2.756 ( 0.000 21.574 0.668) 21.585 4.364 ( 0.000 5.386 -0.170) 5.388 4.846 ( 0.000 25.359 -7.566) 26.463 5.664 ( -0.000 28.881 5.900) 29.477 7.040 ( -0.000 -3.223 0.214) 3.230 9.167 ( 0.000 16.761 1.797) 16.857 9.480 ( -0.000 1.321 2.144) 2.519 11.342 ( 0.000 -1.574 -1.300) 2.041 11.983 ( 0.000 -8.942 -23.440) 25.088 13.530 ( -0.000 -22.938 13.865) 26.803 16.145 ( 0.000 -1.530 -6.230) 6.415======================= Grid point 97 (68/580) =======================q-point: ( 0.33 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( 2.104 9.360 -0.112) 9.594 3.055 ( 11.242 19.152 0.186) 22.208 4.453 ( 4.593 5.872 -0.756) 7.493 5.060 ( 3.056 18.558 -7.726) 20.333 5.957 ( 0.414 26.237 4.947) 26.702 7.000 ( -1.790 -2.155 1.330) 3.101 9.393 ( 6.208 14.900 3.613) 16.541 9.547 ( 3.556 7.680 0.991) 8.521 11.317 ( -0.868 -0.673 -2.773) 2.983 11.807 ( 0.021 -10.658 -21.706) 24.182 13.336 ( -2.182 -23.193 13.923) 27.138 16.070 ( -4.975 -1.413 -5.596) 7.620======================= Grid point 98 (69/580) =======================q-point: ( 0.39 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.594 ( 4.065 5.578 -0.873) 6.957 3.471 ( 17.093 16.788 -0.341) 23.960 4.622 ( 8.088 7.718 -2.029) 11.362 5.250 ( 5.148 11.434 -5.943) 13.876 6.194 ( -0.692 19.741 2.788) 19.949 6.955 ( -3.235 0.364 2.962) 4.401 9.582 ( 1.651 10.523 3.146) 11.107 9.835 ( 14.611 15.686 1.256) 21.473 11.283 ( 1.542 -3.716 -7.537) 8.544 11.656 ( -0.168 -5.878 -15.541) 16.616 13.104 ( -4.298 -23.233 13.405) 27.165 15.918 ( -9.103 -1.671 -4.826) 10.438======================= Grid point 99 (70/580) =======================q-point: ( 0.44 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.704 ( 5.019 2.243 -1.704) 5.755 3.925 ( 18.305 15.160 -0.336) 23.771 4.843 ( 8.280 10.727 -4.049) 14.143 5.418 ( 8.093 4.311 -2.795) 9.586 6.320 ( -2.876 11.231 0.733) 11.616 6.921 ( -4.645 3.318 4.392) 7.202 9.728 ( 2.890 11.553 -0.817) 11.937 10.232 ( 12.422 13.684 3.749) 18.857 11.258 ( 6.251 -6.596 -13.239) 16.058 11.613 ( 1.785 3.465 -7.139) 8.133 12.837 ( -6.479 -22.371 12.144) 26.266 15.713 ( -10.808 -2.690 -3.542) 11.687======================= Grid point 100 (71/580) =======================q-point: ( 0.50 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.791 ( 5.035 -0.145 -2.300) 5.537 4.357 ( 15.923 14.415 0.345) 21.482 5.052 ( 4.391 12.948 -6.360) 15.079 5.600 ( 12.753 -0.992 0.314) 12.795 6.329 ( -4.794 4.336 0.149) 6.466 6.878 ( -6.743 3.579 4.559) 8.892 9.897 ( 5.678 10.618 -5.631) 13.292 10.486 ( 5.814 4.632 5.430) 9.206 11.273 ( 0.951 3.487 -10.718) 11.311 11.756 ( 11.559 7.010 -4.830) 14.356 12.549 ( -7.885 -19.375 10.407) 23.364 15.494 ( -9.486 -4.921 -1.991) 10.871======================= Grid point 101 (72/580) =======================q-point: ( 0.56 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.854 ( 4.392 -1.444 -2.439) 5.227 4.723 ( 10.103 14.762 1.924) 17.991 5.184 ( 1.044 10.094 -7.016) 12.337 5.828 ( 14.873 -0.707 0.016) 14.890 6.258 ( -5.835 -0.641 1.028) 5.960 6.788 ( -8.350 1.084 4.075) 9.354 10.073 ( 8.335 6.195 -9.037) 13.767 10.618 ( 6.776 0.828 6.273) 9.271 11.239 ( -9.103 7.118 -4.134) 12.273 12.020 ( 7.258 10.130 -5.833) 13.759 12.315 ( -2.247 -12.507 8.223) 15.136 15.302 ( -5.288 -7.710 -0.732) 9.377======================= Grid point 102 (73/580) =======================q-point: ( 0.61 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.894 ( 3.227 -1.749 -2.078) 4.218 4.956 ( -2.048 14.894 2.959) 15.322 5.270 ( 4.948 4.671 -4.918) 8.395 6.012 ( 0.144 3.475 -7.576) 8.336 6.174 ( 4.186 -6.158 6.342) 9.781 6.664 ( -7.163 -1.408 3.808) 8.233 10.228 ( 9.661 0.741 -7.151) 12.043 10.803 ( 9.295 4.961 1.996) 10.724 11.072 ( -13.314 -0.051 2.821) 13.610 12.024 ( -9.316 6.968 -0.461) 11.643 12.365 ( 5.971 0.427 -0.009) 5.986 15.183 ( 1.236 -8.570 -0.057) 8.659======================= Grid point 103 (74/580) =======================q-point: (-0.33 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.914 ( 1.503 -1.228 -1.249) 2.308 4.943 ( -12.015 7.610 0.795) 14.245 5.423 ( 6.443 6.444 0.928) 9.159 5.834 ( -12.401 -4.579 -5.541) 14.334 6.313 ( 8.699 -0.555 1.337) 8.819 6.570 ( -3.271 -1.866 3.092) 4.872 10.364 ( 8.564 -1.055 -2.766) 9.061 10.725 ( -19.533 1.199 -2.021) 19.674 11.138 ( 16.995 0.799 5.543) 17.894 11.952 ( -7.774 8.295 -0.783) 11.395 12.370 ( -5.300 -1.049 -1.053) 5.504 15.191 ( 7.789 -5.317 0.151) 9.432======================= Grid point 104 (75/580) =======================q-point: (-0.28 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.911 ( -0.871 0.000 0.000) 0.871 4.740 ( -16.410 0.000 0.000) 16.410 5.521 ( -16.839 0.000 0.000) 16.839 5.589 ( 5.279 -0.000 -0.000) 5.279 6.403 ( 1.542 -0.000 -0.000) 1.542 6.547 ( 1.021 -0.000 -0.000) 1.021 10.366 ( -19.135 0.000 0.000) 19.135 10.468 ( 0.531 -0.000 -0.000) 0.531 11.483 ( 21.490 -0.000 -0.000) 21.490 11.908 ( -2.587 0.000 0.000) 2.587 12.192 ( -12.847 0.000 0.000) 12.847 15.330 ( 11.166 -0.000 -0.000) 11.166======================= Grid point 115 (76/580) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.530 ( 0.000 7.020 -2.380) 7.412 3.135 ( 0.000 17.068 0.828) 17.088 4.457 ( 0.000 4.435 -0.317) 4.447 5.177 ( 0.000 15.472 -8.114) 17.471 6.206 ( -0.000 22.005 3.435) 22.271 7.011 ( -0.000 0.282 2.546) 2.562 9.481 ( -0.000 13.899 2.369) 14.100 9.613 ( -0.000 10.307 2.501) 10.607 11.329 ( 0.000 1.346 -1.843) 2.282 11.606 ( 0.000 -13.335 -21.575) 25.364 13.176 ( -0.000 -23.061 12.758) 26.355 16.086 ( 0.000 -0.739 -4.598) 4.657======================= Grid point 116 (77/580) =======================q-point: ( 0.39 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.588 ( 1.651 4.240 -3.005) 5.453 3.382 ( 10.619 14.417 0.477) 17.912 4.549 ( 6.117 4.470 -0.618) 7.601 5.291 ( 1.176 11.176 -6.968) 13.222 6.386 ( -0.975 14.656 1.507) 14.766 7.028 ( -1.654 4.040 3.718) 5.734 9.675 ( 4.126 12.211 3.983) 13.491 9.770 ( 6.838 13.313 0.489) 14.974 11.250 ( -5.669 -5.516 -8.638) 11.712 11.499 ( 6.178 -5.245 -12.486) 14.885 12.979 ( -2.135 -22.434 11.452) 25.278 16.020 ( -5.573 -0.557 -3.783) 6.759======================= Grid point 117 (78/580) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.648 ( 3.155 1.788 -2.921) 4.657 3.748 ( 17.209 11.831 0.083) 20.883 4.741 ( 11.179 5.690 -1.379) 12.619 5.381 ( 1.855 6.336 -4.813) 8.170 6.462 ( -2.816 7.286 0.322) 7.818 7.054 ( -3.453 6.747 4.091) 8.613 9.830 ( -0.170 13.236 1.021) 13.276 10.114 ( 16.404 11.331 1.670) 20.007 11.079 ( 0.411 -8.967 -10.698) 13.965 11.556 ( 5.096 1.799 -6.642) 8.562 12.753 ( -4.143 -20.755 9.843) 23.341 15.868 ( -10.231 -0.901 -2.812) 10.648======================= Grid point 118 (79/580) =======================q-point: ( 0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.708 ( 3.988 0.111 -2.550) 4.735 4.164 ( 19.680 9.591 0.091) 21.893 5.007 ( 12.599 8.605 -3.071) 15.563 5.447 ( 3.817 0.545 -1.620) 4.182 6.446 ( -4.671 2.763 0.176) 5.430 7.052 ( -6.244 6.003 3.469) 9.330 9.942 ( -0.146 11.458 -3.886) 12.100 10.423 ( 8.460 2.945 3.624) 9.663 11.122 ( 14.590 1.601 -8.155) 16.791 11.641 ( 5.039 2.047 -3.800) 6.635 12.516 ( -5.596 -16.927 7.809) 19.463 15.651 ( -12.869 -1.890 -1.704) 13.118======================= Grid point 119 (80/580) =======================q-point: ( 0.56 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.765 ( 4.124 -0.679 -1.915) 4.597 4.575 ( 19.063 7.605 0.623) 20.533 5.248 ( 3.458 11.478 -5.997) 13.404 5.551 ( 13.393 -4.886 2.331) 14.446 6.368 ( -6.445 0.353 0.392) 6.466 6.975 ( -9.454 3.184 2.453) 10.273 10.019 ( 1.759 6.013 -6.771) 9.225 10.535 ( 5.522 -0.822 4.553) 7.204 11.381 ( 2.788 10.821 -4.541) 12.062 11.791 ( 17.703 -2.225 -1.911) 17.944 12.314 ( -5.456 -9.234 5.244) 11.938 15.404 ( -12.667 -3.195 -0.743) 13.085======================= Grid point 120 (81/580) =======================q-point: ( 0.61 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.819 ( 3.722 -0.671 -1.055) 3.926 4.943 ( 16.545 5.855 1.753) 17.638 5.280 ( -4.599 3.816 -4.280) 7.351 5.817 ( 18.470 -0.559 0.641) 18.489 6.239 ( -8.908 -1.187 0.642) 9.010 6.825 ( -10.832 0.568 1.397) 10.936 10.089 ( 5.363 1.207 -4.296) 6.976 10.673 ( 9.398 1.259 2.567) 9.823 11.320 ( -13.266 2.175 -0.469) 13.451 12.129 ( 16.972 3.505 -4.532) 17.913 12.201 ( -2.190 -3.258 4.979) 6.341 15.187 ( -8.443 -3.270 -0.162) 9.056======================= Grid point 121 (82/580) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( 2.863 -0.000 -0.000) 2.863 5.163 ( -9.162 0.000 0.000) 9.162 5.250 ( 14.623 -0.000 -0.000) 14.623 6.046 ( -13.144 0.000 0.000) 13.144 6.107 ( 15.225 -0.000 -0.000) 15.225 6.663 ( -8.216 0.000 0.000) 8.216 10.205 ( 8.615 -0.000 -0.000) 8.615 10.883 ( 13.966 -0.000 -0.000) 13.966 11.054 ( -18.302 0.000 0.000) 18.302 12.109 ( -6.365 0.000 0.000) 6.365 12.366 ( 6.509 -0.000 -0.000) 6.509 15.094 ( 0.048 -0.000 -0.000) 0.048======================= Grid point 134 (83/580) =======================q-point: ( 0.39 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.595 ( 0.000 2.440 -3.990) 4.676 3.420 ( 0.000 11.829 0.789) 11.855 4.528 ( 0.000 3.104 -0.328) 3.121 5.359 ( 0.000 8.873 -6.226) 10.839 6.509 ( 0.000 8.377 0.461) 8.389 7.110 ( -0.000 7.168 3.757) 8.093 9.721 ( -0.000 9.161 2.241) 9.431 9.885 ( -0.000 15.479 2.243) 15.641 11.211 ( 0.000 -13.603 -16.614) 21.473 11.363 ( 0.000 3.243 -1.829) 3.723 12.823 ( -0.000 -20.827 9.510) 22.895 16.054 ( 0.000 -0.033 -2.959) 2.960======================= Grid point 135 (84/580) =======================q-point: ( 0.44 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.611 ( 1.542 0.938 -3.548) 3.980 3.612 ( 10.347 8.967 0.493) 13.701 4.616 ( 7.284 2.794 -0.420) 7.813 5.413 ( 0.094 5.865 -4.623) 7.469 6.554 ( -1.680 3.900 0.112) 4.248 7.182 ( -1.733 7.567 3.081) 8.352 9.899 ( 9.364 7.691 2.852) 12.449 10.046 ( 1.392 15.075 0.334) 15.143 10.985 ( -3.918 -11.410 -10.997) 16.324 11.455 ( 6.309 2.526 -3.317) 7.562 12.646 ( -2.054 -17.920 7.482) 19.527 15.995 ( -6.009 -0.012 -2.130) 6.376======================= Grid point 136 (85/580) =======================q-point: ( 0.50 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.642 ( 2.877 0.050 -2.429) 3.766 3.923 ( 17.378 6.118 0.187) 18.425 4.820 ( 13.742 3.088 -0.689) 14.102 5.441 ( -0.356 2.717 -2.633) 3.800 6.535 ( -3.514 1.522 0.124) 3.832 7.207 ( -4.152 5.508 2.158) 7.227 10.078 ( -1.937 11.491 -0.149) 11.654 10.271 ( 12.857 3.643 0.371) 13.369 10.876 ( 7.736 -5.157 -5.600) 10.854 11.570 ( 5.309 1.894 -2.662) 6.234 12.468 ( -3.601 -13.114 5.180) 14.552 15.843 ( -11.141 -0.346 -1.256) 11.217======================= Grid point 137 (86/580) =======================q-point: ( 0.56 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.690 ( 3.650 -0.229 -1.171) 3.840 4.290 ( 20.451 3.264 0.102) 20.710 5.119 ( 18.037 3.860 -1.254) 18.488 5.433 ( -1.168 -0.734 -0.406) 1.438 6.471 ( -5.254 0.344 0.148) 5.268 7.155 ( -7.476 2.513 1.147) 7.970 10.084 ( -4.847 5.129 -3.184) 7.742 10.437 ( 6.872 -1.500 2.169) 7.360 11.175 ( 26.384 4.795 -2.596) 26.942 11.621 ( 0.587 -1.917 -0.526) 2.073 12.326 ( -3.485 -5.874 2.437) 7.251 15.618 ( -14.312 -0.686 -0.491) 14.337======================= Grid point 138 (87/580) =======================q-point: (-0.39 -0.61 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.750 ( 3.879 -0.000 -0.000) 3.879 4.651 ( 20.373 -0.000 -0.000) 20.373 5.376 ( -4.011 0.000 0.000) 4.011 5.475 ( 20.855 -0.000 -0.000) 20.855 6.370 ( -7.025 0.000 0.000) 7.025 7.016 ( -10.542 0.000 0.000) 10.542 10.049 ( -0.484 0.000 0.000) 0.484 10.545 ( 6.993 -0.000 -0.000) 6.993 11.524 ( -8.630 0.000 0.000) 8.630 11.701 ( 29.702 -0.000 -0.000) 29.702 12.255 ( -2.820 0.000 0.000) 2.820 15.370 ( -14.073 0.000 0.000) 14.073======================= Grid point 154 (88/580) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.592 ( 0.000 0.234 -2.999) 3.008 3.598 ( 0.000 6.052 0.484) 6.072 4.572 ( 0.000 1.585 -0.203) 1.598 5.448 ( 0.000 3.967 -3.286) 5.152 6.595 ( 0.000 1.878 0.077) 1.879 7.271 ( -0.000 5.936 1.924) 6.240 9.863 ( -0.000 4.301 1.340) 4.505 10.210 ( -0.000 15.913 2.329) 16.083 10.870 ( 0.000 -12.406 -10.073) 15.981 11.414 ( 0.000 2.666 -1.121) 2.892 12.533 ( -0.000 -13.414 5.113) 14.355 16.042 ( 0.000 0.194 -1.426) 1.440======================= Grid point 155 (89/580) =======================q-point: ( 0.50 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.598 ( 1.574 -0.042 -1.555) 2.213 3.731 ( 10.273 3.044 0.206) 10.716 4.650 ( 7.944 0.951 -0.149) 8.002 5.464 ( -0.405 1.802 -1.594) 2.440 6.592 ( -1.890 0.704 0.062) 2.017 7.305 ( -1.887 3.102 0.951) 3.753 10.006 ( 12.198 2.335 0.967) 12.457 10.320 ( -4.897 11.033 0.840) 12.100 10.726 ( 1.213 -8.688 -4.774) 9.987 11.484 ( 5.401 1.357 -0.955) 5.650 12.428 ( -1.960 -7.244 2.623) 7.950 15.987 ( -6.253 0.069 -0.681) 6.290======================= Grid point 156 (90/580) =======================q-point: (-0.44 -0.56 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.632 ( 2.847 -0.000 -0.000) 2.847 3.983 ( 17.448 -0.000 -0.000) 17.448 4.847 ( 14.794 -0.000 -0.000) 14.794 5.457 ( -1.184 0.000 0.000) 1.184 6.548 ( -3.701 0.000 0.000) 3.701 7.270 ( -4.425 0.000 0.000) 4.425 10.235 ( -9.176 0.000 0.000) 9.176 10.262 ( 13.884 -0.000 -0.000) 13.884 10.812 ( 15.290 -0.000 -0.000) 15.290 11.579 ( 4.398 -0.000 -0.000) 4.398 12.353 ( -3.083 0.000 0.000) 3.083 15.835 ( -11.496 0.000 0.000) 11.496======================= Grid point 175 (91/580) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 820Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.581 ( -0.000 0.000 0.000) 0.000 3.658 ( -0.000 0.000 0.000) 0.000 4.586 ( -0.000 0.000 0.000) 0.000 5.474 ( -0.000 0.000 0.000) 0.000 6.611 ( -0.000 0.000 0.000) 0.000 7.337 ( -0.000 0.000 0.000) 0.000 9.908 ( -0.000 0.000 0.000) 0.000 10.455 ( 0.000 -0.000 -0.000) 0.000 10.639 ( -0.000 0.000 0.000) 0.000 11.438 ( -0.000 0.000 0.000) 0.000 12.414 ( 0.000 0.000 -0.000) 0.000 16.039 ( -0.000 0.000 0.000) 0.000======================= Grid point 350 (92/580) =======================q-point: ( 0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.237 ( -0.000 0.000 23.148) 23.148 0.237 ( -0.000 0.000 23.148) 23.148 0.442 ( -0.000 0.000 43.317) 43.317 3.964 ( 0.000 -0.000 -0.707) 0.707 3.964 ( 0.000 -0.000 -0.707) 0.707 8.117 ( -0.000 0.000 0.293) 0.293 8.117 ( -0.000 0.000 0.293) 0.293 8.527 ( 0.000 -0.000 -3.600) 3.600 11.674 ( 0.000 -0.000 -0.237) 0.237 11.674 ( 0.000 -0.000 -0.237) 0.237 14.837 ( -0.000 0.000 1.253) 1.253 15.385 ( 0.000 -0.000 -0.506) 0.506======================= Grid point 351 (93/580) =======================q-point: ( 0.11 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.721 ( 17.700 10.219 22.930) 30.717 0.755 ( 25.447 14.692 12.928) 32.102 1.166 ( 45.759 26.419 9.985) 53.773 3.973 ( 1.393 0.804 -1.517) 2.211 4.075 ( 8.558 4.941 -0.523) 9.896 7.260 ( -6.859 -3.960 9.434) 12.317 8.174 ( 4.633 2.675 0.874) 5.420 10.438 ( 13.741 7.933 -34.646) 38.107 11.643 ( -2.459 -1.420 -0.608) 2.904 11.662 ( 10.973 6.335 -19.403) 23.173 14.766 ( -6.686 -3.860 2.457) 8.102 16.198 ( 21.924 12.658 -35.740) 43.797======================= Grid point 352 (94/580) =======================q-point: ( 0.17 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 19.828 11.448 16.523) 28.235 1.366 ( 25.609 14.785 9.413) 31.032 2.235 ( 47.158 27.227 3.719) 54.580 4.015 ( 2.919 1.685 -2.136) 3.990 4.334 ( 14.401 8.315 0.430) 16.635 7.196 ( -2.236 -1.291 1.613) 3.044 8.327 ( 8.742 5.047 1.365) 10.186 10.247 ( -15.574 -8.992 -1.167) 18.021 11.566 ( -4.023 -2.323 -0.921) 4.736 11.938 ( 17.151 9.902 -25.695) 32.441 14.573 ( -11.479 -6.627 5.515) 14.356 16.329 ( 1.740 1.005 -16.946) 17.064======================= Grid point 353 (95/580) =======================q-point: ( 0.22 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( 20.489 11.829 11.327) 26.231 1.947 ( 23.827 13.757 7.314) 28.469 3.268 ( 44.479 25.680 1.428) 51.379 4.086 ( 4.066 2.347 -2.477) 5.308 4.699 ( 17.619 10.172 1.267) 20.384 7.144 ( -2.788 -1.609 -1.196) 3.434 8.567 ( 12.083 6.976 1.721) 14.058 9.901 ( -14.397 -8.312 3.274) 16.943 11.467 ( -4.259 -2.459 -1.145) 5.049 12.184 ( 11.404 6.584 -21.917) 25.569 14.310 ( -14.204 -8.200 10.403) 19.422 16.228 ( -5.426 -3.133 -13.566) 14.943======================= Grid point 354 (96/580) =======================q-point: ( 0.28 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( 19.234 11.105 7.411) 23.413 2.468 ( 20.817 12.019 5.512) 24.661 4.175 ( 4.663 2.692 -2.505) 5.939 4.207 ( 39.283 22.680 -0.536) 45.363 5.108 ( 18.251 10.537 2.020) 21.171 7.057 ( -4.471 -2.581 -2.595) 5.778 8.866 ( 13.880 8.014 1.952) 16.146 9.665 ( -7.501 -4.331 4.185) 9.620 11.381 ( -2.891 -1.669 -1.277) 3.574 12.270 ( 2.351 1.358 -20.326) 20.506 14.021 ( -15.851 -9.151 16.173) 24.425 16.031 ( -7.048 -4.069 -14.198) 16.365======================= Grid point 355 (97/580) =======================q-point: ( 0.33 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.598 ( 16.107 9.299 4.285) 19.086 2.905 ( 16.945 9.783 3.848) 19.942 4.272 ( 4.631 2.674 -2.232) 5.795 4.997 ( 31.898 18.416 -2.841) 36.942 5.510 ( 16.848 9.727 2.486) 19.613 6.930 ( -6.003 -3.466 -2.335) 7.315 9.181 ( 13.387 7.729 2.067) 15.596 9.608 ( 1.265 0.730 3.970) 4.231 11.340 ( -0.176 -0.101 -1.334) 1.349 12.149 ( -6.666 -3.849 -20.260) 21.673 13.693 ( -19.596 -11.314 18.794) 29.415 15.865 ( -2.844 -1.642 -12.882) 13.294======================= Grid point 356 (98/580) =======================q-point: ( 0.39 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.920 ( 11.781 6.802 1.655) 13.704 3.246 ( 12.665 7.312 2.418) 14.822 4.363 ( 4.013 2.317 -1.714) 4.941 5.599 ( 23.387 13.503 -5.479) 27.556 5.863 ( 13.849 7.996 2.229) 16.146 6.787 ( -6.146 -3.548 0.182) 7.099 9.458 ( 10.610 6.126 2.012) 12.415 9.742 ( 9.436 5.448 2.863) 11.266 11.366 ( 2.806 1.620 -1.312) 3.496 11.873 ( -11.092 -6.404 -19.193) 23.074 13.254 ( -25.147 -14.519 15.996) 33.152 15.835 ( 3.070 1.773 -8.106) 8.848======================= Grid point 357 (99/580) =======================q-point: ( 0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.133 ( 7.271 4.198 -0.622) 8.419 3.485 ( 8.317 4.802 1.326) 9.695 4.436 ( 2.967 1.713 -1.033) 3.578 6.002 ( 15.062 8.696 -8.631) 19.416 6.130 ( 9.392 5.422 0.941) 10.886 6.676 ( -4.356 -2.515 5.409) 7.387 9.658 ( 6.707 3.872 1.709) 7.931 10.027 ( 14.945 8.628 1.349) 17.309 11.445 ( 4.283 2.473 -1.183) 5.085 11.571 ( -9.645 -5.569 -16.710) 20.082 12.705 ( -27.589 -15.929 12.127) 34.087 15.918 ( 5.343 3.085 -3.544) 7.115======================= Grid point 358 (100/580) =======================q-point: ( 0.50 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.245 ( 3.331 1.923 -2.565) 4.623 3.626 ( 4.016 2.318 0.549) 4.669 4.486 ( 1.675 0.967 -0.275) 1.954 6.220 ( 8.059 4.653 -12.184) 15.331 6.280 ( 3.991 2.304 -0.415) 4.628 6.638 ( -1.889 -1.090 11.977) 12.174 9.770 ( 2.954 1.706 1.192) 3.614 10.375 ( 14.481 8.360 0.030) 16.721 11.374 ( -2.339 -1.350 -13.869) 14.129 11.529 ( 3.184 1.838 -0.969) 3.802 12.153 ( -24.116 -13.923 10.448) 29.742 16.017 ( 3.763 2.172 -1.133) 4.490======================= Grid point 359 (101/580) =======================q-point: (-0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.269 ( -0.026 -0.015 -4.118) 4.118 3.668 ( -0.282 -0.163 -0.073) 0.334 4.508 ( 0.276 0.159 0.480) 0.576 6.290 ( 1.015 0.586 -13.269) 13.321 6.329 ( 2.433 1.405 -0.008) 2.809 6.641 ( -2.732 -1.578 14.647) 14.983 9.801 ( -0.372 -0.215 0.594) 0.733 10.557 ( -0.602 -0.347 -1.448) 1.606 11.423 ( 10.247 5.916 -9.767) 15.343 11.566 ( 0.232 0.134 -0.718) 0.767 11.789 ( -8.620 -4.977 9.335) 13.646 16.064 ( 0.497 0.287 0.018) 0.574======================= Grid point 360 (102/580) =======================q-point: (-0.39 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.216 ( -3.428 -1.979 -5.236) 6.564 3.612 ( -4.660 -2.691 -0.739) 5.432 4.501 ( -1.146 -0.662 1.159) 1.759 6.194 ( -5.695 -3.288 -9.323) 11.409 6.373 ( -0.365 -0.211 0.340) 0.542 6.610 ( -2.924 -1.688 12.014) 12.480 9.757 ( -3.659 -2.113 0.032) 4.226 10.350 ( -14.738 -8.509 -2.413) 17.189 11.535 ( -2.719 -1.570 -0.441) 3.170 11.626 ( 7.862 4.539 8.392) 12.363 11.950 ( 19.899 11.489 -7.067) 24.040 16.045 ( -2.124 -1.226 1.457) 2.852======================= Grid point 361 (103/580) =======================q-point: (-0.33 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.077 ( -7.507 -4.334 -5.923) 10.499 3.454 ( -9.164 -5.291 -1.586) 10.700 4.465 ( -2.507 -1.447 1.697) 3.356 5.977 ( -11.313 -6.532 -8.027) 15.332 6.231 ( -13.230 -7.638 7.206) 16.891 6.665 ( 4.989 2.881 4.701) 7.436 9.635 ( -7.293 -4.211 -0.432) 8.433 9.987 ( -15.606 -9.010 -2.653) 18.214 11.456 ( -3.840 -2.217 -0.121) 4.436 11.893 ( 12.302 7.102 13.894) 19.870 12.429 ( 24.420 14.099 -13.887) 31.432 16.000 ( -2.188 -1.263 4.169) 4.875======================= Grid point 362 (104/580) =======================q-point: (-0.28 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.837 ( -12.275 -7.087 -6.212) 15.476 3.192 ( -13.739 -7.932 -2.611) 16.078 4.402 ( -3.670 -2.119 2.036) 4.701 5.617 ( -19.952 -11.519 -4.477) 23.469 5.885 ( -18.479 -10.669 5.123) 21.944 6.820 ( 7.105 4.102 3.163) 8.793 9.429 ( -11.012 -6.358 -0.776) 12.740 9.681 ( -10.273 -5.931 -3.116) 12.264 11.382 ( -2.446 -1.412 0.227) 2.833 12.225 ( 12.167 7.024 13.931) 19.785 12.905 ( 22.719 13.117 -16.577) 31.033 16.000 ( 0.834 0.481 7.453) 7.515======================= Grid point 363 (105/580) =======================q-point: (-0.22 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.489 ( -17.007 -9.819 -6.087) 20.559 2.826 ( -18.157 -10.483 -3.639) 21.279 4.318 ( -4.444 -2.566 2.141) 5.560 5.034 ( -31.603 -18.246 0.217) 36.492 5.483 ( -18.269 -10.548 0.395) 21.099 6.981 ( 6.137 3.543 2.437) 7.494 9.148 ( -13.603 -7.854 -0.996) 15.739 9.533 ( -1.706 -0.985 -3.395) 3.926 11.360 ( 0.406 0.234 0.530) 0.707 12.479 ( 6.228 3.596 9.822) 12.174 13.337 ( 21.052 12.154 -13.701) 27.904 16.093 ( 4.781 2.760 8.773) 10.365======================= Grid point 364 (106/580) =======================q-point: (-0.17 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( -20.706 -11.955 -5.352) 24.501 2.363 ( -22.042 -12.726 -4.375) 25.825 4.223 ( -4.665 -2.693 1.995) 5.744 4.234 ( -40.064 -23.131 1.940) 46.302 5.074 ( -18.265 -10.545 -1.175) 21.123 7.098 ( 3.728 2.153 1.330) 4.506 8.834 ( -13.936 -8.046 -1.084) 16.128 9.589 ( 7.687 4.438 -3.177) 9.427 11.401 ( 2.973 1.716 0.696) 3.503 12.554 ( -1.656 -0.956 5.236) 5.575 13.759 ( 19.986 11.539 -7.481) 24.260 16.250 ( 6.419 3.706 6.648) 9.957======================= Grid point 365 (107/580) =======================q-point: (-0.11 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( -22.739 -13.128 -3.426) 26.479 1.822 ( -25.031 -14.452 -4.488) 29.250 3.285 ( -45.483 -26.260 2.932) 52.601 4.128 ( -4.271 -2.466 1.598) 5.184 4.671 ( -17.197 -9.929 -1.392) 19.906 7.158 ( 1.546 0.893 0.232) 1.800 8.538 ( -11.975 -6.914 -1.010) 13.864 9.840 ( 15.228 8.792 -2.761) 17.799 11.486 ( 4.192 2.420 0.673) 4.886 12.455 ( -8.110 -4.682 2.698) 9.745 14.165 ( 17.675 10.205 -2.611) 20.575 16.399 ( 5.206 3.006 2.222) 6.409======================= Grid point 366 (108/580) =======================q-point: (-0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( -23.014 -13.287 1.374) 26.610 1.228 ( -26.923 -15.544 -3.467) 31.281 2.246 ( -48.601 -28.060 4.504) 56.300 4.047 ( -3.316 -1.914 0.970) 3.950 4.317 ( -13.800 -7.968 -1.285) 15.987 7.178 ( 0.471 0.272 0.196) 0.579 8.305 ( -8.459 -4.884 -0.738) 9.796 10.222 ( 19.208 11.090 -3.412) 22.441 11.581 ( 3.833 2.213 0.470) 4.451 12.219 ( -13.271 -7.662 -1.675) 15.415 14.512 ( 13.522 7.807 0.184) 15.615 16.485 ( 2.597 1.499 -4.584) 5.477======================= Grid point 369 (109/580) =======================q-point: ( 0.11 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( -0.000 26.327 8.816) 27.764 0.780 ( -0.000 16.613 26.044) 30.891 1.294 ( -0.000 51.535 15.675) 53.866 3.988 ( 0.000 2.552 -0.552) 2.611 4.052 ( 0.000 9.098 -1.895) 9.293 7.289 ( -0.000 -11.147 10.027) 14.993 8.161 ( 0.000 4.671 0.084) 4.672 10.266 ( 0.000 24.759 -38.289) 45.597 11.651 ( -0.000 -2.399 -0.129) 2.403 11.676 ( 0.000 14.111 -16.360) 21.605 14.771 ( -0.000 -8.028 2.775) 8.494 16.064 ( 0.000 28.336 -32.793) 43.339======================= Grid point 370 (110/580) =======================q-point: ( 0.17 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( 12.349 15.103 20.874) 28.571 1.182 ( 20.630 22.439 7.271) 31.336 2.028 ( 22.053 48.155 8.676) 53.670 4.013 ( 0.257 4.143 -1.420) 4.387 4.232 ( 8.862 11.744 -0.734) 14.731 7.218 ( -1.833 -3.686 3.069) 5.135 8.270 ( 5.600 7.017 0.700) 9.004 10.265 ( -1.778 -11.720 -8.684) 14.695 11.581 ( -3.112 -2.951 -1.506) 4.546 11.822 ( 5.044 20.430 -24.226) 32.090 14.644 ( -5.278 -11.039 4.888) 13.177 16.233 ( 5.257 7.952 -21.012) 23.073======================= Grid point 371 (111/580) =======================q-point: ( 0.22 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 16.047 13.487 15.452) 26.041 1.774 ( 21.299 21.094 5.884) 30.549 2.937 ( 31.828 39.831 3.805) 51.127 4.071 ( 1.712 5.592 -1.953) 6.165 4.546 ( 13.908 13.063 0.530) 19.088 7.164 ( -2.137 -2.265 -0.434) 3.144 8.478 ( 9.092 9.751 1.430) 13.409 10.006 ( -9.365 -14.799 1.304) 17.562 11.493 ( -2.967 -3.669 -1.305) 4.895 12.028 ( 7.996 14.114 -24.193) 29.128 14.432 ( -8.696 -12.747 8.821) 17.774 16.227 ( -2.375 -0.462 -15.160) 15.352======================= Grid point 372 (112/580) =======================q-point: ( 0.28 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( 17.486 11.651 10.306) 23.403 2.325 ( 18.483 20.209 4.617) 27.774 3.837 ( 32.847 29.879 -0.146) 44.404 4.169 ( 3.311 8.929 -1.305) 9.612 4.933 ( 16.447 12.792 1.678) 20.903 7.090 ( -3.498 -2.651 -2.248) 4.932 8.762 ( 11.233 12.052 2.028) 16.599 9.744 ( -7.619 -9.637 3.492) 12.772 11.410 ( -2.821 -2.158 -1.275) 3.774 12.156 ( 4.839 4.639 -22.165) 23.156 14.181 ( -10.498 -13.638 14.088) 22.241 16.070 ( -7.311 -3.063 -14.537) 16.557======================= Grid point 373 (113/580) =======================q-point: ( 0.33 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.420 ( 16.630 8.945 6.177) 19.868 2.804 ( 14.564 18.915 3.073) 24.069 4.240 ( 4.328 6.495 -3.140) 8.413 4.683 ( 28.818 25.674 -1.002) 38.608 5.337 ( 16.662 11.394 2.604) 20.353 6.981 ( -5.023 -3.400 -2.488) 6.556 9.085 ( 11.387 13.125 2.575) 17.566 9.616 ( -1.395 -3.036 3.564) 4.885 11.358 ( -1.702 0.553 -1.317) 2.222 12.111 ( -2.013 -3.508 -21.466) 21.844 13.905 ( -13.335 -15.056 18.043) 27.019 15.872 ( -5.999 -2.296 -14.067) 15.465======================= Grid point 374 (114/580) =======================q-point: ( 0.39 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.763 ( 13.991 5.741 2.717) 15.365 3.192 ( 9.973 17.092 1.671) 19.859 4.353 ( 2.544 7.281 -2.263) 8.038 5.331 ( 24.003 18.028 -4.529) 30.359 5.712 ( 14.869 9.283 3.008) 17.785 6.850 ( -5.579 -3.596 -0.583) 6.663 9.395 ( 9.340 12.574 3.070) 15.962 9.667 ( 5.920 3.419 2.320) 7.219 11.358 ( 0.129 2.845 -1.335) 3.145 11.898 ( -7.500 -7.418 -20.517) 23.070 13.537 ( -19.771 -17.239 16.806) 31.153 15.771 ( 0.849 -0.358 -10.133) 10.175======================= Grid point 375 (115/580) =======================q-point: ( 0.44 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.011 ( 10.347 2.696 -0.338) 10.698 3.477 ( 5.282 14.788 0.756) 15.721 4.450 ( 1.034 7.792 -1.461) 7.995 5.794 ( 17.225 11.110 -8.318) 22.121 6.020 ( 11.306 6.529 2.671) 13.326 6.737 ( -4.329 -2.846 3.820) 6.437 9.651 ( 5.597 12.280 2.932) 13.810 9.878 ( 12.012 7.313 0.669) 14.078 11.379 ( 0.197 -1.597 -3.195) 3.577 11.643 ( -6.923 -1.803 -16.197) 17.706 13.034 ( -25.373 -17.677 12.679) 33.422 15.812 ( 6.478 -0.191 -4.934) 8.145======================= Grid point 376 (116/580) =======================q-point: ( 0.50 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.160 ( 6.520 0.178 -2.996) 7.178 3.660 ( 0.900 12.316 0.394) 12.355 4.525 ( -0.779 7.919 -0.645) 7.984 6.069 ( 10.539 5.740 -12.584) 17.389 6.224 ( 6.378 3.367 2.036) 7.494 6.688 ( -1.565 -1.807 9.938) 10.221 9.829 ( 0.033 12.694 2.172) 12.879 10.194 ( 15.961 8.061 -0.795) 17.899 11.255 ( -1.405 -10.944 -9.947) 14.855 11.600 ( -1.229 9.138 -5.866) 10.928 12.475 ( -25.882 -14.776 9.979) 31.429 15.915 ( 7.521 -1.946 -1.753) 7.964======================= Grid point 377 (117/580) =======================q-point: ( 0.56 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.216 ( 3.045 -1.917 -5.038) 6.190 3.749 ( -3.307 10.083 0.265) 10.615 4.570 ( -2.656 7.548 0.130) 8.003 6.190 ( 5.454 2.127 -15.230) 16.317 6.317 ( 1.994 0.953 2.330) 3.212 6.699 ( -0.698 -2.179 13.937) 14.124 9.911 ( -5.105 11.933 1.302) 13.044 10.494 ( 9.832 4.248 -1.801) 10.861 11.166 ( 7.566 -8.440 -8.706) 14.293 11.649 ( -1.138 7.279 -3.470) 8.144 12.016 ( -18.763 -5.610 9.117) 21.602 15.992 ( 5.442 -4.303 -0.422) 6.951======================= Grid point 378 (118/580) =======================q-point: (-0.39 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.193 ( -0.174 -3.964 -6.274) 7.424 3.746 ( -7.731 8.181 -0.065) 11.256 4.582 ( -4.350 6.669 0.851) 8.008 6.182 ( -0.776 -2.290 -13.577) 13.791 6.361 ( 1.817 1.202 1.718) 2.775 6.688 ( -3.274 -3.762 14.395) 15.234 9.897 ( -8.926 9.002 0.474) 12.686 10.484 ( -9.349 -4.952 -2.476) 10.865 11.282 ( 14.557 -7.377 -2.684) 16.538 11.753 ( 9.171 10.660 -6.066) 15.315 11.838 ( -7.553 5.426 8.283) 12.454 16.009 ( 2.684 -5.951 0.573) 6.553======================= Grid point 379 (119/580) =======================q-point: (-0.33 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.090 ( -3.712 -6.203 -6.726) 9.874 3.646 ( -12.553 6.304 -0.790) 14.069 4.559 ( -5.748 5.412 1.469) 8.031 6.037 ( -6.755 -5.875 -10.521) 13.814 6.361 ( -5.430 -2.858 3.988) 7.318 6.652 ( -0.078 -1.455 9.936) 10.042 9.790 ( -11.516 4.092 -0.168) 12.222 10.174 ( -16.793 -6.971 -2.188) 18.314 11.409 ( 6.672 -4.807 0.317) 8.230 11.883 ( 2.005 9.308 9.606) 13.525 12.120 ( 21.859 11.678 -10.655) 26.976 15.986 ( 1.367 -5.786 2.442) 6.428======================= Grid point 380 (120/580) =======================q-point: (-0.28 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.900 ( -8.021 -8.427 -6.549) 13.351 3.440 ( -17.605 4.069 -1.770) 18.155 4.505 ( -6.804 3.956 1.878) 8.092 5.774 ( -12.966 -8.515 -8.206) 17.548 6.118 ( -17.436 -9.040 7.209) 20.922 6.748 ( 6.531 2.409 4.449) 8.261 9.592 ( -13.218 -1.571 -0.720) 13.331 9.839 ( -15.411 -3.476 -1.987) 15.922 11.412 ( -1.624 -0.850 -0.454) 1.888 12.129 ( 11.477 6.881 11.651) 17.743 12.573 ( 23.877 10.287 -13.982) 29.520 15.982 ( 2.567 -3.443 5.088) 6.658======================= Grid point 381 (121/580) =======================q-point: (-0.22 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( -12.983 -10.084 -5.830) 17.442 3.124 ( -22.460 1.492 -2.676) 22.668 4.423 ( -7.413 2.469 1.989) 8.063 5.357 ( -23.884 -11.832 -4.063) 26.962 5.712 ( -20.573 -10.334 4.194) 23.402 6.907 ( 7.330 2.713 2.707) 8.272 9.331 ( -14.471 -3.681 -0.750) 14.951 9.598 ( -9.411 -0.817 -2.337) 9.732 11.376 ( -1.741 0.917 -0.234) 1.982 12.403 ( 9.960 3.312 7.193) 12.725 13.018 ( 23.785 8.765 -11.334) 27.767 16.051 ( 5.305 -0.171 6.634) 8.496======================= Grid point 382 (122/580) =======================q-point: (-0.17 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.238 ( -17.897 -10.575 -4.379) 21.244 2.705 ( -26.658 -0.863 -3.164) 26.859 4.322 ( -7.420 1.105 1.789) 7.712 4.708 ( -36.928 -14.920 0.248) 39.829 5.293 ( -19.346 -8.993 0.304) 21.337 7.046 ( 5.502 1.792 1.424) 5.960 9.032 ( -16.542 -3.763 -0.556) 16.973 9.524 ( 1.513 1.797 -2.460) 3.401 11.381 ( 1.012 1.407 0.093) 1.735 12.544 ( 3.467 -0.499 1.160) 3.690 13.466 ( 23.417 7.999 -5.127) 25.271 16.187 ( 7.033 1.792 5.198) 8.927======================= Grid point 383 (123/580) =======================q-point: (-0.11 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( -21.852 -9.381 -1.597) 23.834 2.205 ( -29.931 -2.141 -2.857) 30.143 3.869 ( -45.849 -15.170 2.104) 48.339 4.213 ( -6.725 0.000 1.217) 6.835 4.892 ( -19.141 -6.935 -0.796) 20.374 7.131 ( 2.932 0.715 0.297) 3.033 8.720 ( -15.918 -3.223 -0.464) 16.248 9.662 ( 11.746 4.422 -1.936) 12.699 11.434 ( 3.633 0.970 0.236) 3.768 12.524 ( -3.575 -2.598 -2.420) 5.038 13.908 ( 21.766 6.636 -0.442) 22.759 16.332 ( 6.426 1.669 1.090) 6.728======================= Grid point 384 (124/580) =======================q-point: (-0.06 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( -24.135 -5.761 3.728) 25.091 1.659 ( -32.136 -1.247 -1.127) 32.180 2.925 ( -51.860 -11.981 3.274) 53.326 4.110 ( -5.405 -0.762 0.384) 5.472 4.526 ( -17.901 -3.619 -0.773) 18.279 7.168 ( 1.262 0.198 0.021) 1.277 8.452 ( -12.946 -1.665 -0.190) 13.054 9.964 ( 18.761 5.041 -1.532) 19.487 11.513 ( 4.886 0.053 0.097) 4.887 12.361 ( -10.716 -3.514 -6.890) 13.215 14.303 ( 18.485 4.209 2.133) 19.078 16.427 ( 4.032 0.600 -4.766) 6.271======================= Grid point 388 (125/580) =======================q-point: ( 0.17 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( -0.000 28.000 4.673) 28.388 1.270 ( -0.000 17.612 20.320) 26.890 2.389 ( -0.000 52.436 8.627) 53.141 4.052 ( 0.000 4.364 -0.486) 4.391 4.286 ( 0.000 16.230 -1.537) 16.302 7.204 ( -0.000 -3.629 1.960) 4.125 8.300 ( 0.000 9.647 0.218) 9.649 10.121 ( 0.000 -14.237 -6.099) 15.488 11.584 ( -0.000 -4.302 -0.191) 4.306 11.905 ( 0.000 20.319 -24.654) 31.948 14.580 ( -0.000 -14.420 5.837) 15.556 16.206 ( 0.000 8.111 -18.506) 20.205======================= Grid point 389 (126/580) =======================q-point: ( 0.22 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( 7.448 16.511 16.858) 24.744 1.683 ( 16.378 25.195 3.505) 30.254 3.017 ( 12.759 48.177 4.897) 50.078 4.105 ( 0.983 5.994 -0.850) 6.133 4.514 ( 7.146 17.692 -0.259) 19.082 7.167 ( -1.180 -2.630 -0.164) 2.887 8.458 ( 5.984 11.995 0.840) 13.431 9.940 ( -2.284 -16.933 -0.427) 17.092 11.505 ( -3.217 -3.995 -1.030) 5.232 12.018 ( 2.031 15.234 -23.945) 28.453 14.421 ( -3.685 -16.398 8.554) 18.858 16.207 ( -0.618 2.339 -15.079) 15.271======================= Grid point 390 (127/580) =======================q-point: ( 0.28 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 11.762 13.820 12.560) 22.070 2.233 ( 19.115 23.150 2.619) 30.136 3.726 ( 19.314 38.059 -0.145) 42.680 4.208 ( 3.358 10.042 -0.168) 10.590 4.842 ( 11.358 17.105 1.456) 20.584 7.108 ( -2.564 -2.670 -1.753) 4.096 8.725 ( 9.616 14.537 1.920) 17.535 9.739 ( -3.841 -13.087 2.273) 13.827 11.419 ( -2.094 -2.863 -1.659) 3.916 12.082 ( 1.630 6.787 -22.539) 23.595 14.211 ( -5.927 -17.422 12.563) 22.282 16.110 ( -5.571 -1.287 -13.905) 15.034======================= Grid point 391 (128/580) =======================q-point: ( 0.33 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( 13.300 10.588 8.112) 18.836 2.760 ( 16.420 22.179 1.759) 27.652 4.212 ( 7.548 12.602 -5.352) 15.634 4.555 ( 18.336 27.533 1.445) 33.111 5.216 ( 13.301 15.401 2.934) 20.560 7.017 ( -4.109 -3.208 -2.177) 5.650 9.056 ( 10.631 16.337 3.288) 19.767 9.607 ( -1.258 -5.877 2.479) 6.501 11.377 ( -0.444 -0.155 -1.874) 1.932 12.033 ( -1.462 -2.165 -21.808) 21.964 13.975 ( -7.807 -18.535 16.401) 25.952 15.925 ( -8.061 -1.949 -13.569) 15.902======================= Grid point 392 (129/580) =======================q-point: ( 0.39 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( 12.675 6.844 4.118) 14.982 3.211 ( 11.663 21.469 0.768) 24.445 4.380 ( 3.526 10.236 -3.970) 11.531 5.136 ( 20.475 21.291 -2.725) 29.664 5.588 ( 13.092 12.975 3.610) 18.783 6.902 ( -4.975 -3.368 -0.814) 6.063 9.389 ( 8.898 14.070 5.158) 17.428 9.624 ( 4.309 4.186 0.462) 6.025 11.389 ( 0.382 3.726 -1.712) 4.118 11.850 ( -5.007 -8.218 -21.281) 23.356 13.682 ( -12.425 -20.195 16.925) 29.132 15.754 ( -4.380 -1.260 -11.129) 12.027======================= Grid point 393 (130/580) =======================q-point: ( 0.44 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( 10.632 3.148 0.530) 11.101 3.563 ( 6.066 20.506 0.124) 21.385 4.516 ( 1.831 11.167 -2.913) 11.685 5.600 ( 16.864 12.940 -6.083) 22.110 5.912 ( 11.012 9.336 3.266) 14.802 6.793 ( -4.406 -2.765 2.565) 5.800 9.652 ( 9.358 8.240 4.463) 13.244 9.824 ( 6.353 15.186 -0.435) 16.467 11.402 ( -4.519 0.622 -3.834) 5.959 11.633 ( -1.492 -3.570 -16.972) 17.408 13.272 ( -19.198 -20.324 13.554) 31.070 15.697 ( 2.771 -1.990 -6.368) 7.224======================= Grid point 394 (131/580) =======================q-point: ( 0.50 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( 7.887 0.028 -2.583) 8.299 3.810 ( 0.532 19.190 0.098) 19.197 4.633 ( -0.331 11.984 -1.820) 12.126 5.906 ( 11.566 6.989 -10.247) 16.959 6.150 ( 7.873 4.814 3.124) 9.743 6.729 ( -2.290 -2.124 7.385) 8.018 9.925 ( 10.576 10.454 2.625) 15.101 10.071 ( 5.279 16.044 -1.104) 16.926 11.195 ( -7.341 -9.571 -9.930) 15.624 11.660 ( 1.946 8.350 -6.821) 10.956 12.769 ( -22.867 -17.024 9.881) 30.172 15.743 ( 7.447 -4.713 -2.499) 9.160======================= Grid point 395 (132/580) =======================q-point: ( 0.56 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.110 ( 4.927 -2.288 -4.940) 7.343 3.955 ( -4.399 17.612 0.429) 18.159 4.719 ( -2.989 12.290 -0.734) 12.670 6.061 ( 6.685 2.818 -13.797) 15.588 6.289 ( 3.974 1.534 3.107) 5.273 6.722 ( -0.057 -2.781 11.766) 12.090 10.162 ( -2.147 18.422 2.812) 18.759 10.326 ( 12.386 8.309 -4.144) 15.480 10.995 ( -0.658 -9.367 -7.247) 11.861 11.723 ( -1.861 5.609 -3.486) 6.861 12.307 ( -19.292 -7.616 7.049) 21.906 15.812 ( 8.213 -7.861 -0.722) 11.392======================= Grid point 396 (133/580) =======================q-point: (-0.39 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.117 ( 1.877 -3.936 -6.275) 7.641 4.006 ( -8.917 15.751 0.517) 18.107 4.763 ( -5.683 11.892 0.307) 13.184 6.098 ( 2.535 -1.283 -14.499) 14.775 6.350 ( 1.767 0.728 2.713) 3.319 6.729 ( -0.759 -4.505 13.631) 14.376 10.210 ( -12.552 16.189 0.591) 20.493 10.517 ( 2.808 0.575 -3.736) 4.709 10.994 ( 10.704 -3.336 -3.350) 11.701 11.693 ( 0.297 -0.645 0.241) 0.750 12.084 ( -9.985 6.711 2.643) 12.318 15.851 ( 6.844 -9.913 0.055) 12.047======================= Grid point 397 (134/580) =======================q-point: (-0.33 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.055 ( -1.507 -5.196 -6.562) 8.505 3.962 ( -13.482 13.371 0.002) 18.988 4.761 ( -7.976 10.752 1.215) 13.442 6.020 ( -2.497 -5.460 -12.292) 13.680 6.391 ( 0.693 0.433 1.816) 1.991 6.692 ( -2.862 -5.219 12.780) 14.099 10.077 ( -15.793 6.400 -0.863) 17.063 10.388 ( -13.558 -1.600 -1.519) 13.737 11.205 ( 13.319 1.971 0.261) 13.467 11.842 ( 15.136 3.093 -0.315) 15.452 12.047 ( -4.850 9.696 -0.700) 10.864 15.858 ( 5.578 -9.757 1.129) 11.296======================= Grid point 398 (135/580) =======================q-point: (-0.28 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.920 ( -5.538 -6.136 -5.971) 10.196 3.810 ( -18.261 10.300 -0.937) 20.987 4.713 ( -9.640 8.885 1.764) 13.228 5.835 ( -7.436 -7.659 -9.646) 14.388 6.311 ( -10.750 -5.376 5.017) 13.024 6.689 ( 3.510 -0.741 6.938) 7.811 9.819 ( -16.145 -2.110 -1.282) 16.333 10.115 ( -17.918 2.196 -0.236) 18.053 11.401 ( 4.501 4.515 -0.370) 6.385 12.083 ( 4.925 4.105 10.636) 12.419 12.227 ( 21.388 7.164 -13.014) 26.042 15.874 ( 5.860 -7.111 2.783) 9.626======================= Grid point 399 (136/580) =======================q-point: (-0.22 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.710 ( -10.253 -6.461 -4.661) 12.984 3.543 ( -22.972 6.828 -1.789) 24.032 4.624 ( -10.509 6.360 1.740) 12.406 5.556 ( -13.962 -8.053 -7.029) 17.584 5.989 ( -20.453 -8.551 5.804) 22.915 6.811 ( 7.478 1.256 3.122) 8.201 9.529 ( -14.008 -3.622 -0.906) 14.497 9.837 ( -17.838 2.590 -0.388) 18.029 11.438 ( -3.224 4.062 -1.279) 5.342 12.274 ( 10.225 2.048 3.148) 10.893 12.648 ( 24.826 5.568 -6.183) 26.184 15.946 ( 7.446 -3.331 3.787) 8.993======================= Grid point 400 (137/580) =======================q-point: (-0.17 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.425 ( -15.250 -5.627 -2.574) 16.458 3.167 ( -27.090 3.702 -2.078) 27.420 4.500 ( -10.422 3.442 1.083) 11.029 5.135 ( -26.499 -7.779 -3.048) 27.785 5.558 ( -21.779 -7.585 3.089) 23.268 6.957 ( 7.283 0.976 1.324) 7.467 9.274 ( -14.293 -1.889 0.116) 14.417 9.600 ( -10.653 1.513 -1.138) 10.820 11.409 ( -2.671 2.447 -0.878) 3.728 12.438 ( 7.993 -0.575 -3.692) 8.823 13.111 ( 25.243 5.165 0.314) 25.768 16.075 ( 8.628 -0.806 2.526) 9.026======================= Grid point 401 (138/580) =======================q-point: (-0.11 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.084 ( -19.738 -3.030 0.612) 19.978 2.707 ( -30.113 1.782 -1.434) 30.199 4.352 ( -10.064 0.306 -1.059) 10.124 4.500 ( -39.434 -5.821 1.512) 39.890 5.165 ( -19.687 -3.823 0.622) 20.064 7.070 ( 5.118 0.199 0.003) 5.122 8.990 ( -17.831 -0.809 0.601) 17.860 9.552 ( 3.379 1.790 -0.789) 3.904 11.404 ( 0.546 0.878 -0.470) 1.135 12.498 ( 2.499 -1.350 -7.231) 7.769 13.578 ( 24.109 3.928 4.272) 24.798 16.216 ( 8.192 -0.594 -1.070) 8.283======================= Grid point 402 (139/580) =======================q-point: (-0.06 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( -22.647 1.735 5.255) 23.313 2.203 ( -31.598 1.970 0.600) 31.665 3.713 ( -47.971 -1.247 0.749) 47.993 4.213 ( -7.898 -0.820 -0.216) 7.943 4.825 ( -19.337 0.637 0.360) 19.351 7.133 ( 2.910 -0.273 -0.643) 2.993 8.696 ( -16.607 0.416 0.754) 16.630 9.715 ( 13.476 1.268 0.406) 13.542 11.440 ( 3.367 -0.180 -0.457) 3.403 12.441 ( -4.696 -0.930 -10.628) 11.656 14.007 ( 21.503 1.534 6.255) 22.446 16.318 ( 6.477 -1.588 -5.708) 8.779======================= Grid point 407 (140/580) =======================q-point: ( 0.22 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -0.000 16.772 14.416) 22.116 1.798 ( 0.000 26.894 3.033) 27.064 3.401 ( 0.000 47.682 2.884) 47.770 4.145 ( 0.000 5.515 -0.547) 5.542 4.649 ( 0.000 21.686 0.470) 21.691 7.151 ( 0.000 -2.510 -0.668) 2.598 8.533 ( 0.000 14.086 0.743) 14.105 9.796 ( -0.000 -15.843 0.750) 15.861 11.490 ( -0.000 -4.971 -0.486) 4.994 12.053 ( 0.000 11.254 -24.432) 26.899 14.311 ( -0.000 -18.621 9.926) 21.102 16.190 ( 0.000 2.192 -13.629) 13.804======================= Grid point 408 (141/580) =======================q-point: ( 0.28 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( 4.984 14.904 11.674) 19.577 2.186 ( 13.555 24.740 1.977) 28.279 3.897 ( 6.309 39.923 -1.523) 40.447 4.233 ( 4.074 8.241 -0.010) 9.193 4.912 ( 4.443 23.083 2.409) 23.630 7.112 ( -1.465 -2.613 -1.446) 3.327 8.739 ( 6.568 15.987 1.545) 17.352 9.655 ( -0.750 -12.422 2.331) 12.661 11.419 ( -2.145 -3.956 -1.380) 4.707 12.053 ( 0.062 4.695 -23.456) 23.921 14.141 ( -2.462 -19.842 12.432) 23.544 16.134 ( -3.216 0.239 -12.626) 13.031======================= Grid point 409 (142/580) =======================q-point: ( 0.33 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( 8.402 11.624 8.249) 16.545 2.690 ( 17.688 22.605 1.165) 28.726 4.237 ( 3.631 15.871 -5.408) 17.156 4.547 ( 13.777 24.396 0.129) 28.017 5.242 ( 6.792 22.811 4.140) 24.158 7.041 ( -3.080 -2.956 -1.665) 4.582 9.056 ( 10.373 17.625 3.330) 20.720 9.563 ( 0.141 -6.141 2.340) 6.573 11.359 ( -0.146 -1.895 -2.721) 3.319 11.974 ( -2.100 -2.166 -21.842) 22.050 13.935 ( -4.263 -20.923 15.063) 26.131 15.999 ( -7.293 -0.936 -12.128) 14.183======================= Grid point 410 (143/580) =======================q-point: ( 0.39 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.507 ( 9.610 7.757 4.525) 13.153 3.192 ( 16.022 21.599 0.581) 26.899 4.407 ( 3.886 12.013 -5.174) 13.645 5.020 ( 16.460 19.227 -2.318) 25.416 5.589 ( 7.316 20.649 4.362) 22.337 6.946 ( -4.225 -2.894 -0.585) 5.154 9.396 ( 7.766 12.150 6.428) 15.788 9.598 ( 5.779 7.363 -0.345) 9.367 11.372 ( 3.540 1.259 -3.868) 5.392 11.792 ( -5.543 -7.177 -20.164) 22.110 13.689 ( -6.901 -22.385 16.090) 28.418 15.814 ( -8.127 -1.106 -10.665) 13.455======================= Grid point 411 (144/580) =======================q-point: ( 0.44 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.731 ( 9.134 3.885 1.007) 9.977 3.631 ( 11.183 21.486 0.242) 24.224 4.571 ( 3.580 12.351 -4.854) 13.745 5.431 ( 15.940 11.549 -3.422) 19.979 5.892 ( 6.171 15.458 3.037) 16.919 6.850 ( -4.344 -2.127 1.958) 5.218 9.580 ( 6.818 4.793 2.878) 8.817 9.890 ( 8.227 20.019 2.081) 21.743 11.472 ( 3.752 6.326 -2.975) 7.934 11.531 ( -5.833 -9.713 -19.417) 22.481 13.367 ( -11.802 -22.966 14.204) 29.470 15.662 ( -3.992 -2.080 -7.273) 8.553======================= Grid point 412 (145/580) =======================q-point: ( 0.50 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.891 ( 7.629 0.618 -2.001) 7.911 3.974 ( 4.739 21.613 0.339) 22.129 4.729 ( 2.446 12.868 -3.998) 13.695 5.745 ( 12.738 6.739 -5.831) 15.546 6.106 ( 4.842 8.114 2.511) 9.776 6.780 ( -3.412 -1.524 5.282) 6.471 9.789 ( 11.395 6.532 -1.252) 13.194 10.206 ( 4.786 20.272 3.948) 21.200 11.233 ( -10.376 -7.349 -12.944) 18.144 11.647 ( 6.734 8.770 -5.931) 12.548 12.956 ( -16.630 -20.459 10.711) 28.458 15.596 ( 2.133 -5.205 -3.431) 6.589======================= Grid point 413 (146/580) =======================q-point: ( 0.56 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.985 ( 5.599 -1.681 -4.202) 7.199 4.206 ( -1.892 21.217 0.720) 21.313 4.868 ( 0.254 13.370 -2.533) 13.611 5.937 ( 7.196 3.900 -10.479) 13.297 6.241 ( 4.554 1.985 3.942) 6.342 6.741 ( -1.676 -2.601 8.531) 9.075 10.067 ( 14.854 6.840 -5.017) 17.106 10.471 ( 1.502 20.724 5.195) 21.418 10.966 ( -8.741 -6.283 -8.780) 13.891 11.788 ( 0.783 7.930 -4.389) 9.098 12.535 ( -16.257 -12.607 7.076) 21.755 15.594 ( 6.419 -9.271 -1.075) 11.327======================= Grid point 414 (147/580) =======================q-point: ( 0.61 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.020 ( 3.236 -3.001 -5.389) 6.965 4.326 ( -7.721 19.703 0.870) 21.180 4.971 ( -3.212 13.892 -0.606) 14.271 5.995 ( 2.713 -0.153 -13.122) 13.400 6.326 ( 3.078 0.069 3.386) 4.576 6.727 ( 0.058 -4.982 11.277) 12.329 10.350 ( 13.499 4.428 -7.172) 15.914 10.612 ( -13.583 15.270 -0.595) 20.446 10.850 ( 6.433 1.089 1.885) 6.791 11.747 ( -7.481 -0.861 -0.476) 7.545 12.292 ( -8.377 2.119 1.678) 8.802 15.612 ( 8.120 -12.109 -0.154) 14.581======================= Grid point 415 (148/580) =======================q-point: (-0.33 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.000 ( 0.436 -3.566 -5.533) 6.597 4.333 ( -12.812 16.842 0.424) 21.165 5.019 ( -7.354 13.865 1.252) 15.744 5.944 ( -0.285 -5.195 -12.522) 13.560 6.378 ( 2.031 0.587 1.402) 2.537 6.708 ( -0.721 -6.581 12.026) 13.728 10.396 ( -17.349 2.177 -2.765) 17.702 10.497 ( 1.705 0.530 -4.870) 5.187 11.104 ( 8.511 14.658 6.339) 18.096 11.674 ( 3.900 -0.479 -1.264) 4.128 12.222 ( -6.748 5.460 -0.922) 8.729 15.632 ( 8.515 -12.167 0.410) 14.857======================= Grid point 416 (149/580) =======================q-point: (-0.28 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.927 ( -3.011 -3.554 -4.736) 6.643 4.222 ( -17.561 12.739 -0.442) 21.700 4.997 ( -11.044 12.156 2.114) 16.559 5.813 ( -3.003 -7.683 -10.037) 12.992 6.394 ( -2.127 -1.236 1.056) 2.677 6.667 ( -0.376 -4.966 9.579) 10.797 10.079 ( -18.451 -2.624 -1.808) 18.724 10.404 ( -11.473 1.616 -0.854) 11.617 11.401 ( 5.708 16.410 3.043) 17.639 11.878 ( 19.033 1.500 -2.974) 19.322 12.148 ( -4.591 0.902 -0.809) 4.748 15.675 ( 8.985 -9.269 1.159) 12.961======================= Grid point 417 (150/580) =======================q-point: (-0.22 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.798 ( -7.150 -2.893 -3.136) 8.326 3.989 ( -21.939 8.022 -1.197) 23.390 4.898 ( -13.103 8.057 1.446) 15.449 5.636 ( -6.905 -6.082 -6.693) 11.378 6.232 ( -14.037 -5.344 3.410) 15.402 6.712 ( 5.781 -0.900 4.092) 7.139 9.747 ( -16.743 -3.023 -0.807) 17.033 10.175 ( -17.619 2.337 0.287) 17.775 11.565 ( -3.951 11.594 -1.324) 12.320 12.126 ( 7.108 -2.410 -8.906) 11.647 12.274 ( 23.258 2.627 6.990) 24.428 15.767 ( 9.822 -5.139 1.399) 11.174======================= Grid point 418 (151/580) =======================q-point: (-0.17 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.613 ( -11.681 -1.262 -0.821) 11.778 3.643 ( -25.614 3.785 -1.377) 25.929 4.732 ( -13.101 2.862 -0.162) 13.411 5.410 ( -14.200 -2.008 -3.317) 14.720 5.882 ( -21.844 -5.153 3.005) 22.644 6.836 ( 7.912 -0.264 1.373) 8.034 9.475 ( -13.066 -1.252 0.400) 13.132 9.880 ( -19.062 1.280 -0.052) 19.105 11.521 ( -7.501 4.105 -1.448) 8.672 12.241 ( 11.376 -1.664 -10.758) 15.746 12.741 ( 25.279 3.228 8.804) 26.963 15.904 ( 10.196 -2.346 -0.057) 10.462======================= Grid point 419 (152/580) =======================q-point: (-0.11 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.385 ( -15.968 1.706 2.168) 16.205 3.209 ( -28.246 1.114 -0.684) 28.277 4.527 ( -11.742 -1.007 -1.913) 11.940 5.057 ( -28.321 1.443 -0.276) 28.359 5.484 ( -21.179 -1.243 1.663) 21.281 6.962 ( 7.242 -0.732 -0.294) 7.285 9.265 ( -13.868 0.273 1.834) 13.992 9.617 ( -10.752 0.490 -0.433) 10.772 11.437 ( -3.972 0.494 -0.806) 4.082 12.363 ( 8.614 -0.698 -12.537) 15.227 13.222 ( 24.800 2.174 10.886) 27.171 16.045 ( 9.429 -2.047 -3.442) 10.244======================= Grid point 420 (153/580) =======================q-point: (-0.06 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.138 ( -19.180 5.992 5.576) 20.854 2.733 ( -29.400 0.946 1.146) 29.437 4.313 ( -12.394 -1.032 -4.222) 13.134 4.512 ( -37.774 4.440 2.164) 38.096 5.173 ( -19.046 3.958 1.309) 19.497 7.055 ( 5.288 -1.196 -1.400) 5.599 9.002 ( -17.939 1.187 1.797) 18.068 9.572 ( 3.944 0.149 1.190) 4.122 11.402 ( 0.244 -0.771 -0.667) 1.048 12.416 ( 2.838 0.376 -13.995) 14.284 13.671 ( 22.829 -0.153 12.033) 25.807 16.147 ( 8.011 -3.285 -7.676) 11.571======================= Grid point 426 (154/580) =======================q-point: ( 0.28 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.099 ( -0.000 13.981 8.683) 16.458 2.313 ( 0.000 24.532 2.261) 24.636 4.224 ( 0.000 36.987 -3.855) 37.187 4.252 ( 0.000 5.892 -0.705) 5.934 5.134 ( -0.000 27.066 4.190) 27.388 7.094 ( 0.000 -2.654 -1.369) 2.987 8.843 ( 0.000 16.907 1.501) 16.974 9.564 ( -0.000 -8.864 3.356) 9.478 11.395 ( 0.000 -4.107 -0.987) 4.224 11.995 ( 0.000 -0.002 -24.339) 24.339 14.005 ( -0.000 -21.169 13.332) 25.017 16.127 ( 0.000 0.510 -11.392) 11.403======================= Grid point 427 (155/580) =======================q-point: ( 0.33 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.278 ( 3.502 11.362 6.230) 13.423 2.654 ( 11.785 22.418 1.514) 25.372 4.315 ( 1.197 8.746 -2.350) 9.135 4.596 ( 7.524 26.803 -4.763) 28.244 5.438 ( 2.011 28.088 5.121) 28.622 7.050 ( -1.720 -2.665 -1.123) 3.365 9.082 ( 7.566 17.672 2.561) 19.393 9.517 ( 0.419 -3.586 3.535) 5.053 11.341 ( -1.326 -2.708 -2.194) 3.729 11.888 ( -0.429 -4.876 -22.928) 23.445 13.826 ( -1.945 -22.237 14.404) 26.566 16.057 ( -4.449 0.090 -10.505) 11.409======================= Grid point 428 (156/580) =======================q-point: ( 0.39 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.468 ( 5.890 7.808 3.591) 10.419 3.112 ( 16.955 20.265 0.830) 26.436 4.440 ( 3.848 10.234 -3.730) 11.552 4.952 ( 10.907 17.930 -4.283) 21.419 5.755 ( 2.344 25.642 4.319) 26.108 6.983 ( -3.145 -2.094 -0.083) 3.780 9.411 ( 7.619 13.143 6.239) 16.423 9.565 ( 6.310 7.517 0.279) 9.818 11.304 ( 1.359 -1.526 -4.989) 5.392 11.733 ( -2.563 -7.051 -19.290) 20.698 13.607 ( -3.939 -23.474 14.755) 28.005 15.914 ( -8.173 -0.266 -9.303) 12.386======================= Grid point 429 (157/580) =======================q-point: ( 0.44 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.640 ( 6.754 4.191 0.840) 7.992 3.591 ( 16.825 19.137 0.571) 25.488 4.606 ( 4.550 12.022 -4.956) 13.777 5.275 ( 13.113 10.027 -2.747) 16.735 6.018 ( 1.096 19.616 2.347) 19.787 6.912 ( -3.899 -0.683 1.895) 4.388 9.558 ( 2.915 5.989 2.685) 7.181 9.917 ( 12.794 19.296 3.034) 23.350 11.325 ( 5.981 -3.439 -11.280) 13.223 11.560 ( -4.504 -2.310 -11.477) 12.544 13.336 ( -6.802 -24.309 13.655) 28.699 15.734 ( -8.749 -1.071 -7.059) 11.293======================= Grid point 430 (158/580) =======================q-point: ( 0.50 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.775 ( 6.443 1.171 -1.540) 6.728 4.031 ( 12.959 19.209 0.822) 23.186 4.781 ( 3.873 12.919 -5.606) 14.605 5.563 ( 13.725 4.732 -2.038) 14.660 6.176 ( -0.685 11.517 1.045) 11.584 6.854 ( -4.273 0.509 3.987) 5.867 9.700 ( 6.317 7.641 -1.829) 10.081 10.293 ( 8.543 16.999 5.710) 19.864 11.252 ( -3.257 -5.535 -15.745) 17.004 11.587 ( 6.874 7.882 -4.336) 11.322 13.004 ( -10.333 -23.174 11.282) 27.769 15.570 ( -5.689 -3.545 -4.083) 7.849======================= Grid point 431 (159/580) =======================q-point: ( 0.56 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.868 ( 5.410 -0.859 -3.216) 6.352 4.387 ( 6.123 20.108 1.507) 21.073 4.943 ( 3.242 12.202 -5.231) 13.666 5.801 ( 10.999 3.007 -4.327) 12.196 6.239 ( -0.582 3.660 2.354) 4.390 6.798 ( -4.419 -0.498 5.418) 7.009 9.901 ( 10.325 7.569 -6.142) 14.199 10.566 ( 6.411 10.253 7.491) 14.225 11.087 ( -9.008 2.881 -9.937) 13.718 11.798 ( 7.234 10.376 -5.551) 13.813 12.644 ( -11.585 -18.142 8.420) 23.114 15.452 ( -0.768 -7.661 -1.608) 7.865======================= Grid point 432 (160/580) =======================q-point: ( 0.61 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.920 ( 3.915 -1.846 -4.041) 5.922 4.619 ( -2.639 20.203 1.714) 20.446 5.093 ( 2.982 11.233 -3.144) 12.040 5.929 ( 2.854 2.682 -9.456) 10.235 6.273 ( 3.013 -1.841 4.836) 5.988 6.735 ( -3.094 -3.568 7.056) 8.491 10.136 ( 12.818 5.128 -8.749) 16.345 10.767 ( 6.569 1.143 4.225) 7.894 10.955 ( -10.986 12.251 -0.554) 16.465 11.892 ( -5.961 5.982 -3.103) 8.997 12.399 ( -4.704 -4.959 3.196) 7.545 15.385 ( 4.059 -11.365 -0.325) 12.072======================= Grid point 433 (161/580) =======================q-point: (-0.33 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.937 ( 1.964 -1.960 -4.012) 4.878 4.695 ( -10.135 17.069 0.738) 19.864 5.232 ( -0.149 12.691 0.686) 12.710 5.882 ( -3.313 -2.847 -10.934) 11.774 6.336 ( 4.079 -1.019 2.087) 4.693 6.683 ( -0.534 -6.483 9.034) 11.132 10.347 ( 11.274 1.339 -7.503) 13.608 10.672 ( -14.440 1.562 -4.758) 15.284 11.114 ( 10.314 9.070 11.891) 18.167 11.765 ( -10.960 6.063 -1.802) 12.654 12.350 ( -3.871 2.574 -1.462) 4.874 15.370 ( 7.894 -12.020 0.145) 14.381======================= Grid point 434 (162/580) =======================q-point: (-0.28 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.920 ( -0.591 -1.390 -3.182) 3.522 4.619 ( -15.472 11.614 -0.342) 19.349 5.308 ( -8.408 14.308 3.578) 16.977 5.734 ( -1.982 -8.492 -9.824) 13.136 6.388 ( 1.946 0.293 -1.100) 2.254 6.646 ( 0.086 -6.931 9.013) 11.370 10.372 ( -18.915 -0.823 -2.122) 19.051 10.463 ( 2.844 -0.158 -3.984) 4.898 11.463 ( 16.419 7.802 11.172) 21.337 11.705 ( -3.927 10.733 -6.116) 12.962 12.249 ( -8.082 -1.848 -1.786) 8.481 15.422 ( 10.362 -8.890 0.347) 13.657======================= Grid point 435 (163/580) =======================q-point: (-0.22 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.868 ( -3.834 -0.199 -1.640) 4.175 4.404 ( -19.780 5.605 -0.971) 20.581 5.214 ( -15.393 6.490 0.668) 16.719 5.634 ( -0.670 -3.028 -4.053) 5.104 6.363 ( -5.172 -1.722 -0.890) 5.523 6.634 ( 2.814 -3.742 5.464) 7.195 10.028 ( -19.497 -0.962 -0.932) 19.543 10.412 ( -8.328 0.222 -0.546) 8.349 11.778 ( -1.641 16.002 -5.376) 16.961 11.843 ( 16.465 -0.189 -2.099) 16.600 12.089 ( 0.353 -6.994 6.412) 9.495 15.543 ( 11.336 -4.255 0.066) 12.108======================= Grid point 436 (164/580) =======================q-point: (-0.17 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.777 ( -7.587 1.709 0.474) 7.791 4.069 ( -23.064 0.511 -1.077) 23.095 4.973 ( -14.811 -1.455 -2.176) 15.041 5.581 ( -6.663 4.040 0.375) 7.801 6.167 ( -15.123 -2.190 -0.233) 15.282 6.706 ( 6.802 -1.695 1.783) 7.234 9.719 ( -16.638 0.568 0.336) 16.652 10.195 ( -16.897 -0.244 0.126) 16.900 11.716 ( -12.056 0.206 -1.274) 12.124 11.964 ( 13.153 -0.797 -16.834) 21.378 12.403 ( 23.011 2.071 15.935) 28.066 15.705 ( 10.872 -1.096 -1.439) 11.021======================= Grid point 437 (165/580) =======================q-point: (-0.11 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.653 ( -11.368 4.457 2.910) 12.552 3.651 ( -25.196 -2.304 -0.523) 25.307 4.702 ( -12.906 -4.196 -3.002) 13.899 5.462 ( -15.602 7.194 1.455) 17.242 5.845 ( -20.962 0.612 -0.461) 20.976 6.820 ( 7.976 -1.766 -0.110) 8.170 9.492 ( -12.843 2.103 2.013) 13.169 9.877 ( -18.766 -1.384 -0.306) 18.819 11.528 ( -7.574 -2.832 -0.623) 8.110 12.123 ( 12.604 -0.047 -17.076) 21.224 12.872 ( 24.370 0.761 16.239) 29.294 15.858 ( 9.188 -0.612 -4.481) 10.240======================= Grid point 438 (166/580) =======================q-point: (-0.06 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( -14.616 7.896 5.173) 17.399 3.198 ( -26.077 -2.002 0.875) 26.169 4.455 ( -10.492 -3.587 -3.179) 11.535 5.164 ( -29.734 8.800 -0.051) 31.009 5.538 ( -18.564 5.576 1.022) 19.411 6.927 ( 7.257 -2.236 -1.510) 7.743 9.304 ( -14.882 1.840 3.007) 15.294 9.616 ( -8.971 -0.092 0.467) 8.984 11.412 ( -3.252 -2.192 -0.522) 3.956 12.254 ( 9.871 -0.312 -17.389) 19.998 13.326 ( 23.521 -1.715 16.977) 29.059 15.960 ( 7.138 -2.061 -8.484) 11.278======================= Grid point 445 (167/580) =======================q-point: ( 0.33 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.369 ( -0.000 9.590 3.548) 10.225 2.769 ( 0.000 21.123 1.883) 21.207 4.358 ( 0.000 5.543 -0.865) 5.610 4.771 ( 0.000 24.362 -7.150) 25.390 5.718 ( -0.000 28.636 4.747) 29.027 7.038 ( 0.000 -2.090 -0.476) 2.143 9.188 ( -0.000 16.975 2.185) 17.115 9.514 ( -0.000 0.851 4.600) 4.678 11.327 ( 0.000 -1.798 -1.522) 2.356 11.745 ( 0.000 -8.393 -23.282) 24.749 13.671 ( -0.000 -23.148 13.958) 27.031 16.067 ( 0.000 0.581 -9.127) 9.146======================= Grid point 446 (168/580) =======================q-point: ( 0.39 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.479 ( 2.501 6.769 1.665) 7.406 3.063 ( 10.791 18.801 1.383) 21.722 4.442 ( 3.903 6.269 -1.522) 7.540 4.988 ( 3.821 18.144 -6.277) 19.576 5.998 ( 0.247 25.181 3.164) 25.380 7.010 ( -1.660 -0.673 0.579) 1.883 9.431 ( 8.212 15.682 3.788) 18.103 9.567 ( 1.439 6.250 3.124) 7.134 11.283 ( -2.460 -1.620 -4.120) 5.065 11.597 ( 1.750 -8.870 -19.308) 21.319 13.474 ( -1.941 -23.984 13.244) 27.467 16.002 ( -5.071 0.614 -7.795) 9.320======================= Grid point 447 (169/580) =======================q-point: ( 0.44 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( 4.194 3.762 0.070) 5.635 3.474 ( 16.832 16.512 0.901) 23.595 4.597 ( 6.899 8.366 -2.833) 11.208 5.199 ( 6.489 11.223 -4.016) 13.572 6.214 ( -0.966 18.534 1.101) 18.592 6.981 ( -2.906 1.821 2.070) 4.006 9.617 ( 0.078 8.879 3.654) 9.602 9.853 ( 15.821 16.184 2.158) 22.735 11.191 ( -0.410 -5.976 -10.447) 12.043 11.523 ( 1.909 -2.062 -10.628) 10.993 13.233 ( -4.072 -24.426 11.969) 27.504 15.862 ( -9.007 0.182 -6.075) 10.866======================= Grid point 448 (170/580) =======================q-point: ( 0.50 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.688 ( 4.884 1.302 -1.281) 5.215 3.927 ( 18.357 14.955 0.875) 23.694 4.799 ( 6.832 11.218 -4.521) 13.892 5.397 ( 9.495 4.522 -1.348) 10.603 6.324 ( -2.928 10.706 -0.105) 11.099 6.959 ( -4.313 3.890 3.136) 6.600 9.719 ( 1.057 9.830 -0.907) 9.928 10.276 ( 13.690 13.731 4.906) 20.001 11.123 ( 4.719 -5.102 -13.036) 14.773 11.551 ( 3.491 4.486 -5.200) 7.704 12.950 ( -6.405 -23.640 10.190) 26.528 15.675 ( -10.429 -1.249 -3.949) 11.222======================= Grid point 449 (171/580) =======================q-point: ( 0.56 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.768 ( 4.762 -0.248 -2.160) 5.235 4.366 ( 16.411 14.305 1.493) 21.821 4.990 ( 3.643 12.761 -5.872) 14.512 5.602 ( 12.652 0.187 -0.012) 12.654 6.332 ( -4.355 4.331 0.465) 6.160 6.918 ( -6.393 3.118 3.166) 7.786 9.840 ( 3.999 8.920 -5.344) 11.141 10.546 ( 6.450 3.890 6.458) 9.922 11.172 ( 2.662 7.015 -9.371) 12.005 11.707 ( 10.648 7.301 -4.658) 13.726 12.644 ( -7.908 -20.432 8.380) 23.457 15.474 ( -9.003 -4.063 -1.944) 10.066======================= Grid point 450 (172/580) =======================q-point: ( 0.61 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.828 ( 4.080 -0.850 -2.487) 4.853 4.748 ( 10.882 15.019 2.909) 18.774 5.117 ( 1.299 9.739 -6.000) 11.512 5.815 ( 11.876 1.029 -2.329) 12.146 6.278 ( -4.231 -1.105 2.647) 5.112 6.824 ( -7.588 -0.004 3.035) 8.172 9.988 ( 7.590 6.239 -7.524) 12.375 10.678 ( 6.542 -0.098 5.249) 8.388 11.206 ( -6.962 9.541 -2.300) 12.033 11.960 ( 7.928 9.980 -5.928) 14.056 12.390 ( -4.048 -12.874 6.487) 14.974 15.295 ( -4.934 -7.350 -0.606) 8.873======================= Grid point 451 (173/580) =======================q-point: ( 0.67 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.872 ( 2.962 -0.644 -2.279) 3.792 4.985 ( -3.938 15.536 2.451) 16.214 5.228 ( 8.290 4.219 -3.100) 9.805 5.935 ( -2.091 4.462 -7.444) 8.927 6.233 ( 3.803 -5.684 5.092) 8.526 6.703 ( -5.715 -3.361 3.740) 7.612 10.160 ( 10.037 3.373 -6.166) 12.253 10.805 ( 3.260 3.840 -1.299) 5.202 11.119 ( -6.509 -0.394 6.165) 8.974 12.012 ( -8.044 8.042 -1.710) 11.503 12.366 ( 3.731 -0.470 0.177) 3.765 15.183 ( 1.398 -8.494 -0.010) 8.608======================= Grid point 452 (174/580) =======================q-point: (-0.28 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.900 ( 1.363 0.207 -1.551) 2.075 4.945 ( -12.429 7.255 -0.417) 14.398 5.436 ( 9.034 5.670 1.629) 10.790 5.779 ( -14.002 0.296 -5.089) 14.901 6.316 ( 6.609 -1.358 -0.562) 6.771 6.612 ( -1.665 -5.420 4.967) 7.538 10.336 ( 9.211 1.859 -2.951) 9.849 10.691 ( -17.822 3.268 -4.208) 18.601 11.203 ( 15.305 -4.655 6.736) 17.358 11.950 ( -8.126 9.189 0.447) 12.274 12.355 ( -5.606 -0.103 -1.897) 5.919 15.192 ( 7.841 -5.423 0.072) 9.534======================= Grid point 453 (175/580) =======================q-point: (-0.22 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.910 ( -0.831 1.586 -0.327) 1.820 4.734 ( -16.426 0.040 -0.983) 16.456 5.477 ( -11.418 -8.732 -6.280) 15.687 5.633 ( -0.432 12.248 6.358) 13.807 6.378 ( 1.483 0.749 -4.165) 4.484 6.575 ( 1.263 -5.073 4.694) 7.026 10.365 ( -20.478 1.260 -0.586) 20.525 10.458 ( 2.328 1.846 -1.428) 3.296 11.460 ( 18.125 -5.602 -4.134) 19.416 11.941 ( 0.265 2.180 6.066) 6.452 12.185 ( -12.946 1.643 -1.417) 13.127 15.328 ( 11.068 -0.302 -0.303) 11.076======================= Grid point 454 (176/580) =======================q-point: (-0.17 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.899 ( -3.610 3.436 1.284) 5.147 4.402 ( -19.546 -5.167 -1.071) 20.246 5.160 ( -13.729 -7.985 -4.172) 16.421 5.739 ( -3.243 10.381 5.619) 12.241 6.332 ( -6.430 0.560 -4.296) 7.754 6.595 ( 4.528 -2.980 2.157) 5.834 10.041 ( -19.619 2.565 0.113) 19.786 10.418 ( -9.331 0.365 0.200) 9.340 11.585 ( 10.488 -12.345 -13.519) 21.098 11.957 ( -4.312 -2.435 -0.831) 5.021 12.164 ( 10.346 6.413 12.855) 17.704 15.527 ( 10.661 3.246 -1.431) 11.236======================= Grid point 455 (177/580) =======================q-point: (-0.11 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.864 ( -6.706 5.711 3.007) 9.308 3.993 ( -21.319 -7.287 -0.734) 22.542 4.849 ( -12.706 -7.682 -3.302) 15.210 5.756 ( -8.916 10.200 4.568) 14.297 6.152 ( -14.375 2.207 -4.277) 15.160 6.673 ( 6.970 -2.507 0.569) 7.429 9.773 ( -16.479 4.061 1.591) 17.046 10.166 ( -17.801 -2.793 -0.422) 18.023 11.534 ( 2.113 -10.959 -4.761) 12.134 11.920 ( 3.169 2.700 -13.102) 13.748 12.531 ( 22.254 -1.605 16.498) 27.749 15.714 ( 8.026 3.996 -3.600) 9.661======================= Grid point 456 (178/580) =======================q-point: (-0.06 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( -9.716 8.225 4.328) 13.445 3.563 ( -21.859 -5.852 0.235) 22.630 4.576 ( -10.566 -5.790 -2.809) 12.371 5.653 ( -17.576 10.406 1.597) 20.488 5.897 ( -17.616 5.493 -2.403) 18.609 6.771 ( 7.624 -2.888 -0.510) 8.169 9.571 ( -13.864 3.491 3.222) 14.655 9.836 ( -16.574 -1.605 -0.475) 16.658 11.443 ( -2.822 -4.015 -0.757) 4.965 11.998 ( 10.648 -1.390 -17.832) 20.815 12.952 ( 24.684 -5.099 17.353) 30.601 15.835 ( 4.614 2.536 -6.691) 8.515======================= Grid point 464 (179/580) =======================q-point: ( 0.39 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( 0.000 4.836 0.002) 4.836 3.147 ( 0.000 16.736 1.578) 16.811 4.451 ( 0.000 4.628 -0.932) 4.721 5.104 ( 0.000 15.609 -6.028) 16.732 6.230 ( 0.000 20.719 1.356) 20.763 7.031 ( -0.000 1.801 1.374) 2.265 9.506 ( -0.000 13.924 2.407) 14.130 9.649 ( -0.000 9.433 4.640) 10.512 11.310 ( 0.000 1.242 -1.755) 2.150 11.396 ( 0.000 -11.750 -19.839) 23.057 13.300 ( -0.000 -24.200 11.598) 26.836 16.030 ( 0.000 1.077 -6.366) 6.456======================= Grid point 465 (180/580) =======================q-point: ( 0.44 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.569 ( 1.915 2.684 -0.743) 3.380 3.391 ( 10.344 14.139 1.207) 17.560 4.539 ( 5.711 4.800 -1.258) 7.566 5.233 ( 1.664 11.418 -4.402) 12.350 6.392 ( -1.039 13.828 -0.315) 13.871 7.058 ( -1.485 5.026 2.066) 5.633 9.719 ( 5.667 11.577 4.545) 13.667 9.780 ( 4.774 12.755 1.408) 13.692 11.142 ( -5.409 -8.628 -12.158) 15.859 11.406 ( 6.199 0.066 -6.340) 8.867 13.087 ( -1.999 -23.835 9.796) 25.847 15.975 ( -5.526 1.034 -4.865) 7.435======================= Grid point 466 (181/580) =======================q-point: ( 0.50 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( 3.266 0.984 -0.986) 3.551 3.753 ( 17.071 11.592 0.885) 20.653 4.723 ( 10.270 6.311 -2.138) 12.242 5.346 ( 2.820 6.467 -2.074) 7.354 6.459 ( -2.754 7.327 -0.944) 7.885 7.086 ( -3.247 6.760 2.072) 7.780 9.841 ( -2.419 12.188 1.251) 12.488 10.134 ( 17.905 10.722 2.158) 20.981 10.973 ( 0.591 -7.369 -9.810) 12.283 11.501 ( 5.157 3.389 -4.371) 7.562 12.843 ( -3.952 -22.346 7.884) 24.024 15.837 ( -10.057 0.379 -3.245) 10.575======================= Grid point 467 (182/580) =======================q-point: ( 0.56 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.689 ( 3.901 0.038 -0.971) 4.020 4.170 ( 19.822 9.322 0.923) 21.924 4.972 ( 10.840 9.442 -3.747) 14.856 5.443 ( 5.342 0.678 0.666) 5.426 6.444 ( -4.408 3.047 -0.494) 5.381 7.077 ( -6.071 5.498 1.385) 8.307 9.906 ( -2.235 10.435 -3.095) 11.111 10.464 ( 9.689 2.060 4.371) 10.827 11.042 ( 14.520 4.616 -7.687) 17.066 11.609 ( 5.371 3.369 -2.533) 6.827 12.587 ( -5.332 -18.827 6.080) 20.490 15.633 ( -12.624 -1.017 -1.745) 12.785======================= Grid point 468 (183/580) =======================q-point: ( 0.61 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.751 ( 3.913 -0.168 -0.785) 3.995 4.585 ( 19.621 7.114 1.349) 20.915 5.193 ( 3.011 11.964 -4.903) 13.276 5.573 ( 12.878 -3.858 2.126) 13.611 6.373 ( -5.956 0.229 0.499) 5.982 6.990 ( -9.229 2.492 0.517) 9.573 9.961 ( 0.830 7.144 -4.576) 8.524 10.581 ( 5.856 -2.134 4.378) 7.616 11.336 ( 4.782 12.455 -4.431) 14.058 11.768 ( 15.497 0.076 -2.291) 15.666 12.366 ( -4.820 -11.839 4.775) 13.645 15.397 ( -12.463 -2.725 -0.675) 12.775======================= Grid point 469 (184/580) =======================q-point: ( 0.67 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( 3.492 0.245 -0.468) 3.531 4.961 ( 17.843 4.186 1.607) 18.398 5.247 ( -5.210 7.047 -2.204) 9.037 5.812 ( 16.264 -0.146 -1.339) 16.320 6.253 ( -7.647 -2.275 2.044) 8.236 6.832 ( -10.389 -0.444 -0.077) 10.399 10.055 ( 5.198 4.665 -2.526) 7.427 10.697 ( 8.779 -0.909 2.113) 9.075 11.317 ( -11.942 2.548 -0.247) 12.214 12.073 ( 12.909 5.132 -5.615) 14.984 12.257 ( 1.229 -5.032 5.344) 7.442 15.186 ( -8.340 -3.100 -0.130) 8.898======================= Grid point 470 (185/580) =======================q-point: (-0.28 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( 2.724 1.171 0.021) 2.965 5.141 ( -5.155 -3.939 -3.153) 7.214 5.277 ( 10.209 4.791 4.211) 12.037 6.009 ( -4.209 7.230 -5.046) 9.770 6.139 ( 6.128 -6.501 4.189) 9.867 6.662 ( -7.633 -1.969 -0.220) 7.886 10.207 ( 8.303 3.794 0.392) 9.137 10.865 ( 9.994 1.595 -2.902) 10.528 11.071 ( -14.392 -4.593 2.870) 15.377 12.104 ( -5.419 0.290 -0.773) 5.482 12.368 ( 5.678 0.471 0.414) 5.713 15.094 ( 0.039 -0.018 -0.000) 0.043======================= Grid point 471 (186/580) =======================q-point: (-0.22 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.924 ( 1.535 2.515 0.747) 3.040 4.931 ( -11.506 -7.851 -1.389) 13.998 5.415 ( 2.851 -6.218 -0.861) 6.894 5.891 ( -9.945 8.598 5.722) 14.338 6.287 ( 8.742 0.111 -3.776) 9.523 6.553 ( -2.892 -2.219 -0.266) 3.655 10.390 ( 7.820 3.978 2.017) 9.003 10.729 ( -20.330 2.207 -1.076) 20.478 11.096 ( 16.470 -7.082 -2.702) 18.131 11.964 ( -6.223 -8.123 1.597) 10.357 12.377 ( -5.263 2.183 0.306) 5.706 15.189 ( 7.654 5.231 -0.197) 9.273======================= Grid point 472 (187/580) =======================q-point: (-0.17 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.972 ( -0.205 4.154 1.681) 4.486 4.607 ( -15.074 -11.635 -1.142) 19.077 5.244 ( -9.080 -11.229 -3.096) 14.769 5.927 ( -3.208 11.392 8.955) 14.841 6.367 ( 1.540 1.646 -6.066) 6.471 6.519 ( 1.402 -2.173 -0.225) 2.596 10.408 ( -20.300 3.094 -0.018) 20.535 10.515 ( -0.009 3.306 2.379) 4.073 11.236 ( 12.040 -12.090 -10.358) 19.961 11.834 ( 3.419 -10.380 5.832) 12.388 12.285 ( -7.345 2.476 1.824) 7.963 15.410 ( 9.707 8.760 -0.751) 13.097======================= Grid point 473 (188/580) =======================q-point: (-0.11 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.006 ( -2.483 5.918 2.621) 6.932 4.214 ( -16.995 -12.462 -0.938) 21.095 4.952 ( -11.175 -10.478 -2.459) 15.515 5.994 ( -5.392 10.322 7.094) 13.636 6.328 ( -5.992 2.986 -7.219) 9.845 6.551 ( 4.755 -2.392 0.723) 5.372 10.118 ( -18.784 3.981 1.548) 19.264 10.406 ( -13.831 -2.257 -0.317) 14.017 11.261 ( 11.394 -10.372 -9.477) 18.089 11.884 ( 4.139 -3.822 -1.618) 5.862 12.270 ( 7.568 -3.832 9.086) 12.430 15.643 ( 7.402 9.365 -1.848) 12.079======================= Grid point 474 (189/580) =======================q-point: (-0.06 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.018 ( -5.078 7.547 3.148) 9.625 3.814 ( -17.263 -9.713 -0.322) 19.810 4.674 ( -9.980 -7.985 -2.038) 12.943 5.983 ( -9.896 9.634 3.919) 14.357 6.186 ( -12.142 4.863 -6.833) 14.757 6.626 ( 6.369 -2.763 1.555) 7.114 9.862 ( -16.131 1.298 2.886) 16.439 10.104 ( -17.108 -0.695 -1.373) 17.177 11.354 ( 8.736 -3.186 -5.174) 10.642 11.838 ( -0.497 -2.816 -10.930) 11.298 12.526 ( 23.257 -9.703 13.926) 28.792 15.807 ( 3.129 7.683 -3.576) 9.034======================= Grid point 483 (190/580) =======================q-point: ( 0.44 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.570 ( 0.000 1.416 -0.851) 1.652 3.430 ( 0.000 11.522 1.157) 11.580 4.522 ( 0.000 3.343 -0.864) 3.453 5.310 ( 0.000 9.342 -3.313) 9.912 6.505 ( 0.000 8.347 -1.195) 8.432 7.137 ( -0.000 7.338 1.588) 7.508 9.742 ( -0.000 8.901 1.862) 9.094 9.916 ( -0.000 14.622 3.921) 15.139 11.055 ( 0.000 -11.160 -14.076) 17.963 11.347 ( 0.000 3.376 -1.340) 3.632 12.910 ( -0.000 -22.365 7.516) 23.594 16.021 ( 0.000 1.299 -3.595) 3.823======================= Grid point 484 (191/580) =======================q-point: ( 0.50 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( 1.647 0.493 -0.230) 1.734 3.619 ( 10.233 8.683 0.842) 13.447 4.608 ( 7.054 3.134 -0.993) 7.782 5.382 ( 0.356 6.340 -1.552) 6.536 6.547 ( -1.626 4.337 -1.351) 4.825 7.201 ( -1.624 7.263 0.769) 7.482 9.926 ( 10.959 6.757 2.281) 13.075 10.056 ( -1.273 14.815 1.546) 14.950 10.883 ( -2.140 -9.219 -8.888) 12.984 11.429 ( 5.307 3.461 -1.866) 6.605 12.711 ( -1.953 -19.602 5.252) 20.387 15.972 ( -5.940 1.057 -2.308) 6.459======================= Grid point 485 (192/580) =======================q-point: ( 0.56 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.633 ( 2.838 0.116 0.564) 2.896 3.927 ( 17.358 5.852 0.642) 18.330 4.808 ( 13.198 3.721 -1.484) 13.792 5.430 ( 0.146 2.993 0.479) 3.035 6.531 ( -3.363 1.931 -1.054) 4.019 7.217 ( -4.032 5.108 -0.151) 6.509 10.079 ( -5.137 11.256 0.284) 12.376 10.277 ( 15.247 2.771 0.761) 15.516 10.826 ( 8.165 -2.474 -4.163) 9.493 11.550 ( 5.280 2.936 -1.165) 6.153 12.510 ( -3.439 -15.042 3.127) 15.744 15.830 ( -11.041 0.436 -1.159) 11.110======================= Grid point 486 (193/580) =======================q-point: ( 0.61 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.690 ( 3.444 0.197 1.133) 3.631 4.294 ( 20.548 2.942 0.681) 20.769 5.099 ( 16.615 5.340 -2.583) 17.642 5.446 ( 0.024 -1.115 2.768) 2.984 6.469 ( -5.020 0.462 -0.556) 5.072 7.155 ( -7.390 2.075 -1.135) 7.759 10.063 ( -5.582 6.981 -0.903) 8.984 10.460 ( 7.455 -3.272 2.255) 8.448 11.144 ( 25.391 7.401 -3.505) 26.679 11.621 ( 1.336 -1.233 0.586) 1.910 12.345 ( -3.233 -8.078 1.440) 8.819 15.614 ( -14.253 -0.175 -0.348) 14.258======================= Grid point 487 (194/580) =======================q-point: (-0.33 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.758 ( 3.611 0.637 1.387) 3.921 4.654 ( 20.298 -0.611 0.572) 20.316 5.372 ( -0.322 7.704 -1.073) 7.785 5.485 ( 16.900 -6.060 2.147) 18.081 6.370 ( -6.716 -0.305 0.078) 6.723 7.005 ( -10.438 -0.550 -2.092) 10.660 10.060 ( -0.617 3.787 2.166) 4.406 10.546 ( 6.986 -3.059 0.244) 7.630 11.520 ( -7.729 4.623 -1.013) 9.063 11.694 ( 28.129 -1.542 -1.172) 28.196 12.261 ( -2.116 -2.355 1.072) 3.343 15.370 ( -14.095 0.315 0.058) 14.098======================= Grid point 488 (195/580) =======================q-point: (-0.28 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.832 ( 3.532 1.431 1.459) 4.081 4.928 ( 14.866 -6.854 -1.169) 16.412 5.332 ( -3.854 -1.082 5.694) 6.960 5.797 ( 18.979 0.736 -3.056) 19.238 6.242 ( -8.616 0.119 1.173) 8.697 6.803 ( -10.762 -1.445 -2.858) 11.229 10.140 ( 4.941 2.579 5.588) 7.892 10.647 ( 9.612 -4.057 -2.487) 10.725 11.325 ( -14.100 -1.192 0.483) 14.159 12.116 ( 14.271 5.031 -5.920) 16.249 12.205 ( 1.248 -5.795 4.692) 7.560 15.189 ( -8.551 3.463 0.175) 9.228======================= Grid point 489 (196/580) =======================q-point: (-0.22 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.913 ( 3.217 2.572 1.539) 4.397 4.930 ( -1.333 -14.259 -2.042) 14.466 5.322 ( 2.100 -4.991 5.126) 7.457 6.071 ( 12.358 -1.651 0.401) 12.475 6.122 ( -5.761 5.674 -0.090) 8.086 6.626 ( -7.546 -0.376 -3.731) 8.427 10.302 ( 8.482 2.381 7.147) 11.344 10.768 ( 12.291 -6.960 -4.355) 14.781 11.061 ( -16.925 0.655 0.257) 16.940 12.021 ( -9.171 -6.411 -1.060) 11.239 12.367 ( 6.979 -1.450 0.429) 7.141 15.184 ( 1.056 8.694 0.115) 8.759======================= Grid point 490 (197/580) =======================q-point: (-0.17 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.998 ( 2.471 3.944 1.703) 4.956 4.672 ( -9.478 -16.765 -0.970) 19.283 5.238 ( -4.236 -11.669 0.598) 12.428 6.100 ( -2.413 6.652 10.047) 12.288 6.268 ( 8.632 0.862 -5.206) 10.117 6.523 ( -3.443 1.023 -5.240) 6.353 10.490 ( 7.453 2.246 5.499) 9.530 10.763 ( -17.378 0.865 4.225) 17.905 10.890 ( 11.208 -10.289 -9.274) 17.819 11.787 ( -7.672 -7.820 0.457) 10.964 12.372 ( -2.694 -3.605 0.569) 4.536 15.367 ( 7.457 12.255 -0.093) 14.346======================= Grid point 491 (198/580) =======================q-point: (-0.11 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.079 ( 1.086 5.301 1.844) 5.716 4.317 ( -12.562 -16.563 -0.698) 20.800 5.001 ( -8.615 -12.513 -0.814) 15.214 6.175 ( -2.290 7.602 8.926) 11.946 6.355 ( 2.833 0.776 -4.270) 5.183 6.490 ( 0.302 0.814 -4.649) 4.729 10.453 ( -18.135 -2.174 1.909) 18.364 10.559 ( -4.893 -2.302 1.689) 5.665 10.960 ( 11.166 -4.501 -7.094) 13.974 11.711 ( 5.772 -4.778 2.157) 7.797 12.247 ( -5.170 -7.157 1.383) 8.937 15.622 ( 7.660 12.570 -0.509) 14.729======================= Grid point 492 (199/580) =======================q-point: (-0.06 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.143 ( -0.982 6.248 1.672) 6.542 3.955 ( -12.906 -12.912 -0.400) 18.261 4.739 ( -8.669 -10.015 -1.031) 13.286 6.203 ( -5.293 6.696 4.405) 9.605 6.340 ( -4.567 3.670 -8.798) 10.570 6.525 ( 4.164 -1.355 3.545) 5.634 10.109 ( -15.807 -9.291 2.206) 18.468 10.388 ( -14.254 4.617 -1.610) 15.070 11.136 ( 12.023 2.840 -5.989) 13.729 11.792 ( 3.103 -3.895 -3.366) 6.011 12.155 ( 8.729 -12.952 7.518) 17.334 15.832 ( 3.975 10.459 -1.247) 11.258======================= Grid point 502 (200/580) =======================q-point: ( 0.50 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.582 ( -0.000 0.183 1.100) 1.115 3.603 ( 0.000 5.744 0.604) 5.776 4.567 ( 0.000 1.857 -0.689) 1.981 5.430 ( 0.000 4.566 -0.125) 4.568 6.588 ( 0.000 2.408 -1.462) 2.817 7.279 ( 0.000 5.649 -0.375) 5.662 9.873 ( -0.000 3.856 0.663) 3.912 10.240 ( -0.000 15.659 3.432) 16.030 10.782 ( 0.000 -9.766 -7.072) 12.058 11.407 ( 0.000 2.961 -0.327) 2.979 12.572 ( -0.000 -15.175 2.617) 15.399 16.028 ( 0.000 1.064 -1.309) 1.687======================= Grid point 503 (201/580) =======================q-point: ( 0.56 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.603 ( 1.494 0.165 2.484) 2.904 3.734 ( 10.275 2.760 0.360) 10.645 4.646 ( 7.838 1.299 -0.696) 7.976 5.464 ( -0.322 2.360 1.574) 2.855 6.585 ( -1.826 1.162 -1.389) 2.572 7.303 ( -1.853 2.877 -1.323) 3.669 10.012 ( 12.591 1.584 0.191) 12.692 10.332 ( -6.627 10.515 1.391) 12.507 10.693 ( 2.581 -5.415 -1.639) 6.219 11.480 ( 5.204 1.970 0.160) 5.567 12.442 ( -1.865 -9.124 0.135) 9.314 15.981 ( -6.234 0.754 -0.410) 6.293======================= Grid point 504 (202/580) =======================q-point: (-0.39 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.649 ( 2.569 0.285 3.265) 4.164 3.985 ( 17.522 -0.246 0.356) 17.527 4.843 ( 14.645 0.649 -0.845) 14.684 5.473 ( -1.151 0.297 3.186) 3.401 6.542 ( -3.588 0.309 -1.180) 3.790 7.258 ( -4.434 -0.279 -2.327) 5.015 10.242 ( -6.747 -1.483 1.296) 7.028 10.262 ( 11.942 1.501 0.075) 12.036 10.817 ( 14.571 2.282 0.836) 14.773 11.585 ( 4.389 0.767 1.230) 4.622 12.343 ( -2.826 -2.034 -1.927) 3.980 15.837 ( -11.520 0.535 0.228) 11.534======================= Grid point 505 (203/580) =======================q-point: (-0.33 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.713 ( 3.268 0.474 3.250) 4.634 4.292 ( 20.455 -3.522 0.537) 20.763 5.123 ( 18.827 -1.933 -0.521) 18.933 5.455 ( -2.138 -0.146 3.917) 4.465 6.466 ( -5.109 -0.216 -0.818) 5.178 7.132 ( -7.488 -2.911 -3.431) 8.736 10.127 ( -3.797 -3.659 5.198) 7.404 10.416 ( 6.262 -0.127 -1.930) 6.554 11.197 ( 26.618 -1.572 1.706) 26.718 11.630 ( -0.648 2.555 1.187) 2.891 12.297 ( -2.855 3.350 -3.061) 5.361 15.624 ( -14.414 1.148 0.560) 14.470======================= Grid point 506 (204/580) =======================q-point: (-0.28 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.789 ( 3.822 0.877 2.701) 4.761 4.573 ( 18.527 -7.934 0.316) 20.157 5.313 ( 5.431 -11.417 6.571) 14.249 5.526 ( 11.572 6.110 -2.434) 13.310 6.365 ( -6.237 -0.423 -0.101) 6.252 6.941 ( -9.418 -3.699 -4.336) 11.008 10.096 ( 2.803 -5.465 8.351) 10.367 10.490 ( 4.795 -0.313 -4.286) 6.438 11.430 ( 1.149 -8.672 5.082) 10.117 11.799 ( 18.695 6.049 -0.497) 19.655 12.264 ( -5.232 4.912 -4.341) 8.387 15.412 ( -12.857 3.659 0.709) 13.387======================= Grid point 507 (205/580) =======================q-point: (-0.22 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.877 ( 4.302 1.643 1.996) 5.019 4.710 ( 9.347 -14.538 -0.546) 17.292 5.258 ( 0.527 -10.631 7.519) 13.032 5.812 ( 16.099 2.578 -3.268) 16.628 6.260 ( -5.833 0.172 1.580) 6.046 6.742 ( -8.562 -1.857 -4.996) 10.085 10.168 ( 9.072 -6.971 9.588) 14.927 10.554 ( 6.082 -1.270 -6.203) 8.779 11.288 ( -10.714 -3.948 5.417) 12.638 12.076 ( 5.127 -10.365 4.973) 12.587 12.225 ( 1.023 11.635 -9.328) 14.947 15.309 ( -5.594 8.147 0.777) 9.913======================= Grid point 508 (206/580) =======================q-point: (-0.17 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.977 ( 4.498 2.728 1.352) 5.431 4.594 ( -2.276 -19.184 -0.271) 19.321 5.171 ( -1.081 -12.680 4.052) 13.356 6.063 ( 12.963 0.379 -1.238) 13.028 6.215 ( -1.523 2.247 3.978) 4.816 6.598 ( -5.950 0.910 -6.074) 8.552 10.314 ( 13.018 -8.294 8.010) 17.391 10.623 ( 7.404 -4.263 -7.486) 11.360 11.056 ( -15.379 -2.169 7.412) 17.209 11.913 ( -10.751 -3.038 -1.480) 11.270 12.332 ( 2.191 -0.224 -2.950) 3.681 15.395 ( 3.352 11.966 0.679) 12.446======================= Grid point 509 (207/580) =======================q-point: (-0.11 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.085 ( 4.039 3.851 0.748) 5.630 4.313 ( -7.823 -19.246 0.010) 20.775 4.992 ( -5.457 -13.879 1.057) 14.950 6.243 ( 8.749 -0.372 -2.573) 9.127 6.266 ( 1.390 2.911 9.494) 10.027 6.515 ( -3.343 2.489 -7.637) 8.701 10.454 ( 9.504 -11.947 1.945) 15.389 10.578 ( -2.610 -12.802 -2.430) 13.290 10.894 ( -4.745 8.328 5.530) 11.066 11.732 ( -8.477 2.334 -1.766) 8.968 12.261 ( -5.049 -6.633 -1.420) 8.456 15.617 ( 7.474 12.613 0.408) 14.667======================= Grid point 510 (208/580) =======================q-point: (-0.06 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.184 ( 2.601 4.506 -0.000) 5.203 3.999 ( -8.904 -15.421 -0.000) 17.807 4.761 ( -6.704 -11.612 0.000) 13.409 6.301 ( 0.589 1.021 0.000) 1.179 6.366 ( 1.494 2.588 -0.000) 2.988 6.490 ( 0.804 1.393 0.000) 1.609 10.204 ( -10.592 -18.346 0.000) 21.184 10.556 ( -0.033 -0.057 0.000) 0.066 11.032 ( 6.054 10.486 -0.000) 12.108 11.686 ( 0.880 1.524 0.000) 1.759 12.059 ( -6.890 -11.933 -0.000) 13.779 15.850 ( 6.024 10.433 -0.000) 12.048======================= Grid point 522 (209/580) =======================q-point: (-0.44 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.604 ( -0.000 0.213 4.342) 4.347 3.658 ( -0.000 -0.285 0.050) 0.289 4.584 ( 0.000 0.278 -0.472) 0.548 5.490 ( -0.000 0.632 3.148) 3.211 6.604 ( 0.000 0.474 -1.540) 1.611 7.325 ( 0.000 -0.160 -2.260) 2.266 9.905 ( 0.000 -0.473 -0.715) 0.858 10.446 ( 0.000 -4.741 -1.326) 4.923 10.668 ( -0.000 7.516 5.261) 9.174 11.443 ( -0.000 0.313 0.844) 0.900 12.400 ( 0.000 -1.828 -2.647) 3.217 16.041 ( -0.000 0.610 0.309) 0.684======================= Grid point 523 (210/580) =======================q-point: (-0.39 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.633 ( 1.292 0.068 5.323) 5.478 3.730 ( 10.381 -3.278 -0.019) 10.887 4.649 ( 7.949 -0.608 -0.407) 7.983 5.496 ( -0.486 -1.254 4.693) 4.881 6.584 ( -1.844 -0.243 -1.510) 2.396 7.283 ( -1.940 -3.354 -3.297) 5.088 9.993 ( 11.854 -3.061 -1.563) 12.343 10.317 ( -2.968 -11.063 0.200) 11.456 10.787 ( -0.780 11.460 7.156) 13.534 11.499 ( 5.819 -0.686 1.999) 6.191 12.389 ( -1.875 5.430 -5.032) 7.637 15.995 ( -6.291 0.503 0.842) 6.367======================= Grid point 524 (211/580) =======================q-point: (-0.33 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.680 ( 2.368 -0.317 4.983) 5.526 3.924 ( 17.555 -6.269 0.340) 18.644 4.822 ( 14.034 -2.420 -0.181) 14.243 5.483 ( -0.857 -2.544 5.644) 6.250 6.528 ( -3.429 -1.111 -1.276) 3.824 7.173 ( -4.238 -5.867 -4.510) 8.527 10.080 ( 1.934 -11.756 0.114) 11.914 10.271 ( 10.401 -4.788 0.594) 11.466 10.938 ( 6.348 8.103 6.669) 12.265 11.603 ( 5.283 -0.581 3.939) 6.615 12.406 ( -3.412 11.104 -6.999) 13.562 15.855 ( -11.243 0.960 1.161) 11.343======================= Grid point 525 (212/580) =======================q-point: (-0.28 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( 3.520 -0.603 3.686) 5.132 4.168 ( 19.662 -9.709 0.824) 21.944 5.032 ( 14.568 -7.304 1.678) 16.382 5.477 ( 1.574 -1.044 4.282) 4.680 6.441 ( -4.500 -2.492 -0.747) 5.198 7.006 ( -6.251 -6.284 -5.475) 10.418 9.982 ( 2.168 -12.975 3.845) 13.705 10.393 ( 7.330 -3.705 -2.289) 8.527 11.206 ( 14.566 1.898 8.417) 16.930 11.684 ( 3.918 -0.284 4.562) 6.020 12.431 ( -5.550 14.488 -9.054) 17.963 15.667 ( -13.037 2.645 1.423) 13.378======================= Grid point 526 (213/580) =======================q-point: (-0.22 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.813 ( 4.819 -0.402 2.098) 5.271 4.359 ( 15.514 -14.443 0.859) 21.214 5.116 ( 5.725 -13.126 6.082) 15.558 5.596 ( 11.194 1.901 -0.489) 11.365 6.330 ( -4.330 -4.343 0.418) 6.147 6.826 ( -6.777 -3.617 -5.724) 9.579 9.950 ( 7.323 -12.767 4.816) 15.486 10.439 ( 5.027 -4.963 -3.624) 7.940 11.389 ( -0.412 0.195 12.094) 12.103 11.803 ( 12.017 -6.382 4.211) 14.243 12.435 ( -7.989 17.703 -11.976) 22.818 15.514 ( -9.798 5.807 1.783) 11.528======================= Grid point 527 (214/580) =======================q-point: (-0.17 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.908 ( 5.992 0.368 0.653) 6.038 4.378 ( 5.764 -19.490 0.706) 20.337 5.057 ( 1.308 -14.071 5.698) 15.238 5.828 ( 14.405 0.532 -2.144) 14.573 6.241 ( -0.968 -4.529 3.078) 5.561 6.683 ( -5.985 0.152 -5.597) 8.195 10.009 ( 12.223 -12.369 3.703) 17.779 10.449 ( 5.424 -8.879 -3.621) 11.017 11.316 ( -12.488 1.853 12.557) 17.806 11.900 ( 6.018 -10.187 4.165) 12.544 12.432 ( -8.063 16.901 -12.325) 22.418 15.491 ( -2.048 9.156 2.014) 9.596======================= Grid point 528 (215/580) =======================q-point: (-0.11 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.023 ( 6.537 1.441 -0.566) 6.718 4.206 ( -2.125 -20.845 0.705) 20.965 4.925 ( -2.310 -14.507 2.773) 14.950 6.048 ( 12.652 -0.842 -2.808) 12.987 6.249 ( 4.008 -3.083 7.197) 8.796 6.587 ( -4.998 2.442 -5.688) 7.957 10.125 ( 13.979 -12.568 0.274) 18.800 10.407 ( 4.043 -15.069 -0.827) 15.624 11.161 ( -12.890 6.317 10.077) 17.539 11.862 ( -2.627 -3.529 2.738) 5.181 12.365 ( -11.266 8.626 -9.322) 16.977 15.624 ( 5.068 10.374 1.791) 11.684======================= Grid point 541 (216/580) =======================q-point: (-0.39 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.641 ( -0.000 -0.587 6.625) 6.651 3.594 ( -0.000 -6.279 -0.316) 6.287 4.571 ( 0.000 -1.329 -0.296) 1.362 5.496 ( -0.000 -3.401 6.283) 7.145 6.587 ( 0.000 -1.349 -1.610) 2.100 7.239 ( 0.000 -6.243 -4.339) 7.603 9.847 ( 0.000 -4.675 -1.825) 5.019 10.195 ( -0.000 -16.054 -0.653) 16.067 10.984 ( -0.000 15.049 12.191) 19.367 11.429 ( -0.000 -2.451 1.748) 3.010 12.469 ( 0.000 11.825 -7.468) 13.985 16.056 ( -0.000 0.436 1.320) 1.390======================= Grid point 542 (217/580) =======================q-point: (-0.33 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.661 ( 1.053 -1.759 6.319) 6.643 3.609 ( 10.605 -9.111 -0.063) 13.981 4.617 ( 7.422 -2.474 -0.179) 7.825 5.474 ( -0.182 -5.495 7.416) 9.232 6.545 ( -1.620 -3.512 -1.565) 4.172 7.138 ( -1.811 -7.747 -5.429) 9.632 9.870 ( 8.505 -8.372 -2.831) 12.265 10.049 ( 3.060 -15.421 0.857) 15.745 11.101 ( -5.962 12.811 11.652) 18.315 11.497 ( 7.689 -0.831 5.145) 9.288 12.560 ( -2.082 16.411 -9.501) 19.077 16.014 ( -6.050 0.765 1.631) 6.313======================= Grid point 543 (218/580) =======================q-point: (-0.28 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.685 ( 2.495 -3.001 4.419) 5.895 3.752 ( 17.500 -11.881 0.776) 21.166 4.750 ( 11.920 -5.032 0.465) 12.947 5.443 ( 0.786 -6.466 7.261) 9.754 6.452 ( -2.606 -7.440 -1.577) 8.040 7.003 ( -3.545 -6.304 -5.945) 9.362 9.820 ( 1.845 -14.124 -0.814) 14.267 10.101 ( 15.051 -11.962 -0.796) 19.242 11.185 ( 0.531 9.483 9.979) 13.777 11.637 ( 4.515 0.869 9.384) 10.450 12.645 ( -4.299 19.231 -11.519) 22.825 15.892 ( -10.273 1.896 1.985) 10.634======================= Grid point 544 (219/580) =======================q-point: (-0.22 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.722 ( 4.600 -3.569 1.958) 6.142 3.934 ( 18.315 -15.227 1.440) 23.861 4.879 ( 10.041 -9.951 2.912) 14.433 5.454 ( 5.821 -4.685 4.318) 8.630 6.309 ( -2.250 -11.980 -1.527) 12.285 6.872 ( -4.790 -2.134 -5.278) 7.440 9.734 ( 4.366 -13.172 0.510) 13.886 10.201 ( 11.554 -13.684 -2.310) 18.058 11.384 ( 8.848 6.540 11.263) 15.745 11.699 ( -1.387 -0.930 10.221) 10.356 12.705 ( -6.693 21.073 -13.741) 26.032 15.745 ( -10.892 3.994 2.687) 11.908======================= Grid point 545 (220/580) =======================q-point: (-0.17 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.788 ( 6.883 -3.158 -0.242) 7.577 4.039 ( 12.621 -19.329 1.421) 23.128 4.894 ( 4.302 -13.670 5.193) 15.243 5.587 ( 12.742 -2.987 0.233) 13.089 6.164 ( 0.910 -13.286 -0.130) 13.318 6.769 ( -5.426 1.649 -4.021) 6.952 9.723 ( 8.506 -11.694 0.296) 14.463 10.213 ( 7.965 -15.429 -2.097) 17.490 11.597 ( -7.500 8.970 17.942) 21.416 11.668 ( 8.567 -8.827 3.518) 12.794 12.732 ( -9.245 21.715 -15.325) 28.140 15.651 ( -6.890 6.384 3.622) 10.067======================= Grid point 546 (221/580) =======================q-point: (-0.11 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.890 ( 8.621 -1.993 -1.921) 9.055 3.983 ( 4.550 -21.747 1.002) 22.240 4.812 ( 0.444 -14.307 3.921) 14.842 5.790 ( 14.824 -3.470 -1.860) 15.338 6.113 ( 6.576 -10.785 3.234) 13.039 6.691 ( -5.713 3.598 -2.920) 7.355 9.788 ( 11.982 -10.967 -1.195) 16.287 10.165 ( 5.951 -17.477 -0.322) 18.465 11.466 ( -12.391 1.858 8.775) 15.297 11.802 ( 4.542 -1.718 10.169) 11.269 12.692 ( -13.777 19.213 -15.122) 28.064 15.675 ( 0.010 7.616 4.055) 8.629======================= Grid point 560 (222/580) =======================q-point: (-0.33 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( -0.000 -3.773 6.633) 7.631 3.414 ( -0.000 -11.988 -0.341) 11.993 4.529 ( -0.000 -2.894 -0.232) 2.903 5.435 ( -0.000 -8.595 8.686) 12.220 6.496 ( 0.000 -8.623 -2.153) 8.888 7.062 ( 0.000 -6.604 -5.817) 8.801 9.698 ( 0.000 -9.304 -2.325) 9.590 9.872 ( -0.000 -16.234 -0.349) 16.238 11.383 ( -0.000 -3.237 2.074) 3.845 11.388 ( -0.000 16.065 18.211) 24.284 12.718 ( 0.000 19.573 -11.231) 22.566 16.079 ( -0.000 0.943 1.895) 2.116======================= Grid point 561 (223/580) =======================q-point: (-0.28 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.629 ( 0.940 -6.045 4.938) 7.862 3.382 ( 11.072 -14.496 0.330) 18.244 4.552 ( 6.426 -4.176 -0.064) 7.664 5.372 ( 0.682 -11.228 8.945) 14.372 6.361 ( -0.787 -15.740 -3.368) 16.116 6.983 ( -1.750 -2.485 -5.073) 5.914 9.639 ( 3.860 -12.665 -3.044) 13.586 9.770 ( 7.341 -13.780 0.444) 15.619 11.317 ( -3.627 1.768 4.958) 6.392 11.654 ( 3.971 10.941 17.511) 21.026 12.856 ( -2.313 21.352 -12.770) 24.986 16.050 ( -5.506 1.719 2.194) 6.171======================= Grid point 562 (224/580) =======================q-point: (-0.22 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.607 ( 3.346 -7.590 1.859) 8.501 3.481 ( 17.426 -16.876 1.455) 24.302 4.638 ( 9.183 -7.060 1.001) 11.626 5.318 ( 3.664 -12.058 7.374) 14.601 6.158 ( -0.133 -20.912 -4.325) 21.355 6.922 ( -3.397 1.477 -3.554) 5.133 9.554 ( 2.727 -11.927 -2.378) 12.463 9.827 ( 13.610 -15.170 -0.349) 20.384 11.346 ( 3.209 1.662 5.130) 6.275 11.831 ( -1.989 9.071 18.578) 20.770 12.963 ( -4.695 22.370 -14.382) 27.006 15.958 ( -8.888 3.206 3.003) 9.914======================= Grid point 563 (225/580) =======================q-point: (-0.17 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( 6.814 -7.654 -1.031) 10.299 3.606 ( 16.831 -19.751 1.740) 26.008 4.694 ( 6.605 -11.221 3.387) 13.454 5.339 ( 10.229 -10.571 3.472) 15.114 5.954 ( 2.890 -21.569 -3.689) 22.072 6.871 ( -4.691 3.804 -1.995) 6.360 9.505 ( 5.085 -9.853 -2.300) 11.323 9.882 ( 11.290 -17.052 -0.607) 20.460 11.467 ( 8.062 -2.576 4.083) 9.397 11.894 ( -7.667 9.170 19.178) 22.597 13.032 ( -7.178 22.789 -15.958) 28.731 15.856 ( -8.928 4.944 4.530) 11.166======================= Grid point 564 (226/580) =======================q-point: (-0.11 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.684 ( 10.045 -6.361 -3.097) 12.286 3.643 ( 11.000 -22.362 0.985) 24.941 4.665 ( 2.797 -13.137 4.119) 14.049 5.469 ( 15.777 -10.117 0.136) 18.743 5.848 ( 8.655 -17.521 -1.011) 19.568 6.823 ( -5.644 4.884 -0.662) 7.493 9.517 ( 8.143 -8.981 -2.865) 12.457 9.874 ( 8.112 -17.372 0.123) 19.173 11.517 ( 1.765 -7.461 1.514) 7.815 11.935 ( -6.134 11.061 19.558) 23.291 13.044 ( -10.893 21.649 -17.134) 29.680 15.804 ( -5.383 5.907 6.137) 10.076======================= Grid point 579 (227/580) =======================q-point: (-0.28 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.566 ( -0.000 -9.233 4.623) 10.326 3.131 ( -0.000 -17.204 0.008) 17.204 4.457 ( -0.000 -4.277 -0.321) 4.289 5.266 ( -0.000 -15.762 9.434) 18.369 6.161 ( 0.000 -23.192 -5.362) 23.804 6.981 ( 0.000 1.569 -3.460) 3.799 9.459 ( 0.000 -13.772 -2.050) 13.924 9.598 ( -0.000 -11.016 -0.409) 11.023 11.347 ( -0.000 -1.558 1.714) 2.317 11.829 ( -0.000 14.658 22.146) 26.557 13.043 ( 0.000 22.369 -13.450) 26.101 16.122 ( -0.000 2.086 2.252) 3.069======================= Grid point 580 (228/580) =======================q-point: (-0.22 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.482 ( 1.189 -11.864 2.052) 12.099 3.059 ( 11.826 -19.292 0.984) 22.649 4.457 ( 5.141 -5.550 -0.051) 7.565 5.142 ( 2.386 -19.510 8.345) 21.353 5.900 ( 0.664 -26.824 -6.268) 27.554 6.983 ( -1.813 3.763 -1.952) 4.611 9.361 ( 4.880 -14.550 -2.716) 15.585 9.545 ( 4.732 -8.438 0.524) 9.689 11.341 ( 0.096 0.117 2.074) 2.079 12.029 ( -1.009 11.488 21.846) 24.703 13.194 ( -2.532 22.932 -13.891) 26.930 16.113 ( -4.680 3.057 2.765) 6.237======================= Grid point 581 (229/580) =======================q-point: (-0.17 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.413 ( 5.238 -12.691 -1.346) 13.795 3.124 ( 17.385 -21.143 1.766) 27.429 4.496 ( 6.399 -8.473 1.521) 10.726 5.049 ( 8.185 -21.377 4.964) 23.422 5.651 ( 3.278 -25.824 -5.457) 26.597 6.977 ( -3.340 4.698 -0.638) 5.799 9.310 ( 6.061 -12.823 -3.471) 14.602 9.576 ( 7.520 -8.669 1.068) 11.525 11.376 ( 2.855 -0.091 2.451) 3.763 12.149 ( -4.468 8.346 20.091) 22.210 13.305 ( -5.242 23.095 -14.371) 27.702 16.057 ( -7.374 4.433 4.274) 9.607======================= Grid point 582 (230/580) =======================q-point: (-0.11 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.416 ( 10.228 -11.424 -3.857) 15.811 3.201 ( 15.730 -23.134 0.954) 27.992 4.499 ( 4.366 -11.266 3.512) 12.583 5.052 ( 16.074 -22.162 0.806) 27.389 5.509 ( 8.622 -19.834 -3.098) 21.847 6.958 ( -4.534 5.075 0.519) 6.825 9.292 ( 7.388 -11.789 -3.581) 14.366 9.611 ( 6.050 -8.678 0.694) 10.601 11.425 ( 2.765 -2.746 1.631) 4.225 12.201 ( -5.524 7.884 18.524) 20.876 13.360 ( -8.590 22.106 -15.427) 28.292 15.994 ( -7.630 5.385 6.547) 11.405======================= Grid point 598 (231/580) =======================q-point: (-0.22 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.349 ( -0.000 -15.503 1.696) 15.596 2.756 ( -0.000 -21.791 0.619) 21.800 4.362 ( -0.000 -5.257 -0.533) 5.284 4.920 ( -0.000 -27.279 6.941) 28.148 5.602 ( 0.000 -28.212 -6.177) 28.880 7.034 ( 0.000 4.398 -0.881) 4.485 9.152 ( -0.000 -16.496 -1.211) 16.541 9.469 ( -0.000 -1.664 0.019) 1.664 11.353 ( -0.000 1.298 0.938) 1.601 12.214 ( -0.000 8.801 21.683) 23.401 13.394 ( 0.000 23.324 -12.627) 26.523 16.191 ( -0.000 3.344 2.653) 4.269======================= Grid point 599 (232/580) =======================q-point: (-0.17 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( 2.093 -17.526 -1.011) 17.680 2.655 ( 12.751 -23.383 1.489) 26.675 4.340 ( 3.630 -6.589 0.097) 7.523 4.682 ( 5.487 -33.542 3.073) 34.127 5.338 ( 2.131 -25.423 -4.087) 25.838 7.061 ( -1.559 4.260 -0.070) 4.537 9.040 ( 5.915 -16.731 -1.342) 17.797 9.491 ( 1.345 2.624 0.557) 3.001 11.372 ( -0.054 2.118 0.973) 2.331 12.332 ( -1.934 4.572 19.041) 19.678 13.555 ( -3.034 23.379 -11.250) 26.122 16.204 ( -3.622 4.140 3.505) 6.523======================= Grid point 600 (233/580) =======================q-point: (-0.11 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( 8.342 -16.789 -3.947) 19.158 2.693 ( 17.387 -24.447 1.136) 30.021 4.329 ( 4.723 -12.002 3.296) 13.312 4.521 ( 14.067 -32.415 -2.161) 35.401 5.178 ( 6.765 -20.015 -1.922) 21.215 7.066 ( -2.703 4.057 0.683) 4.923 9.002 ( 8.758 -16.159 -1.788) 18.466 9.546 ( 0.391 4.408 0.285) 4.435 11.396 ( 0.342 1.180 1.087) 1.641 12.377 ( -2.760 2.124 15.941) 16.317 13.659 ( -6.854 22.326 -10.876) 25.762 16.183 ( -5.905 5.071 5.447) 9.500======================= Grid point 617 (234/580) =======================q-point: (-0.17 -0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.997 ( -0.000 -20.944 -1.087) 20.972 2.303 ( -0.000 -25.679 1.327) 25.713 4.252 ( 0.000 -5.589 -0.775) 5.642 4.262 ( -0.000 -42.904 -0.179) 42.904 5.073 ( -0.000 -23.386 -1.442) 23.430 7.110 ( 0.000 3.326 0.138) 3.329 8.825 ( -0.000 -16.436 -0.252) 16.438 9.544 ( 0.000 8.973 0.985) 9.027 11.407 ( 0.000 3.733 0.175) 3.738 12.428 ( -0.000 -0.332 16.302) 16.306 13.775 ( 0.000 23.263 -8.028) 24.609 16.283 ( -0.000 4.031 3.385) 5.263======================= Grid point 618 (235/580) =======================q-point: (-0.11 -0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 3.921 -21.728 -3.246) 22.316 2.183 ( 13.773 -26.542 1.546) 29.943 3.890 ( 8.794 -45.986 -1.844) 46.856 4.224 ( 3.195 -6.322 -0.858) 7.135 4.888 ( 3.940 -20.571 0.003) 20.945 7.130 ( -1.003 2.652 0.352) 2.857 8.719 ( 5.574 -15.500 -0.263) 16.474 9.646 ( -1.385 12.532 1.070) 12.653 11.434 ( -1.284 3.733 0.222) 3.953 12.444 ( -0.763 -4.070 12.862) 13.512 13.938 ( -4.136 22.064 -6.157) 23.278 16.315 ( -2.449 4.408 4.396) 6.690======================= Grid point 636 (236/580) =======================q-point: (-0.11 -0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( -0.000 -24.648 -2.757) 24.802 1.788 ( -0.000 -28.805 2.124) 28.883 3.322 ( -0.000 -51.775 -4.165) 51.943 4.141 ( 0.000 -5.112 -0.940) 5.198 4.658 ( -0.000 -20.034 1.145) 20.066 7.159 ( 0.000 1.650 0.084) 1.652 8.530 ( -0.000 -13.857 0.459) 13.865 9.815 ( -0.000 17.431 2.164) 17.564 11.492 ( 0.000 4.852 -0.308) 4.862 12.421 ( -0.000 -9.099 9.354) 13.050 14.167 ( 0.000 20.759 -3.036) 20.980 16.387 ( -0.000 3.779 4.541) 5.908======================= Grid point 695 (237/580) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.467 ( -0.000 0.000 22.261) 22.261 0.467 ( -0.000 0.000 22.261) 22.261 0.875 ( -0.000 0.000 42.047) 42.047 3.954 ( 0.000 -0.000 -1.362) 1.362 3.954 ( 0.000 -0.000 -1.362) 1.362 8.122 ( -0.000 0.000 0.554) 0.554 8.122 ( -0.000 0.000 0.554) 0.554 8.474 ( 0.000 -0.000 -6.890) 6.890 11.670 ( 0.000 -0.000 -0.446) 0.446 11.670 ( 0.000 -0.000 -0.446) 0.446 14.856 ( -0.000 0.000 2.411) 2.411 15.377 ( 0.000 -0.000 -1.019) 1.019======================= Grid point 696 (238/580) =======================q-point: ( 0.17 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( 22.301 12.875 15.247) 29.926 0.944 ( 19.961 11.524 19.953) 30.486 1.332 ( 33.273 19.210 22.526) 44.537 3.955 ( 1.174 0.678 -2.039) 2.449 4.066 ( 9.134 5.274 -1.106) 10.605 7.358 ( -13.473 -7.779 9.177) 18.062 8.184 ( 4.840 2.794 1.038) 5.684 10.036 ( 43.424 25.071 -40.532) 64.475 11.521 ( -3.345 -1.931 -8.932) 9.732 11.636 ( -2.582 -1.491 -0.748) 3.074 14.798 ( -5.864 -3.385 3.697) 7.714 15.890 ( 25.854 14.927 -24.101) 38.368======================= Grid point 697 (239/580) =======================q-point: ( 0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( 16.487 9.519 19.557) 27.293 1.468 ( 24.046 13.883 10.482) 29.678 2.293 ( 44.406 25.638 7.600) 51.835 3.991 ( 2.792 1.612 -2.464) 4.058 4.337 ( 14.928 8.618 0.009) 17.237 7.213 ( -4.212 -2.432 1.480) 5.084 8.342 ( 8.912 5.146 1.460) 10.394 10.222 ( -8.957 -5.172 -3.860) 11.040 11.556 ( -4.125 -2.381 -1.000) 4.867 11.658 ( 17.645 10.187 -28.104) 34.713 14.636 ( -9.833 -5.677 6.879) 13.276 16.143 ( 5.352 3.090 -18.983) 19.964======================= Grid point 698 (240/580) =======================q-point: ( 0.28 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 17.736 10.240 13.126) 24.325 2.023 ( 22.773 13.148 7.461) 27.334 3.292 ( 43.002 24.827 3.085) 49.750 4.060 ( 4.050 2.338 -2.566) 5.334 4.711 ( 18.081 10.439 1.186) 20.912 7.129 ( -3.665 -2.116 -1.702) 4.562 8.585 ( 12.207 7.048 1.800) 14.210 9.937 ( -13.513 -7.802 3.743) 16.046 11.455 ( -4.332 -2.501 -1.197) 5.143 11.937 ( 13.670 7.892 -26.161) 30.554 14.423 ( -11.841 -6.837 11.783) 18.050 16.075 ( -4.793 -2.767 -16.271) 17.186======================= Grid point 699 (241/580) =======================q-point: ( 0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.258 ( 17.259 9.964 7.426) 21.267 2.522 ( 19.993 11.543 5.114) 23.646 4.151 ( 4.753 2.744 -2.339) 5.966 4.204 ( 37.997 21.937 -0.155) 43.875 5.130 ( 18.596 10.736 2.307) 21.596 7.030 ( -4.622 -2.669 -2.828) 6.040 8.886 ( 13.959 8.059 2.075) 16.251 9.710 ( -7.490 -4.324 4.761) 9.872 11.367 ( -2.938 -1.696 -1.368) 3.658 12.047 ( 3.337 1.926 -23.357) 23.673 14.190 ( -13.942 -8.049 16.951) 23.378 15.877 ( -6.665 -3.848 -16.108) 17.852======================= Grid point 700 (242/580) =======================q-point: ( 0.39 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.634 ( 14.727 8.503 2.771) 17.229 2.941 ( 16.299 9.410 3.221) 19.093 4.251 ( 4.803 2.773 -1.840) 5.844 4.964 ( 30.570 17.650 -3.616) 35.484 5.539 ( 16.947 9.785 3.176) 19.825 6.909 ( -5.254 -3.033 -1.760) 6.316 9.203 ( 13.399 7.736 2.283) 15.639 9.650 ( 0.826 0.477 4.296) 4.400 11.326 ( -0.188 -0.109 -1.542) 1.557 11.934 ( -5.962 -3.442 -21.826) 22.886 13.878 ( -20.132 -11.623 17.512) 29.104 15.733 ( -0.809 -0.467 -12.951) 12.985======================= Grid point 701 (243/580) =======================q-point: ( 0.44 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.923 ( 10.849 6.263 -1.038) 12.570 3.267 ( 12.199 7.043 1.813) 14.203 4.348 ( 4.237 2.446 -1.172) 5.031 5.532 ( 21.995 12.699 -7.654) 26.526 5.892 ( 13.522 7.807 3.505) 16.003 6.798 ( -4.358 -2.516 1.920) 5.386 9.480 ( 10.504 6.064 2.329) 12.350 9.771 ( 8.706 5.026 2.869) 10.454 11.351 ( 2.859 1.651 -1.678) 3.704 11.676 ( -9.962 -5.752 -19.666) 22.784 13.402 ( -26.749 -15.443 13.248) 33.608 15.759 ( 5.421 3.130 -6.790) 9.235======================= Grid point 702 (244/580) =======================q-point: ( 0.50 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.109 ( 6.703 3.870 -4.084) 8.751 3.497 ( 8.007 4.623 0.895) 9.289 4.429 ( 3.215 1.856 -0.442) 3.738 5.893 ( 13.670 7.893 -11.979) 19.816 6.153 ( 8.637 4.987 3.115) 10.449 6.744 ( -1.736 -1.002 7.774) 8.029 9.677 ( 6.465 3.733 2.103) 7.756 10.039 ( 14.211 8.205 0.936) 16.436 11.402 ( -8.251 -4.764 -16.550) 19.097 11.430 ( 4.417 2.550 -1.689) 5.373 12.817 ( -28.373 -16.381 9.930) 34.235 15.887 ( 6.635 3.830 -2.518) 8.064======================= Grid point 703 (245/580) =======================q-point: ( 0.56 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.199 ( 3.078 1.777 -6.329) 7.258 3.630 ( 3.787 2.186 0.324) 4.385 4.486 ( 1.926 1.112 0.269) 2.240 6.076 ( 7.338 4.237 -14.768) 17.027 6.297 ( 3.637 2.100 2.797) 5.045 6.765 ( -0.135 -0.078 12.649) 12.650 9.784 ( 2.634 1.521 1.648) 3.459 10.370 ( 13.994 8.080 -0.865) 16.182 11.234 ( -1.324 -0.765 -13.730) 13.815 11.516 ( 3.368 1.945 -1.565) 4.192 12.254 ( -23.805 -13.744 9.580) 29.109 16.008 ( 4.281 2.472 -0.793) 5.007======================= Grid point 704 (246/580) =======================q-point: (-0.39 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.209 ( -0.012 -0.007 -7.724) 7.724 3.667 ( -0.524 -0.302 -0.133) 0.619 4.515 ( 0.512 0.295 0.900) 1.076 6.136 ( 2.570 1.484 -15.450) 15.733 6.355 ( 1.271 0.734 3.591) 3.879 6.789 ( -2.489 -1.437 14.291) 14.578 9.810 ( -0.704 -0.406 1.134) 1.395 10.536 ( -1.250 -0.722 -2.571) 2.949 11.310 ( 12.856 7.422 -12.019) 19.100 11.556 ( 0.442 0.255 -1.368) 1.460 11.896 ( -9.708 -5.605 11.149) 15.811 16.064 ( 0.939 0.542 -0.023) 1.084======================= Grid point 705 (247/580) =======================q-point: (-0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.146 ( -3.215 -1.856 -8.301) 9.093 3.605 ( -4.986 -2.879 -0.682) 5.797 4.514 ( -0.944 -0.545 1.398) 1.773 6.074 ( -3.820 -2.206 -13.380) 14.088 6.393 ( 0.370 0.214 3.371) 3.398 6.744 ( -5.151 -2.974 13.603) 14.847 9.761 ( -3.970 -2.292 0.685) 4.635 10.321 ( -14.621 -8.441 -3.327) 17.207 11.527 ( -2.482 -1.433 -1.117) 3.076 11.643 ( 17.091 9.867 -5.764) 20.559 11.940 ( 10.603 6.122 5.882) 13.583 16.059 ( -1.207 -0.697 1.278) 1.891======================= Grid point 706 (248/580) =======================q-point: (-0.28 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.004 ( -7.169 -4.139 -8.143) 11.612 3.439 ( -9.594 -5.539 -1.411) 11.168 4.483 ( -2.358 -1.361 1.719) 3.220 5.880 ( -9.898 -5.715 -10.730) 15.677 6.301 ( -11.713 -6.762 6.599) 15.049 6.731 ( 2.107 1.217 8.006) 8.368 9.635 ( -7.577 -4.375 0.321) 8.755 9.958 ( -15.585 -8.998 -3.098) 18.260 11.452 ( -3.574 -2.064 -0.785) 4.201 11.994 ( 15.008 8.665 3.590) 17.698 12.317 ( 20.811 12.015 -5.684) 24.694 16.040 ( -0.755 -0.436 3.581) 3.686======================= Grid point 707 (249/580) =======================q-point: (-0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.767 ( -11.858 -6.846 -7.295) 15.515 3.167 ( -14.224 -8.212 -2.235) 16.576 4.422 ( -3.586 -2.070 1.837) 4.529 5.553 ( -17.293 -9.984 -7.848) 21.456 5.949 ( -20.479 -11.824 7.188) 24.716 6.857 ( 6.229 3.596 4.040) 8.250 9.425 ( -11.264 -6.503 0.006) 13.006 9.650 ( -10.373 -5.989 -2.991) 12.346 11.382 ( -2.178 -1.258 -0.373) 2.543 12.316 ( 12.148 7.014 1.820) 14.145 12.775 ( 22.005 12.705 -6.761) 26.293 16.067 ( 2.006 1.158 5.649) 6.106======================= Grid point 708 (250/580) =======================q-point: (-0.17 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.428 ( -16.493 -9.522 -5.619) 19.856 2.793 ( -18.590 -10.733 -2.895) 21.660 4.338 ( -4.434 -2.560 1.744) 5.409 5.023 ( -29.175 -16.844 -2.531) 33.783 5.500 ( -20.477 -11.823 3.019) 23.837 7.004 ( 5.591 3.228 2.057) 6.776 9.142 ( -13.804 -7.970 -0.265) 15.942 9.501 ( -1.729 -0.998 -2.770) 3.415 11.363 ( 0.618 0.357 0.026) 0.714 12.515 ( 5.734 3.311 -3.620) 7.546 13.250 ( 21.949 12.672 -2.493) 25.466 16.164 ( 4.736 2.735 5.267) 7.593======================= Grid point 709 (251/580) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( -19.956 -11.521 -2.631) 23.193 2.326 ( -22.293 -12.871 -3.016) 25.918 4.240 ( -4.736 -2.735 1.444) 5.656 4.253 ( -39.111 -22.581 1.608) 45.191 5.067 ( -18.950 -10.941 -0.117) 21.882 7.108 ( 3.284 1.896 0.573) 3.835 8.826 ( -14.061 -8.118 -0.442) 16.242 9.561 ( 7.756 4.478 -2.323) 9.252 11.406 ( 3.087 1.782 0.276) 3.575 12.547 ( -1.175 -0.679 -6.608) 6.746 13.726 ( 20.735 11.971 1.080) 23.967 16.292 ( 5.214 3.010 1.644) 6.241======================= Grid point 714 (252/580) =======================q-point: ( 0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.782 ( -0.000 20.337 13.501) 24.411 1.045 ( -0.000 17.807 25.014) 30.705 1.485 ( -0.000 40.006 22.022) 45.667 3.979 ( 0.000 2.847 -1.233) 3.103 4.031 ( 0.000 9.217 -2.185) 9.472 7.387 ( -0.000 -17.750 8.727) 19.780 8.163 ( 0.000 4.545 0.442) 4.566 9.877 ( 0.000 49.851 -36.323) 61.680 11.549 ( 0.000 -0.055 -9.171) 9.171 11.648 ( 0.000 -2.305 -0.387) 2.337 14.806 ( -0.000 -7.178 3.995) 8.215 15.799 ( 0.000 27.338 -20.032) 33.892======================= Grid point 715 (253/580) =======================q-point: ( 0.22 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 22.009 18.957 9.317) 30.505 1.357 ( 8.650 12.737 23.854) 28.392 2.130 ( 19.256 44.373 11.126) 49.634 3.996 ( -0.301 4.586 -1.897) 4.972 4.223 ( 9.678 11.872 -0.953) 15.347 7.249 ( -3.452 -6.158 2.827) 7.605 8.278 ( 6.071 6.881 0.959) 9.227 10.158 ( 5.645 -0.185 -12.196) 13.441 11.522 ( -1.481 7.654 -15.022) 16.924 11.623 ( 0.054 6.166 -8.940) 10.860 14.701 ( -4.382 -9.810 6.177) 12.393 16.025 ( 6.991 11.120 -19.424) 23.449======================= Grid point 716 (254/580) =======================q-point: ( 0.28 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 12.808 11.513 17.533) 24.576 1.839 ( 21.599 18.622 6.886) 29.338 2.981 ( 30.029 37.964 4.615) 48.625 4.050 ( 1.432 6.120 -2.050) 6.611 4.551 ( 14.559 13.357 0.532) 19.765 7.158 ( -3.130 -3.121 -0.884) 4.508 8.494 ( 9.411 9.801 1.574) 13.679 10.021 ( -7.071 -13.675 1.856) 15.506 11.474 ( -2.226 -3.312 -2.793) 4.871 11.771 ( 7.845 16.038 -25.683) 31.280 14.528 ( -6.956 -11.246 10.035) 16.600 16.063 ( -1.605 0.946 -16.931) 17.034======================= Grid point 717 (255/580) =======================q-point: ( 0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 14.762 10.434 10.885) 21.102 2.373 ( 18.383 18.459 4.756) 26.482 3.834 ( 30.908 26.573 -0.564) 40.764 4.158 ( 3.974 11.125 -0.808) 11.841 4.951 ( 16.914 13.167 1.988) 21.527 7.066 ( -3.926 -2.791 -2.551) 5.451 8.783 ( 11.374 12.360 2.131) 16.932 9.784 ( -7.078 -10.087 4.441) 13.098 11.395 ( -2.644 -2.263 -1.626) 3.841 11.918 ( 5.520 6.112 -24.417) 25.769 14.329 ( -8.373 -12.366 14.949) 21.131 15.912 ( -7.374 -2.284 -16.449) 18.171======================= Grid point 718 (256/580) =======================q-point: ( 0.39 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( 14.454 8.339 5.215) 17.483 2.834 ( 14.382 17.581 2.802) 22.887 4.209 ( 5.395 6.003 -2.888) 8.572 4.670 ( 26.704 25.052 -1.669) 36.654 5.366 ( 16.897 11.709 3.218) 20.807 6.957 ( -4.679 -2.909 -2.200) 5.933 9.111 ( 11.331 13.773 2.688) 18.037 9.655 ( -1.390 -4.112 4.228) 6.059 11.343 ( -1.655 0.521 -1.555) 2.330 11.886 ( -1.504 -2.845 -22.742) 22.968 14.086 ( -12.839 -15.079 17.413) 26.371 15.725 ( -4.918 -0.828 -14.693) 15.517======================= Grid point 719 (257/580) =======================q-point: ( 0.44 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.779 ( 12.263 5.517 0.478) 13.456 3.207 ( 9.898 16.112 1.342) 18.958 4.332 ( 3.179 6.921 -1.773) 7.820 5.278 ( 22.238 17.392 -6.007) 28.864 5.748 ( 14.804 9.335 3.955) 17.943 6.849 ( -4.249 -2.513 0.523) 4.964 9.427 ( 8.924 13.630 3.213) 16.605 9.692 ( 5.776 1.604 2.699) 6.574 11.343 ( 0.041 2.898 -1.602) 3.312 11.687 ( -6.486 -6.715 -20.850) 22.844 13.694 ( -21.312 -18.133 14.118) 31.342 15.674 ( 3.248 1.359 -8.855) 9.529======================= Grid point 720 (258/580) =======================q-point: ( 0.50 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.992 ( 9.036 2.672 -3.443) 10.032 3.484 ( 5.334 14.216 0.578) 15.195 4.438 ( 1.563 7.551 -0.891) 7.763 5.698 ( 15.345 10.536 -10.310) 21.279 6.054 ( 10.922 6.314 4.035) 13.245 6.785 ( -2.019 -1.434 5.391) 5.933 9.682 ( 4.733 13.109 3.183) 14.297 9.885 ( 12.034 5.423 0.654) 13.216 11.328 ( -2.931 -6.102 -7.763) 10.300 11.498 ( -2.422 3.930 -11.658) 12.539 13.148 ( -26.579 -18.265 9.900) 33.736 15.769 ( 8.150 0.794 -3.478) 8.897======================= Grid point 721 (259/580) =======================q-point: ( 0.56 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.111 ( 5.667 0.291 -6.420) 8.569 3.664 ( 0.924 12.152 0.347) 12.192 4.521 ( -0.327 7.758 -0.114) 7.766 5.935 ( 9.166 5.382 -13.569) 17.236 6.254 ( 5.887 3.202 3.590) 7.603 6.793 ( 0.704 -0.745 10.478) 10.528 9.852 ( -0.702 13.001 2.508) 13.259 10.183 ( 15.955 6.554 -1.311) 17.298 11.146 ( -1.972 -9.088 -11.352) 14.675 11.550 ( 0.534 9.027 -4.284) 10.006 12.568 ( -25.883 -15.098 8.317) 31.097 15.901 ( 8.172 -1.561 -1.067) 8.388======================= Grid point 722 (260/580) =======================q-point: ( 0.61 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.148 ( 2.648 -1.626 -8.244) 8.810 3.752 ( -3.472 10.166 0.200) 10.744 4.573 ( -2.268 7.457 0.563) 7.814 6.037 ( 4.921 2.077 -14.867) 15.797 6.348 ( 2.142 0.958 3.720) 4.398 6.837 ( 0.259 -1.847 13.143) 13.274 9.926 ( -5.633 11.818 1.720) 13.204 10.470 ( 10.002 3.369 -2.740) 10.904 11.072 ( 7.456 -5.624 -9.705) 13.469 11.616 ( -0.772 7.438 -3.053) 8.077 12.108 ( -17.823 -7.134 8.917) 21.167 15.989 ( 5.735 -4.100 -0.331) 7.057======================= Grid point 723 (261/580) =======================q-point: (-0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.115 ( -0.229 -3.431 -8.882) 9.524 3.744 ( -8.104 8.268 -0.227) 11.580 4.592 ( -4.039 6.659 1.129) 7.870 6.037 ( 0.304 -1.276 -14.522) 14.581 6.393 ( 1.325 0.409 3.974) 4.209 6.831 ( -3.342 -4.019 13.626) 14.594 9.905 ( -9.194 8.600 1.058) 12.633 10.453 ( -9.350 -4.690 -3.433) 11.010 11.234 ( 17.416 -3.900 -6.453) 18.978 11.692 ( 3.167 11.231 -5.614) 12.949 11.935 ( -3.837 1.768 10.341) 11.171 16.014 ( 3.263 -5.613 0.391) 6.504======================= Grid point 724 (262/580) =======================q-point: (-0.28 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.012 ( -3.587 -5.411 -8.487) 10.685 3.636 ( -13.031 6.249 -0.995) 14.486 4.575 ( -5.543 5.467 1.517) 7.932 5.919 ( -5.473 -4.773 -12.361) 14.336 6.402 ( -3.354 -2.203 4.230) 5.830 6.764 ( -3.127 -3.540 11.557) 12.485 9.793 ( -11.653 3.521 0.619) 12.189 10.148 ( -16.822 -6.061 -2.880) 18.111 11.400 ( 7.085 -4.289 -2.039) 8.529 11.898 ( 8.007 14.893 -8.623) 18.981 12.095 ( 14.954 5.167 7.765) 17.624 16.009 ( 2.498 -5.276 1.935) 6.150======================= Grid point 725 (263/580) =======================q-point: (-0.22 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.830 ( -7.837 -7.407 -7.246) 12.992 3.421 ( -18.063 3.926 -1.883) 18.580 4.523 ( -6.706 4.001 1.644) 7.980 5.681 ( -11.664 -7.432 -9.970) 17.049 6.191 ( -16.934 -9.284 7.124) 20.584 6.802 ( 4.795 1.062 5.877) 7.659 9.589 ( -13.229 -2.224 0.226) 13.416 9.818 ( -15.841 -2.448 -2.197) 16.179 11.403 ( -1.267 -0.976 -1.325) 2.076 12.169 ( 12.523 8.530 -6.236) 16.385 12.500 ( 21.795 8.467 2.167) 23.482 16.027 ( 3.838 -3.174 3.665) 6.184======================= Grid point 726 (264/580) =======================q-point: (-0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.558 ( -12.742 -8.847 -5.180) 16.354 3.097 ( -22.815 1.446 -2.527) 23.000 4.441 ( -7.380 2.392 1.472) 7.897 5.302 ( -21.103 -10.338 -6.689) 24.433 5.766 ( -22.688 -11.658 6.209) 26.253 6.935 ( 6.602 2.001 2.712) 7.413 9.329 ( -14.448 -3.807 0.379) 14.946 9.575 ( -9.945 -0.240 -2.135) 10.175 11.371 ( -1.256 0.736 -0.856) 1.689 12.394 ( 9.809 3.473 -9.376) 14.007 12.975 ( 23.378 9.218 3.401) 25.359 16.104 ( 5.852 -0.724 3.703) 6.963======================= Grid point 727 (265/580) =======================q-point: (-0.11 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.205 ( -17.435 -9.050 -1.940) 19.739 2.676 ( -26.856 -0.604 -2.550) 26.983 4.336 ( -7.425 0.720 0.905) 7.515 4.704 ( -34.683 -13.974 -1.250) 37.413 5.305 ( -21.084 -9.787 2.247) 23.353 7.057 ( 5.046 1.300 0.747) 5.264 9.031 ( -16.866 -3.585 0.411) 17.247 9.503 ( 1.400 2.264 -1.758) 3.190 11.379 ( 1.403 1.229 -0.430) 1.915 12.490 ( 3.997 -0.209 -11.324) 12.010 13.468 ( 23.063 8.865 5.170) 25.243 16.218 ( 6.494 0.421 0.832) 6.561======================= Grid point 733 (266/580) =======================q-point: ( 0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( -0.000 25.275 7.789) 26.447 1.498 ( -0.000 13.243 24.042) 27.448 2.476 ( -0.000 48.806 8.390) 49.522 4.044 ( 0.000 4.609 -1.200) 4.762 4.272 ( 0.000 16.866 -1.193) 16.909 7.223 ( -0.000 -5.788 1.675) 6.025 8.304 ( 0.000 9.685 0.695) 9.710 10.057 ( 0.000 -6.047 -6.415) 8.816 11.580 ( -0.000 -4.296 -0.512) 4.327 11.646 ( 0.000 18.834 -25.591) 31.774 14.647 ( -0.000 -12.899 7.260) 14.802 16.021 ( 0.000 10.861 -17.747) 20.807======================= Grid point 734 (267/580) =======================q-point: ( 0.28 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 16.223 22.905 6.815) 28.884 1.750 ( 6.113 12.926 18.700) 23.540 3.061 ( 11.774 45.395 3.664) 47.040 4.094 ( 0.775 6.471 -1.294) 6.645 4.514 ( 7.640 18.476 0.361) 19.997 7.164 ( -1.761 -3.646 -0.593) 4.093 8.469 ( 6.358 12.118 1.248) 13.741 9.943 ( -1.014 -14.716 1.139) 14.795 11.487 ( -3.996 -2.952 -3.090) 5.850 11.765 ( 2.867 15.669 -24.730) 29.416 14.516 ( -2.856 -14.752 9.916) 18.003 16.046 ( -0.428 4.249 -16.412) 16.959======================= Grid point 735 (268/580) =======================q-point: ( 0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( 9.690 11.186 13.586) 20.090 2.268 ( 19.097 21.523 4.226) 29.083 3.716 ( 17.697 34.570 -1.759) 38.876 4.207 ( 4.001 11.652 -0.120) 12.320 4.861 ( 11.730 18.008 2.165) 21.600 7.089 ( -2.997 -2.859 -2.126) 4.656 8.746 ( 10.025 14.944 2.176) 18.126 9.771 ( -3.383 -13.239 4.025) 14.245 11.397 ( -1.969 -2.748 -3.081) 4.574 11.846 ( 2.029 7.989 -23.329) 24.743 14.344 ( -4.460 -16.070 13.586) 21.510 15.958 ( -5.755 0.083 -15.914) 16.923======================= Grid point 736 (269/580) =======================q-point: ( 0.39 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( 11.331 8.935 7.615) 16.316 2.782 ( 16.160 20.991 2.681) 26.626 4.158 ( 8.410 12.444 -5.293) 15.925 4.563 ( 16.847 25.983 0.145) 30.967 5.250 ( 13.424 16.174 3.605) 21.326 6.995 ( -4.012 -2.700 -2.134) 5.286 9.091 ( 10.941 17.383 3.397) 20.818 9.638 ( -1.468 -7.169 3.794) 8.243 11.353 ( 0.027 -0.590 -2.903) 2.962 11.809 ( -1.463 -1.183 -21.858) 21.939 14.141 ( -6.776 -18.272 16.394) 25.467 15.780 ( -7.812 -0.219 -14.909) 16.833======================= Grid point 737 (270/580) =======================q-point: ( 0.44 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.642 ( 10.953 5.860 2.407) 12.653 3.221 ( 11.360 20.754 1.309) 23.696 4.341 ( 4.542 9.691 -3.665) 11.313 5.102 ( 18.849 20.679 -4.044) 28.271 5.629 ( 13.008 13.100 4.283) 18.952 6.897 ( -4.098 -2.279 -0.194) 4.693 9.443 ( 8.884 16.314 5.411) 19.348 9.631 ( 3.801 1.335 1.145) 4.188 11.369 ( 1.143 3.409 -2.441) 4.346 11.635 ( -4.994 -7.427 -20.706) 22.558 13.844 ( -13.286 -20.959 14.962) 28.977 15.642 ( -2.650 0.760 -10.693) 11.043======================= Grid point 738 (271/580) =======================q-point: ( 0.50 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.853 ( 9.169 2.671 -1.974) 9.752 3.567 ( 5.926 20.229 0.535) 21.086 4.489 ( 2.788 10.525 -2.376) 11.144 5.529 ( 14.801 13.081 -7.823) 21.245 5.952 ( 10.985 8.843 4.436) 14.784 6.825 ( -2.700 -1.479 3.498) 4.659 9.696 ( 9.092 5.100 3.954) 11.150 9.824 ( 5.637 17.362 0.673) 18.267 11.338 ( -8.045 -5.949 -9.902) 14.077 11.488 ( 3.471 3.920 -10.481) 11.716 13.395 ( -20.776 -20.936 10.605) 31.344 15.639 ( 4.729 -0.706 -4.942) 6.876======================= Grid point 739 (272/580) =======================q-point: ( 0.56 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.986 ( 6.731 0.033 -5.355) 8.601 3.812 ( 0.552 19.230 0.406) 19.243 4.618 ( 0.509 11.485 -1.218) 11.561 5.794 ( 9.500 7.113 -11.386) 16.446 6.189 ( 7.678 4.570 4.398) 9.959 6.807 ( -0.101 -1.246 7.843) 7.942 9.941 ( 12.906 6.015 0.463) 14.246 10.071 ( 1.749 19.294 1.249) 19.413 11.090 ( -6.338 -8.927 -10.530) 15.190 11.598 ( 2.878 9.363 -5.510) 11.239 12.858 ( -23.660 -17.436 7.600) 30.358 15.722 ( 8.416 -4.197 -1.516) 9.525======================= Grid point 740 (273/580) =======================q-point: ( 0.61 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.046 ( 4.148 -1.803 -7.482) 8.743 3.960 ( -4.421 17.775 0.470) 18.323 4.715 ( -2.337 12.066 -0.143) 12.291 5.922 ( 5.581 2.881 -13.421) 14.818 6.324 ( 3.634 1.458 3.895) 5.523 6.839 ( 1.588 -2.491 11.192) 11.575 10.188 ( -0.735 16.095 2.068) 16.244 10.284 ( 10.039 8.998 -3.934) 14.043 10.924 ( 0.147 -6.868 -6.644) 9.557 11.687 ( -0.713 6.933 -3.665) 7.874 12.374 ( -19.586 -9.353 6.243) 22.585 15.806 ( 8.495 -7.660 -0.408) 11.446======================= Grid point 741 (274/580) =======================q-point: (-0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.043 ( 1.483 -3.033 -8.256) 8.919 4.010 ( -9.149 15.856 0.193) 18.307 4.768 ( -5.263 11.967 0.803) 13.098 5.954 ( 2.429 -0.724 -13.944) 14.172 6.383 ( 1.674 0.050 3.640) 4.007 6.863 ( -0.166 -4.655 12.531) 13.369 10.217 ( -12.967 14.802 0.819) 19.696 10.472 ( 4.402 0.112 -4.986) 6.652 10.957 ( 9.936 0.884 -3.904) 10.712 11.691 ( 0.366 1.059 -0.757) 1.352 12.119 ( -9.882 3.062 4.113) 11.133 15.851 ( 7.115 -9.695 -0.027) 12.026======================= Grid point 742 (275/580) =======================q-point: (-0.28 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.981 ( -1.589 -3.974 -7.789) 8.888 3.959 ( -13.905 13.359 -0.580) 19.292 4.774 ( -7.796 10.988 1.431) 13.548 5.891 ( -1.671 -4.238 -12.790) 13.577 6.417 ( 0.853 -0.550 3.032) 3.198 6.819 ( -3.423 -6.121 12.164) 14.041 10.072 ( -15.532 4.949 -0.205) 16.303 10.367 ( -12.705 -0.279 -2.579) 12.968 11.191 ( 13.205 4.695 -3.090) 14.351 11.814 ( 11.797 4.967 -4.610) 13.605 12.075 ( -2.702 5.483 5.741) 8.386 15.868 ( 6.248 -9.466 0.742) 11.366======================= Grid point 743 (276/580) =======================q-point: (-0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( -5.420 -4.679 -6.292) 9.532 3.797 ( -18.714 10.282 -1.554) 21.409 4.730 ( -9.637 9.003 1.511) 13.275 5.732 ( -6.558 -6.239 -10.520) 13.878 6.358 ( -8.604 -5.331 4.283) 10.991 6.768 ( 0.768 -2.986 8.415) 8.962 9.810 ( -15.871 -2.754 -0.466) 16.115 10.110 ( -18.018 3.300 -0.713) 18.331 11.385 ( 4.271 4.913 -2.827) 7.098 12.037 ( 9.172 7.133 -14.747) 18.774 12.251 ( 16.380 3.730 12.773) 21.104 15.898 ( 6.778 -7.103 1.738) 9.971======================= Grid point 744 (277/580) =======================q-point: (-0.17 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.666 ( -9.989 -4.803 -3.911) 11.754 3.522 ( -23.296 6.998 -2.246) 24.428 4.637 ( -10.554 6.087 0.969) 12.222 5.479 ( -13.001 -6.362 -8.013) 16.544 6.049 ( -20.158 -9.656 5.998) 23.142 6.846 ( 6.304 0.044 3.698) 7.309 9.526 ( -13.641 -3.614 0.304) 14.115 9.832 ( -18.479 3.157 -0.545) 18.755 11.419 ( -2.755 4.013 -2.351) 5.406 12.203 ( 11.187 2.386 -14.888) 18.775 12.683 ( 22.960 5.975 10.710) 26.030 15.973 ( 7.992 -4.146 1.570) 9.139======================= Grid point 745 (278/580) =======================q-point: (-0.11 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( -14.745 -3.782 -0.576) 15.233 3.145 ( -27.183 4.236 -2.228) 27.601 4.504 ( -10.461 2.594 -0.196) 10.780 5.097 ( -24.310 -5.880 -4.331) 25.383 5.599 ( -23.276 -8.970 4.727) 25.389 6.969 ( 6.664 0.207 1.007) 6.743 9.283 ( -14.169 -1.600 1.803) 14.372 9.588 ( -11.107 1.969 -1.259) 11.350 11.396 ( -2.169 2.475 -1.635) 3.675 12.334 ( 8.930 -0.339 -15.528) 17.916 13.174 ( 23.867 6.323 10.712) 26.914 16.083 ( 8.386 -2.502 -0.946) 8.802======================= Grid point 752 (279/580) =======================q-point: ( 0.28 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( -0.000 25.363 5.155) 25.882 1.886 ( -0.000 12.252 17.700) 21.527 3.420 ( 0.000 44.825 0.707) 44.830 4.136 ( 0.000 5.707 -1.278) 5.848 4.660 ( 0.000 23.072 1.636) 23.130 7.142 ( 0.000 -3.197 -1.150) 3.398 8.544 ( 0.000 14.259 1.263) 14.315 9.815 ( -0.000 -14.507 3.211) 14.859 11.483 ( 0.000 -5.065 -0.831) 5.132 11.791 ( 0.000 12.624 -26.784) 29.610 14.419 ( -0.000 -17.013 11.289) 20.418 16.041 ( 0.000 4.019 -15.486) 15.999======================= Grid point 753 (280/580) =======================q-point: ( 0.33 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( 4.401 11.037 13.507) 17.990 2.216 ( 13.192 23.546 4.024) 27.288 3.872 ( 5.204 36.727 -3.449) 37.253 4.230 ( 4.845 8.995 -0.653) 10.238 4.941 ( 4.519 24.535 3.366) 25.173 7.095 ( -1.683 -2.703 -1.918) 3.718 8.756 ( 7.014 16.296 1.942) 17.847 9.691 ( -0.806 -12.260 4.853) 13.210 11.400 ( -2.990 -3.827 -2.536) 5.479 11.810 ( 1.269 5.474 -23.973) 24.622 14.272 ( -1.832 -18.653 13.460) 23.075 15.994 ( -3.421 1.987 -14.920) 15.436======================= Grid point 754 (281/580) =======================q-point: ( 0.39 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( 7.217 8.920 8.415) 14.229 2.711 ( 17.415 21.569 2.985) 27.883 4.180 ( 3.392 16.738 -5.792) 18.034 4.543 ( 13.765 21.787 -0.922) 25.788 5.285 ( 6.720 23.655 4.347) 24.972 7.023 ( -3.049 -2.391 -1.889) 4.311 9.091 ( 11.216 18.535 3.404) 21.931 9.597 ( -0.621 -7.148 4.429) 8.431 11.324 ( -0.539 -2.221 -4.437) 4.991 11.757 ( -1.300 -1.418 -20.510) 20.600 14.089 ( -3.481 -20.660 15.295) 25.940 15.865 ( -7.382 1.071 -14.042) 15.900======================= Grid point 755 (282/580) =======================q-point: ( 0.44 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.549 ( 8.277 6.008 3.573) 10.834 3.205 ( 15.707 20.936 1.977) 26.247 4.354 ( 4.067 12.124 -5.151) 13.786 4.994 ( 16.090 18.539 -2.827) 24.709 5.632 ( 7.102 20.282 4.050) 21.867 6.941 ( -3.653 -1.791 -0.434) 4.092 9.465 ( 8.304 13.483 7.153) 17.375 9.598 ( 4.819 5.553 0.283) 7.358 11.320 ( 3.857 -0.284 -6.744) 7.774 11.602 ( -5.369 -5.312 -16.632) 18.267 13.846 ( -6.984 -23.084 14.890) 28.344 15.702 ( -7.337 1.134 -11.289) 13.511======================= Grid point 756 (283/580) =======================q-point: ( 0.50 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.733 ( 7.837 2.938 -0.583) 8.390 3.639 ( 10.910 21.298 1.270) 23.963 4.523 ( 4.260 11.790 -4.380) 13.280 5.391 ( 14.585 12.400 -4.424) 19.648 5.925 ( 6.286 14.270 3.311) 15.941 6.872 ( -3.208 -0.931 2.269) 4.038 9.606 ( 5.605 2.216 2.186) 6.411 9.919 ( 8.504 21.845 3.674) 23.728 11.336 ( -1.821 -7.658 -18.265) 19.889 11.445 ( 0.792 4.847 -2.921) 5.715 13.499 ( -13.010 -23.702 11.667) 29.448 15.591 ( -2.371 -0.396 -6.558) 6.984======================= Grid point 757 (284/580) =======================q-point: ( 0.56 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( 6.477 0.419 -3.787) 7.515 3.981 ( 4.554 21.822 0.997) 22.314 4.692 ( 3.539 12.051 -3.217) 12.965 5.677 ( 10.028 7.950 -7.400) 14.782 6.139 ( 5.691 7.250 3.802) 9.969 6.834 ( -1.832 -0.927 5.325) 5.707 9.771 ( 10.496 4.147 -2.050) 11.470 10.254 ( 4.357 21.919 5.482) 23.011 11.103 ( -8.033 -6.773 -12.458) 16.297 11.591 ( 6.315 9.114 -5.140) 12.222 13.051 ( -17.928 -20.766 8.065) 28.595 15.566 ( 3.419 -4.434 -2.476) 6.122======================= Grid point 758 (285/580) =======================q-point: ( 0.61 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.933 ( 4.687 -1.194 -5.840) 7.582 4.215 ( -2.065 21.539 0.868) 21.655 4.847 ( 1.498 12.795 -1.543) 12.974 5.828 ( 4.880 4.470 -10.683) 12.567 6.284 ( 4.566 2.010 4.306) 6.590 6.827 ( 0.275 -2.743 8.236) 8.685 10.012 ( 14.396 4.471 -5.589) 16.077 10.528 ( -0.181 23.207 5.980) 23.965 10.884 ( -6.189 -5.605 -7.347) 11.122 11.741 ( 1.826 8.544 -4.773) 9.956 12.598 ( -17.476 -13.546 5.436) 22.770 15.586 ( 6.920 -9.009 -0.575) 11.374======================= Grid point 759 (286/580) =======================q-point: ( 0.67 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.958 ( 2.630 -1.958 -6.671) 7.433 4.333 ( -7.961 19.830 0.434) 21.373 4.970 ( -2.267 13.995 0.463) 14.185 5.866 ( 1.791 0.331 -12.356) 12.489 6.360 ( 2.417 -0.355 3.280) 4.089 6.838 ( 1.505 -5.411 10.500) 11.908 10.274 ( 14.295 2.867 -7.485) 16.389 10.594 ( -14.741 10.047 -2.529) 18.018 10.886 ( 6.973 10.087 4.759) 13.154 11.736 ( -5.827 0.118 -1.722) 6.077 12.310 ( -9.655 -0.459 1.781) 9.829 15.611 ( 8.261 -11.955 -0.080) 14.532======================= Grid point 760 (287/580) =======================q-point: (-0.28 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.939 ( 0.157 -2.135 -6.337) 6.688 4.333 ( -13.127 16.753 -0.394) 21.287 5.035 ( -7.137 14.526 1.980) 16.306 5.818 ( -0.086 -4.129 -12.187) 12.868 6.396 ( 1.789 -0.791 2.009) 2.804 6.826 ( -0.334 -7.341 11.041) 13.262 10.369 ( -16.492 1.148 -2.779) 16.764 10.442 ( 4.530 0.982 -5.545) 7.228 11.159 ( 4.475 19.516 4.516) 20.525 11.665 ( 3.844 -2.770 -0.621) 4.779 12.216 ( -6.198 4.007 -0.122) 7.382 15.635 ( 8.781 -12.009 0.192) 14.878======================= Grid point 761 (288/580) =======================q-point: (-0.22 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.878 ( -2.984 -1.884 -4.959) 6.087 4.213 ( -17.891 12.676 -1.320) 21.966 5.018 ( -11.443 12.435 1.888) 17.004 5.711 ( -2.223 -5.833 -9.970) 11.763 6.405 ( -0.965 -2.215 1.187) 2.692 6.766 ( -1.697 -6.799 9.697) 11.964 10.062 ( -17.829 -2.596 -1.700) 18.097 10.392 ( -9.816 1.950 -1.333) 10.097 11.406 ( 2.389 17.987 -2.113) 18.268 11.836 ( 15.025 0.831 -4.930) 15.835 12.172 ( 0.074 0.317 5.177) 5.188 15.684 ( 9.416 -9.368 0.498) 13.292======================= Grid point 762 (289/580) =======================q-point: (-0.17 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.768 ( -6.850 -1.106 -2.692) 7.443 3.973 ( -22.175 8.218 -1.941) 23.729 4.907 ( -13.408 7.218 0.159) 15.228 5.568 ( -6.463 -3.237 -6.573) 9.770 6.264 ( -12.419 -6.492 2.832) 14.297 6.760 ( 3.958 -2.763 5.298) 7.168 9.741 ( -16.224 -2.742 -0.375) 16.458 10.178 ( -17.506 2.438 0.393) 17.680 11.538 ( -3.832 12.015 -4.089) 13.258 11.977 ( 9.182 -2.125 -16.150) 18.699 12.407 ( 20.044 2.860 15.085) 25.249 15.774 ( 10.009 -5.923 -0.049) 11.630======================= Grid point 763 (290/580) =======================q-point: (-0.11 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.611 ( -11.093 0.502 0.315) 11.109 3.625 ( -25.631 4.347 -1.916) 26.067 4.721 ( -13.108 1.548 -1.875) 13.332 5.375 ( -14.068 0.960 -3.560) 14.543 5.916 ( -21.212 -7.010 3.638) 22.634 6.852 ( 6.982 -1.299 1.768) 7.319 9.485 ( -12.379 -0.851 1.509) 12.500 9.879 ( -19.577 1.274 0.033) 19.619 11.500 ( -7.097 4.822 -2.619) 8.972 12.086 ( 12.397 -1.847 -18.157) 22.063 12.872 ( 23.697 4.394 15.241) 28.516 15.892 ( 9.764 -3.885 -2.432) 10.786======================= Grid point 771 (291/580) =======================q-point: ( 0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( -0.000 10.018 10.927) 14.824 2.344 ( -0.000 23.591 3.766) 23.890 4.179 ( 0.000 34.842 -4.982) 35.197 4.242 ( 0.000 6.058 -1.408) 6.220 5.178 ( -0.000 28.115 4.427) 28.461 7.078 ( 0.000 -2.418 -1.918) 3.086 8.861 ( 0.000 17.126 1.912) 17.233 9.612 ( -0.000 -8.869 6.087) 10.757 11.383 ( 0.000 -4.273 -1.256) 4.454 11.745 ( 0.000 0.858 -24.733) 24.748 14.144 ( -0.000 -20.492 14.039) 24.840 15.998 ( 0.000 2.459 -13.899) 14.115======================= Grid point 772 (292/580) =======================q-point: ( 0.39 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.348 ( 3.247 8.103 7.404) 11.446 2.678 ( 11.431 21.625 3.083) 24.654 4.286 ( -0.244 10.381 -3.296) 10.894 4.550 ( 8.888 24.288 -4.221) 26.205 5.486 ( 1.947 28.076 4.282) 28.468 7.036 ( -1.666 -1.936 -1.618) 3.024 9.108 ( 8.302 18.085 2.665) 20.077 9.566 ( -0.375 -4.206 6.027) 7.359 11.313 ( -2.588 -2.935 -3.429) 5.203 11.663 ( 1.090 -4.063 -21.138) 21.553 13.973 ( -1.614 -22.357 14.460) 26.675 15.939 ( -4.532 2.273 -12.711) 13.685======================= Grid point 773 (293/580) =======================q-point: ( 0.44 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.505 ( 5.201 5.557 3.712) 8.468 3.128 ( 16.689 19.610 2.364) 25.858 4.400 ( 2.811 11.035 -4.186) 12.133 4.913 ( 11.884 17.244 -3.243) 21.192 5.792 ( 2.159 24.672 2.927) 24.939 6.980 ( -2.754 -0.935 -0.435) 2.940 9.476 ( 10.141 15.475 6.378) 19.570 9.575 ( 3.432 4.525 1.753) 5.943 11.240 ( -0.119 -2.855 -7.860) 8.363 11.558 ( -0.836 -5.014 -14.720) 15.573 13.752 ( -3.759 -24.356 13.824) 28.257 15.813 ( -7.901 2.061 -10.588) 13.371======================= Grid point 774 (294/580) =======================q-point: ( 0.50 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.646 ( 5.849 2.914 0.424) 6.548 3.604 ( 16.692 18.758 1.872) 25.179 4.556 ( 4.020 12.154 -4.816) 13.678 5.250 ( 13.356 10.510 -2.118) 17.127 6.036 ( 1.057 18.358 1.315) 18.435 6.929 ( -3.167 0.457 1.517) 3.541 9.584 ( 1.284 3.949 2.472) 4.833 9.954 ( 13.862 20.386 4.133) 24.997 11.192 ( 2.655 -5.702 -14.055) 15.398 11.473 ( -0.941 0.936 -6.322) 6.460 13.465 ( -7.197 -25.376 11.658) 28.838 15.661 ( -7.863 0.911 -7.203) 10.702======================= Grid point 775 (295/580) =======================q-point: ( 0.56 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.756 ( 5.496 0.794 -2.120) 5.944 4.044 ( 12.964 19.231 1.809) 23.263 4.727 ( 4.040 12.424 -4.889) 13.949 5.540 ( 12.434 5.986 -2.462) 14.018 6.188 ( 0.073 10.664 1.174) 10.729 6.891 ( -3.362 0.872 3.318) 4.803 9.681 ( 4.826 5.629 -1.962) 7.670 10.357 ( 9.173 17.959 6.918) 21.320 11.101 ( -1.876 -3.643 -13.947) 14.536 11.544 ( 6.267 7.291 -4.059) 10.436 13.106 ( -11.172 -23.761 8.734) 27.671 15.531 ( -4.579 -2.382 -3.576) 6.279======================= Grid point 776 (296/580) =======================q-point: ( 0.61 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.832 ( 4.544 -0.458 -3.768) 5.921 4.405 ( 5.928 20.631 1.947) 21.553 4.895 ( 4.346 11.260 -4.021) 12.722 5.750 ( 7.791 4.502 -5.372) 10.480 6.267 ( 0.985 3.362 3.072) 4.659 6.850 ( -3.054 -1.118 4.723) 5.734 9.841 ( 9.179 5.806 -5.604) 12.222 10.646 ( 6.668 9.698 8.136) 14.308 10.993 ( -7.303 6.179 -8.443) 12.759 11.742 ( 7.204 10.100 -5.465) 13.556 12.718 ( -12.768 -18.367 6.098) 23.185 15.438 ( -0.038 -7.212 -1.129) 7.300======================= Grid point 777 (297/580) =======================q-point: ( 0.67 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.876 ( 3.229 -0.845 -4.507) 5.608 4.634 ( -3.409 20.681 1.153) 20.991 5.069 ( 5.049 10.620 -1.356) 11.837 5.835 ( 0.344 3.504 -8.955) 9.622 6.317 ( 2.645 -1.491 3.814) 4.875 6.805 ( -0.988 -4.759 6.708) 8.284 10.053 ( 12.356 4.625 -7.500) 15.176 10.775 ( -1.146 -1.159 -2.038) 2.610 10.989 ( -2.078 16.663 6.543) 18.021 11.855 ( -3.959 6.908 -4.151) 8.979 12.427 ( -7.328 -6.620 2.364) 10.155 15.382 ( 4.314 -11.220 -0.135) 12.021======================= Grid point 778 (298/580) =======================q-point: (-0.28 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.894 ( 1.541 -0.554 -4.369) 4.666 4.697 ( -10.643 16.952 -0.342) 20.019 5.247 ( 1.484 13.248 2.367) 13.539 5.773 ( -4.354 -1.481 -10.409) 11.380 6.353 ( 2.660 -1.988 1.392) 3.601 6.773 ( 1.066 -7.812 8.591) 11.661 10.272 ( 11.887 2.710 -7.156) 14.137 10.626 ( -13.609 1.525 -4.227) 14.332 11.233 ( 10.413 9.519 11.537) 18.225 11.743 ( -11.828 6.089 -2.441) 13.526 12.334 ( -4.470 1.655 -1.757) 5.080 15.371 ( 7.976 -11.952 0.089) 14.369======================= Grid point 779 (299/580) =======================q-point: (-0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.887 ( -0.691 0.240 -3.394) 3.472 4.611 ( -15.708 11.525 -1.272) 19.524 5.346 ( -9.604 15.195 3.801) 18.373 5.636 ( -0.796 -6.676 -9.355) 11.521 6.377 ( 1.870 -1.493 -0.892) 2.554 6.736 ( 0.337 -8.491 8.625) 12.108 10.341 ( -17.333 0.275 -4.652) 17.949 10.427 ( 3.806 0.724 -2.222) 4.466 11.555 ( 16.537 -2.654 4.632) 17.378 11.662 ( -8.175 20.397 -0.252) 21.975 12.233 ( -6.726 -2.115 -1.457) 7.200 15.424 ( 10.433 -9.005 0.025) 13.781======================= Grid point 780 (300/580) =======================q-point: (-0.17 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.851 ( -3.594 1.479 -1.666) 4.228 4.390 ( -19.921 5.784 -1.689) 20.813 5.207 ( -15.765 3.496 -2.143) 16.289 5.603 ( -0.715 2.589 -1.954) 3.321 6.350 ( -3.497 -3.134 -1.391) 4.897 6.697 ( 1.356 -5.942 6.620) 8.999 10.016 ( -18.771 -0.375 -1.682) 18.850 10.408 ( -7.396 0.656 -0.126) 7.426 11.656 ( 6.498 3.339 -13.817) 15.629 11.854 ( -4.714 8.423 0.074) 9.653 12.184 ( 11.520 -2.752 11.515) 16.519 15.540 ( 11.168 -4.792 -0.683) 12.172======================= Grid point 781 (301/580) =======================q-point: (-0.11 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.783 ( -7.022 3.230 0.619) 7.754 4.055 ( -23.045 0.945 -1.649) 23.123 4.941 ( -14.449 -2.535 -3.983) 15.201 5.586 ( -7.673 7.392 0.345) 10.660 6.164 ( -13.678 -4.250 -0.211) 14.325 6.732 ( 5.605 -3.047 3.190) 7.133 9.723 ( -15.844 1.101 0.291) 15.885 10.199 ( -16.992 -0.525 0.745) 17.016 11.697 ( -11.351 -0.295 -2.515) 11.630 11.783 ( 12.223 0.489 -18.243) 21.965 12.570 ( 22.808 2.614 16.505) 28.275 15.684 ( 10.130 -2.060 -2.698) 10.684======================= Grid point 790 (302/580) =======================q-point: ( 0.39 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.415 ( -0.000 6.553 5.289) 8.421 2.793 ( -0.000 20.488 2.902) 20.692 4.346 ( 0.000 5.720 -1.494) 5.912 4.704 ( 0.000 24.136 -5.755) 24.813 5.758 ( 0.000 27.773 3.102) 27.946 7.030 ( 0.000 -1.088 -1.181) 1.606 9.211 ( -0.000 17.112 2.318) 17.268 9.573 ( -0.000 0.233 6.926) 6.930 11.311 ( 0.000 -1.942 -1.571) 2.498 11.516 ( 0.000 -7.374 -21.679) 22.899 13.811 ( -0.000 -23.856 13.539) 27.430 15.963 ( 0.000 2.865 -11.164) 11.526======================= Grid point 791 (303/580) =======================q-point: ( 0.44 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.503 ( 2.351 4.491 3.042) 5.912 3.083 ( 10.552 18.248 2.404) 21.215 4.423 ( 3.151 6.699 -2.128) 7.703 4.935 ( 4.569 18.184 -4.131) 19.199 6.021 ( 0.165 23.884 1.232) 23.916 7.012 ( -1.428 0.545 -0.281) 1.554 9.467 ( 10.010 16.425 3.044) 19.474 9.611 ( -0.757 4.611 5.560) 7.263 11.225 ( -4.768 -3.852 -7.973) 10.057 11.429 ( 4.271 -5.368 -12.877) 14.590 13.603 ( -1.818 -25.213 12.156) 28.049 15.915 ( -4.968 2.901 -9.193) 10.845======================= Grid point 792 (304/580) =======================q-point: ( 0.50 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.595 ( 3.739 2.430 1.059) 4.583 3.489 ( 16.697 16.059 1.928) 23.246 4.566 ( 5.831 8.902 -3.231) 11.121 5.169 ( 7.455 11.413 -1.806) 13.751 6.217 ( -0.966 17.431 -0.516) 17.466 6.996 ( -2.443 2.788 0.945) 3.825 9.655 ( -1.794 7.259 3.747) 8.364 9.878 ( 17.089 16.457 2.743) 23.883 11.078 ( -1.550 -6.749 -11.326) 13.275 11.439 ( 3.121 0.551 -6.257) 7.013 13.346 ( -4.031 -25.860 10.184) 28.084 15.797 ( -8.613 2.206 -6.637) 11.094======================= Grid point 793 (305/580) =======================q-point: ( 0.56 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.679 ( 4.223 0.874 -0.473) 4.338 3.941 ( 18.466 14.644 1.779) 23.635 4.754 ( 5.852 11.459 -4.350) 13.583 5.391 ( 9.931 5.147 0.080) 11.186 6.318 ( -2.491 10.358 -0.939) 10.694 6.984 ( -3.815 3.941 1.660) 5.731 9.710 ( -0.835 8.256 -0.675) 8.326 10.329 ( 15.382 13.847 5.369) 21.381 10.999 ( 3.619 -3.390 -11.386) 12.419 11.506 ( 4.103 5.041 -3.590) 7.425 13.042 ( -6.482 -24.850 7.960) 26.887 15.635 ( -9.804 0.182 -3.883) 10.547======================= Grid point 794 (306/580) =======================q-point: ( 0.61 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 4.023 0.073 -1.495) 4.292 4.385 ( 16.883 14.167 2.164) 22.145 4.935 ( 3.287 12.601 -4.911) 13.918 5.602 ( 11.394 1.413 0.079) 11.482 6.337 ( -3.280 4.339 0.395) 5.454 6.942 ( -5.740 2.337 1.666) 6.417 9.791 ( 2.499 7.849 -4.115) 9.208 10.614 ( 6.632 2.528 6.735) 9.784 11.082 ( 4.768 10.284 -8.280) 14.037 11.665 ( 9.347 7.591 -3.612) 12.571 12.718 ( -8.029 -21.116 6.100) 23.400 15.456 ( -8.417 -3.327 -1.673) 9.204======================= Grid point 795 (307/580) =======================q-point: ( 0.67 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.805 ( 3.384 0.013 -2.039) 3.951 4.779 ( 11.414 15.398 3.054) 19.409 5.064 ( 1.610 9.403 -4.517) 10.555 5.787 ( 8.488 2.330 -2.884) 9.263 6.306 ( -2.484 -1.236 2.690) 3.865 6.850 ( -6.291 -1.324 1.979) 6.726 9.923 ( 6.743 6.723 -5.355) 10.925 10.722 ( 5.110 -0.890 3.436) 6.222 11.192 ( -3.735 10.973 -0.467) 11.600 11.903 ( 7.898 9.971 -5.076) 13.696 12.445 ( -5.327 -12.924 4.449) 14.670 15.290 ( -4.586 -7.101 -0.426) 8.464======================= Grid point 796 (308/580) =======================q-point: ( 0.72 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.849 ( 2.433 0.565 -2.121) 3.277 5.000 ( -6.451 15.581 0.491) 16.871 5.211 ( 11.698 4.293 -0.265) 12.463 5.865 ( -3.482 5.481 -6.144) 8.939 6.275 ( 2.385 -5.263 3.049) 6.533 6.740 ( -3.512 -5.313 3.578) 7.305 10.105 ( 9.685 5.509 -4.741) 12.109 10.784 ( -1.537 3.377 -2.583) 4.521 11.187 ( -0.875 -1.549 6.889) 7.115 11.993 ( -6.163 9.341 -1.815) 11.337 12.366 ( 1.059 -1.033 -0.248) 1.500 15.183 ( 1.517 -8.464 0.022) 8.599======================= Grid point 797 (309/580) =======================q-point: (-0.22 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.883 ( 1.111 1.592 -1.703) 2.582 4.936 ( -12.607 7.048 -1.144) 14.489 5.450 ( 9.714 3.293 0.508) 10.270 5.737 ( -14.367 6.086 -2.759) 15.845 6.304 ( 4.483 -2.781 -1.707) 5.545 6.666 ( 0.309 -7.798 5.506) 9.551 10.302 ( 9.122 4.539 -3.772) 10.865 10.649 ( -16.326 3.686 -3.611) 17.122 11.266 ( 12.909 -8.517 5.470) 16.405 11.963 ( -7.052 10.443 2.301) 12.809 12.331 ( -6.150 0.612 -2.823) 6.795 15.192 ( 7.802 -5.525 -0.020) 9.560======================= Grid point 798 (310/580) =======================q-point: (-0.17 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.904 ( -0.740 2.980 -0.775) 3.167 4.722 ( -16.530 0.156 -1.287) 16.581 5.409 ( -10.018 -7.585 -7.106) 14.435 5.701 ( -2.655 14.328 6.711) 16.043 6.331 ( 1.659 -1.037 -4.697) 5.088 6.629 ( 1.677 -7.296 5.796) 9.468 10.337 ( -17.985 2.934 -5.425) 19.014 10.459 ( 0.927 2.813 2.083) 3.621 11.407 ( 11.876 -8.881 -5.865) 15.947 12.020 ( 5.276 1.512 9.028) 10.565 12.164 ( -13.258 4.099 -2.656) 14.129 15.324 ( 10.788 -0.553 -0.556) 10.816======================= Grid point 799 (311/580) =======================q-point: (-0.11 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.909 ( -3.183 4.641 0.539) 5.654 4.389 ( -19.569 -4.942 -1.303) 20.226 5.113 ( -13.214 -7.116 -5.129) 15.861 5.792 ( -4.990 12.173 4.655) 13.955 6.283 ( -4.903 -1.203 -4.850) 7.001 6.631 ( 3.720 -4.692 4.613) 7.559 10.035 ( -18.755 3.528 -1.434) 19.137 10.424 ( -9.624 0.367 1.353) 9.726 11.448 ( 9.905 -10.780 -13.439) 19.873 11.936 ( -9.988 -0.744 -2.940) 10.438 12.300 ( 16.017 3.268 13.465) 21.179 15.510 ( 9.895 2.927 -1.849) 10.483======================= Grid point 809 (312/580) =======================q-point: ( 0.44 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.529 ( -0.000 3.046 2.210) 3.763 3.166 ( -0.000 16.242 2.170) 16.386 4.439 ( 0.000 4.839 -1.467) 5.056 5.057 ( 0.000 16.056 -3.318) 16.395 6.234 ( 0.000 19.491 -0.619) 19.500 7.039 ( 0.000 2.891 0.035) 2.891 9.529 ( -0.000 13.835 2.144) 14.000 9.705 ( -0.000 8.427 6.287) 10.514 11.208 ( 0.000 -10.037 -16.872) 19.632 11.294 ( 0.000 1.266 -1.444) 1.921 13.410 ( -0.000 -25.730 10.125) 27.650 15.960 ( 0.000 3.228 -7.417) 8.089======================= Grid point 810 (313/580) =======================q-point: ( 0.50 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.574 ( 1.755 1.646 1.641) 2.913 3.406 ( 10.236 13.697 1.752) 17.189 4.524 ( 5.262 5.126 -1.765) 7.555 5.203 ( 2.086 11.856 -1.452) 12.126 6.380 ( -0.993 13.237 -1.959) 13.418 7.070 ( -1.262 5.511 0.296) 5.662 9.760 ( 10.732 11.470 3.053) 16.002 9.803 ( -1.081 11.464 3.478) 12.029 11.019 ( -3.654 -8.438 -11.401) 14.647 11.360 ( 4.851 2.200 -3.066) 6.146 13.177 ( -1.907 -25.507 7.897) 26.769 15.923 ( -5.375 2.913 -5.363) 8.133======================= Grid point 811 (314/580) =======================q-point: ( 0.56 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.629 ( 2.842 0.700 1.278) 3.193 3.765 ( 17.076 11.218 1.444) 20.482 4.699 ( 9.382 6.799 -2.580) 11.870 5.339 ( 3.508 6.822 0.729) 7.706 6.443 ( -2.462 7.482 -2.130) 8.160 7.096 ( -2.960 6.463 0.045) 7.109 9.855 ( -4.571 11.192 1.431) 12.174 10.156 ( 19.410 10.136 2.014) 21.990 10.885 ( 0.644 -5.486 -7.501) 9.315 11.466 ( 5.027 4.452 -2.383) 7.125 12.912 ( -3.752 -23.989 5.747) 24.951 15.803 ( -9.781 1.813 -3.280) 10.474======================= Grid point 812 (315/580) =======================q-point: ( 0.61 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.689 ( 3.269 0.345 0.964) 3.425 4.182 ( 20.043 8.985 1.450) 22.012 4.934 ( 9.664 9.851 -3.780) 14.308 5.460 ( 5.870 1.266 2.687) 6.578 6.435 ( -3.794 3.345 -1.222) 5.204 7.080 ( -5.763 4.811 -0.676) 7.538 9.881 ( -3.869 10.015 -1.677) 10.866 10.510 ( 11.029 1.077 4.636) 12.012 10.966 ( 13.905 6.844 -7.252) 17.111 11.592 ( 5.348 4.503 -0.817) 7.039 12.639 ( -4.914 -20.348 4.115) 21.333 15.616 ( -12.341 -0.124 -1.580) 12.443======================= Grid point 813 (316/580) =======================q-point: ( 0.67 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.750 ( 3.203 0.518 0.609) 3.301 4.601 ( 20.076 6.599 1.718) 21.203 5.148 ( 3.273 12.520 -3.961) 13.533 5.597 ( 11.149 -2.919 2.659) 11.828 6.377 ( -4.992 0.182 0.277) 5.003 6.986 ( -8.741 1.629 -1.377) 8.997 9.928 ( -0.022 8.531 -2.026) 8.768 10.624 ( 5.769 -3.357 4.059) 7.812 11.288 ( 7.239 13.429 -5.193) 16.115 11.750 ( 12.727 1.300 -0.974) 12.830 12.408 ( -3.983 -13.111 3.546) 14.154 15.391 ( -12.274 -2.303 -0.542) 12.500======================= Grid point 814 (317/580) =======================q-point: ( 0.72 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.810 ( 2.857 1.140 0.248) 3.085 4.975 ( 18.007 2.340 1.204) 18.198 5.234 ( -4.786 10.467 -0.730) 11.532 5.796 ( 13.326 -0.246 -1.348) 13.396 6.276 ( -5.998 -2.730 2.145) 6.931 6.824 ( -9.399 -1.617 -1.418) 9.641 10.039 ( 4.514 7.578 -0.595) 8.841 10.716 ( 7.717 -2.277 1.812) 8.247 11.312 ( -9.983 2.447 -0.915) 10.320 12.021 ( 12.241 4.669 -4.369) 13.811 12.305 ( 1.181 -4.622 4.084) 6.280 15.184 ( -8.254 -2.968 -0.095) 8.772======================= Grid point 815 (318/580) =======================q-point: (-0.22 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.870 ( 2.309 2.158 0.021) 3.160 5.114 ( -3.097 -4.442 -2.038) 5.786 5.318 ( 6.892 6.330 3.187) 9.885 5.963 ( 0.315 7.202 -3.500) 8.013 6.175 ( 1.204 -5.832 2.558) 6.481 6.660 ( -5.925 -3.952 -0.227) 7.125 10.211 ( 7.267 7.069 0.404) 10.146 10.836 ( 4.874 1.902 -2.325) 5.726 11.099 ( -9.268 -7.342 2.288) 12.043 12.096 ( -3.153 0.050 -0.759) 3.243 12.373 ( 3.694 1.235 0.393) 3.915 15.094 ( 0.016 -0.026 -0.000) 0.031======================= Grid point 816 (319/580) =======================q-point: (-0.17 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.928 ( 1.430 3.485 0.042) 3.767 4.919 ( -11.260 -7.931 -0.843) 13.798 5.401 ( -0.807 -5.036 -2.202) 5.555 5.951 ( -7.048 11.249 6.329) 14.706 6.238 ( 6.793 -0.928 -5.692) 8.911 6.562 ( -0.695 -5.285 2.043) 5.708 10.398 ( 6.057 6.708 -0.945) 9.087 10.716 ( -18.735 4.560 -0.585) 19.291 11.079 ( 13.657 -11.626 -1.104) 17.969 11.983 ( -4.030 -8.755 2.083) 9.861 12.377 ( -5.372 3.438 -0.284) 6.384 15.187 ( 7.457 5.189 -0.202) 9.087======================= Grid point 817 (320/580) =======================q-point: (-0.11 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.982 ( 0.012 4.964 0.290) 4.973 4.597 ( -15.163 -11.564 -0.742) 19.084 5.210 ( -9.837 -9.320 -3.557) 14.010 6.012 ( -4.241 12.141 7.398) 14.837 6.287 ( 1.400 1.335 -8.592) 8.807 6.544 ( 2.846 -4.887 4.330) 7.123 10.382 ( -16.900 5.318 -4.989) 18.406 10.555 ( -4.220 3.807 5.545) 7.940 11.139 ( 9.097 -13.330 -8.896) 18.428 11.885 ( 4.129 -11.041 4.052) 12.465 12.306 ( -5.014 2.558 2.251) 6.062 15.403 ( 9.211 8.789 -0.770) 12.755======================= Grid point 828 (321/580) =======================q-point: ( 0.50 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.578 ( -0.000 0.901 2.435) 2.596 3.443 ( -0.000 11.096 1.411) 11.185 4.511 ( 0.000 3.588 -1.321) 3.824 5.292 ( 0.000 9.893 -0.144) 9.894 6.485 ( 0.000 8.435 -2.705) 8.858 7.143 ( 0.000 7.242 -0.509) 7.260 9.758 ( -0.000 8.551 1.229) 8.639 9.961 ( -0.000 13.713 4.829) 14.539 10.930 ( 0.000 -8.862 -10.415) 13.675 11.337 ( 0.000 3.625 -0.658) 3.684 12.975 ( -0.000 -24.151 5.367) 24.740 15.983 ( 0.000 2.918 -3.781) 4.776======================= Grid point 829 (322/580) =======================q-point: ( 0.56 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.607 ( 1.392 0.489 3.239) 3.559 3.629 ( 10.235 8.305 1.062) 13.223 4.596 ( 6.763 3.453 -1.454) 7.732 5.382 ( 0.576 6.851 1.607) 7.060 6.527 ( -1.469 4.773 -2.710) 5.682 7.198 ( -1.509 6.877 -1.403) 7.179 9.943 ( 12.565 5.994 1.112) 13.966 10.077 ( -4.056 14.335 2.468) 15.101 10.809 ( -0.772 -6.909 -5.576) 8.912 11.417 ( 4.722 4.126 -0.556) 6.295 12.753 ( -1.790 -21.431 2.955) 21.707 15.949 ( -5.854 2.320 -2.200) 6.670======================= Grid point 830 (323/580) =======================q-point: ( 0.61 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( 2.273 0.448 3.622) 4.299 3.936 ( 17.467 5.543 0.935) 18.349 4.790 ( 12.533 4.221 -2.029) 13.380 5.450 ( 0.545 3.379 3.483) 4.883 6.514 ( -3.004 2.320 -2.167) 4.371 7.204 ( -3.909 4.652 -2.364) 6.520 10.085 ( -7.248 11.303 1.073) 13.470 10.284 ( 17.413 2.146 0.579) 17.554 10.792 ( 7.361 -0.406 -2.416) 7.758 11.546 ( 5.341 3.762 0.381) 6.543 12.531 ( -3.006 -16.887 1.045) 17.184 15.820 ( -10.959 1.293 -0.934) 11.074======================= Grid point 831 (324/580) =======================q-point: ( 0.67 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.713 ( 2.681 0.665 3.378) 4.364 4.303 ( 20.722 2.660 1.087) 20.920 5.069 ( 15.320 6.123 -3.213) 16.808 5.487 ( 0.737 -0.879 5.393) 5.514 6.460 ( -4.457 0.594 -1.267) 4.672 7.132 ( -7.242 1.574 -3.361) 8.137 10.066 ( -6.025 8.935 1.429) 10.871 10.483 ( 8.092 -5.014 2.354) 9.807 11.104 ( 23.581 9.498 -4.417) 25.802 11.633 ( 1.825 -0.826 1.773) 2.675 12.355 ( -2.298 -9.775 0.352) 10.047 15.611 ( -14.243 0.323 -0.191) 14.248======================= Grid point 832 (325/580) =======================q-point: (-0.28 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.778 ( 2.845 1.120 2.630) 4.033 4.663 ( 20.137 -1.055 1.094) 20.194 5.352 ( 6.069 10.582 -2.822) 12.521 5.522 ( 9.737 -7.582 5.093) 13.350 6.371 ( -5.893 -0.453 -0.000) 5.910 6.974 ( -10.114 -1.111 -4.099) 10.970 10.092 ( -1.023 7.248 4.084) 8.382 10.551 ( 7.018 -5.914 0.800) 9.212 11.497 ( -3.934 9.875 -3.999) 11.357 11.685 ( 22.732 -4.613 -0.173) 23.196 12.276 ( -0.461 -3.865 1.758) 4.271 15.371 ( -14.151 0.594 0.083) 14.164======================= Grid point 833 (326/580) =======================q-point: (-0.22 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.848 ( 2.945 1.892 1.676) 3.881 4.921 ( 13.492 -7.297 -0.101) 15.339 5.391 ( -3.700 1.895 5.602) 6.976 5.760 ( 18.191 -0.656 -3.822) 18.599 6.260 ( -7.133 -0.143 2.224) 7.473 6.768 ( -10.162 -2.222 -4.157) 11.202 10.200 ( 3.794 6.366 5.978) 9.522 10.626 ( 9.825 -7.268 -1.280) 12.288 11.326 ( -14.621 0.609 -0.598) 14.646 12.052 ( 12.022 3.830 -6.111) 14.020 12.255 ( 4.260 -5.769 4.699) 8.574 15.191 ( -8.643 3.663 0.157) 9.388======================= Grid point 834 (327/580) =======================q-point: (-0.17 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.925 ( 2.912 2.994 0.774) 4.248 4.917 ( -1.230 -13.845 -0.521) 13.909 5.369 ( -0.826 -4.659 4.013) 6.204 6.018 ( 13.466 1.871 -6.809) 15.205 6.175 ( -5.115 3.067 6.616) 8.907 6.590 ( -6.639 -1.953 -3.269) 7.654 10.366 ( 6.174 5.947 5.110) 9.980 10.728 ( 12.891 -10.214 -2.956) 16.710 11.069 ( -17.490 2.515 0.994) 17.698 12.005 ( -7.631 -6.714 -1.991) 10.357 12.372 ( 6.674 -2.307 0.573) 7.085 15.185 ( 0.889 8.860 0.169) 8.906======================= Grid point 835 (328/580) =======================q-point: (-0.11 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.007 ( 2.464 4.269 -0.000) 4.929 4.667 ( -9.574 -16.583 -0.000) 19.149 5.241 ( -6.229 -10.789 0.000) 12.458 6.180 ( 3.075 5.327 0.000) 6.151 6.214 ( 2.599 4.502 -0.000) 5.199 6.496 ( -1.287 -2.229 0.000) 2.574 10.521 ( 2.949 5.109 -0.000) 5.899 10.811 ( -4.217 -7.304 0.000) 8.434 10.815 ( -1.438 -2.491 -0.000) 2.876 11.789 ( -5.303 -9.185 0.000) 10.606 12.375 ( -2.244 -3.886 -0.000) 4.487 15.367 ( 7.168 12.416 -0.000) 14.336======================= Grid point 848 (329/580) =======================q-point: ( 0.56 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( -0.000 0.426 5.114) 5.132 3.610 ( -0.000 5.386 0.665) 5.427 4.558 ( 0.000 2.118 -1.104) 2.389 5.445 ( -0.000 5.149 3.042) 5.980 6.566 ( 0.000 2.900 -2.885) 4.090 7.264 ( 0.000 5.347 -2.531) 5.916 9.876 ( 0.000 3.399 -0.106) 3.401 10.276 ( -0.000 15.141 3.433) 15.525 10.731 ( 0.000 -7.053 -2.925) 7.635 11.408 ( -0.000 3.294 0.517) 3.334 12.586 ( -0.000 -17.082 0.151) 17.082 16.016 ( 0.000 2.068 -1.045) 2.317======================= Grid point 849 (330/580) =======================q-point: ( 0.61 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.647 ( 1.078 0.472 6.219) 6.330 3.738 ( 10.369 2.470 0.460) 10.669 4.636 ( 7.656 1.614 -1.148) 7.908 5.496 ( -0.250 2.909 4.655) 5.495 6.564 ( -1.659 1.584 -2.729) 3.565 7.278 ( -1.847 2.608 -3.536) 4.766 10.010 ( 12.918 0.952 -0.616) 12.968 10.347 ( -7.363 9.604 1.537) 12.199 10.694 ( 2.666 -1.930 1.896) 3.798 11.487 ( 5.226 2.509 1.205) 5.921 12.431 ( -1.601 -11.051 -2.242) 11.389 15.979 ( -6.237 1.466 -0.125) 6.409======================= Grid point 850 (331/580) =======================q-point: (-0.33 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.697 ( 1.782 0.459 6.090) 6.362 3.990 ( 17.725 -0.424 0.639) 17.741 4.831 ( 14.255 1.193 -1.494) 14.383 5.521 ( -1.093 0.622 6.161) 6.288 6.525 ( -3.261 0.599 -2.268) 4.017 7.222 ( -4.450 -0.608 -4.638) 6.457 10.250 ( 10.896 -5.512 -0.115) 12.211 10.274 ( -4.285 5.566 2.759) 7.546 10.829 ( 12.478 4.480 1.699) 13.367 11.603 ( 4.313 1.416 2.189) 5.040 12.315 ( -2.034 -3.978 -3.608) 5.743 15.840 ( -11.585 1.002 0.378) 11.635======================= Grid point 851 (332/580) =======================q-point: (-0.28 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.755 ( 2.364 0.447 4.893) 5.453 4.300 ( 20.573 -3.634 1.077) 20.919 5.109 ( 18.591 -0.268 -1.956) 18.696 5.511 ( -2.500 -0.945 7.040) 7.530 6.455 ( -4.592 -0.048 -1.420) 4.807 7.086 ( -7.398 -3.274 -5.650) 9.868 10.188 ( -2.348 -2.989 6.689) 7.693 10.399 ( 5.563 -1.308 -1.369) 5.877 11.209 ( 25.943 2.296 0.699) 26.054 11.643 ( -2.400 2.829 1.232) 3.909 12.266 ( -1.213 0.784 -3.047) 3.372 15.629 ( -14.536 1.505 0.511) 14.623======================= Grid point 852 (333/580) =======================q-point: (-0.22 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.819 ( 3.055 0.707 3.164) 4.455 4.581 ( 18.128 -8.060 1.172) 19.874 5.371 ( 11.986 -10.579 4.097) 16.504 5.511 ( 4.254 6.116 0.365) 7.459 6.366 ( -5.327 -0.299 0.235) 5.341 6.888 ( -9.105 -4.020 -6.067) 11.657 10.185 ( 4.092 -6.020 9.000) 11.575 10.451 ( 3.644 -0.868 -3.372) 5.040 11.484 ( -0.840 -5.854 5.535) 8.100 11.775 ( 18.301 10.511 -4.410) 21.561 12.231 ( -3.377 -0.413 -2.039) 3.967 15.418 ( -12.997 4.067 0.556) 13.630======================= Grid point 853 (334/580) =======================q-point: (-0.17 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.894 ( 3.812 1.420 1.369) 4.292 4.711 ( 8.758 -14.351 0.693) 16.827 5.334 ( -0.388 -11.403 7.513) 13.661 5.765 ( 15.390 3.993 -5.716) 16.896 6.288 ( -4.044 0.258 3.702) 5.489 6.688 ( -8.197 -2.253 -5.650) 10.208 10.263 ( 10.013 -9.236 8.720) 16.174 10.497 ( 4.583 -0.612 -4.992) 6.804 11.346 ( -12.237 0.218 6.045) 13.650 12.105 ( -9.054 -2.236 -3.632) 10.008 12.143 ( 16.493 1.504 -2.282) 16.718 15.317 ( -5.801 8.618 0.720) 10.413======================= Grid point 867 (335/580) =======================q-point: (-0.39 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.667 ( -0.000 0.355 8.067) 8.075 3.659 ( -0.000 -0.542 0.098) 0.550 4.577 ( 0.000 0.529 -0.889) 1.034 5.537 ( -0.000 1.241 6.159) 6.283 6.581 ( 0.000 0.907 -2.955) 3.091 7.291 ( 0.000 -0.402 -4.545) 4.563 9.894 ( 0.000 -0.880 -1.319) 1.585 10.435 ( -0.000 -5.908 -0.688) 5.948 10.738 ( -0.000 11.386 8.337) 14.112 11.455 ( -0.000 0.579 1.560) 1.664 12.361 ( 0.000 -3.650 -5.113) 6.282 16.045 ( -0.000 1.139 0.523) 1.253======================= Grid point 868 (336/580) =======================q-point: (-0.33 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.703 ( 0.682 -0.122 8.325) 8.354 3.731 ( 10.593 -3.426 0.172) 11.135 4.642 ( 7.871 -0.310 -0.885) 7.927 5.559 ( -0.569 -0.748 7.570) 7.628 6.562 ( -1.691 0.185 -2.833) 3.305 7.238 ( -1.993 -3.672 -5.688) 7.058 9.976 ( 11.658 -3.626 -1.910) 12.357 10.325 ( -1.382 -10.840 1.479) 11.028 10.869 ( -2.974 13.713 8.776) 16.550 11.524 ( 6.428 0.077 2.872) 7.041 12.327 ( -1.588 3.689 -7.178) 8.226 16.003 ( -6.342 0.886 0.829) 6.457======================= Grid point 869 (337/580) =======================q-point: (-0.28 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.741 ( 1.388 -0.902 6.853) 7.050 3.930 ( 17.863 -6.260 0.810) 18.946 4.816 ( 14.044 -1.831 -0.923) 14.193 5.554 ( -1.315 -2.475 8.324) 8.783 6.510 ( -3.104 -0.712 -2.294) 3.925 7.116 ( -4.250 -6.164 -6.811) 10.122 10.080 ( 5.641 -11.808 -0.222) 13.088 10.284 ( 8.383 -6.262 1.836) 10.623 11.009 ( 4.371 10.883 7.199) 13.761 11.648 ( 4.974 1.197 4.918) 7.096 12.328 ( -2.731 8.959 -8.355) 12.551 15.865 ( -11.326 1.329 0.851) 11.435======================= Grid point 870 (338/580) =======================q-point: (-0.22 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.781 ( 2.575 -1.446 4.418) 5.314 4.180 ( 19.754 -9.652 1.525) 22.039 5.041 ( 16.017 -5.780 0.032) 17.028 5.534 ( -0.670 -2.089 6.914) 7.253 6.431 ( -3.869 -2.236 -1.155) 4.616 6.942 ( -6.064 -6.274 -7.284) 11.366 10.017 ( 4.314 -14.623 3.061) 15.550 10.378 ( 6.518 -4.573 -0.565) 7.983 11.290 ( 14.750 5.467 7.969) 17.634 11.733 ( 1.547 2.475 4.950) 5.746 12.336 ( -4.893 11.163 -9.454) 15.425 15.679 ( -13.094 3.198 0.911) 13.510======================= Grid point 871 (339/580) =======================q-point: (-0.17 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.833 ( 4.140 -1.301 1.824) 4.708 4.373 ( 15.207 -14.408 1.647) 21.013 5.171 ( 7.952 -12.961 4.687) 15.912 5.593 ( 7.662 2.025 0.172) 7.927 6.338 ( -2.958 -4.375 1.029) 5.380 6.764 ( -6.482 -3.094 -6.502) 9.688 9.991 ( 8.558 -14.892 3.198) 17.472 10.413 ( 4.432 -5.313 -1.459) 7.071 11.518 ( -1.223 3.906 13.275) 13.892 11.839 ( 11.837 -4.699 2.745) 13.028 12.309 ( -8.206 14.745 -12.691) 21.114 15.530 ( -9.888 6.622 1.329) 11.974======================= Grid point 886 (340/580) =======================q-point: (-0.33 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.723 ( -0.000 -1.179 9.351) 9.425 3.591 ( -0.000 -6.403 -0.110) 6.404 4.566 ( 0.000 -1.115 -0.755) 1.347 5.574 ( -0.000 -2.935 8.968) 9.436 6.563 ( 0.000 -0.860 -3.001) 3.122 7.183 ( 0.000 -6.557 -6.778) 9.430 9.827 ( 0.000 -4.932 -2.058) 5.345 10.197 ( -0.000 -16.162 1.104) 16.200 11.115 ( -0.000 17.661 13.601) 22.291 11.449 ( -0.000 -2.340 2.130) 3.165 12.382 ( 0.000 10.416 -9.522) 14.112 16.068 ( -0.000 0.746 0.964) 1.219======================= Grid point 887 (341/580) =======================q-point: (-0.28 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.736 ( 0.225 -2.819 8.278) 8.748 3.611 ( 10.990 -9.092 0.384) 14.268 4.612 ( 7.473 -2.211 -0.723) 7.827 5.562 ( -0.462 -5.321 9.758) 11.124 6.522 ( -1.440 -3.232 -2.868) 4.554 7.072 ( -1.837 -7.712 -7.660) 11.023 9.843 ( 8.244 -8.702 -2.498) 12.245 10.063 ( 3.827 -15.914 1.944) 16.483 11.215 ( -7.811 12.312 10.426) 17.924 11.562 ( 8.997 2.615 7.778) 12.177 12.455 ( -2.036 15.077 -11.169) 18.874 16.027 ( -6.053 1.115 0.842) 6.212======================= Grid point 888 (342/580) =======================q-point: (-0.22 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.736 ( 1.389 -4.426 5.469) 7.172 3.763 ( 17.871 -11.740 1.458) 21.432 4.751 ( 12.386 -4.450 -0.400) 13.167 5.526 ( -0.254 -6.891 9.160) 11.466 6.430 ( -2.104 -7.888 -2.707) 8.601 6.935 ( -3.504 -5.280 -7.449) 9.780 9.813 ( 3.454 -14.731 -0.578) 15.141 10.098 ( 13.885 -12.637 0.110) 18.776 11.276 ( 1.136 8.611 7.909) 11.747 11.747 ( 3.315 4.789 12.344) 13.649 12.521 ( -4.395 17.759 -12.808) 22.332 15.907 ( -10.168 2.503 0.845) 10.505======================= Grid point 889 (343/580) =======================q-point: (-0.17 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.743 ( 3.701 -5.063 2.262) 6.667 3.952 ( 18.315 -15.187 2.045) 23.880 4.901 ( 11.735 -8.965 1.375) 14.832 5.505 ( 3.093 -5.697 5.702) 8.633 6.290 ( -1.052 -12.944 -2.229) 13.177 6.816 ( -4.718 -0.308 -5.638) 7.358 9.738 ( 5.312 -14.486 0.277) 15.432 10.185 ( 11.066 -13.775 -1.073) 17.702 11.480 ( 11.387 4.532 7.531) 14.385 11.822 ( -4.714 3.349 14.012) 15.159 12.560 ( -7.030 19.779 -14.858) 25.718 15.766 ( -10.662 5.033 1.473) 11.882======================= Grid point 905 (344/580) =======================q-point: (-0.28 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.727 ( -0.000 -5.187 8.515) 9.970 3.413 ( -0.000 -11.983 0.151) 11.984 4.524 ( 0.000 -2.734 -0.764) 2.839 5.533 ( -0.000 -8.626 10.537) 13.617 6.466 ( 0.000 -9.190 -3.733) 9.919 6.994 ( 0.000 -5.484 -7.558) 9.338 9.675 ( 0.000 -9.323 -2.123) 9.562 9.877 ( -0.000 -16.871 1.332) 16.923 11.405 ( -0.000 -3.349 2.062) 3.932 11.577 ( -0.000 18.421 18.865) 26.367 12.597 ( 0.000 18.626 -12.505) 22.434 16.091 ( -0.000 1.333 0.504) 1.425======================= Grid point 906 (345/580) =======================q-point: (-0.22 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( -0.130 -7.824 6.370) 10.090 3.389 ( 11.631 -14.376 1.082) 18.524 4.548 ( 6.632 -3.952 -0.705) 7.752 5.470 ( 0.213 -11.662 10.182) 15.483 6.318 ( -0.475 -17.012 -5.062) 17.755 6.927 ( -1.760 -0.385 -5.980) 6.246 9.613 ( 3.970 -12.845 -2.103) 13.608 9.779 ( 7.202 -14.233 1.356) 16.009 11.357 ( -1.876 -0.123 3.228) 3.735 11.842 ( 2.179 14.404 19.195) 24.097 12.723 ( -2.556 20.664 -13.492) 24.811 16.063 ( -5.323 2.344 0.258) 5.822======================= Grid point 907 (346/580) =======================q-point: (-0.17 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.631 ( 2.189 -9.496 2.906) 10.169 3.499 ( 17.686 -16.821 2.144) 24.502 4.643 ( 10.023 -6.493 -0.042) 11.942 5.397 ( 2.239 -13.074 8.105) 15.545 6.108 ( 0.691 -21.840 -5.464) 22.523 6.884 ( -3.363 3.509 -3.815) 6.179 9.535 ( 3.356 -12.963 -1.419) 13.465 9.827 ( 12.768 -14.748 0.301) 19.509 11.390 ( 4.256 0.374 3.555) 5.558 12.024 ( -3.140 10.875 19.088) 22.192 12.816 ( -5.296 22.033 -14.408) 26.853 15.977 ( -8.370 4.298 0.788) 9.442======================= Grid point 924 (347/580) =======================q-point: (-0.22 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.622 ( -0.000 -11.184 6.376) 12.874 3.135 ( -0.000 -17.132 0.853) 17.153 4.451 ( 0.000 -4.167 -0.927) 4.269 5.365 ( -0.000 -16.555 9.907) 19.293 6.099 ( 0.000 -24.061 -6.830) 25.012 6.942 ( 0.000 3.584 -4.066) 5.419 9.441 ( -0.000 -13.563 -1.501) 13.646 9.603 ( -0.000 -11.540 1.288) 11.611 11.363 ( -0.000 -1.847 1.397) 2.316 12.049 ( -0.000 15.493 21.018) 26.111 12.907 ( 0.000 22.283 -13.034) 25.815 16.131 ( 0.000 2.851 -0.448) 2.886======================= Grid point 925 (348/580) =======================q-point: (-0.17 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.512 ( -0.044 -13.962 3.842) 14.481 3.074 ( 12.370 -19.242 1.939) 22.957 4.452 ( 5.528 -5.321 -0.812) 7.716 5.226 ( 1.875 -21.095 8.044) 22.654 5.833 ( 0.969 -26.677 -6.798) 27.547 6.961 ( -1.737 5.341 -2.431) 6.120 9.339 ( 4.175 -14.453 -1.564) 15.125 9.556 ( 5.061 -8.719 1.551) 10.200 11.359 ( 0.761 -0.330 1.470) 1.688 12.240 ( -1.631 11.369 19.152) 22.332 13.061 ( -3.020 23.446 -11.873) 26.454 16.125 ( -4.197 4.193 -0.445) 5.949======================= Grid point 943 (349/580) =======================q-point: (-0.17 -0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.378 ( -0.000 -17.661 4.077) 18.126 2.768 ( -0.000 -21.753 1.849) 21.831 4.353 ( 0.000 -5.165 -1.189) 5.300 4.983 ( -0.000 -30.188 5.210) 30.634 5.543 ( 0.000 -26.394 -5.226) 26.906 7.022 ( 0.000 5.515 -1.511) 5.718 9.143 ( -0.000 -16.212 -0.497) 16.220 9.478 ( -0.000 -1.890 1.673) 2.525 11.360 ( -0.000 1.000 0.480) 1.110 12.410 ( -0.000 7.754 16.100) 17.870 13.284 ( 0.000 24.421 -8.226) 25.770 16.198 ( 0.000 4.707 -1.310) 4.886======================= Grid point 1040 (350/580) =======================q-point: ( 0.17 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.686 ( -0.000 0.000 20.778) 20.778 0.686 ( -0.000 0.000 20.778) 20.778 1.290 ( -0.000 0.000 39.837) 39.837 3.937 ( 0.000 -0.000 -1.908) 1.908 3.937 ( 0.000 -0.000 -1.908) 1.908 8.128 ( -0.000 0.000 0.753) 0.753 8.128 ( -0.000 0.000 0.753) 0.753 8.390 ( 0.000 -0.000 -9.564) 9.564 11.665 ( 0.000 -0.000 -0.605) 0.605 11.665 ( 0.000 -0.000 -0.605) 0.605 14.886 ( -0.000 0.000 3.396) 3.396 15.364 ( 0.000 -0.000 -1.542) 1.542======================= Grid point 1041 (351/580) =======================q-point: ( 0.22 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( 19.416 11.210 15.350) 27.171 1.125 ( 24.739 14.283 16.258) 32.868 1.601 ( 19.689 11.368 29.194) 37.002 3.932 ( 1.019 0.588 -2.373) 2.649 4.053 ( 9.618 5.553 -1.545) 11.213 7.437 ( -17.028 -9.831 6.199) 20.616 8.195 ( 5.013 2.894 1.081) 5.889 9.663 ( 52.085 30.071 -32.456) 68.341 11.459 ( -12.176 -7.030 -4.011) 14.621 11.628 ( -2.679 -1.547 -0.800) 3.196 14.840 ( -4.990 -2.881 4.701) 7.437 15.697 ( 21.084 12.173 -14.955) 28.572======================= Grid point 1042 (352/580) =======================q-point: ( 0.28 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( 22.295 12.872 10.269) 27.717 1.594 ( 14.208 8.203 20.115) 25.957 2.384 ( 40.190 23.204 10.118) 47.498 3.966 ( 2.743 1.583 -2.528) 4.052 4.335 ( 15.573 8.991 -0.298) 17.985 7.224 ( -6.113 -3.529 0.749) 7.098 8.357 ( 9.078 5.241 1.385) 10.573 10.170 ( 1.195 0.690 -6.279) 6.429 11.389 ( 12.549 7.245 -24.308) 28.299 11.546 ( -4.216 -2.434 -0.960) 4.962 14.711 ( -8.147 -4.704 7.749) 12.188 15.955 ( 6.518 3.763 -17.747) 19.277======================= Grid point 1043 (353/580) =======================q-point: ( 0.33 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 14.534 8.391 14.087) 21.911 2.095 ( 21.590 12.465 6.714) 25.818 3.327 ( 41.079 23.717 3.514) 47.564 4.035 ( 4.111 2.373 -2.335) 5.290 4.723 ( 18.693 10.792 1.224) 21.619 7.110 ( -4.480 -2.587 -2.060) 5.569 8.602 ( 12.362 7.137 1.667) 14.371 9.979 ( -12.443 -7.184 4.700) 15.117 11.444 ( -4.423 -2.553 -1.108) 5.226 11.663 ( 15.441 8.915 -27.496) 32.770 14.546 ( -9.469 -5.467 12.458) 16.576 15.904 ( -4.511 -2.604 -17.264) 18.033======================= Grid point 1044 (354/580) =======================q-point: ( 0.39 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( 14.637 8.451 7.247) 18.389 2.569 ( 19.143 11.052 4.060) 22.475 4.129 ( 4.904 2.831 -1.838) 5.953 4.201 ( 36.409 21.021 -0.656) 42.047 5.155 ( 19.086 11.019 2.697) 22.203 7.001 ( -4.554 -2.629 -2.646) 5.887 8.907 ( 14.101 8.141 1.954) 16.399 9.762 ( -7.634 -4.408 5.551) 10.417 11.354 ( -3.040 -1.755 -1.299) 3.743 11.803 ( 4.521 2.610 -24.483) 25.033 14.361 ( -12.563 -7.253 16.820) 22.211 15.709 ( -5.883 -3.396 -16.786) 18.108======================= Grid point 1045 (355/580) =======================q-point: ( 0.44 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.655 ( 12.760 7.367 1.360) 14.796 2.969 ( 15.723 9.078 2.141) 18.281 4.236 ( 5.005 2.890 -1.159) 5.894 4.922 ( 28.907 16.690 -4.721) 33.712 5.574 ( 17.203 9.932 3.861) 20.237 6.896 ( -4.157 -2.400 -0.884) 4.881 9.226 ( 13.497 7.792 2.231) 15.744 9.696 ( 0.237 0.137 4.732) 4.740 11.310 ( -0.292 -0.169 -1.570) 1.606 11.711 ( -4.974 -2.872 -22.124) 22.857 14.044 ( -21.533 -12.432 14.928) 29.001 15.608 ( 1.964 1.134 -11.433) 11.656======================= Grid point 1046 (356/580) =======================q-point: ( 0.50 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.900 ( 9.464 5.464 -3.411) 11.448 3.281 ( 11.866 6.851 0.939) 13.734 4.339 ( 4.453 2.571 -0.437) 5.161 5.447 ( 20.217 11.672 -8.975) 25.010 5.933 ( 13.423 7.750 4.446) 16.125 6.825 ( -2.242 -1.295 3.196) 4.113 9.504 ( 10.484 6.053 2.381) 12.338 9.801 ( 7.809 4.509 3.032) 9.513 11.333 ( 2.811 1.623 -1.858) 3.740 11.478 ( -8.644 -4.991 -19.262) 21.694 13.520 ( -28.197 -16.279 9.865) 34.021 15.701 ( 7.606 4.391 -4.558) 9.894======================= Grid point 1047 (357/580) =======================q-point: ( 0.56 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.052 ( 5.856 3.381 -7.001) 9.733 3.503 ( 7.839 4.526 0.333) 9.058 4.428 ( 3.424 1.977 0.227) 3.960 5.768 ( 12.247 7.071 -12.547) 18.906 6.190 ( 8.239 4.757 4.310) 10.444 6.827 ( 0.646 0.373 8.278) 8.312 9.700 ( 6.298 3.636 2.267) 7.618 10.047 ( 13.249 7.649 0.813) 15.321 11.238 ( -6.824 -3.940 -15.753) 17.614 11.412 ( 4.467 2.579 -2.016) 5.538 12.906 ( -28.584 -16.503 7.645) 33.880 15.868 ( 7.478 4.317 -1.270) 8.728======================= Grid point 1048 (358/580) =======================q-point: ( 0.61 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.119 ( 2.728 1.575 -9.327) 9.844 3.632 ( 3.670 2.119 0.058) 4.238 4.491 ( 2.118 1.223 0.786) 2.569 5.929 ( 6.714 3.876 -14.230) 16.205 6.333 ( 3.571 2.061 4.203) 5.888 6.889 ( 1.192 0.688 11.718) 11.799 9.802 ( 2.385 1.377 1.934) 3.365 10.359 ( 13.283 7.669 -1.282) 15.392 11.097 ( -0.617 -0.356 -13.084) 13.103 11.498 ( 3.491 2.016 -2.003) 4.502 12.346 ( -22.900 -13.221 8.494) 27.774 16.001 ( 4.512 2.605 -0.452) 5.230======================= Grid point 1049 (359/580) =======================q-point: (-0.33 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.116 ( 0.059 0.034 -10.406) 10.406 3.665 ( -0.692 -0.399 -0.170) 0.817 4.526 ( 0.676 0.390 1.209) 1.439 5.983 ( 2.555 1.475 -14.658) 14.952 6.397 ( 1.354 0.782 4.701) 4.955 6.927 ( -2.068 -1.194 12.955) 13.173 9.823 ( -0.960 -0.554 1.566) 1.918 10.507 ( -1.988 -1.148 -3.114) 3.868 11.186 ( 13.435 7.757 -12.379) 19.847 11.539 ( 0.607 0.350 -1.882) 2.009 12.009 ( -8.953 -5.169 11.052) 15.133 16.063 ( 1.275 0.736 -0.148) 1.480======================= Grid point 1050 (360/580) =======================q-point: (-0.28 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.051 ( -2.821 -1.629 -10.366) 10.866 3.598 ( -5.260 -3.037 -0.541) 6.098 4.529 ( -0.821 -0.474 1.469) 1.748 5.935 ( -2.732 -1.578 -13.795) 14.152 6.434 ( 0.153 0.088 4.602) 4.605 6.878 ( -5.820 -3.360 12.748) 14.411 9.771 ( -4.209 -2.430 1.279) 5.025 10.284 ( -14.439 -8.336 -3.726) 17.084 11.513 ( -2.274 -1.313 -1.683) 3.118 11.541 ( 20.084 11.596 -12.715) 26.448 12.037 ( 7.126 4.114 11.638) 14.253 16.070 ( -0.383 -0.221 0.849) 0.957======================= Grid point 1051 (361/580) =======================q-point: (-0.22 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.915 ( -6.531 -3.771 -9.340) 12.005 3.426 ( -9.963 -5.752 -1.078) 11.555 4.499 ( -2.284 -1.319 1.549) 3.059 5.765 ( -8.674 -5.008 -11.794) 15.474 6.365 ( -10.072 -5.815 5.978) 13.076 6.819 ( -0.851 -0.491 9.082) 9.135 9.642 ( -7.817 -4.513 1.050) 9.087 9.926 ( -15.389 -8.885 -3.102) 18.039 11.441 ( -3.311 -1.912 -1.370) 4.062 11.933 ( 18.323 10.579 -13.592) 25.147 12.347 ( 16.343 9.436 9.702) 21.220 16.071 ( 0.343 0.198 2.471) 2.503======================= Grid point 1052 (362/580) =======================q-point: (-0.17 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.692 ( -10.993 -6.347 -7.334) 14.660 3.148 ( -14.603 -8.431 -1.623) 16.940 4.439 ( -3.567 -2.059 1.450) 4.366 5.464 ( -15.515 -8.958 -9.449) 20.254 6.025 ( -21.080 -12.171 7.544) 25.484 6.900 ( 4.802 2.772 4.298) 7.016 9.429 ( -11.517 -6.649 0.793) 13.322 9.622 ( -10.276 -5.933 -2.423) 12.110 11.375 ( -1.886 -1.089 -0.933) 2.369 12.240 ( 13.210 7.627 -15.235) 21.559 12.792 ( 20.212 11.669 8.508) 24.842 16.112 ( 2.551 1.473 3.199) 4.349======================= Grid point 1059 (363/580) =======================q-point: ( 0.22 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.930 ( -0.000 15.600 15.226) 21.799 1.275 ( -0.000 25.013 20.124) 32.103 1.734 ( -0.000 24.740 26.352) 36.146 3.964 ( 0.000 3.088 -1.823) 3.586 4.008 ( 0.000 9.425 -2.215) 9.681 7.459 ( -0.000 -20.673 5.455) 21.380 8.170 ( -0.000 4.500 0.752) 4.563 9.550 ( 0.000 56.722 -27.999) 63.256 11.478 ( 0.000 -10.065 -5.190) 11.324 11.643 ( 0.000 -2.259 -0.601) 2.338 14.852 ( -0.000 -6.203 4.965) 7.945 15.639 ( 0.000 21.350 -12.627) 24.804======================= Grid point 1060 (364/580) =======================q-point: ( 0.28 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.359 ( 21.051 16.253 10.376) 28.548 1.599 ( 6.622 13.026 23.412) 27.598 2.248 ( 16.740 37.935 12.032) 43.175 3.975 ( -0.632 4.958 -2.125) 5.431 4.213 ( 10.343 12.301 -0.988) 16.102 7.272 ( -4.855 -8.067 1.667) 9.561 8.289 ( 6.375 6.879 1.107) 9.444 10.025 ( 12.784 13.379 -13.654) 22.996 11.341 ( -3.660 5.678 -16.776) 18.085 11.589 ( -2.706 -1.764 -1.388) 3.516 14.768 ( -3.542 -8.444 7.076) 11.572 15.844 ( 6.628 10.977 -16.313) 20.749======================= Grid point 1061 (365/580) =======================q-point: ( 0.33 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( 15.244 12.839 11.193) 22.858 1.927 ( 15.190 13.702 14.087) 24.839 3.026 ( 28.516 35.047 3.971) 45.357 4.030 ( 1.335 6.679 -1.862) 7.061 4.557 ( 15.180 13.937 0.678) 20.619 7.146 ( -4.045 -3.884 -1.378) 5.774 8.510 ( 9.621 9.984 1.529) 13.949 10.046 ( -4.500 -11.667 3.115) 12.887 11.400 ( 4.651 4.487 -15.723) 17.000 11.554 ( 0.728 8.812 -12.614) 15.404 14.634 ( -5.303 -9.612 10.763) 15.374 15.890 ( -1.532 1.383 -17.034) 17.159======================= Grid point 1062 (366/580) =======================q-point: ( 0.39 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.222 ( 11.748 8.838 10.540) 18.089 2.421 ( 17.577 17.307 4.642) 25.100 3.824 ( 29.146 22.829 -1.554) 37.055 4.152 ( 4.737 13.215 -0.393) 14.044 4.973 ( 17.412 13.751 2.367) 22.313 7.040 ( -4.164 -2.850 -2.512) 5.636 8.804 ( 11.476 12.780 1.971) 17.289 9.835 ( -6.855 -10.484 5.766) 13.790 11.374 ( -1.650 -2.559 -2.752) 4.104 11.670 ( 5.441 7.628 -23.781) 25.560 14.483 ( -6.570 -11.192 15.256) 20.029 15.740 ( -7.299 -1.713 -17.218) 18.780======================= Grid point 1063 (367/580) =======================q-point: ( 0.44 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 11.861 7.271 4.002) 14.476 2.860 ( 13.825 16.805 2.268) 21.879 4.183 ( 6.606 5.413 -2.269) 8.836 4.648 ( 24.527 24.203 -2.836) 34.574 5.402 ( 17.210 12.144 3.772) 21.398 6.937 ( -4.053 -2.325 -1.545) 4.922 9.138 ( 11.299 14.479 2.466) 18.530 9.702 ( -1.655 -5.128 5.045) 7.381 11.326 ( -1.385 0.247 -1.855) 2.328 11.656 ( -1.091 -1.854 -22.318) 22.421 14.254 ( -13.389 -15.568 15.721) 25.861 15.579 ( -2.888 0.869 -13.865) 14.189======================= Grid point 1064 (368/580) =======================q-point: ( 0.50 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( 10.172 4.910 -1.577) 11.404 3.218 ( 9.631 15.639 0.825) 18.385 4.318 ( 3.865 6.486 -0.995) 7.615 5.211 ( 20.358 16.588 -7.212) 27.233 5.792 ( 14.880 9.500 4.682) 18.264 6.860 ( -2.666 -1.395 1.539) 3.380 9.458 ( 8.613 14.683 2.946) 17.276 9.722 ( 5.378 -0.107 3.255) 6.288 11.326 ( -0.127 2.820 -1.658) 3.274 11.479 ( -5.348 -5.801 -20.104) 21.597 13.819 ( -23.204 -18.974 10.502) 31.761 15.596 ( 5.982 2.862 -6.308) 9.152======================= Grid point 1065 (369/580) =======================q-point: ( 0.56 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.944 ( 7.482 2.432 -5.952) 9.865 3.488 ( 5.278 14.055 0.210) 15.015 4.432 ( 2.069 7.244 -0.139) 7.536 5.590 ( 13.646 9.902 -10.891) 20.071 6.100 ( 10.664 6.235 4.937) 13.304 6.843 ( 0.190 -0.173 5.930) 5.936 9.714 ( 4.004 14.022 3.052) 14.898 9.892 ( 11.778 3.473 0.916) 12.314 11.217 ( -5.804 -7.925 -13.270) 16.510 11.416 ( 1.768 7.021 -5.154) 8.887 13.234 ( -27.315 -18.525 6.979) 33.734 15.743 ( 9.432 1.376 -1.657) 9.675======================= Grid point 1066 (370/580) =======================q-point: ( 0.61 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.033 ( 4.693 0.401 -8.923) 10.090 3.667 ( 0.889 12.219 0.084) 12.252 4.523 ( 0.063 7.552 0.510) 7.569 5.799 ( 8.174 5.126 -13.018) 16.204 6.296 ( 5.597 3.013 4.618) 7.857 6.897 ( 2.465 0.105 9.756) 10.063 9.878 ( -1.334 13.345 2.588) 13.659 10.169 ( 15.691 4.887 -1.419) 16.495 11.031 ( -2.041 -6.707 -11.190) 13.204 11.511 ( 1.540 8.362 -3.528) 9.205 12.644 ( -25.318 -15.109 6.655) 30.225 15.894 ( 8.449 -1.432 -0.357) 8.577======================= Grid point 1067 (371/580) =======================q-point: ( 0.67 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.053 ( 2.209 -1.141 -10.400) 10.693 3.753 ( -3.626 10.256 -0.014) 10.878 4.581 ( -1.976 7.351 1.003) 7.678 5.891 ( 4.442 2.030 -13.769) 14.609 6.390 ( 2.303 0.795 4.605) 5.210 6.963 ( 1.083 -1.494 11.680) 11.825 9.945 ( -6.043 11.722 1.965) 13.334 10.440 ( 10.092 2.240 -3.081) 10.787 10.973 ( 6.598 -3.161 -9.686) 12.138 11.586 ( -0.416 7.298 -2.981) 7.894 12.195 ( -16.328 -7.868 8.346) 19.954 15.986 ( 5.834 -4.001 -0.287) 7.080======================= Grid point 1068 (372/580) =======================q-point: (-0.28 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.016 ( -0.260 -2.559 -10.482) 10.793 3.741 ( -8.374 8.180 -0.370) 11.712 4.604 ( -3.852 6.644 1.324) 7.793 5.894 ( 0.501 -0.869 -13.715) 13.751 6.437 ( 1.289 -0.097 4.651) 4.828 6.962 ( -3.141 -4.052 12.142) 13.180 9.918 ( -9.351 8.286 1.542) 12.589 10.416 ( -9.294 -4.646 -3.800) 11.064 11.156 ( 18.437 -0.797 -8.754) 20.425 11.640 ( -0.097 9.686 -4.734) 10.782 12.042 ( -1.518 0.522 10.646) 10.766 16.017 ( 3.728 -5.325 0.077) 6.500======================= Grid point 1069 (373/580) =======================q-point: (-0.22 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.921 ( -3.355 -4.173 -9.359) 10.782 3.626 ( -13.326 5.921 -0.991) 14.616 4.590 ( -5.459 5.480 1.416) 7.864 5.792 ( -4.671 -3.924 -12.467) 13.879 6.446 ( -2.488 -2.277 4.344) 5.500 6.879 ( -4.677 -4.646 11.022) 12.843 9.803 ( -11.733 3.082 1.357) 12.207 10.117 ( -16.640 -5.303 -3.087) 17.735 11.367 ( 9.159 -3.735 -4.515) 10.873 11.779 ( 7.542 14.110 -12.766) 20.468 12.208 ( 12.432 4.900 12.535) 18.322 16.024 ( 3.371 -4.902 1.113) 6.052======================= Grid point 1070 (374/580) =======================q-point: (-0.17 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.756 ( -7.420 -5.857 -7.168) 11.863 3.403 ( -18.274 3.476 -1.639) 18.673 4.538 ( -6.688 3.938 1.246) 7.860 5.576 ( -10.739 -6.454 -10.565) 16.389 6.260 ( -15.814 -9.196 6.371) 19.371 6.864 ( 2.659 -0.396 6.308) 6.857 9.596 ( -13.208 -2.706 1.172) 13.534 9.796 ( -16.007 -1.555 -1.992) 16.205 11.385 ( -0.511 -1.240 -2.201) 2.577 12.033 ( 13.327 9.192 -17.691) 23.981 12.588 ( 19.440 7.804 12.422) 24.354 16.055 ( 4.561 -3.180 1.789) 5.841======================= Grid point 1078 (375/580) =======================q-point: ( 0.28 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( -0.000 22.537 9.685) 24.530 1.747 ( -0.000 10.705 24.798) 27.010 2.554 ( -0.000 44.049 6.662) 44.550 4.028 ( 0.000 4.808 -1.834) 5.146 4.264 ( 0.000 17.843 -0.487) 17.850 7.236 ( -0.000 -7.532 0.682) 7.562 8.314 ( 0.000 9.789 1.098) 9.850 9.994 ( 0.000 4.345 -5.909) 7.334 11.400 ( 0.000 12.296 -22.485) 25.627 11.573 ( 0.000 -4.332 -0.776) 4.401 14.725 ( -0.000 -11.193 8.186) 13.867 15.851 ( 0.000 10.767 -15.795) 19.116======================= Grid point 1079 (376/580) =======================q-point: ( 0.33 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 15.459 21.487 6.858) 27.344 1.957 ( 4.478 9.195 20.967) 23.328 3.087 ( 11.107 42.139 1.371) 43.600 4.079 ( 0.883 6.856 -1.615) 7.099 4.521 ( 7.914 19.615 1.129) 21.182 7.155 ( -2.287 -4.540 -1.203) 5.224 8.483 ( 6.597 12.321 1.509) 14.057 9.966 ( 0.182 -11.651 3.414) 12.142 11.402 ( -3.568 7.522 -17.081) 19.002 11.567 ( 2.355 4.966 -10.762) 12.084 14.620 ( -2.109 -12.959 10.755) 16.972 15.879 ( -0.624 4.693 -16.404) 17.074======================= Grid point 1080 (377/580) =======================q-point: ( 0.39 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.185 ( 7.837 9.420 11.646) 16.906 2.323 ( 17.792 19.414 7.023) 27.254 3.690 ( 16.563 31.270 -3.348) 35.544 4.205 ( 4.757 12.746 -0.323) 13.609 4.886 ( 11.963 19.079 2.728) 22.684 7.066 ( -3.268 -3.001 -2.296) 4.996 8.768 ( 10.309 15.421 2.156) 18.674 9.822 ( -3.341 -13.340 6.212) 15.089 11.346 ( -0.900 -1.059 -7.920) 8.041 11.627 ( 1.644 7.508 -18.654) 20.176 14.485 ( -3.203 -14.770 14.139) 20.695 15.791 ( -5.910 0.881 -16.833) 17.862======================= Grid point 1081 (378/580) =======================q-point: ( 0.44 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.436 ( 9.029 7.225 6.236) 13.138 2.814 ( 15.282 20.185 3.517) 25.561 4.106 ( 9.468 12.180 -4.869) 16.177 4.558 ( 15.489 24.489 -1.140) 28.998 5.288 ( 13.581 16.837 3.875) 21.976 6.975 ( -3.661 -2.182 -1.786) 4.621 9.124 ( 11.188 18.413 3.047) 21.760 9.684 ( -2.047 -8.362 5.293) 10.106 11.312 ( 1.174 -1.203 -5.721) 5.962 11.601 ( -2.037 0.158 -18.348) 18.462 14.304 ( -6.470 -18.408 15.687) 25.036 15.627 ( -6.873 1.498 -15.092) 16.651======================= Grid point 1082 (379/580) =======================q-point: ( 0.50 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.658 ( 8.864 4.805 0.629) 10.103 3.236 ( 10.688 20.463 1.601) 23.141 4.307 ( 5.691 9.066 -2.893) 11.088 5.056 ( 17.091 20.142 -5.013) 26.888 5.673 ( 13.187 13.116 4.488) 19.133 6.898 ( -2.991 -1.276 0.479) 3.287 9.495 ( 9.057 19.400 4.616) 21.902 9.649 ( 2.878 -2.231 2.457) 4.393 11.331 ( 3.262 1.739 -6.612) 7.575 11.444 ( -6.372 -5.115 -15.158) 17.220 13.982 ( -14.985 -21.803 11.980) 29.042 15.542 ( -0.061 2.562 -8.863) 9.226======================= Grid point 1083 (380/580) =======================q-point: ( 0.56 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.823 ( 7.400 2.250 -3.939) 8.680 3.573 ( 5.579 20.277 0.588) 21.039 4.469 ( 3.747 9.846 -1.440) 10.633 5.445 ( 12.796 13.034 -8.454) 20.126 6.000 ( 11.193 8.562 4.929) 14.929 6.863 ( -0.971 -0.418 3.900) 4.041 9.728 ( 8.696 0.844 2.265) 9.026 9.841 ( 4.898 20.786 2.647) 21.519 11.207 ( -6.977 -7.888 -14.428) 17.863 11.419 ( 3.713 6.853 -4.258) 8.881 13.485 ( -22.249 -21.226 7.286) 31.602 15.599 ( 6.666 0.058 -2.884) 7.263======================= Grid point 1084 (381/580) =======================q-point: ( 0.61 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.922 ( 5.373 0.225 -7.177) 8.968 3.816 ( 0.436 19.432 0.260) 19.439 4.610 ( 1.257 11.013 -0.284) 11.088 5.680 ( 7.957 7.169 -11.055) 15.393 6.236 ( 7.473 4.314 4.885) 9.915 6.885 ( 1.798 -0.544 7.399) 7.634 9.935 ( 13.781 2.393 -1.352) 14.052 10.095 ( -0.559 21.742 3.209) 21.985 10.986 ( -5.007 -7.258 -9.809) 13.190 11.547 ( 3.279 9.332 -4.567) 10.895 12.923 ( -23.929 -17.546 5.326) 30.147 15.712 ( 9.047 -4.042 -0.440) 9.919======================= Grid point 1085 (382/580) =======================q-point: ( 0.67 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.962 ( 3.269 -1.057 -8.937) 9.574 3.963 ( -4.526 17.921 0.111) 18.484 4.717 ( -1.846 11.931 0.681) 12.093 5.791 ( 4.723 2.954 -12.327) 13.527 6.366 ( 3.488 1.092 4.299) 5.642 6.947 ( 2.892 -2.159 9.930) 10.566 10.192 ( 9.211 6.741 -1.721) 11.543 10.259 ( -1.059 16.273 -0.350) 16.311 10.862 ( 0.541 -3.840 -5.496) 6.727 11.649 ( 0.176 7.522 -3.707) 8.388 12.432 ( -19.117 -10.457 5.247) 22.413 15.804 ( 8.531 -7.620 -0.125) 11.439======================= Grid point 1086 (383/580) =======================q-point: (-0.28 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.953 ( 1.080 -1.835 -9.247) 9.488 4.010 ( -9.377 15.803 -0.286) 18.378 4.780 ( -5.066 12.127 1.366) 13.213 5.818 ( 2.107 -0.456 -12.720) 12.901 6.422 ( 1.815 -0.621 3.959) 4.400 6.982 ( 0.395 -4.649 10.944) 11.897 10.226 ( -12.979 13.410 0.951) 18.687 10.418 ( 5.861 -0.821 -5.547) 8.112 10.917 ( 7.635 4.887 -3.812) 9.834 11.678 ( 0.275 2.773 -1.865) 3.353 12.166 ( -8.679 -0.107 5.126) 10.080 15.850 ( 7.241 -9.534 -0.172) 11.973======================= Grid point 1087 (384/580) =======================q-point: (-0.22 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.899 ( -1.578 -2.432 -8.245) 8.740 3.950 ( -14.226 13.121 -0.997) 19.379 4.789 ( -7.854 11.182 1.540) 13.751 5.765 ( -1.349 -3.383 -12.045) 12.583 6.450 ( 0.946 -1.535 3.359) 3.812 6.936 ( -3.523 -6.583 10.775) 13.110 10.072 ( -15.079 3.409 0.272) 15.461 10.338 ( -11.615 0.930 -3.036) 12.041 11.146 ( 12.248 6.866 -5.595) 15.114 11.760 ( 5.598 5.625 -5.762) 9.807 12.150 ( 2.465 3.048 8.446) 9.311 15.873 ( 6.710 -9.255 0.207) 11.433======================= Grid point 1088 (385/580) =======================q-point: (-0.17 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.795 ( -5.073 -2.890 -6.097) 8.441 3.780 ( -19.001 10.017 -1.752) 21.551 4.743 ( -9.790 8.888 1.072) 13.266 5.626 ( -6.019 -4.889 -10.303) 12.895 6.398 ( -6.910 -5.511 3.608) 9.546 6.854 ( -1.377 -4.628 8.385) 9.676 9.809 ( -15.355 -3.490 0.173) 15.748 10.102 ( -17.970 4.470 -0.679) 18.530 11.343 ( 5.265 5.171 -5.334) 9.106 11.885 ( 6.838 6.225 -14.621) 17.300 12.387 ( 16.408 4.336 13.555) 21.720 15.909 ( 7.255 -7.261 0.461) 10.275======================= Grid point 1097 (386/580) =======================q-point: ( 0.33 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( -0.000 23.754 6.630) 24.662 2.073 ( -0.000 8.119 18.736) 20.420 3.415 ( 0.000 42.183 -1.686) 42.216 4.120 ( 0.000 5.874 -1.921) 6.180 4.681 ( 0.000 24.456 2.599) 24.594 7.128 ( 0.000 -3.818 -1.732) 4.192 8.558 ( 0.000 14.448 1.642) 14.541 9.863 ( -0.000 -12.977 6.195) 14.380 11.473 ( 0.000 -5.170 -1.083) 5.282 11.517 ( 0.000 13.553 -26.893) 30.115 14.538 ( -0.000 -15.358 12.115) 19.561 15.880 ( 0.000 4.630 -16.185) 16.834======================= Grid point 1098 (387/580) =======================q-point: ( 0.39 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( 4.350 11.405 9.888) 15.709 2.277 ( 11.712 18.345 9.250) 23.649 3.830 ( 4.392 34.511 -4.632) 35.096 4.220 ( 5.569 9.376 -1.318) 10.984 4.978 ( 4.518 25.570 3.675) 26.225 7.073 ( -1.796 -2.786 -2.289) 4.028 8.777 ( 7.329 16.591 2.104) 18.260 9.754 ( -1.108 -12.203 7.575) 14.405 11.357 ( -4.657 -1.959 -6.969) 8.608 11.584 ( 3.419 4.785 -19.253) 20.131 14.412 ( -1.308 -17.624 14.032) 22.565 15.836 ( -3.563 3.094 -16.190) 16.863======================= Grid point 1099 (388/580) =======================q-point: ( 0.44 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.405 ( 5.580 6.696 7.253) 11.339 2.750 ( 16.869 20.363 4.681) 26.854 4.122 ( 3.382 17.369 -5.590) 18.558 4.530 ( 13.665 20.154 -1.500) 24.396 5.327 ( 6.711 23.849 3.831) 25.070 7.004 ( -2.807 -1.885 -1.923) 3.890 9.124 ( 11.868 19.282 3.011) 22.841 9.653 ( -1.673 -8.103 6.495) 10.519 11.262 ( -1.038 -2.045 -8.301) 8.612 11.572 ( -0.296 -0.760 -15.200) 15.222 14.243 ( -3.087 -20.803 15.013) 25.839 15.718 ( -7.043 2.941 -14.933) 16.770======================= Grid point 1100 (389/580) =======================q-point: ( 0.50 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.579 ( 6.554 4.554 2.351) 8.320 3.231 ( 15.089 20.416 2.947) 25.557 4.305 ( 4.493 12.103 -4.548) 13.688 4.964 ( 15.331 18.398 -2.897) 24.123 5.669 ( 7.264 19.520 3.279) 21.084 6.937 ( -2.865 -0.869 -0.242) 3.004 9.536 ( 10.508 18.321 6.279) 22.034 9.607 ( 1.924 0.219 1.800) 2.644 11.226 ( 2.876 -2.540 -11.713) 12.325 11.470 ( -3.997 -2.395 -9.264) 10.370 13.988 ( -7.786 -24.043 12.912) 28.380 15.589 ( -5.755 3.253 -10.714) 12.589======================= Grid point 1101 (390/580) =======================q-point: ( 0.56 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.720 ( 6.202 2.304 -1.739) 6.841 3.655 ( 10.367 21.324 1.722) 23.773 4.484 ( 5.095 11.167 -3.371) 12.729 5.344 ( 12.742 13.272 -4.712) 18.992 5.958 ( 7.041 13.157 3.168) 15.256 6.895 ( -1.973 -0.070 2.274) 3.012 9.624 ( 4.303 0.093 1.477) 4.550 9.962 ( 8.827 23.367 4.684) 25.414 11.162 ( -1.628 -6.461 -15.860) 17.203 11.417 ( 1.353 4.350 -2.597) 5.244 13.601 ( -14.565 -24.240 8.568) 29.549 15.532 ( -0.311 0.818 -4.985) 5.062======================= Grid point 1102 (391/580) =======================q-point: ( 0.61 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.817 ( 5.053 0.552 -4.719) 6.936 3.992 ( 4.133 22.166 0.961) 22.569 4.665 ( 4.658 11.270 -1.907) 12.343 5.600 ( 7.565 8.866 -7.489) 13.853 6.179 ( 6.571 6.600 4.039) 10.152 6.886 ( -0.257 -0.592 4.833) 4.876 9.749 ( 9.470 2.111 -2.145) 9.937 10.314 ( 3.917 23.572 6.073) 24.655 10.984 ( -5.817 -5.631 -10.826) 13.518 11.543 ( 5.720 8.678 -4.366) 11.273 13.119 ( -18.962 -20.810 5.299) 28.648 15.547 ( 4.606 -4.103 -1.262) 6.296======================= Grid point 1103 (392/580) =======================q-point: ( 0.67 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.870 ( 3.578 -0.408 -6.486) 7.419 4.221 ( -2.396 21.808 0.363) 21.942 4.838 ( 2.613 12.403 -0.087) 12.675 5.724 ( 3.127 4.960 -9.840) 11.455 6.326 ( 4.417 1.696 4.010) 6.202 6.906 ( 2.059 -2.795 7.333) 8.113 9.957 ( 13.698 2.647 -5.029) 14.830 10.586 ( -3.061 24.859 4.948) 25.531 10.821 ( -2.689 -4.351 -4.747) 6.978 11.693 ( 2.500 8.598 -4.693) 10.109 12.644 ( -18.007 -14.123 3.675) 23.177 15.583 ( 7.204 -8.974 -0.068) 11.508======================= Grid point 1104 (393/580) =======================q-point: ( 0.72 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.887 ( 1.918 -0.686 -7.052) 7.341 4.333 ( -8.226 19.777 -0.326) 21.422 4.981 ( -1.644 14.339 1.746) 14.538 5.746 ( 0.889 0.635 -11.160) 11.214 6.392 ( 2.206 -1.066 3.017) 3.887 6.938 ( 2.663 -5.600 9.150) 11.053 10.201 ( 14.328 1.785 -6.833) 15.974 10.565 ( -13.592 6.647 -3.012) 15.427 10.940 ( 4.872 16.608 5.745) 18.237 11.713 ( -4.134 0.917 -2.616) 4.977 12.328 ( -10.219 -2.836 1.689) 10.738 15.610 ( 8.249 -11.880 -0.041) 14.463======================= Grid point 1105 (394/580) =======================q-point: (-0.22 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.874 ( -0.110 -0.541 -6.473) 6.496 4.325 ( -13.372 16.505 -1.081) 21.270 5.059 ( -7.418 15.208 2.567) 17.114 5.700 ( -0.030 -3.435 -11.124) 11.643 6.417 ( 1.856 -2.071 2.127) 3.501 6.930 ( 0.073 -7.789 9.552) 12.325 10.328 ( -10.186 -0.703 -5.726) 11.706 10.399 ( 1.232 2.300 -2.345) 3.508 11.194 ( -0.815 22.811 2.437) 22.956 11.660 ( 4.263 -3.406 -0.462) 5.476 12.221 ( -4.550 2.180 1.077) 5.159 15.636 ( 8.884 -11.895 -0.082) 14.847======================= Grid point 1106 (395/580) =======================q-point: (-0.17 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.828 ( -2.802 -0.120 -4.831) 5.586 4.197 ( -18.123 12.490 -1.732) 22.078 5.034 ( -12.173 12.125 1.230) 17.225 5.615 ( -1.701 -3.852 -8.907) 9.852 6.418 ( -0.339 -3.442 1.316) 3.701 6.860 ( -2.248 -7.840 8.758) 11.968 10.043 ( -16.716 -2.893 -2.131) 17.098 10.380 ( -8.224 2.512 -0.864) 8.643 11.363 ( -0.077 17.335 -6.061) 18.364 11.784 ( 7.263 1.503 -5.157) 9.034 12.244 ( 7.102 0.528 8.442) 11.044 15.685 ( 9.530 -9.534 -0.234) 13.482======================= Grid point 1116 (396/580) =======================q-point: ( 0.39 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( -0.000 6.364 11.371) 13.031 2.388 ( -0.000 22.556 4.854) 23.073 4.127 ( 0.000 33.768 -4.939) 34.127 4.224 ( 0.000 6.221 -2.002) 6.535 5.221 ( -0.000 28.362 3.846) 28.622 7.056 ( 0.000 -2.226 -2.375) 3.255 8.881 ( 0.000 17.299 2.100) 17.426 9.687 ( -0.000 -9.084 8.656) 12.547 11.370 ( 0.000 -4.399 -1.382) 4.611 11.500 ( 0.000 2.186 -23.426) 23.528 14.288 ( -0.000 -20.147 14.342) 24.730 15.849 ( 0.000 4.026 -15.426) 15.943======================= Grid point 1117 (397/580) =======================q-point: ( 0.44 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.423 ( 2.381 5.444 7.246) 9.371 2.716 ( 11.334 20.567 4.345) 23.882 4.250 ( -1.444 11.989 -3.665) 12.619 4.513 ( 10.010 22.663 -3.068) 24.965 5.523 ( 1.918 27.420 2.922) 27.641 7.017 ( -1.489 -1.335 -2.019) 2.842 9.135 ( 8.770 18.333 2.450) 20.470 9.638 ( -1.225 -4.908 8.061) 9.517 11.263 ( -4.723 -2.844 -7.318) 9.162 11.475 ( 3.558 -3.058 -14.886) 15.608 14.118 ( -1.449 -22.937 14.097) 26.961 15.803 ( -4.392 4.397 -13.930) 15.254======================= Grid point 1118 (398/580) =======================q-point: ( 0.50 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.541 ( 4.038 3.886 3.417) 6.564 3.158 ( 16.436 18.843 3.407) 25.235 4.358 ( 2.107 11.633 -4.028) 12.489 4.887 ( 12.370 17.226 -1.877) 21.291 5.814 ( 2.184 23.425 1.363) 23.566 6.974 ( -2.190 -0.045 -0.804) 2.333 9.530 ( 14.435 19.728 3.667) 24.718 9.608 ( -1.554 -0.565 5.045) 5.309 11.144 ( -1.641 -3.909 -10.666) 11.478 11.441 ( 0.930 -2.832 -8.381) 8.896 13.885 ( -3.962 -25.597 12.358) 28.699 15.703 ( -7.150 4.390 -10.850) 13.715======================= Grid point 1119 (399/580) =======================q-point: ( 0.56 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( 4.556 2.171 0.299) 5.056 3.627 ( 16.462 18.405 2.550) 24.824 4.510 ( 3.822 12.127 -4.110) 13.363 5.233 ( 12.881 11.341 -1.188) 17.204 6.044 ( 1.534 17.108 0.282) 17.179 6.942 ( -2.310 1.151 0.918) 2.739 9.607 ( -0.341 2.279 2.096) 3.115 9.998 ( 14.978 21.145 4.393) 26.282 11.055 ( 0.670 -5.502 -12.452) 13.630 11.423 ( 0.906 1.883 -3.804) 4.340 13.571 ( -7.987 -26.446 9.166) 29.107 15.591 ( -6.499 2.654 -6.499) 9.567======================= Grid point 1120 (400/580) =======================q-point: ( 0.61 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( 4.207 0.865 -2.014) 4.744 4.065 ( 12.762 19.373 2.023) 23.287 4.683 ( 4.457 11.860 -3.647) 13.185 5.516 ( 10.475 7.307 -2.216) 12.963 6.199 ( 1.427 9.852 0.986) 10.003 6.920 ( -2.315 0.832 2.363) 3.411 9.662 ( 3.411 4.003 -1.585) 5.493 10.430 ( 10.083 19.180 7.194) 22.832 10.971 ( -1.052 -2.425 -11.568) 11.866 11.506 ( 5.529 6.855 -3.190) 9.366 13.180 ( -12.105 -24.140 5.953) 27.654 15.499 ( -3.302 -1.598 -2.645) 4.522======================= Grid point 1121 (401/580) =======================q-point: ( 0.67 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( 3.383 0.258 -3.521) 4.890 4.423 ( 5.338 21.243 1.419) 21.949 4.863 ( 5.677 10.348 -2.190) 12.004 5.697 ( 4.856 5.773 -5.018) 9.061 6.297 ( 2.253 3.026 2.704) 4.641 6.893 ( -1.452 -1.816 3.768) 4.427 9.791 ( 8.087 4.643 -4.185) 10.221 10.727 ( 6.052 6.574 7.415) 11.612 10.917 ( -4.929 11.448 -6.434) 14.026 11.690 ( 6.731 9.813 -4.639) 12.772 12.767 ( -13.640 -18.421 3.682) 23.216 15.430 ( 0.617 -7.034 -0.552) 7.083======================= Grid point 1122 (402/580) =======================q-point: ( 0.72 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.831 ( 2.319 0.320 -4.254) 4.855 4.640 ( -4.267 20.886 -0.054) 21.318 5.066 ( 6.934 10.303 0.753) 12.442 5.750 ( -1.808 4.375 -7.689) 9.029 6.350 ( 2.182 -1.660 2.528) 3.729 6.869 ( 1.083 -5.658 5.889) 8.238 9.986 ( 11.563 4.421 -5.597) 13.586 10.743 ( -5.164 0.061 -3.814) 6.421 11.068 ( 3.020 16.921 8.526) 19.187 11.812 ( -2.788 7.622 -4.187) 9.132 12.445 ( -9.045 -7.831 1.105) 12.015 15.382 ( 4.452 -11.192 0.042) 12.045======================= Grid point 1123 (403/580) =======================q-point: (-0.22 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.850 ( 1.000 0.877 -4.211) 4.415 4.689 ( -10.971 16.764 -1.180) 20.070 5.278 ( 2.787 13.695 3.634) 14.440 5.673 ( -5.876 -0.301 -9.326) 11.026 6.364 ( 2.092 -3.149 0.793) 3.863 6.855 ( 2.315 -8.633 7.474) 11.651 10.203 ( 11.308 3.512 -6.552) 13.533 10.589 ( -12.497 1.559 -3.079) 12.965 11.344 ( 10.639 9.385 10.234) 17.493 11.717 ( -12.665 7.257 -2.597) 14.826 12.315 ( -4.754 0.430 -1.955) 5.158 15.372 ( 7.945 -11.916 0.009) 14.322======================= Grid point 1124 (404/580) =======================q-point: (-0.17 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.852 ( -0.777 1.771 -3.379) 3.893 4.596 ( -15.896 11.506 -1.577) 19.686 5.379 ( -12.949 13.962 2.112) 19.159 5.550 ( 1.944 -3.362 -7.012) 8.016 6.370 ( 2.054 -3.315 -0.561) 3.940 6.819 ( 0.677 -9.414 7.542) 12.081 10.274 ( -10.633 0.838 -8.175) 13.439 10.425 ( -0.755 1.546 1.517) 2.294 11.539 ( 1.575 -5.074 -4.978) 7.280 11.713 ( 1.089 22.775 7.295) 23.939 12.223 ( -3.700 -2.808 -0.253) 4.651 15.423 ( 10.312 -9.121 -0.297) 13.771======================= Grid point 1135 (405/580) =======================q-point: ( 0.44 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.473 ( -0.000 4.078 5.959) 7.221 2.827 ( -0.000 19.741 3.617) 20.069 4.329 ( 0.000 5.903 -1.994) 6.231 4.657 ( 0.000 24.496 -3.494) 24.744 5.780 ( 0.000 26.555 1.289) 26.587 7.015 ( 0.000 -0.306 -1.856) 1.881 9.234 ( -0.000 17.152 2.168) 17.288 9.651 ( -0.000 -0.549 8.460) 8.478 11.296 ( 0.000 -1.986 -1.427) 2.446 11.311 ( 0.000 -6.032 -18.481) 19.441 13.945 ( -0.000 -25.038 12.735) 28.091 15.844 ( 0.000 5.242 -12.231) 13.307======================= Grid point 1136 (406/580) =======================q-point: ( 0.50 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.539 ( 1.792 2.916 3.928) 5.210 3.111 ( 10.479 17.554 3.066) 20.672 4.400 ( 2.481 7.086 -2.463) 7.902 4.906 ( 5.148 18.595 -1.504) 19.353 6.024 ( 0.165 22.529 -0.598) 22.538 7.004 ( -1.111 1.397 -1.188) 2.144 9.493 ( 10.627 16.538 2.083) 19.769 9.676 ( -2.047 3.390 6.915) 7.969 11.122 ( -4.723 -5.862 -11.226) 13.516 11.341 ( 4.535 -1.794 -5.242) 7.160 13.719 ( -1.838 -26.815 10.679) 28.922 15.818 ( -4.665 5.315 -9.678) 11.987======================= Grid point 1137 (407/580) =======================q-point: ( 0.56 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.611 ( 2.856 1.780 2.154) 3.996 3.512 ( 16.636 15.517 2.470) 22.883 4.534 ( 5.055 9.246 -3.176) 11.006 5.163 ( 7.907 11.944 0.542) 14.334 6.204 ( -0.731 16.492 -1.928) 16.620 6.999 ( -1.891 3.245 -0.300) 3.768 9.691 ( -3.493 6.004 3.273) 7.679 9.906 ( 18.029 16.298 2.621) 24.445 10.973 ( -1.844 -6.083 -8.919) 10.952 11.390 ( 3.422 1.821 -3.449) 5.189 13.438 ( -4.194 -27.425 8.065) 28.893 15.730 ( -7.949 4.217 -6.464) 11.079======================= Grid point 1138 (408/580) =======================q-point: ( 0.61 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.680 ( 3.149 0.974 0.770) 3.385 3.962 ( 18.557 14.334 2.093) 23.542 4.713 ( 5.335 11.478 -3.697) 13.186 5.400 ( 9.546 6.030 1.647) 11.410 6.305 ( -1.697 10.115 -1.741) 10.403 6.993 ( -3.186 3.580 0.105) 4.793 9.706 ( -2.461 7.089 -0.191) 7.507 10.381 ( 17.600 14.217 4.637) 23.095 10.897 ( 2.048 -2.430 -8.423) 9.002 11.478 ( 4.193 5.626 -1.868) 7.261 13.111 ( -6.704 -25.929 5.524) 27.346 15.598 ( -9.004 1.438 -3.376) 9.723======================= Grid point 1139 (409/580) =======================q-point: ( 0.67 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( 2.894 0.705 -0.317) 2.996 4.407 ( 17.185 14.131 2.102) 22.348 4.891 ( 3.301 12.340 -3.627) 13.279 5.606 ( 9.468 2.651 0.858) 9.870 6.339 ( -1.935 4.340 -0.085) 4.753 6.951 ( -4.807 1.328 0.155) 4.989 9.759 ( 1.289 7.409 -2.243) 7.848 10.681 ( 5.951 0.480 6.458) 8.795 11.002 ( 7.453 13.159 -7.596) 16.924 11.637 ( 7.832 8.101 -1.711) 11.398 12.767 ( -8.222 -21.511 3.694) 23.323 15.441 ( -7.803 -2.799 -1.231) 8.380======================= Grid point 1140 (410/580) =======================q-point: ( 0.72 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.789 ( 2.351 0.970 -1.148) 2.791 4.806 ( 11.214 16.104 2.059) 19.731 5.028 ( 2.506 8.739 -2.534) 9.438 5.762 ( 5.418 3.436 -1.890) 6.688 6.328 ( -1.333 -1.194 1.609) 2.407 6.865 ( -4.511 -2.753 0.967) 5.372 9.881 ( 5.762 7.394 -2.776) 9.777 10.747 ( 2.699 -0.893 1.554) 3.240 11.193 ( 0.587 10.869 0.381) 10.892 11.861 ( 7.260 10.206 -3.030) 12.886 12.479 ( -6.326 -12.750 2.257) 14.411 15.286 ( -4.283 -6.988 -0.218) 8.199======================= Grid point 1141 (411/580) =======================q-point: ( 0.78 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.830 ( 1.654 1.683 -1.660) 2.885 4.997 ( -7.678 15.232 -0.914) 17.082 5.217 ( 13.292 4.481 1.140) 14.073 5.814 ( -4.725 6.809 -3.705) 9.079 6.294 ( 1.053 -5.148 0.837) 5.321 6.775 ( -1.011 -6.999 3.205) 7.764 10.065 ( 8.582 7.021 -3.098) 11.512 10.758 ( -4.246 3.505 -2.471) 6.035 11.251 ( 2.830 -3.338 5.398) 6.949 11.981 ( -4.382 10.741 -0.425) 11.609 12.359 ( -1.370 -1.283 -1.256) 2.259 15.183 ( 1.582 -8.478 0.044) 8.624======================= Grid point 1142 (412/580) =======================q-point: (-0.17 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.865 ( 0.720 2.739 -1.745) 3.326 4.925 ( -12.772 7.258 -0.871) 14.716 5.437 ( 7.153 -0.100 -3.149) 7.816 5.731 ( -12.225 11.932 1.513) 17.150 6.284 ( 3.376 -4.518 -2.302) 6.092 6.720 ( 1.920 -9.211 5.117) 10.711 10.257 ( 7.162 6.246 -5.178) 10.822 10.625 ( -14.155 3.908 -1.123) 14.728 11.309 ( 10.269 -11.031 2.896) 15.347 11.998 ( -4.880 11.516 4.492) 13.289 12.298 ( -6.770 1.013 -3.802) 7.830 15.192 ( 7.679 -5.605 -0.103) 9.507======================= Grid point 1154 (413/580) =======================q-point: ( 0.50 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.561 ( -0.000 1.997 4.033) 4.500 3.190 ( -0.000 15.638 2.540) 15.843 4.422 ( 0.000 5.050 -1.865) 5.383 5.038 ( 0.000 16.680 -0.218) 16.682 6.218 ( 0.000 18.402 -2.334) 18.550 7.032 ( 0.000 3.529 -1.320) 3.768 9.548 ( 0.000 13.636 1.598) 13.729 9.772 ( -0.000 7.374 6.735) 9.987 11.059 ( 0.000 -8.355 -12.350) 14.910 11.282 ( 0.000 1.425 -0.935) 1.704 13.504 ( -0.000 -27.575 8.357) 28.813 15.883 ( 0.000 5.553 -7.686) 9.482======================= Grid point 1155 (414/580) =======================q-point: ( 0.56 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.602 ( 1.286 1.314 3.925) 4.335 3.426 ( 10.227 13.158 2.031) 16.788 4.504 ( 4.850 5.405 -2.065) 7.550 5.204 ( 2.375 12.401 1.639) 12.732 6.353 ( -0.855 12.823 -3.345) 13.280 7.064 ( -1.014 5.587 -1.411) 5.852 9.779 ( 12.290 11.705 0.979) 17.001 9.847 ( -3.611 9.793 4.718) 11.454 10.921 ( -2.207 -7.089 -7.552) 10.591 11.338 ( 3.903 3.076 -1.312) 5.140 13.247 ( -1.863 -27.362 5.808) 28.034 15.869 ( -5.137 4.902 -5.273) 8.844======================= Grid point 1156 (415/580) =======================q-point: ( 0.61 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( 1.995 0.940 3.631) 4.248 3.781 ( 17.150 10.801 1.650) 20.334 4.672 ( 8.679 7.099 -2.654) 11.522 5.360 ( 3.818 7.344 3.450) 8.967 6.416 ( -1.995 7.687 -3.173) 8.552 7.087 ( -2.635 5.929 -1.871) 6.752 9.870 ( -6.214 10.502 1.507) 12.295 10.172 ( 20.661 9.663 1.067) 22.834 10.826 ( 0.265 -4.047 -3.983) 5.684 11.452 ( 4.962 5.324 -0.543) 7.298 12.960 ( -3.562 -25.615 3.530) 26.101 15.771 ( -9.435 3.241 -2.963) 10.407======================= Grid point 1157 (416/580) =======================q-point: ( 0.67 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.709 ( 2.186 0.912 3.017) 3.836 4.198 ( 20.263 8.700 1.556) 22.107 4.897 ( 9.023 9.911 -3.391) 13.825 5.497 ( 5.599 2.106 4.670) 7.589 6.419 ( -2.960 3.657 -1.983) 5.105 7.063 ( -5.349 3.959 -2.636) 7.158 9.873 ( -4.931 10.168 0.101) 11.302 10.557 ( 12.879 0.295 4.500) 13.646 10.895 ( 12.053 7.977 -6.743) 15.949 11.593 ( 5.319 5.482 1.085) 7.715 12.670 ( -4.435 -21.535 2.082) 22.085 15.602 ( -12.054 0.686 -1.269) 12.140======================= Grid point 1158 (417/580) =======================q-point: ( 0.72 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.764 ( 2.071 1.214 2.080) 3.176 4.619 ( 20.359 6.263 1.676) 21.366 5.112 ( 3.890 12.711 -3.253) 13.685 5.630 ( 8.904 -1.891 4.062) 9.967 6.377 ( -3.893 0.296 -0.338) 3.919 6.963 ( -7.973 0.601 -3.136) 8.588 9.921 ( -0.796 9.938 0.651) 9.992 10.664 ( 5.264 -4.294 3.880) 7.824 11.229 ( 9.655 13.563 -6.665) 17.933 11.751 ( 10.216 1.910 1.213) 10.464 12.437 ( -3.218 -13.432 2.003) 13.957 15.386 ( -12.118 -1.973 -0.380) 12.283======================= Grid point 1159 (418/580) =======================q-point: ( 0.78 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.816 ( 1.871 1.850 0.997) 2.813 4.986 ( 17.412 1.134 1.121) 17.485 5.227 ( -3.619 12.996 -0.750) 13.511 5.792 ( 10.543 -0.629 0.718) 10.586 6.293 ( -5.011 -2.470 1.044) 5.684 6.804 ( -7.793 -2.951 -2.490) 8.697 10.042 ( 3.355 9.731 1.308) 10.376 10.735 ( 6.455 -2.683 1.999) 7.271 11.293 ( -7.390 1.922 -2.913) 8.172 11.988 ( 11.904 3.430 -2.028) 12.553 12.339 ( 0.495 -3.512 2.619) 4.409 15.184 ( -8.186 -2.888 -0.066) 8.681======================= Grid point 1160 (419/580) =======================q-point: (-0.17 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.870 ( 1.627 2.818 -0.000) 3.253 5.103 ( -2.610 -4.521 -0.000) 5.220 5.335 ( 4.417 7.650 0.000) 8.834 5.945 ( 3.433 5.946 -0.000) 6.865 6.188 ( -2.397 -4.151 -0.000) 4.793 6.658 ( -3.340 -5.785 -0.000) 6.680 10.214 ( 5.318 9.212 -0.000) 10.637 10.824 ( 1.565 2.711 -0.000) 3.131 11.112 ( -5.438 -9.419 0.000) 10.876 12.091 ( -0.567 -0.983 -0.000) 1.135 12.375 ( 1.377 2.384 -0.000) 2.753 15.094 ( -0.011 -0.019 -0.000) 0.022======================= Grid point 1174 (420/580) =======================q-point: ( 0.56 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.619 ( -0.000 0.996 5.479) 5.569 3.458 ( -0.000 10.596 1.520) 10.705 4.496 ( 0.000 3.817 -1.644) 4.156 5.307 ( -0.000 10.445 3.058) 10.884 6.451 ( 0.000 8.568 -3.987) 9.450 7.128 ( 0.000 6.947 -2.414) 7.354 9.767 ( 0.000 8.155 0.427) 8.166 10.010 ( -0.000 12.871 4.423) 13.610 10.849 ( 0.000 -6.880 -5.398) 8.745 11.334 ( 0.000 3.958 0.124) 3.960 13.018 ( -0.000 -26.104 3.163) 26.294 15.945 ( 0.000 4.653 -3.563) 5.860======================= Grid point 1175 (421/580) =======================q-point: ( 0.61 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.656 ( 0.858 0.896 6.395) 6.514 3.640 ( 10.299 7.889 1.124) 13.022 4.580 ( 6.472 3.718 -1.731) 7.662 5.414 ( 0.720 7.357 4.664) 8.741 6.493 ( -1.230 5.170 -3.869) 6.574 7.173 ( -1.411 6.391 -3.398) 7.375 9.948 ( 13.305 5.599 -0.132) 14.435 10.103 ( -5.764 13.690 2.523) 15.066 10.773 ( -0.036 -4.928 -1.308) 5.099 11.417 ( 4.508 4.675 0.636) 6.526 12.771 ( -1.573 -23.340 0.722) 23.404 15.928 ( -5.762 3.633 -1.884) 7.068======================= Grid point 1176 (422/580) =======================q-point: ( 0.67 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.705 ( 1.288 0.930 6.317) 6.514 3.946 ( 17.642 5.268 1.007) 18.439 4.768 ( 11.899 4.537 -2.229) 12.928 5.500 ( 0.754 3.853 6.244) 7.376 6.487 ( -2.486 2.674 -3.133) 4.811 7.170 ( -3.797 4.095 -4.467) 7.152 10.101 ( -8.183 11.736 2.058) 14.455 10.287 ( 19.302 1.889 -0.080) 19.395 10.778 ( 5.324 0.770 -0.376) 5.392 11.557 ( 5.547 4.337 1.766) 7.260 12.532 ( -2.356 -18.596 -0.903) 18.766 15.812 ( -10.902 2.123 -0.660) 11.127======================= Grid point 1177 (423/580) =======================q-point: ( 0.72 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.757 ( 1.477 1.043 5.268) 5.569 4.315 ( 20.940 2.516 1.214) 21.126 5.036 ( 14.340 6.363 -3.267) 16.025 5.554 ( 0.874 -0.295 7.641) 7.697 6.443 ( -3.671 0.767 -1.952) 4.228 7.088 ( -7.018 0.988 -5.482) 8.960 10.092 ( -6.191 10.762 3.617) 12.932 10.508 ( 8.956 -6.582 2.567) 11.407 11.055 ( 20.839 11.144 -5.212) 24.199 11.656 ( 2.224 -0.946 2.644) 3.582 12.353 ( -0.881 -10.802 -0.609) 10.855 15.610 ( -14.277 0.750 -0.068) 14.296======================= Grid point 1178 (424/580) =======================q-point: (-0.22 -0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.810 ( 1.680 1.347 3.604) 4.198 4.675 ( 20.018 -1.234 1.389) 20.104 5.317 ( 9.435 10.293 -3.835) 14.480 5.587 ( 5.177 -6.447 7.590) 11.224 6.370 ( -4.813 -0.311 -0.302) 4.832 6.923 ( -9.535 -1.694 -5.929) 11.355 10.141 ( -1.705 9.984 5.565) 11.557 10.564 ( 7.203 -8.325 1.797) 11.154 11.437 ( 0.754 13.083 -7.738) 15.219 11.694 ( 16.241 -6.769 1.768) 17.683 12.295 ( 1.330 -4.300 2.002) 4.926 15.372 ( -14.225 0.805 0.058) 14.247======================= Grid point 1193 (425/580) =======================q-point: ( 0.61 0.61 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.683 ( -0.000 0.891 8.480) 8.527 3.617 ( -0.000 5.014 0.659) 5.057 4.545 ( 0.000 2.343 -1.396) 2.728 5.492 ( -0.000 5.692 6.057) 8.311 6.531 ( 0.000 3.323 -4.076) 5.259 7.228 ( 0.000 4.956 -4.572) 6.743 9.871 ( 0.000 2.998 -0.846) 3.115 10.306 ( -0.000 14.286 2.332) 14.475 10.726 ( -0.000 -4.235 2.137) 4.744 11.417 ( -0.000 3.612 1.283) 3.833 12.575 ( -0.000 -19.089 -2.132) 19.208 16.007 ( 0.000 3.084 -0.725) 3.168======================= Grid point 1194 (426/580) =======================q-point: ( 0.67 0.61 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.726 ( 0.400 0.785 9.136) 9.178 3.743 ( 10.518 2.218 0.486) 10.760 4.623 ( 7.450 1.862 -1.432) 7.811 5.558 ( -0.213 3.437 7.511) 8.263 6.531 ( -1.407 1.937 -3.841) 4.527 7.231 ( -1.862 2.224 -5.711) 6.405 10.000 ( 13.130 0.530 -1.302) 13.205 10.364 ( -6.846 8.905 1.753) 11.369 10.730 ( 1.293 1.041 5.086) 5.350 11.504 ( 5.431 2.938 2.049) 6.506 12.397 ( -1.166 -12.989 -4.348) 13.747 15.979 ( -6.261 2.117 0.097) 6.610======================= Grid point 1195 (427/580) =======================q-point: (-0.28 -0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.770 ( 0.618 0.458 8.135) 8.171 3.997 ( 18.000 -0.484 0.762) 18.023 4.814 ( 13.759 1.564 -1.814) 13.966 5.597 ( -1.088 0.973 8.785) 8.906 6.497 ( -2.755 0.855 -3.167) 4.284 7.164 ( -4.444 -1.011 -6.896) 8.266 10.245 ( 15.334 -5.040 -0.770) 16.160 10.312 ( -6.524 5.149 4.474) 9.439 10.851 ( 9.200 6.471 2.553) 11.534 11.628 ( 4.040 1.844 2.673) 5.183 12.272 ( -0.645 -5.706 -4.818) 7.496 15.844 ( -11.679 1.341 0.407) 11.763======================= Grid point 1196 (428/580) =======================q-point: (-0.22 -0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.810 ( 1.077 0.140 5.983) 6.081 4.313 ( 20.775 -3.564 1.315) 21.120 5.086 ( 17.782 0.762 -2.630) 17.991 5.595 ( -2.653 -1.424 9.426) 9.895 6.438 ( -3.765 0.197 -1.888) 4.217 7.018 ( -7.174 -3.590 -7.721) 11.134 10.259 ( -0.124 -4.024 7.260) 8.302 10.390 ( 4.453 -1.284 -0.263) 4.642 11.210 ( 23.946 6.595 -0.639) 24.846 11.653 ( -4.203 2.558 0.825) 4.989 12.238 ( 1.314 -1.420 -2.302) 3.007 15.634 ( -14.654 1.713 0.339) 14.758======================= Grid point 1212 (429/580) =======================q-point: (-0.33 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.763 ( -0.000 0.390 10.706) 10.713 3.660 ( -0.000 -0.743 0.139) 0.756 4.566 ( 0.000 0.726 -1.199) 1.402 5.614 ( -0.000 1.804 8.909) 9.090 6.545 ( 0.000 1.260 -4.113) 4.302 7.233 ( 0.000 -0.772 -6.843) 6.887 9.878 ( 0.000 -1.167 -1.727) 2.084 10.435 ( -0.000 -5.384 0.731) 5.433 10.833 ( -0.000 13.398 10.169) 16.820 11.473 ( -0.000 0.761 2.050) 2.187 12.298 ( 0.000 -5.454 -7.253) 9.075 16.051 ( -0.000 1.521 0.586) 1.630======================= Grid point 1213 (430/580) =======================q-point: (-0.28 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.798 ( -0.169 -0.502 10.249) 10.262 3.733 ( 10.868 -3.460 0.329) 11.410 4.631 ( 7.759 -0.094 -1.218) 7.854 5.649 ( -0.671 -0.326 10.099) 10.127 6.527 ( -1.442 0.550 -3.897) 4.191 7.168 ( -2.023 -4.048 -8.040) 9.226 9.956 ( 11.620 -3.964 -2.006) 12.440 10.347 ( -0.289 -10.583 2.682) 10.921 10.963 ( -5.237 15.364 9.655) 18.886 11.557 ( 7.163 1.047 3.550) 8.063 12.245 ( -1.050 2.023 -8.909) 9.196 16.011 ( -6.396 1.030 0.630) 6.509======================= Grid point 1214 (431/580) =======================q-point: (-0.22 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.817 ( 0.092 -1.707 7.941) 8.123 3.940 ( 18.215 -6.081 1.071) 19.233 4.804 ( 13.858 -1.409 -1.391) 13.999 5.650 ( -1.762 -2.548 10.500) 10.947 6.483 ( -2.553 -0.330 -3.043) 3.985 7.036 ( -4.157 -6.349 -8.943) 11.729 10.076 ( 8.482 -11.639 -0.430) 14.408 10.308 ( 7.204 -7.933 2.775) 11.069 11.081 ( 2.131 13.011 6.929) 14.894 11.702 ( 4.062 3.796 5.574) 7.873 12.239 ( -1.293 6.548 -8.978) 11.188 15.872 ( -11.372 1.408 0.364) 11.464======================= Grid point 1231 (432/580) =======================q-point: (-0.28 -0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.827 ( -0.000 -1.900 10.930) 11.094 3.591 ( -0.000 -6.410 0.117) 6.412 4.556 ( 0.000 -0.967 -1.127) 1.485 5.677 ( -0.000 -2.657 11.210) 11.520 6.527 ( 0.000 -0.442 -4.094) 4.117 7.102 ( 0.000 -6.812 -9.099) 11.366 9.806 ( 0.000 -5.050 -2.023) 5.440 10.216 ( -0.000 -16.289 2.565) 16.489 11.257 ( -0.000 20.122 14.338) 24.707 11.471 ( -0.000 -2.341 2.236) 3.237 12.277 ( 0.000 9.206 -11.128) 14.442 16.075 ( -0.000 0.695 0.406) 0.805======================= Grid point 1232 (433/580) =======================q-point: (-0.22 -0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.826 ( -0.829 -3.951 9.300) 10.138 3.617 ( 11.428 -8.907 0.765) 14.510 4.603 ( 7.475 -2.041 -1.148) 7.833 5.670 ( -0.752 -5.449 11.498) 12.746 6.488 ( -1.140 -3.125 -3.854) 5.091 6.984 ( -1.796 -7.322 -9.594) 12.202 9.820 ( 8.305 -8.760 -1.994) 12.235 10.087 ( 3.986 -16.483 2.750) 17.180 11.306 ( -8.433 9.421 7.545) 14.724 11.657 ( 9.204 8.177 10.937) 16.468 12.336 ( -1.941 13.933 -12.327) 18.704 16.031 ( -6.012 1.016 -0.127) 6.099======================= Grid point 1250 (434/580) =======================q-point: (-0.22 -0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.819 ( -0.000 -6.488 9.453) 11.465 3.417 ( -0.000 -11.817 0.640) 11.834 4.514 ( 0.000 -2.644 -1.217) 2.911 5.646 ( -0.000 -9.075 11.632) 14.754 6.421 ( 0.000 -10.171 -5.045) 11.353 6.910 ( 0.000 -3.648 -8.748) 9.478 9.656 ( 0.000 -9.225 -1.676) 9.376 9.897 ( -0.000 -17.386 2.522) 17.568 11.424 ( -0.000 -3.554 1.814) 3.990 11.766 ( -0.000 20.444 18.172) 27.353 12.467 ( 0.000 18.105 -12.852) 22.203 16.089 ( 0.000 1.151 -1.029) 1.544======================= Grid point 1385 (435/580) =======================q-point: ( 0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( -0.000 0.000 18.690) 18.690 0.886 ( -0.000 0.000 18.690) 18.690 1.678 ( -0.000 0.000 36.549) 36.549 3.916 ( 0.000 -0.000 -2.280) 2.280 3.916 ( 0.000 -0.000 -2.280) 2.280 8.137 ( -0.000 0.000 0.864) 0.864 8.137 ( -0.000 0.000 0.864) 0.864 8.283 ( 0.000 -0.000 -11.318) 11.318 11.658 ( 0.000 -0.000 -0.692) 0.692 11.658 ( 0.000 -0.000 -0.692) 0.692 14.924 ( -0.000 0.000 4.155) 4.155 15.346 ( 0.000 -0.000 -2.074) 2.074======================= Grid point 1386 (436/580) =======================q-point: ( 0.28 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 16.965 9.795 13.973) 24.062 1.282 ( 26.038 15.033 14.952) 33.578 1.900 ( 11.306 6.527 29.173) 31.961 3.907 ( 0.955 0.551 -2.450) 2.687 4.036 ( 10.078 5.818 -1.832) 11.780 7.483 ( -18.303 -10.567 2.919) 21.335 8.205 ( 5.131 2.962 0.996) 6.008 9.380 ( 51.521 29.746 -23.756) 64.060 11.429 ( -16.405 -9.471 -2.267) 19.078 11.620 ( -2.739 -1.581 -0.756) 3.251 14.892 ( -4.109 -2.372 5.511) 7.272 15.571 ( 15.893 9.176 -10.513) 21.149======================= Grid point 1387 (437/580) =======================q-point: ( 0.33 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 20.542 11.860 8.923) 25.343 1.795 ( 13.513 7.802 19.389) 24.888 2.491 ( 34.689 20.028 10.590) 41.432 3.941 ( 2.788 1.610 -2.266) 3.937 4.331 ( 16.317 9.421 -0.431) 18.846 7.227 ( -7.557 -4.363 -0.237) 8.730 8.369 ( 9.218 5.322 1.142) 10.705 10.098 ( 13.531 7.812 -7.605) 17.377 11.174 ( 2.683 1.549 -18.204) 18.466 11.537 ( -4.285 -2.474 -0.804) 5.013 14.793 ( -6.522 -3.766 8.415) 11.293 15.785 ( 5.804 3.351 -15.807) 17.169======================= Grid point 1388 (438/580) =======================q-point: ( 0.39 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 11.201 6.467 14.380) 19.341 2.156 ( 20.393 11.774 5.149) 24.104 3.358 ( 38.954 22.490 2.540) 45.052 4.014 ( 4.253 2.455 -1.752) 5.213 4.736 ( 19.439 11.223 1.361) 22.488 7.088 ( -5.066 -2.925 -2.151) 6.233 8.618 ( 12.528 7.233 1.329) 14.527 10.034 ( -11.391 -6.577 6.271) 14.572 11.387 ( 16.398 9.467 -26.904) 32.899 11.433 ( -4.521 -2.610 -0.881) 5.294 14.675 ( -7.198 -4.156 12.921) 15.364 15.729 ( -4.757 -2.746 -17.234) 18.088======================= Grid point 1389 (439/580) =======================q-point: ( 0.44 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.404 ( 11.559 6.673 6.898) 15.024 2.602 ( 18.358 10.599 2.451) 21.339 4.114 ( 5.100 2.944 -1.027) 5.978 4.188 ( 34.738 20.056 -1.917) 40.157 5.185 ( 19.703 11.375 3.063) 22.956 6.977 ( -4.252 -2.455 -2.029) 5.312 8.925 ( 14.292 8.251 1.591) 16.579 9.822 ( -8.036 -4.639 6.420) 11.283 11.341 ( -3.189 -1.841 -1.066) 3.833 11.557 ( 5.706 3.294 -23.941) 24.831 14.528 ( -12.083 -6.976 16.051) 21.267 15.541 ( -4.473 -2.583 -16.282) 17.082======================= Grid point 1390 (440/580) =======================q-point: ( 0.50 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.663 ( 10.321 5.959 0.202) 11.919 2.984 ( 15.293 8.829 0.742) 17.674 4.228 ( 5.204 3.004 -0.270) 6.015 4.868 ( 27.216 15.713 -5.912) 31.977 5.616 ( 17.584 10.152 4.411) 20.778 6.892 ( -2.902 -1.676 0.168) 3.355 9.247 ( 13.672 7.894 1.904) 15.902 9.745 ( -0.487 -0.281 5.067) 5.098 11.294 ( -0.479 -0.276 -1.403) 1.508 11.491 ( -3.893 -2.248 -21.040) 21.515 14.176 ( -23.675 -13.669 10.941) 29.446 15.508 ( 5.309 3.065 -8.109) 10.166======================= Grid point 1391 (441/580) =======================q-point: ( 0.56 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.856 ( 7.708 4.450 -5.161) 10.288 3.286 ( 11.716 6.764 -0.075) 13.528 4.339 ( 4.624 2.670 0.380) 5.353 5.352 ( 18.605 10.742 -9.582) 23.523 5.982 ( 13.451 7.766 5.202) 16.379 6.861 ( -0.264 -0.152 3.921) 3.933 9.528 ( 10.561 6.097 2.147) 12.382 9.832 ( 6.828 3.942 3.125) 8.481 11.289 ( -7.293 -4.211 -17.729) 19.627 11.314 ( 2.660 1.536 -1.813) 3.567 13.601 ( -29.140 -16.824 6.181) 34.211 15.668 ( 9.219 5.323 -1.756) 10.789======================= Grid point 1392 (442/580) =======================q-point: ( 0.61 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.971 ( 4.786 2.763 -8.980) 10.544 3.503 ( 7.839 4.526 -0.269) 9.056 4.433 ( 3.563 2.057 0.870) 4.205 5.643 ( 11.208 6.471 -12.024) 17.665 6.239 ( 7.975 4.604 5.234) 10.592 6.909 ( 2.522 1.456 7.786) 8.312 9.722 ( 6.233 3.599 2.172) 7.518 10.056 ( 12.185 7.035 0.815) 14.094 11.085 ( -5.516 -3.185 -14.120) 15.490 11.390 ( 4.421 2.552 -2.113) 5.525 12.972 ( -28.203 -16.283 5.417) 33.013 15.861 ( 7.764 4.482 0.010) 8.965======================= Grid point 1393 (443/580) =======================q-point: ( 0.67 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.014 ( 2.298 1.327 -11.185) 11.496 3.631 ( 3.681 2.125 -0.204) 4.255 4.501 ( 2.227 1.286 1.201) 2.838 5.790 ( 6.219 3.590 -12.947) 14.805 6.380 ( 3.503 2.022 5.052) 6.472 7.001 ( 2.267 1.309 10.215) 10.545 9.823 ( 2.240 1.293 2.009) 3.275 10.346 ( 12.481 7.206 -1.236) 14.464 10.970 ( -0.270 -0.156 -11.914) 11.918 11.477 ( 3.536 2.042 -2.222) 4.649 12.426 ( -21.590 -12.465 7.263) 25.967 15.998 ( 4.438 2.562 -0.147) 5.126======================= Grid point 1394 (444/580) =======================q-point: (-0.28 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.002 ( 0.170 0.098 -11.885) 11.886 3.664 ( -0.768 -0.443 -0.182) 0.905 4.539 ( 0.750 0.433 1.371) 1.622 5.841 ( 2.331 1.346 -13.234) 13.505 6.448 ( 1.386 0.800 5.109) 5.353 7.050 ( -1.582 -0.913 11.167) 11.315 9.841 ( -1.108 -0.640 1.836) 2.238 10.475 ( -2.841 -1.640 -2.941) 4.406 11.061 ( 13.278 7.666 -12.088) 19.524 11.518 ( 0.708 0.409 -2.198) 2.345 12.117 ( -7.696 -4.444 10.261) 13.575 16.061 ( 1.465 0.846 -0.330) 1.724======================= Grid point 1395 (445/580) =======================q-point: (-0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( -2.276 -1.314 -11.267) 11.570 3.594 ( -5.454 -3.149 -0.342) 6.308 4.544 ( -0.786 -0.454 1.374) 1.647 5.799 ( -2.316 -1.337 -12.882) 13.157 6.482 ( -0.091 -0.052 4.704) 4.705 6.999 ( -5.986 -3.456 11.144) 13.114 9.786 ( -4.350 -2.511 1.746) 5.317 10.247 ( -14.255 -8.230 -3.478) 16.824 11.403 ( 19.220 11.097 -14.270) 26.385 11.493 ( -2.115 -1.221 -2.074) 3.204 12.159 ( 7.185 4.148 12.072) 14.648 16.076 ( 0.246 0.142 0.245) 0.375======================= Grid point 1404 (446/580) =======================q-point: ( 0.28 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( -0.000 12.455 14.989) 19.489 1.455 ( -0.000 30.703 15.662) 34.466 2.005 ( -0.000 12.512 26.573) 29.372 3.943 ( 0.000 3.245 -2.256) 3.953 3.987 ( 0.000 9.866 -1.952) 10.058 7.497 ( -0.000 -21.339 2.116) 21.444 8.178 ( -0.000 4.544 0.978) 4.648 9.306 ( 0.000 56.451 -20.457) 60.043 11.437 ( 0.000 -16.001 -3.252) 16.328 11.636 ( 0.000 -2.268 -0.747) 2.388 14.906 ( -0.000 -5.170 5.724) 7.714 15.530 ( 0.000 16.031 -9.256) 18.511======================= Grid point 1405 (447/580) =======================q-point: ( 0.33 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 19.390 14.186 10.382) 26.172 1.823 ( 5.755 16.587 20.670) 27.121 2.368 ( 14.088 28.757 11.484) 34.020 3.954 ( -0.686 5.214 -2.087) 5.658 4.204 ( 10.807 13.053 -0.785) 16.964 7.281 ( -5.785 -9.245 0.183) 10.907 8.300 ( 6.470 7.013 1.122) 9.607 9.890 ( 18.159 25.212 -12.657) 33.550 11.197 ( -7.963 -4.854 -11.746) 14.998 11.578 ( -3.015 -2.473 -0.923) 4.007 14.843 ( -2.755 -7.063 7.767) 10.854 15.692 ( 5.309 9.277 -13.800) 17.455======================= Grid point 1406 (448/580) =======================q-point: ( 0.39 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 19.093 14.571 6.284) 24.827 2.102 ( 6.873 9.358 17.810) 21.260 3.057 ( 27.395 31.554 2.076) 41.838 4.014 ( 1.448 7.170 -1.437) 7.455 4.566 ( 15.735 14.759 0.918) 21.593 7.130 ( -4.677 -4.445 -1.736) 6.682 8.524 ( 9.695 10.276 1.292) 14.186 10.087 ( -1.660 -8.784 5.125) 10.304 11.178 ( 7.874 12.193 -24.206) 28.224 11.498 ( -3.843 -0.264 -2.247) 4.460 14.746 ( -3.736 -7.952 11.327) 14.335 15.720 ( -2.090 0.958 -16.395) 16.556======================= Grid point 1407 (449/580) =======================q-point: ( 0.44 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.322 ( 9.447 6.928 8.976) 14.759 2.467 ( 15.498 16.810 4.460) 23.295 3.803 ( 28.064 19.804 -2.527) 34.441 4.149 ( 5.170 14.389 -0.248) 15.292 4.999 ( 17.933 14.449 2.612) 23.178 7.016 ( -4.132 -2.820 -2.093) 5.423 8.822 ( 11.529 13.257 1.565) 17.638 9.901 ( -7.127 -10.945 7.206) 14.917 11.315 ( 4.503 -0.432 -11.781) 12.620 11.466 ( 0.207 6.522 -13.402) 14.906 14.638 ( -5.243 -10.301 15.316) 19.188 15.566 ( -7.028 -1.271 -17.144) 18.572======================= Grid point 1408 (450/580) =======================q-point: ( 0.50 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.559 ( 9.187 5.718 2.746) 11.164 2.879 ( 12.907 16.698 1.297) 21.145 4.164 ( 7.945 4.809 -1.388) 9.390 4.613 ( 22.348 23.368 -3.965) 32.576 5.441 ( 17.636 12.592 4.013) 22.039 6.926 ( -3.223 -1.744 -0.621) 3.717 9.160 ( 11.297 15.152 1.948) 19.000 9.756 ( -2.216 -6.030 5.610) 8.529 11.301 ( 0.106 -0.724 -4.072) 4.138 11.445 ( -1.908 -0.181 -18.151) 18.252 14.399 ( -15.349 -16.593 12.537) 25.847 15.450 ( 0.405 2.820 -11.100) 11.460======================= Grid point 1409 (451/580) =======================q-point: ( 0.56 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 7.912 3.953 -3.059) 9.359 3.223 ( 9.237 15.679 -0.027) 18.198 4.312 ( 4.514 6.044 -0.045) 7.543 5.134 ( 18.611 15.901 -7.818) 25.697 5.841 ( 15.142 9.665 5.054) 18.661 6.880 ( -1.121 -0.435 2.329) 2.622 9.485 ( 8.461 15.538 2.333) 17.846 9.757 ( 4.754 -1.469 3.540) 6.107 11.285 ( -4.646 -5.087 -17.903) 19.183 11.310 ( 0.035 2.907 -1.508) 3.275 13.904 ( -24.983 -19.464 6.181) 32.268 15.549 ( 8.538 3.821 -2.757) 9.752======================= Grid point 1410 (452/580) =======================q-point: ( 0.61 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( 5.785 2.038 -7.444) 9.646 3.487 ( 5.198 14.211 -0.401) 15.137 4.435 ( 2.468 6.957 0.673) 7.413 5.481 ( 12.320 9.457 -10.497) 18.746 6.153 ( 10.579 6.118 5.479) 13.393 6.903 ( 2.005 0.805 5.758) 6.150 9.743 ( 3.586 14.828 2.534) 15.465 9.903 ( 11.212 1.768 1.117) 11.406 11.079 ( -5.464 -6.060 -13.096) 15.430 11.377 ( 2.512 6.322 -2.940) 7.411 13.290 ( -27.438 -18.404 4.105) 33.292 15.736 ( 10.115 1.471 0.258) 10.224======================= Grid point 1411 (453/580) =======================q-point: ( 0.67 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.935 ( 3.612 0.536 -10.189) 10.824 3.665 ( 0.896 12.388 -0.325) 12.425 4.531 ( 0.311 7.391 1.111) 7.480 5.673 ( 7.441 4.954 -11.724) 14.743 6.346 ( 5.442 2.727 5.175) 7.990 6.989 ( 3.825 0.791 8.479) 9.335 9.904 ( -1.789 13.702 2.381) 14.022 10.155 ( 15.283 3.233 -1.314) 15.677 10.923 ( -2.046 -4.475 -9.780) 10.948 11.478 ( 2.052 7.661 -3.020) 8.487 12.703 ( -24.269 -14.851 4.987) 28.886 15.893 ( 8.327 -1.565 0.308) 8.479======================= Grid point 1412 (454/580) =======================q-point: ( 0.72 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.942 ( 1.702 -0.517 -11.311) 11.450 3.751 ( -3.668 10.284 -0.251) 10.922 4.593 ( -1.848 7.301 1.345) 7.651 5.760 ( 3.978 1.933 -12.137) 12.918 6.439 ( 2.421 0.512 4.889) 5.479 7.073 ( 1.802 -1.130 9.863) 10.089 9.965 ( -6.286 11.658 1.992) 13.394 10.410 ( 10.188 0.908 -2.846) 10.617 10.878 ( 5.148 -1.035 -8.923) 10.354 11.556 ( -0.175 6.997 -2.898) 7.575 12.276 ( -14.535 -8.071 7.411) 18.202 15.983 ( 5.728 -4.014 -0.269) 7.000======================= Grid point 1413 (455/580) =======================q-point: (-0.22 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.907 ( -0.294 -1.487 -10.964) 11.069 3.737 ( -8.481 7.953 -0.407) 11.633 4.618 ( -3.829 6.653 1.366) 7.797 5.762 ( 0.365 -0.727 -12.179) 12.207 6.484 ( 1.283 -0.545 4.556) 4.764 7.075 ( -2.833 -3.955 10.234) 11.331 9.936 ( -9.372 8.099 1.872) 12.527 10.378 ( -9.194 -4.903 -3.523) 10.999 11.061 ( 17.759 1.524 -9.718) 20.301 11.596 ( -1.816 8.089 -4.110) 9.253 12.148 ( 0.464 0.070 10.104) 10.115 16.016 ( 4.016 -5.120 -0.296) 6.514======================= Grid point 1423 (456/580) =======================q-point: ( 0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -0.000 20.226 10.323) 22.708 1.993 ( -0.000 10.209 23.471) 25.595 2.607 ( 0.000 38.223 3.716) 38.404 4.007 ( 0.000 4.938 -2.317) 5.455 4.263 ( 0.000 19.055 0.438) 19.060 7.236 ( -0.000 -8.661 -0.557) 8.679 8.326 ( -0.000 9.946 1.377) 10.040 9.940 ( 0.000 15.912 -4.697) 16.591 11.195 ( 0.000 2.247 -17.944) 18.085 11.565 ( 0.000 -4.406 -0.952) 4.508 14.812 ( -0.000 -9.440 8.865) 12.950 15.700 ( 0.000 9.117 -14.018) 16.722======================= Grid point 1424 (457/580) =======================q-point: ( 0.39 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 14.194 19.891 7.330) 25.512 2.167 ( 2.875 6.520 20.018) 21.248 3.087 ( 10.785 39.132 -1.337) 40.613 4.061 ( 1.296 7.063 -1.836) 7.412 4.536 ( 7.954 20.882 1.794) 22.417 7.140 ( -2.620 -5.191 -1.759) 6.075 8.499 ( 6.663 12.582 1.588) 14.326 10.014 ( 1.367 -7.764 6.221) 10.043 11.178 ( -1.204 12.985 -23.834) 27.168 11.515 ( -0.410 -2.571 -2.409) 3.547 14.733 ( -1.409 -11.120 11.391) 15.981 15.715 ( -1.107 3.982 -15.833) 16.363======================= Grid point 1425 (458/580) =======================q-point: ( 0.44 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.279 ( 9.153 10.890 6.971) 15.842 2.414 ( 12.731 14.653 10.467) 22.053 3.651 ( 16.048 28.915 -4.280) 33.345 4.200 ( 5.429 13.139 -0.657) 14.231 4.915 ( 12.094 20.040 2.858) 23.580 7.043 ( -3.281 -3.085 -2.187) 5.007 8.788 ( 10.430 15.908 1.874) 19.114 9.897 ( -3.825 -13.622 8.392) 16.451 11.216 ( 2.107 5.122 -17.422) 18.281 11.495 ( -0.510 2.500 -7.533) 7.953 14.630 ( -2.178 -13.663 14.517) 20.054 15.619 ( -6.031 1.193 -17.000) 18.078======================= Grid point 1426 (459/580) =======================q-point: ( 0.50 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( 6.874 5.621 4.442) 9.929 2.851 ( 13.745 19.777 3.589) 24.350 4.060 ( 10.734 11.987 -4.018) 16.585 4.541 ( 14.141 23.250 -1.927) 27.281 5.326 ( 13.849 17.228 3.582) 22.392 6.960 ( -3.070 -1.741 -1.196) 3.727 9.151 ( 11.334 19.261 2.350) 22.471 9.744 ( -2.975 -9.384 6.297) 11.686 11.223 ( 2.892 -1.083 -12.150) 12.537 11.459 ( -3.144 0.888 -9.209) 9.771 14.456 ( -7.264 -19.103 14.025) 24.787 15.479 ( -4.922 3.311 -13.826) 15.045======================= Grid point 1427 (460/580) =======================q-point: ( 0.56 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.657 ( 6.690 3.759 -0.727) 7.708 3.251 ( 9.732 20.603 1.166) 22.816 4.283 ( 6.897 8.443 -1.751) 11.041 5.003 ( 15.272 19.837 -5.301) 25.590 5.718 ( 13.670 13.001 4.228) 19.333 6.906 ( -1.812 -0.512 1.069) 2.165 9.534 ( 9.203 21.531 2.911) 23.595 9.681 ( 1.857 -4.686 3.730) 6.271 11.206 ( 1.452 -3.285 -15.297) 15.713 11.364 ( -3.994 0.606 -3.152) 5.123 14.083 ( -17.345 -22.395 7.847) 29.394 15.468 ( 3.154 3.778 -5.539) 7.409======================= Grid point 1428 (461/580) =======================q-point: ( 0.61 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.777 ( 5.501 1.919 -4.941) 7.639 3.577 ( 5.121 20.582 0.049) 21.209 4.461 ( 4.621 9.243 -0.255) 10.337 5.361 ( 11.018 13.060 -8.136) 18.925 6.050 ( 11.609 8.282 4.955) 15.097 6.902 ( 0.565 0.313 3.832) 3.887 9.743 ( 7.993 -1.269 0.704) 8.124 9.875 ( 4.478 22.332 3.735) 23.081 11.066 ( -4.831 -6.246 -12.817) 15.054 11.386 ( 2.574 6.109 -2.506) 7.087 13.542 ( -23.324 -21.079 3.812) 31.668 15.582 ( 8.232 0.156 -0.487) 8.248======================= Grid point 1429 (462/580) =======================q-point: ( 0.67 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.845 ( 3.894 0.562 -7.785) 8.723 3.816 ( 0.296 19.694 -0.295) 19.698 4.612 ( 1.817 10.696 0.781) 10.877 5.573 ( 6.759 7.256 -9.925) 14.030 6.286 ( 7.403 3.891 4.942) 9.714 6.956 ( 3.361 -0.007 6.433) 7.258 9.919 ( 13.396 0.418 -1.765) 13.518 10.130 ( -1.636 22.718 3.391) 23.028 10.896 ( -3.747 -5.279 -7.817) 10.149 11.505 ( 3.345 8.806 -3.649) 10.102 12.966 ( -23.661 -17.391 3.099) 29.528 15.713 ( 9.257 -4.254 0.612) 10.206======================= Grid point 1430 (463/580) =======================q-point: ( 0.72 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( 2.287 -0.162 -9.186) 9.468 3.962 ( -4.582 17.982 -0.406) 18.561 4.728 ( -1.611 11.980 1.488) 12.179 5.674 ( 4.011 2.957 -10.726) 11.827 6.410 ( 3.483 0.531 4.281) 5.544 7.039 ( 3.941 -1.814 8.302) 9.367 10.162 ( 14.567 0.989 -3.595) 15.037 10.269 ( -7.502 19.668 1.499) 21.104 10.814 ( 0.398 -0.567 -3.857) 3.918 11.613 ( 0.772 7.612 -3.457) 8.396 12.480 ( -18.070 -11.093 4.052) 21.587 15.804 ( 8.319 -7.738 0.132) 11.362======================= Grid point 1431 (464/580) =======================q-point: (-0.22 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.859 ( 0.622 -0.504 -9.208) 9.243 4.005 ( -9.480 15.604 -0.649) 18.269 4.796 ( -5.158 12.391 1.757) 13.536 5.698 ( 1.738 -0.380 -10.985) 11.128 6.461 ( 1.991 -1.305 3.768) 4.457 7.083 ( 0.907 -4.534 9.029) 10.144 10.236 ( -12.637 12.117 0.948) 17.533 10.362 ( 6.998 -2.048 -5.356) 9.047 10.881 ( 4.474 8.407 -3.302) 10.079 11.655 ( -0.012 3.918 -2.566) 4.684 12.220 ( -6.788 -2.264 5.367) 8.945 15.848 ( 7.203 -9.446 -0.322) 11.883======================= Grid point 1442 (465/580) =======================q-point: ( 0.39 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( -0.000 22.292 7.325) 23.465 2.258 ( -0.000 4.449 17.404) 17.964 3.388 ( 0.000 40.481 -3.430) 40.626 4.098 ( 0.000 5.998 -2.402) 6.462 4.710 ( 0.000 25.481 2.996) 25.657 7.108 ( 0.000 -4.287 -2.201) 4.819 8.576 ( -0.000 14.630 1.828) 14.743 9.942 ( -0.000 -11.517 9.389) 14.859 11.251 ( 0.000 14.071 -25.539) 29.158 11.461 ( 0.000 -5.276 -1.210) 5.413 14.664 ( -0.000 -13.725 12.751) 18.734 15.715 ( 0.000 4.217 -16.226) 16.765======================= Grid point 1443 (466/580) =======================q-point: ( 0.44 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.290 ( 7.278 17.170 5.777) 19.523 2.396 ( 6.997 8.372 12.312) 16.451 3.782 ( 3.808 33.483 -4.657) 34.019 4.204 ( 6.215 9.553 -1.786) 11.536 5.013 ( 4.481 26.010 3.251) 26.592 7.049 ( -1.751 -2.859 -2.443) 4.148 8.798 ( 7.473 16.837 2.017) 18.531 9.843 ( -1.679 -12.516 9.879) 16.034 11.230 ( -3.977 5.261 -17.503) 18.704 11.455 ( 3.359 -0.911 -6.569) 7.434 14.556 ( -0.899 -16.856 14.412) 22.196 15.669 ( -3.639 3.662 -16.679) 17.460======================= Grid point 1444 (467/580) =======================q-point: ( 0.50 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.469 ( 4.005 5.290 5.376) 8.539 2.802 ( 15.925 19.013 5.369) 25.375 4.069 ( 3.496 17.868 -4.687) 18.800 4.514 ( 13.487 19.390 -1.491) 23.666 5.361 ( 6.803 23.519 2.769) 24.639 6.985 ( -2.353 -1.520 -1.770) 3.313 9.151 ( 12.225 19.747 2.314) 23.340 9.726 ( -2.922 -9.000 7.624) 12.152 11.154 ( -1.128 -0.519 -12.370) 12.432 11.458 ( 0.395 -1.091 -7.526) 7.615 14.391 ( -3.256 -21.470 14.135) 25.911 15.567 ( -6.145 4.760 -14.678) 16.609======================= Grid point 1445 (468/580) =======================q-point: ( 0.56 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.597 ( 4.761 3.537 1.306) 6.073 3.261 ( 14.182 20.148 2.913) 24.811 4.264 ( 5.101 11.970 -3.403) 13.450 4.937 ( 14.251 18.689 -2.411) 23.626 5.697 ( 7.791 18.568 2.254) 20.262 6.936 ( -1.943 -0.260 -0.087) 1.962 9.579 ( 12.511 22.118 2.166) 25.503 9.643 ( -0.925 -4.069 5.179) 6.651 11.099 ( 1.159 -3.162 -12.288) 12.741 11.405 ( -2.073 -0.886 -4.117) 4.694 14.104 ( -9.423 -25.042 9.894) 28.527 15.490 ( -3.327 4.994 -8.687) 10.559======================= Grid point 1446 (469/580) =======================q-point: ( 0.61 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.700 ( 4.441 2.023 -2.146) 5.331 3.671 ( 9.603 21.585 1.268) 23.658 4.456 ( 6.042 10.536 -1.927) 12.297 5.298 ( 10.690 14.161 -4.242) 18.243 5.988 ( 8.203 12.153 2.751) 14.918 6.917 ( -0.761 0.385 1.973) 2.149 9.636 ( 3.171 -1.310 0.827) 3.530 10.010 ( 9.161 24.456 4.459) 26.493 11.020 ( -1.352 -5.231 -11.900) 13.070 11.394 ( 1.347 3.758 -1.885) 4.415 13.670 ( -16.240 -24.366 4.997) 29.706 15.493 ( 1.895 1.314 -2.696) 3.548======================= Grid point 1447 (470/580) =======================q-point: ( 0.67 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.769 ( 3.476 0.957 -4.635) 5.872 3.998 ( 3.596 22.559 0.213) 22.845 4.654 ( 5.726 10.643 -0.283) 12.089 5.528 ( 5.419 9.664 -6.623) 12.909 6.219 ( 7.397 5.928 3.744) 10.192 6.930 ( 1.227 -0.469 3.954) 4.166 9.729 ( 8.536 0.638 -1.746) 8.736 10.373 ( 3.418 25.219 5.294) 25.994 10.888 ( -3.944 -4.667 -7.873) 9.966 11.504 ( 5.025 7.983 -3.276) 9.985 13.158 ( -19.622 -20.587 2.507) 28.550 15.540 ( 5.517 -4.254 0.064) 6.967======================= Grid point 1448 (471/580) =======================q-point: ( 0.72 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( 2.318 0.535 -6.102) 6.549 4.221 ( -2.690 21.942 -0.477) 22.111 4.845 ( 3.473 12.292 1.428) 12.853 5.631 ( 1.611 5.394 -8.425) 10.132 6.364 ( 4.384 1.059 3.445) 5.675 6.974 ( 3.624 -2.776 6.026) 7.560 9.913 ( 12.892 1.383 -3.719) 13.489 10.617 ( -7.028 21.711 0.530) 22.826 10.798 ( 1.634 1.279 0.721) 2.196 11.648 ( 2.783 8.305 -4.046) 9.648 12.672 ( -17.944 -14.458 1.834) 23.117 15.584 ( 7.240 -9.161 0.418) 11.684======================= Grid point 1449 (472/580) =======================q-point: ( 0.78 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.818 ( 1.089 0.631 -6.551) 6.671 4.326 ( -8.357 19.591 -0.960) 21.321 5.004 ( -1.437 14.910 2.769) 15.233 5.641 ( 0.038 0.737 -9.575) 9.604 6.420 ( 2.281 -1.922 2.558) 3.929 7.022 ( 3.602 -5.637 7.438) 10.004 10.138 ( 13.661 0.872 -5.478) 14.744 10.535 ( -11.930 5.023 -2.857) 13.256 10.999 ( 2.099 20.882 5.731) 21.756 11.685 ( -2.775 1.376 -2.949) 4.277 12.343 ( -9.946 -4.785 1.307) 11.114 15.610 ( 8.083 -11.890 -0.004) 14.378======================= Grid point 1461 (473/580) =======================q-point: ( 0.44 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.423 ( -0.000 3.447 9.829) 10.416 2.441 ( -0.000 21.560 5.403) 22.226 4.083 ( 0.000 33.687 -3.619) 33.881 4.202 ( 0.000 6.365 -2.415) 6.807 5.254 ( 0.000 27.976 2.689) 28.105 7.030 ( 0.000 -2.114 -2.628) 3.373 8.902 ( 0.000 17.404 2.032) 17.522 9.784 ( -0.000 -9.690 10.278) 14.126 11.277 ( 0.000 3.964 -20.238) 20.623 11.356 ( 0.000 -4.469 -1.340) 4.666 14.434 ( -0.000 -20.228 14.383) 24.820 15.689 ( 0.000 5.304 -16.064) 16.917======================= Grid point 1462 (474/580) =======================q-point: ( 0.50 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( 1.243 3.840 5.987) 7.221 2.763 ( 11.362 19.316 4.902) 22.939 4.215 ( -2.240 13.031 -3.285) 13.625 4.489 ( 10.693 22.222 -1.540) 24.709 5.545 ( 1.928 26.391 1.331) 26.494 6.996 ( -1.196 -0.946 -2.265) 2.730 9.157 ( 8.949 18.407 1.989) 20.563 9.724 ( -2.108 -5.745 8.689) 10.628 11.160 ( -4.858 -1.568 -11.853) 12.905 11.374 ( 4.124 -2.821 -5.744) 7.613 14.257 ( -1.518 -24.032 13.242) 27.480 15.660 ( -3.987 6.490 -14.061) 15.991======================= Grid point 1463 (475/580) =======================q-point: ( 0.56 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.574 ( 2.729 3.010 2.982) 5.040 3.194 ( 16.099 18.135 3.584) 24.513 4.320 ( 1.751 11.938 -3.324) 12.515 4.876 ( 12.366 17.781 -0.217) 21.660 5.820 ( 2.406 22.102 -0.158) 22.233 6.964 ( -1.510 0.468 -1.170) 1.967 9.553 ( 14.554 19.327 1.427) 24.237 9.668 ( -2.620 -1.119 6.098) 6.731 11.040 ( -2.209 -3.591 -9.120) 10.047 11.380 ( 1.725 -1.761 -4.140) 4.819 14.000 ( -4.646 -27.062 10.181) 29.285 15.597 ( -5.881 6.548 -9.918) 13.260======================= Grid point 1464 (476/580) =======================q-point: ( 0.61 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( 3.104 2.023 0.614) 3.756 3.653 ( 16.068 18.211 2.333) 24.398 4.474 ( 3.943 11.930 -2.950) 12.906 5.227 ( 11.843 12.413 0.095) 17.157 6.042 ( 2.423 15.940 -0.656) 16.136 6.947 ( -1.404 1.369 0.158) 1.968 9.626 ( -1.671 1.180 1.511) 2.543 10.038 ( 16.018 21.493 3.236) 27.000 10.950 ( -0.633 -4.650 -7.889) 9.180 11.393 ( 1.628 2.160 -2.124) 3.439 13.649 ( -9.129 -27.296 6.156) 29.433 15.532 ( -4.771 3.894 -4.958) 7.906======================= Grid point 1465 (477/580) =======================q-point: ( 0.67 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.718 ( 2.722 1.319 -1.217) 3.260 4.082 ( 12.293 19.682 1.324) 23.243 4.655 ( 5.162 11.227 -1.963) 12.512 5.497 ( 8.192 8.659 -1.313) 11.992 6.207 ( 3.034 9.023 0.556) 9.536 6.938 ( -1.186 0.484 1.226) 1.773 9.650 ( 2.293 3.002 -0.870) 3.876 10.497 ( 11.524 21.054 5.580) 24.641 10.872 ( -1.238 -2.674 -7.655) 8.202 11.481 ( 4.724 6.695 -1.768) 8.382 13.226 ( -13.031 -24.231 3.015) 27.677 15.478 ( -2.025 -1.314 -1.404) 2.793======================= Grid point 1466 (478/580) =======================q-point: ( 0.72 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.763 ( 2.012 1.140 -2.556) 3.447 4.431 ( 4.511 21.764 0.123) 22.227 4.852 ( 7.131 9.604 -0.025) 11.961 5.652 ( 2.227 6.993 -3.800) 8.264 6.321 ( 3.212 2.462 1.849) 4.449 6.926 ( 0.266 -2.485 2.610) 3.614 9.758 ( 7.114 4.092 -2.203) 8.498 10.777 ( 0.128 -1.888 0.601) 1.985 10.880 ( 2.603 21.204 0.845) 21.380 11.651 ( 5.795 9.721 -2.991) 11.706 12.792 ( -14.213 -18.344 1.228) 23.238 15.427 ( 1.116 -7.145 0.067) 7.231======================= Grid point 1467 (479/580) =======================q-point: ( 0.78 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( 1.220 1.457 -3.378) 3.876 4.633 ( -4.768 20.849 -1.134) 21.417 5.083 ( 8.312 10.118 2.350) 13.304 5.681 ( -3.941 5.434 -5.929) 8.956 6.369 ( 2.015 -2.290 1.310) 3.319 6.923 ( 2.937 -6.257 4.670) 8.342 9.941 ( 10.429 4.336 -3.253) 11.754 10.703 ( -6.296 1.343 -3.915) 7.534 11.154 ( 5.363 16.407 8.056) 19.049 11.774 ( -2.594 8.467 -3.160) 9.402 12.449 ( -9.919 -8.767 -0.399) 13.244 15.383 ( 4.461 -11.280 0.211) 12.132======================= Grid point 1480 (480/580) =======================q-point: ( 0.50 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.532 ( -0.000 2.608 5.576) 6.156 2.865 ( -0.000 18.970 3.941) 19.375 4.307 ( 0.000 6.076 -2.299) 6.496 4.636 ( 0.000 25.224 -0.640) 25.232 5.785 ( 0.000 25.202 -0.460) 25.206 6.993 ( 0.000 0.167 -2.399) 2.405 9.254 ( 0.000 17.085 1.739) 17.173 9.738 ( -0.000 -1.456 8.299) 8.425 11.149 ( 0.000 -4.525 -13.182) 13.938 11.283 ( 0.000 -1.918 -1.096) 2.209 14.067 ( -0.000 -26.675 11.428) 29.020 15.719 ( 0.000 7.652 -12.205) 14.406======================= Grid point 1481 (481/580) =======================q-point: ( 0.56 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.581 ( 1.069 2.320 4.372) 5.064 3.143 ( 10.442 16.835 3.243) 20.074 4.374 ( 2.031 7.346 -2.487) 8.017 4.905 ( 5.434 19.293 1.327) 20.088 6.009 ( 0.237 21.248 -2.183) 21.361 6.988 ( -0.746 1.821 -2.019) 2.820 9.509 ( 10.561 16.308 1.214) 19.467 9.744 ( -2.860 2.437 6.161) 7.217 11.021 ( -3.238 -5.470 -7.756) 10.028 11.306 ( 3.447 -0.545 -2.142) 4.095 13.818 ( -2.032 -28.666 8.710) 30.029 15.722 ( -4.163 7.679 -9.163) 12.660======================= Grid point 1482 (482/580) =======================q-point: ( 0.61 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( 1.770 1.883 3.308) 4.198 3.537 ( 16.531 15.022 2.413) 22.467 4.503 ( 4.646 9.366 -2.734) 10.807 5.180 ( 7.847 12.727 2.920) 15.234 6.179 ( -0.313 15.715 -3.084) 16.017 6.990 ( -1.310 3.231 -1.518) 3.803 9.719 ( -4.578 5.340 2.316) 7.405 9.927 ( 18.299 15.737 1.364) 24.174 10.906 ( -1.905 -5.156 -3.894) 6.736 11.366 ( 3.433 2.608 -1.489) 4.561 13.508 ( -4.569 -28.946 5.598) 29.834 15.669 ( -7.061 5.986 -5.566) 10.802======================= Grid point 1483 (483/580) =======================q-point: ( 0.67 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.695 ( 1.827 1.527 2.277) 3.295 3.981 ( 18.516 14.153 1.741) 23.371 4.680 ( 5.251 11.272 -2.679) 12.721 5.425 ( 8.574 7.074 3.391) 11.621 6.283 ( -0.694 9.905 -2.498) 10.239 6.986 ( -2.474 2.901 -1.409) 4.065 9.707 ( -3.551 6.548 0.436) 7.462 10.416 ( 20.100 15.026 1.883) 25.167 10.835 ( -0.284 -2.829 -3.511) 4.518 11.469 ( 4.153 6.397 -0.011) 7.626 13.154 ( -7.055 -26.770 2.941) 27.840 15.568 ( -8.113 2.355 -2.502) 8.811======================= Grid point 1484 (484/580) =======================q-point: ( 0.72 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.744 ( 1.495 1.498 1.151) 2.409 4.425 ( 17.128 14.338 1.260) 22.373 4.862 ( 3.767 11.805 -1.998) 12.551 5.621 ( 7.248 3.964 2.234) 8.558 6.334 ( -0.616 4.266 -0.890) 4.401 6.946 ( -3.635 0.181 -1.288) 3.861 9.747 ( 0.436 7.549 -0.038) 7.562 10.743 ( 3.440 -2.175 5.518) 6.857 10.928 ( 11.372 15.502 -6.836) 20.405 11.632 ( 6.449 8.913 0.699) 11.023 12.792 ( -8.474 -21.636 1.238) 23.269 15.431 ( -7.227 -2.546 -0.677) 7.692======================= Grid point 1485 (485/580) =======================q-point: ( 0.78 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.783 ( 1.067 1.848 -0.000) 2.134 4.817 ( 9.895 17.139 -0.000) 19.791 5.014 ( 4.370 7.568 -0.000) 8.739 5.752 ( 2.725 4.719 -0.000) 5.449 6.337 ( -0.738 -1.277 -0.000) 1.475 6.870 ( -2.383 -4.127 -0.000) 4.766 9.867 ( 4.665 8.080 -0.000) 9.330 10.755 ( 0.060 0.104 -0.000) 0.120 11.195 ( 5.230 9.059 -0.000) 10.460 11.845 ( 6.201 10.741 -0.000) 12.403 12.491 ( -7.156 -12.394 -0.000) 14.311 15.285 ( -4.054 -7.021 -0.000) 8.107======================= Grid point 1500 (486/580) =======================q-point: ( 0.56 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.610 ( -0.000 1.910 5.372) 5.702 3.217 ( -0.000 14.994 2.633) 15.223 4.402 ( 0.000 5.241 -2.067) 5.634 5.052 ( -0.000 17.376 2.944) 17.623 6.187 ( 0.000 17.478 -3.720) 17.870 7.012 ( 0.000 3.727 -2.521) 4.500 9.561 ( 0.000 13.348 0.835) 13.374 9.835 ( -0.000 6.449 5.333) 8.369 10.965 ( 0.000 -6.945 -5.944) 9.141 11.276 ( 0.000 1.700 -0.288) 1.724 13.578 ( -0.000 -29.592 6.262) 30.247 15.807 ( 0.000 7.843 -7.157) 10.618======================= Grid point 1501 (487/580) =======================q-point: ( 0.61 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.652 ( 0.656 1.738 5.875) 6.161 3.446 ( 10.225 12.605 2.004) 16.354 4.483 ( 4.555 5.607 -2.114) 7.527 5.236 ( 2.493 12.996 4.614) 14.014 6.313 ( -0.649 12.530 -4.436) 13.308 7.042 ( -0.774 5.314 -2.924) 6.115 9.783 ( 11.882 11.443 -0.027) 16.496 9.889 ( -4.149 8.895 3.327) 10.364 10.873 ( -1.309 -5.933 -1.804) 6.338 11.332 ( 3.450 3.695 -0.025) 5.055 13.294 ( -1.875 -29.250 3.564) 29.526 15.818 ( -4.831 6.788 -4.641) 9.537======================= Grid point 1502 (488/580) =======================q-point: ( 0.67 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.702 ( 0.892 1.612 5.736) 6.025 3.797 ( 17.193 10.439 1.472) 20.168 4.646 ( 8.246 7.204 -2.364) 11.202 5.408 ( 3.766 7.971 5.980) 10.653 6.379 ( -1.425 7.903 -4.025) 8.982 7.059 ( -2.306 5.178 -3.610) 6.721 9.885 ( -7.051 10.339 1.550) 12.610 10.175 ( 21.325 9.458 -0.597) 23.336 10.807 ( -0.545 -3.580 0.335) 3.637 11.455 ( 5.098 6.111 1.122) 8.037 12.984 ( -3.402 -27.116 1.304) 27.359 15.744 ( -9.053 4.499 -2.368) 10.383======================= Grid point 1503 (489/580) =======================q-point: ( 0.72 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 0.806 1.595 4.848) 5.167 4.212 ( 20.394 8.574 1.207) 22.155 4.866 ( 8.784 9.663 -2.625) 13.320 5.554 ( 4.853 3.068 6.635) 8.775 6.395 ( -2.064 3.983 -2.742) 5.258 7.027 ( -4.838 2.942 -4.437) 7.194 9.883 ( -5.386 10.816 1.984) 12.244 10.599 ( 16.457 0.682 3.443) 16.827 10.832 ( 7.660 7.175 -5.323) 11.768 11.613 ( 5.469 6.208 2.804) 8.736 12.681 ( -3.962 -22.365 0.085) 22.713 15.591 ( -11.785 1.317 -0.869) 11.891======================= Grid point 1520 (490/580) =======================q-point: ( 0.61 0.61 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( -0.000 1.675 7.908) 8.083 3.473 ( -0.000 10.079 1.462) 10.184 4.478 ( 0.000 4.006 -1.781) 4.384 5.354 ( -0.000 10.968 6.061) 12.531 6.406 ( 0.000 8.706 -4.966) 10.023 7.095 ( 0.000 6.444 -4.089) 7.632 9.767 ( 0.000 7.771 -0.426) 7.782 10.046 ( -0.000 12.312 2.684) 12.602 10.824 ( -0.000 -5.461 0.739) 5.511 11.339 ( -0.000 4.324 0.891) 4.415 13.039 ( -0.000 -28.094 0.979) 28.111 15.912 ( 0.000 6.311 -3.016) 6.995======================= Grid point 1521 (491/580) =======================q-point: ( 0.67 0.61 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.734 ( 0.155 1.608 8.802) 8.949 3.651 ( 10.363 7.494 1.010) 12.829 4.562 ( 6.249 3.902 -1.774) 7.578 5.476 ( 0.767 7.850 7.453) 10.851 6.449 ( -0.937 5.514 -4.732) 7.326 7.129 ( -1.338 5.749 -5.234) 7.889 9.941 ( 13.381 5.380 -1.138) 14.467 10.125 ( -6.247 13.429 1.896) 14.932 10.783 ( -0.195 -3.681 3.248) 4.913 11.429 ( 4.612 5.127 1.651) 7.091 12.768 ( -1.314 -25.232 -1.354) 25.302 15.912 ( -5.673 4.845 -1.436) 7.597======================= Grid point 1523 (492/580) =======================q-point: (-0.28 -0.39 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.780 ( 0.046 1.439 8.263) 8.388 3.955 ( 17.802 5.087 0.823) 18.533 4.746 ( 11.415 4.659 -2.044) 12.497 5.575 ( 0.752 4.383 8.680) 9.753 6.452 ( -1.880 2.992 -3.867) 5.238 7.114 ( -3.686 3.391 -6.456) 8.171 10.127 ( -8.007 12.476 3.047) 15.134 10.282 ( 20.680 2.196 -0.970) 20.819 10.785 ( 2.440 0.899 1.816) 3.171 11.581 ( 5.868 4.597 2.818) 7.969 12.514 ( -1.533 -20.076 -2.612) 20.303 15.806 ( -10.871 2.831 -0.388) 11.241======================= Grid point 1541 (493/580) =======================q-point: (-0.33 -0.33 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.782 ( -0.000 1.475 10.757) 10.857 3.623 ( -0.000 4.672 0.579) 4.708 4.530 ( 0.000 2.508 -1.522) 2.934 5.567 ( -0.000 6.194 8.781) 10.746 6.485 ( 0.000 3.658 -4.914) 6.126 7.171 ( 0.000 4.398 -6.540) 7.882 9.859 ( 0.000 2.709 -1.451) 3.073 10.323 ( 0.000 13.605 1.266) 13.664 10.773 ( -0.000 -1.861 6.769) 7.020 11.433 ( -0.000 3.868 1.860) 4.292 12.543 ( 0.000 -21.129 -4.136) 21.530 16.001 ( 0.000 3.996 -0.414) 4.018======================= Grid point 1542 (494/580) =======================q-point: (-0.28 -0.33 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.828 ( -0.431 1.039 10.887) 10.944 3.748 ( 10.665 2.042 0.418) 10.866 4.608 ( 7.291 2.014 -1.501) 7.712 5.647 ( -0.231 3.938 10.032) 10.779 6.488 ( -1.097 2.199 -4.601) 5.217 7.162 ( -1.881 1.685 -7.838) 8.235 9.985 ( 13.231 0.343 -1.773) 13.353 10.384 ( -5.635 8.845 2.276) 10.731 10.794 ( -0.949 2.982 7.431) 8.063 11.528 ( 5.760 3.225 2.615) 7.101 12.344 ( -0.548 -14.878 -6.083) 16.083 15.980 ( -6.298 2.631 0.223) 6.829======================= Grid point 1561 (495/580) =======================q-point: (-0.28 -0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( -0.000 0.323 12.003) 12.007 3.662 ( -0.000 -0.865 0.170) 0.882 4.553 ( 0.000 0.845 -1.367) 1.607 5.717 ( -0.000 2.296 11.295) 11.526 6.499 ( 0.000 1.499 -4.876) 5.101 7.152 ( 0.000 -1.264 -9.087) 9.174 9.860 ( 0.000 -1.303 -1.900) 2.303 10.449 ( -0.000 -4.363 2.080) 4.833 10.942 ( -0.000 14.619 11.357) 18.512 11.495 ( -0.000 0.841 2.264) 2.416 12.215 ( 0.000 -7.217 -8.982) 11.523 16.057 ( -0.000 1.711 0.503) 1.783======================= Grid point 1734 (496/580) =======================q-point: ( 0.28 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.062 ( -0.000 0.000 15.993) 15.993 1.062 ( -0.000 0.000 15.993) 15.993 2.027 ( -0.000 0.000 32.004) 32.004 3.892 ( 0.000 -0.000 -2.412) 2.412 3.892 ( 0.000 -0.000 -2.412) 2.412 8.146 ( -0.000 0.000 0.873) 0.873 8.146 ( -0.000 0.000 0.873) 0.873 8.164 ( 0.000 -0.000 -11.866) 11.866 11.651 ( 0.000 -0.000 -0.697) 0.697 11.651 ( 0.000 -0.000 -0.697) 0.697 14.969 ( -0.000 0.000 4.658) 4.658 15.322 ( 0.000 -0.000 -2.607) 2.607======================= Grid point 1735 (497/580) =======================q-point: ( 0.33 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( 14.871 8.586 11.523) 20.680 1.428 ( 26.004 15.013 13.643) 32.981 2.181 ( 5.903 3.408 25.762) 26.648 3.883 ( 1.006 0.581 -2.211) 2.498 4.017 ( 10.553 6.093 -1.906) 12.333 7.498 ( -18.365 -10.603 0.217) 21.208 8.214 ( 5.178 2.990 0.787) 6.031 9.176 ( 48.988 28.283 -16.729) 58.989 11.410 ( -18.571 -10.722 -1.564) 21.501 11.613 ( -2.752 -1.589 -0.620) 3.237 14.951 ( -3.189 -1.841 6.113) 7.136 15.476 ( 11.698 6.754 -8.497) 15.958======================= Grid point 1736 (498/580) =======================q-point: ( 0.39 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 18.894 10.908 6.641) 22.805 1.985 ( 14.330 8.273 17.995) 24.446 2.591 ( 28.368 16.378 8.771) 33.911 3.921 ( 2.940 1.697 -1.656) 3.777 4.327 ( 17.117 9.882 -0.392) 19.769 7.220 ( -8.414 -4.858 -1.073) 9.775 8.379 ( 9.316 5.379 0.753) 10.783 10.021 ( 25.303 14.609 -7.308) 30.118 11.019 ( -8.419 -4.860 -12.472) 15.813 11.530 ( -4.324 -2.496 -0.545) 5.022 14.881 ( -4.949 -2.857 8.941) 10.611 15.634 ( 4.163 2.403 -14.078) 14.876======================= Grid point 1737 (499/580) =======================q-point: ( 0.44 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.197 ( 19.288 11.136 2.938) 22.465 2.257 ( 7.912 4.568 13.837) 16.581 3.374 ( 36.985 21.354 0.523) 42.710 4.000 ( 4.464 2.577 -0.858) 5.225 4.751 ( 20.259 11.697 1.443) 23.438 7.068 ( -5.323 -3.073 -1.875) 6.427 8.629 ( 12.687 7.325 0.819) 14.672 10.108 ( -10.764 -6.214 8.338) 14.967 11.122 ( 16.826 9.715 -25.108) 31.748 11.426 ( -4.613 -2.663 -0.539) 5.354 14.808 ( -5.045 -2.913 13.368) 14.582 15.556 ( -5.462 -3.153 -16.717) 17.867======================= Grid point 1738 (500/580) =======================q-point: ( 0.50 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( 8.295 4.789 6.105) 11.358 2.618 ( 17.728 10.235 0.492) 20.477 4.109 ( 5.308 3.065 -0.016) 6.129 4.161 ( 33.208 19.173 -3.310) 38.488 5.216 ( 20.408 11.782 3.128) 23.771 6.962 ( -3.750 -2.165 -1.059) 4.458 8.938 ( 14.508 8.376 1.019) 16.784 9.890 ( -8.794 -5.077 6.820) 12.232 11.325 ( 6.836 3.946 -21.489) 22.892 11.332 ( -3.364 -1.942 -0.690) 3.945 14.682 ( -13.317 -7.689 13.997) 20.794 15.385 ( -1.679 -0.969 -14.042) 14.175======================= Grid point 1739 (501/580) =======================q-point: ( 0.56 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.660 ( 7.653 4.418 -0.798) 8.873 2.983 ( 15.070 8.701 -0.766) 17.419 4.230 ( 5.361 3.095 0.676) 6.227 4.804 ( 25.710 14.844 -6.600) 30.412 5.662 ( 18.106 10.453 4.551) 21.396 6.899 ( -1.698 -0.980 1.218) 2.308 9.264 ( 13.907 8.029 1.328) 16.113 9.796 ( -1.285 -0.742 4.731) 4.958 11.282 ( -0.728 -0.420 -1.048) 1.344 11.291 ( -2.887 -1.667 -18.093) 18.397 14.260 ( -25.893 -14.949 5.478) 30.397 15.450 ( 8.510 4.913 -3.006) 10.276======================= Grid point 1740 (502/580) =======================q-point: ( 0.61 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.798 ( 5.760 3.326 -6.177) 9.077 3.280 ( 11.775 6.798 -1.065) 13.638 4.347 ( 4.721 2.726 1.137) 5.569 5.256 ( 17.343 10.013 -9.277) 22.071 6.037 ( 13.631 7.870 5.545) 16.687 6.902 ( 1.310 0.756 4.163) 4.429 9.547 ( 10.731 6.196 1.638) 12.499 9.862 ( 5.907 3.410 2.624) 7.308 11.124 ( -6.113 -3.529 -14.579) 16.198 11.297 ( 2.418 1.396 -1.534) 3.186 13.645 ( -29.307 -16.920 2.521) 33.934 15.665 ( 9.933 5.735 1.170) 11.530======================= Grid point 1741 (503/580) =======================q-point: ( 0.67 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.874 ( 3.591 2.073 -9.803) 10.644 3.498 ( 8.009 4.624 -0.812) 9.283 4.445 ( 3.614 2.087 1.385) 4.397 5.527 ( 10.485 6.053 -10.687) 16.149 6.295 ( 7.794 4.500 5.667) 10.636 6.983 ( 3.918 2.262 6.800) 8.168 9.743 ( 6.286 3.629 1.809) 7.481 10.063 ( 11.232 6.485 0.506) 12.980 10.956 ( -4.560 -2.633 -11.254) 12.425 11.370 ( 4.276 2.469 -1.950) 5.308 13.016 ( -27.284 -15.752 3.270) 31.674 15.868 ( 7.472 4.314 1.193) 8.710======================= Grid point 1742 (504/580) =======================q-point: ( 0.72 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.897 ( 1.805 1.042 -11.685) 11.870 3.628 ( 3.814 2.202 -0.424) 4.424 4.515 ( 2.243 1.295 1.456) 2.971 5.668 ( 5.784 3.339 -11.105) 12.959 6.433 ( 3.376 1.949 5.275) 6.559 7.095 ( 3.139 1.812 8.441) 9.186 9.842 ( 2.224 1.284 1.849) 3.165 10.334 ( 11.858 6.846 -1.032) 13.731 10.859 ( -0.500 -0.288 -9.961) 9.977 11.454 ( 3.489 2.015 -2.181) 4.582 12.493 ( -20.017 -11.557 5.834) 23.839 15.998 ( 4.073 2.351 0.131) 4.704======================= Grid point 1753 (505/580) =======================q-point: ( 0.33 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( -0.000 10.628 13.444) 17.138 1.594 ( -0.000 33.190 11.731) 35.202 2.260 ( -0.000 4.584 23.374) 23.819 3.919 ( 0.000 3.287 -2.462) 4.107 3.970 ( 0.000 10.607 -1.384) 10.696 7.504 ( -0.000 -20.929 -0.497) 20.935 8.189 ( -0.000 4.673 1.089) 4.798 9.131 ( 0.000 54.521 -14.388) 56.388 11.410 ( -0.000 -19.597 -2.132) 19.713 11.628 ( 0.000 -2.331 -0.804) 2.466 14.967 ( -0.000 -4.060 6.273) 7.472 15.445 ( 0.000 11.898 -7.790) 14.222======================= Grid point 1754 (506/580) =======================q-point: ( 0.39 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( 17.225 12.998 9.189) 23.454 2.013 ( 6.734 22.716 16.484) 28.864 2.477 ( 10.738 17.537 9.670) 22.724 3.934 ( -0.410 5.282 -1.816) 5.600 4.198 ( 11.013 14.092 -0.380) 17.889 7.277 ( -6.214 -9.816 -1.024) 11.663 8.311 ( 6.340 7.267 0.999) 9.696 9.774 ( 21.611 33.701 -9.997) 41.264 11.100 ( -11.322 -13.902 -7.774) 19.542 11.570 ( -2.984 -2.770 -0.745) 4.139 14.925 ( -1.999 -5.675 8.277) 10.233 15.562 ( 3.745 7.113 -12.056) 14.490======================= Grid point 1755 (507/580) =======================q-point: ( 0.44 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 17.675 14.325 4.530) 23.198 2.276 ( 3.684 7.765 16.384) 18.502 3.065 ( 26.798 28.320 -0.491) 38.992 4.002 ( 1.787 7.433 -0.860) 7.693 4.576 ( 16.165 15.693 1.061) 22.555 7.112 ( -4.931 -4.779 -1.751) 7.086 8.535 ( 9.623 10.642 0.892) 14.375 10.152 ( 1.587 -5.007 7.737) 9.351 10.938 ( 5.650 10.577 -22.836) 25.793 11.483 ( -4.106 -1.813 -0.940) 4.586 14.863 ( -2.201 -6.255 11.820) 13.553 15.558 ( -3.079 -0.080 -15.496) 15.799======================= Grid point 1756 (508/580) =======================q-point: ( 0.50 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.397 ( 9.641 6.325 5.354) 12.713 2.513 ( 10.869 15.422 4.852) 19.481 3.774 ( 27.786 18.148 -3.061) 33.328 4.147 ( 5.157 14.424 -0.128) 15.319 5.025 ( 18.458 15.130 2.457) 23.993 6.998 ( -3.817 -2.729 -1.327) 4.876 8.835 ( 11.525 13.741 0.965) 17.960 9.979 ( -8.108 -11.667 7.972) 16.291 11.139 ( 9.984 6.077 -19.376) 22.628 11.402 ( -4.172 0.985 -2.346) 4.887 14.792 ( -4.829 -10.051 14.971) 18.668 15.396 ( -6.139 -0.585 -16.238) 17.370======================= Grid point 1757 (509/580) =======================q-point: ( 0.56 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( 6.752 3.974 1.388) 7.956 2.885 ( 11.784 17.084 -0.080) 20.754 4.155 ( 9.388 4.308 -0.407) 10.337 4.570 ( 20.166 22.697 -4.416) 30.681 5.481 ( 18.211 13.000 3.741) 22.685 6.925 ( -2.306 -1.269 0.397) 2.662 9.177 ( 11.322 15.743 1.211) 19.429 9.812 ( -3.021 -6.772 5.098) 8.999 11.203 ( 3.048 -1.662 -14.298) 14.713 11.337 ( -4.280 1.353 -3.585) 5.744 14.500 ( -18.711 -17.784 6.849) 26.707 15.364 ( 4.895 4.637 -5.506) 8.705======================= Grid point 1758 (510/580) =======================q-point: ( 0.61 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.714 ( 5.678 2.898 -3.932) 7.490 3.217 ( 8.885 16.049 -1.098) 18.377 4.317 ( 5.044 5.671 0.902) 7.643 5.055 ( 17.097 15.422 -7.509) 24.219 5.893 ( 15.630 9.832 4.956) 19.119 6.906 ( 0.183 0.236 2.806) 2.822 9.505 ( 8.459 16.133 1.511) 18.279 9.790 ( 4.045 -2.324 2.789) 5.435 11.122 ( -3.510 -4.125 -13.849) 14.870 11.297 ( -0.507 2.558 -0.996) 2.792 13.944 ( -26.061 -19.331 1.606) 32.488 15.541 ( 10.271 3.947 1.214) 11.070======================= Grid point 1759 (511/580) =======================q-point: ( 0.67 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( 4.047 1.644 -7.842) 8.977 3.479 ( 5.221 14.517 -1.094) 15.466 4.446 ( 2.698 6.762 1.390) 7.412 5.380 ( 11.333 9.170 -9.237) 17.258 6.210 ( 10.664 5.964 5.562) 13.425 6.958 ( 3.374 1.473 5.131) 6.315 9.765 ( 3.554 15.347 1.764) 15.851 9.913 ( 10.460 0.678 0.616) 10.500 10.961 ( -4.691 -4.451 -9.855) 11.787 11.353 ( 2.384 5.560 -1.960) 6.360 13.317 ( -26.917 -17.922 1.379) 32.368 15.748 ( 10.109 1.081 2.041) 10.369======================= Grid point 1760 (512/580) =======================q-point: ( 0.72 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.831 ( 2.455 0.716 -10.130) 10.448 3.660 ( 1.032 12.566 -0.728) 12.630 4.545 ( 0.374 7.327 1.559) 7.501 5.564 ( 6.876 4.794 -9.840) 12.926 6.399 ( 5.345 2.359 5.199) 7.821 7.068 ( 4.865 1.327 6.933) 8.574 9.926 ( -2.020 14.031 1.890) 14.301 10.142 ( 14.916 1.896 -1.381) 15.099 10.837 ( -2.336 -2.774 -7.124) 7.994 11.450 ( 2.228 7.046 -2.439) 7.782 12.744 ( -22.851 -14.379 3.245) 27.193 15.900 ( 7.832 -1.933 0.906) 8.118======================= Grid point 1772 (513/580) =======================q-point: ( 0.39 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( -0.000 18.565 9.813) 20.999 2.217 ( -0.000 12.117 20.545) 23.852 2.626 ( 0.000 31.220 0.062) 31.220 3.982 ( 0.000 4.975 -2.570) 5.600 4.272 ( 0.000 20.269 1.254) 20.307 7.225 ( 0.000 -9.251 -1.481) 9.369 8.341 ( -0.000 10.138 1.491) 10.247 9.900 ( 0.000 27.364 -3.106) 27.540 11.037 ( 0.000 -8.961 -13.213) 15.965 11.554 ( 0.000 -4.511 -1.014) 4.623 14.904 ( -0.000 -7.648 9.359) 12.087 15.565 ( 0.000 6.831 -12.619) 14.350======================= Grid point 1773 (514/580) =======================q-point: ( 0.44 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 12.677 18.834 6.864) 23.718 2.357 ( 1.363 3.904 17.094) 17.587 3.062 ( 10.824 37.354 -3.532) 39.051 4.042 ( 1.943 7.055 -1.913) 7.564 4.556 ( 7.801 21.968 2.032) 23.400 7.120 ( -2.710 -5.607 -1.959) 6.529 8.515 ( 6.547 12.870 1.475) 14.515 10.093 ( 2.683 -2.979 9.266) 10.096 10.942 ( -1.393 10.419 -22.403) 24.746 11.497 ( -1.013 -3.778 -1.360) 4.141 14.851 ( -0.719 -9.215 11.932) 15.093 15.558 ( -1.762 2.492 -15.058) 15.365======================= Grid point 1774 (515/580) =======================q-point: ( 0.50 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.334 ( 10.197 12.615 4.176) 16.749 2.519 ( 7.860 10.372 9.656) 16.205 3.607 ( 16.022 27.759 -4.123) 32.316 4.192 ( 5.993 13.027 -0.802) 14.362 4.942 ( 12.163 20.696 2.386) 24.124 7.023 ( -3.021 -3.154 -1.742) 4.702 8.805 ( 10.375 16.357 1.377) 19.419 9.989 ( -5.048 -14.489 9.600) 18.100 11.026 ( 4.378 9.829 -18.541) 21.437 11.448 ( -1.513 -0.701 -2.655) 3.135 14.779 ( -1.515 -12.962 14.749) 19.693 15.448 ( -5.972 1.321 -16.608) 17.699======================= Grid point 1775 (516/580) =======================q-point: ( 0.56 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 5.151 4.404 2.537) 7.236 2.883 ( 11.796 19.682 2.490) 23.081 4.026 ( 12.048 11.965 -2.703) 17.194 4.521 ( 12.814 22.332 -1.945) 25.821 5.359 ( 14.273 17.367 2.752) 22.648 6.951 ( -2.311 -1.475 -0.472) 2.781 9.171 ( 11.376 19.876 1.454) 22.948 9.807 ( -4.176 -10.206 5.712) 12.419 11.088 ( 3.419 0.387 -12.902) 13.353 11.402 ( -3.066 0.307 -3.075) 4.354 14.582 ( -9.844 -20.314 10.216) 24.778 15.355 ( -1.330 5.179 -10.037) 11.372======================= Grid point 1776 (517/580) =======================q-point: ( 0.61 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( 4.671 2.929 -1.587) 5.737 3.258 ( 8.715 21.058 0.006) 22.790 4.272 ( 8.030 7.925 -0.405) 11.290 4.951 ( 13.463 19.746 -4.743) 24.365 5.758 ( 14.448 12.846 3.590) 19.664 6.919 ( -0.701 -0.099 1.458) 1.621 9.555 ( 9.102 21.621 1.395) 23.500 9.718 ( 1.133 -4.847 3.179) 5.906 11.065 ( 0.287 -3.383 -11.631) 12.117 11.344 ( -2.579 1.283 -1.032) 3.060 14.137 ( -19.750 -22.238 2.725) 29.867 15.434 ( 6.310 3.901 -1.003) 7.486======================= Grid point 1777 (518/580) =======================q-point: ( 0.67 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.726 ( 3.636 1.774 -4.993) 6.427 3.573 ( 4.737 21.010 -0.879) 21.555 4.464 ( 5.307 8.823 0.949) 10.340 5.283 ( 9.476 13.161 -6.976) 17.654 6.099 ( 12.210 7.990 4.616) 15.304 6.939 ( 1.827 0.690 3.370) 3.895 9.745 ( 7.396 -1.743 -0.255) 7.603 9.910 ( 4.190 22.685 2.961) 23.258 10.956 ( -3.555 -4.856 -8.550) 10.456 11.367 ( 1.793 5.299 -1.368) 5.759 13.563 ( -23.780 -20.481 0.401) 31.386 15.589 ( 9.141 -0.435 1.913) 9.349======================= Grid point 1778 (519/580) =======================q-point: ( 0.72 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.768 ( 2.374 1.020 -7.229) 7.677 3.810 ( 0.274 19.929 -0.966) 19.955 4.625 ( 2.115 10.606 1.721) 10.951 5.481 ( 5.796 7.311 -8.187) 12.413 6.335 ( 7.452 3.335 4.634) 9.388 7.014 ( 4.622 0.369 5.141) 6.923 9.901 ( 12.875 -0.700 -1.665) 13.001 10.159 ( -2.305 23.172 2.342) 23.404 10.832 ( -2.908 -3.501 -4.558) 6.442 11.474 ( 3.157 8.120 -2.529) 9.072 12.986 ( -22.911 -17.023 0.901) 28.557 15.724 ( 9.032 -4.794 1.566) 10.345======================= Grid point 1791 (520/580) =======================q-point: ( 0.44 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.046 ( -0.000 21.153 7.187) 22.340 2.416 ( -0.000 1.245 13.420) 13.478 3.351 ( 0.000 40.163 -3.609) 40.325 4.072 ( 0.000 6.061 -2.636) 6.609 4.740 ( 0.000 25.977 2.677) 26.114 7.084 ( 0.000 -4.632 -2.292) 5.168 8.595 ( 0.000 14.782 1.789) 14.890 10.052 ( -0.000 -10.700 12.316) 16.315 11.004 ( 0.000 14.774 -23.066) 27.392 11.449 ( 0.000 -5.370 -1.189) 5.500 14.796 ( -0.000 -12.115 13.342) 18.022 15.552 ( 0.000 3.065 -15.926) 16.219======================= Grid point 1792 (521/580) =======================q-point: ( 0.50 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.345 ( 6.899 17.408 5.074) 19.400 2.507 ( 5.650 4.996 9.179) 11.880 3.740 ( 3.262 33.385 -3.334) 33.709 4.185 ( 6.869 9.722 -1.895) 12.054 5.042 ( 4.429 25.929 2.228) 26.398 7.025 ( -1.551 -2.980 -2.253) 4.045 8.817 ( 7.438 17.011 1.695) 18.644 9.949 ( -2.609 -13.594 10.631) 17.454 11.047 ( -1.516 9.894 -17.108) 19.821 11.415 ( 1.782 -3.357 -2.381) 4.485 14.703 ( -0.672 -16.543 14.608) 22.080 15.500 ( -3.579 3.992 -16.523) 17.371======================= Grid point 1793 (522/580) =======================q-point: ( 0.56 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.513 ( 2.757 4.658 3.380) 6.381 2.853 ( 14.693 17.971 4.458) 23.637 4.029 ( 3.617 18.157 -3.107) 18.772 4.502 ( 13.289 19.348 -0.895) 23.490 5.382 ( 7.004 22.894 1.392) 23.982 6.968 ( -1.742 -1.389 -1.433) 2.649 9.170 ( 12.303 19.965 1.457) 23.497 9.800 ( -4.308 -9.866 6.610) 12.633 11.034 ( -0.628 1.605 -10.241) 10.385 11.406 ( 0.586 -1.774 -3.183) 3.691 14.525 ( -4.385 -22.743 11.993) 26.082 15.426 ( -4.339 6.625 -12.714) 14.978======================= Grid point 1794 (523/580) =======================q-point: ( 0.61 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.606 ( 3.160 3.086 0.561) 4.453 3.286 ( 13.077 20.233 1.795) 24.158 4.237 ( 5.817 11.723 -1.824) 13.213 4.917 ( 12.955 19.276 -1.380) 23.266 5.714 ( 8.634 17.623 1.136) 19.657 6.935 ( -0.999 -0.053 -0.013) 1.000 9.591 ( 11.104 19.266 0.643) 22.246 9.693 ( -0.332 -1.590 3.938) 4.260 10.995 ( 0.042 -2.473 -7.540) 7.935 11.377 ( -1.037 -0.662 -1.711) 2.108 14.184 ( -11.817 -25.566 5.520) 28.701 15.419 ( -0.208 5.836 -4.997) 7.686======================= Grid point 1795 (524/580) =======================q-point: ( 0.67 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.679 ( 2.748 2.143 -1.878) 3.959 3.678 ( 8.775 22.023 0.080) 23.707 4.445 ( 6.999 9.978 -0.240) 12.190 5.260 ( 8.607 15.036 -3.124) 17.604 6.013 ( 9.592 11.276 2.168) 14.962 6.934 ( 0.342 0.431 1.407) 1.510 9.641 ( 2.360 -1.955 0.100) 3.067 10.047 ( 9.591 25.135 2.594) 27.028 10.928 ( -1.596 -4.280 -6.057) 7.586 11.380 ( 1.216 3.267 -0.778) 3.571 13.702 ( -17.716 -23.920 1.153) 29.788 15.479 ( 3.854 0.924 0.008) 3.963======================= Grid point 1796 (525/580) =======================q-point: ( 0.72 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.726 ( 1.875 1.572 -3.702) 4.438 3.995 ( 3.160 22.892 -0.855) 23.125 4.659 ( 6.598 10.272 1.327) 12.281 5.468 ( 3.518 10.381 -5.150) 12.110 6.254 ( 8.183 5.165 3.186) 10.188 6.965 ( 2.575 -0.515 2.787) 3.830 9.715 ( 7.837 -0.055 -1.117) 7.917 10.414 ( 2.981 26.182 2.412) 26.462 10.831 ( -2.638 -3.736 -2.882) 5.406 11.478 ( 4.252 7.307 -1.781) 8.640 13.170 ( -19.850 -20.128 -0.252) 28.271 15.548 ( 6.028 -4.865 1.361) 7.865======================= Grid point 1811 (526/580) =======================q-point: ( 0.50 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.496 ( -0.000 20.723 5.337) 21.399 2.508 ( -0.000 1.725 6.548) 6.771 4.058 ( 0.000 34.258 -1.247) 34.281 4.176 ( 0.000 6.470 -2.566) 6.961 5.274 ( 0.000 27.209 1.223) 27.237 7.004 ( 0.000 -2.158 -2.548) 3.339 8.921 ( 0.000 17.426 1.705) 17.509 9.888 ( -0.000 -10.831 9.698) 14.538 11.099 ( 0.000 6.223 -14.373) 15.662 11.343 ( 0.000 -4.473 -1.126) 4.612 14.578 ( -0.000 -20.946 13.981) 25.184 15.527 ( 0.000 6.565 -15.742) 17.056======================= Grid point 1812 (527/580) =======================q-point: ( 0.56 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.542 ( 0.283 3.371 4.141) 5.347 2.812 ( 11.240 18.277 4.479) 21.919 4.186 ( -2.615 13.180 -2.413) 13.652 4.482 ( 10.924 22.983 0.305) 25.449 5.550 ( 1.975 25.227 -0.275) 25.305 6.972 ( -0.827 -0.857 -2.269) 2.562 9.174 ( 8.900 18.346 1.330) 20.434 9.806 ( -3.023 -6.657 6.841) 10.012 11.054 ( -3.316 0.267 -7.876) 8.550 11.337 ( 3.104 -2.930 -2.206) 4.805 14.383 ( -1.959 -25.654 11.458) 28.165 15.523 ( -3.213 8.575 -12.765) 15.710======================= Grid point 1813 (528/580) =======================q-point: ( 0.61 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.602 ( 1.570 3.013 2.554) 4.251 3.228 ( 15.572 17.706 2.856) 23.752 4.292 ( 1.745 11.898 -2.250) 12.234 4.883 ( 11.947 18.772 1.640) 22.312 5.811 ( 2.801 20.854 -1.516) 21.096 6.950 ( -0.805 0.540 -1.463) 1.755 9.563 ( 13.967 18.534 0.491) 23.212 9.720 ( -3.064 -1.177 3.643) 4.903 10.974 ( -2.309 -2.591 -3.241) 4.749 11.351 ( 1.971 -1.413 -1.835) 3.041 14.088 ( -5.885 -28.408 6.982) 29.840 15.507 ( -4.081 8.181 -7.577) 11.874======================= Grid point 1814 (529/580) =======================q-point: ( 0.67 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.663 ( 1.699 2.468 1.244) 3.244 3.672 ( 15.463 18.279 1.319) 23.978 4.452 ( 4.389 11.557 -1.454) 12.448 5.236 ( 10.404 13.645 1.626) 17.236 6.032 ( 3.605 14.879 -1.469) 15.380 6.945 ( -0.535 1.139 -0.658) 1.420 9.637 ( -2.531 0.760 0.729) 2.741 10.058 ( 16.777 21.390 0.515) 27.189 10.903 ( -1.836 -3.893 -1.177) 4.462 11.379 ( 1.953 2.383 -0.606) 3.141 13.694 ( -10.493 -27.652 2.662) 29.695 15.493 ( -2.883 4.343 -2.700) 5.870======================= Grid point 1815 (530/580) =======================q-point: ( 0.72 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.712 ( 1.194 2.068 -0.000) 2.388 4.089 ( 11.604 20.099 -0.000) 23.209 4.645 ( 6.115 10.592 -0.000) 12.230 5.490 ( 5.796 10.039 -0.000) 11.592 6.210 ( 4.689 8.121 -0.000) 9.378 6.945 ( -0.045 -0.079 -0.000) 0.091 9.645 ( 1.621 2.807 -0.000) 3.241 10.529 ( 12.975 22.473 -0.000) 25.949 10.830 ( -2.081 -3.605 -0.000) 4.163 11.472 ( 3.980 6.894 -0.000) 7.961 13.241 ( -13.846 -23.983 -0.000) 27.693 15.471 ( -0.919 -1.592 -0.000) 1.839======================= Grid point 1831 (531/580) =======================q-point: ( 0.56 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.583 ( -0.000 2.444 4.466) 5.091 2.905 ( -0.000 18.270 3.810) 18.663 4.283 ( 0.000 6.215 -2.344) 6.642 4.644 ( 0.000 26.126 2.324) 26.229 5.772 ( 0.000 23.878 -2.008) 23.963 6.967 ( 0.000 0.261 -2.678) 2.691 9.268 ( 0.000 16.915 1.078) 16.950 9.811 ( -0.000 -2.291 5.650) 6.097 11.053 ( 0.000 -3.145 -5.330) 6.189 11.274 ( 0.000 -1.743 -0.610) 1.847 14.173 ( -0.000 -28.635 9.286) 30.103 15.601 ( 0.000 9.950 -10.855) 14.725======================= Grid point 1832 (532/580) =======================q-point: ( 0.61 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.626 ( 0.411 2.797 4.491) 5.306 3.175 ( 10.295 16.231 2.908) 19.439 4.350 ( 1.872 7.440 -2.221) 7.987 4.933 ( 5.410 20.192 4.022) 21.288 5.980 ( 0.368 20.116 -3.461) 20.415 6.964 ( -0.386 1.787 -2.632) 3.205 9.517 ( 10.330 16.001 0.328) 19.048 9.793 ( -3.542 1.788 3.272) 5.143 10.977 ( -2.227 -4.675 -0.597) 5.213 11.293 ( 2.808 0.003 -0.705) 2.895 13.893 ( -2.426 -30.500 6.074) 31.194 15.636 ( -3.466 9.703 -7.561) 12.780======================= Grid point 1833 (533/580) =======================q-point: ( 0.67 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( 0.684 2.687 4.345) 5.154 3.559 ( 16.274 14.699 1.812) 22.004 4.479 ( 4.625 9.273 -1.977) 10.550 5.221 ( 7.384 13.684 5.152) 16.380 6.143 ( 0.227 15.078 -3.981) 15.596 6.969 ( -0.764 2.786 -2.576) 3.871 9.737 ( -5.048 5.230 1.217) 7.370 9.930 ( 17.997 15.166 -0.878) 23.551 10.899 ( -2.057 -4.814 2.526) 5.812 11.359 ( 3.489 3.349 0.078) 4.837 13.551 ( -5.139 -30.173 2.768) 30.732 15.620 ( -6.024 7.237 -4.005) 10.232======================= Grid point 1851 (534/580) =======================q-point: ( 0.61 0.61 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.669 ( -0.000 2.807 6.202) 6.807 3.243 ( -0.000 14.387 2.415) 14.588 4.381 ( 0.000 5.388 -2.025) 5.756 5.097 ( -0.000 18.109 5.791) 19.013 6.144 ( 0.000 16.721 -4.750) 17.383 6.982 ( 0.000 3.485 -3.435) 4.894 9.565 ( 0.000 13.012 -0.042) 13.012 9.875 ( -0.000 5.939 2.272) 6.359 10.943 ( -0.000 -6.139 1.873) 6.418 11.276 ( -0.000 2.055 0.406) 2.095 13.630 ( -0.000 -31.535 3.777) 31.760 15.740 ( 0.000 9.819 -5.843) 11.426======================= Grid point 1853 (535/580) =======================q-point: (-0.33 -0.39 -0.72)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.719 ( -0.000 2.813 7.255) 7.781 3.465 ( 10.148 12.124 1.673) 15.899 4.462 ( 4.430 5.714 -1.889) 7.472 5.296 ( 2.446 13.640 7.220) 15.626 6.264 ( -0.405 12.327 -5.194) 13.383 7.006 ( -0.568 4.690 -4.173) 6.304 9.778 ( 11.680 11.084 -0.907) 16.128 9.911 ( -4.592 8.748 1.050) 9.935 10.887 ( -1.070 -5.598 4.552) 7.294 11.337 ( 3.377 4.276 1.044) 5.548 13.318 ( -1.943 -30.965 1.173) 31.048 15.776 ( -4.481 8.331 -3.537) 10.099======================= Grid point 1872 (536/580) =======================q-point: (-0.33 -0.33 -0.72)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.776 ( -0.000 2.794 9.417) 9.822 3.487 ( -0.000 9.608 1.223) 9.686 4.461 ( 0.000 4.132 -1.698) 4.468 5.429 ( -0.000 11.492 8.659) 14.389 6.352 ( 0.000 8.844 -5.557) 10.445 7.046 ( 0.000 5.669 -5.547) 7.931 9.758 ( 0.000 7.457 -1.205) 7.554 10.063 ( 0.000 12.314 0.665) 12.332 10.863 ( -0.000 -4.892 6.730) 8.320 11.352 ( -0.000 4.666 1.528) 4.910 13.038 ( -0.000 -29.956 -1.157) 29.978 15.885 ( 0.000 7.697 -2.209) 8.008======================= Grid point 2084 (537/580) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( -0.000 0.000 12.695) 12.695 1.208 ( -0.000 0.000 12.695) 12.695 2.322 ( -0.000 0.000 26.022) 26.022 3.868 ( 0.000 -0.000 -2.242) 2.242 3.868 ( 0.000 -0.000 -2.242) 2.242 8.047 ( 0.000 -0.000 -10.968) 10.968 8.154 ( -0.000 0.000 0.776) 0.776 8.154 ( -0.000 0.000 0.776) 0.776 11.645 ( 0.000 -0.000 -0.617) 0.617 11.645 ( 0.000 -0.000 -0.617) 0.617 15.018 ( -0.000 0.000 4.897) 4.897 15.293 ( 0.000 -0.000 -3.116) 3.116======================= Grid point 2085 (538/580) =======================q-point: ( 0.39 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 13.046 7.532 8.257) 17.179 1.556 ( 25.984 15.002 11.589) 32.164 2.415 ( 1.951 1.126 20.220) 20.345 3.864 ( 1.185 0.684 -1.638) 2.134 3.998 ( 11.036 6.372 -1.737) 12.861 7.491 ( -17.826 -10.292 -1.454) 20.635 8.221 ( 5.148 2.972 0.478) 5.964 9.036 ( 46.614 26.912 -11.011) 54.939 11.396 ( -19.779 -11.419 -1.166) 22.869 11.608 ( -2.717 -1.568 -0.406) 3.163 15.015 ( -2.207 -1.274 6.499) 6.981 15.395 ( 8.423 4.863 -7.587) 12.335======================= Grid point 2086 (539/580) =======================q-point: ( 0.44 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 17.431 10.064 3.674) 20.460 2.158 ( 16.410 9.474 16.136) 24.888 2.662 ( 21.769 12.568 4.923) 25.614 3.909 ( 3.187 1.840 -0.749) 3.755 4.323 ( 17.884 10.326 -0.312) 20.653 7.207 ( -8.739 -5.045 -1.387) 10.186 8.384 ( 9.358 5.403 0.263) 10.809 9.954 ( 34.288 19.796 -5.724) 40.004 10.917 ( -17.631 -10.179 -7.818) 21.808 11.526 ( -4.326 -2.497 -0.215) 4.999 14.973 ( -3.378 -1.951 9.236) 10.026 15.499 ( 2.205 1.273 -12.576) 12.831======================= Grid point 2087 (540/580) =======================q-point: ( 0.50 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( 18.378 10.610 0.357) 21.224 2.389 ( 4.706 2.717 12.013) 13.185 3.368 ( 35.638 20.576 -1.658) 41.185 3.997 ( 4.711 2.720 0.212) 5.444 4.765 ( 21.049 12.153 1.226) 24.336 7.052 ( -5.255 -3.034 -1.193) 6.184 8.634 ( 12.816 7.400 0.197) 14.800 10.202 ( -11.522 -6.652 10.230) 16.783 10.882 ( 17.839 10.299 -22.117) 30.224 11.423 ( -4.687 -2.706 -0.122) 5.413 14.946 ( -2.931 -1.692 13.840) 14.248 15.391 ( -6.547 -3.780 -16.005) 17.701======================= Grid point 2088 (541/580) =======================q-point: ( 0.56 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 5.205 3.005 4.439) 7.472 2.612 ( 17.335 10.008 -1.530) 20.075 4.114 ( 5.488 3.168 1.010) 6.416 4.123 ( 31.990 18.469 -4.018) 37.157 5.246 ( 21.161 12.217 2.672) 24.580 6.957 ( -3.139 -1.812 0.090) 3.626 8.945 ( 14.722 8.500 0.307) 17.003 9.955 ( -9.887 -5.708 5.534) 12.687 11.131 ( 7.868 4.543 -16.235) 18.605 11.328 ( -3.543 -2.045 -0.216) 4.097 14.798 ( -17.641 -10.185 7.503) 21.708 15.271 ( 3.855 2.226 -7.087) 8.369======================= Grid point 2089 (542/580) =======================q-point: ( 0.61 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.646 ( 5.117 2.954 -1.850) 6.191 2.968 ( 15.092 8.713 -2.146) 17.558 4.242 ( 5.446 3.144 1.505) 6.466 4.738 ( 24.481 14.134 -6.287) 28.958 5.707 ( 18.790 10.849 4.154) 22.091 6.916 ( -0.715 -0.413 2.073) 2.232 9.273 ( 14.172 8.182 0.571) 16.374 9.836 ( -1.991 -1.150 2.826) 3.643 11.133 ( -2.170 -1.253 -12.547) 12.795 11.274 ( -1.009 -0.582 -0.546) 1.286 14.285 ( -26.971 -15.572 -0.624) 31.150 15.449 ( 10.305 5.949 2.880) 12.242======================= Grid point 2090 (543/580) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.733 ( 3.895 2.249 -6.493) 7.899 3.265 ( 12.036 6.949 -1.879) 14.024 4.362 ( 4.733 2.732 1.710) 5.726 5.168 ( 16.409 9.474 -7.983) 20.560 6.093 ( 13.976 8.069 5.381) 17.011 6.944 ( 2.396 1.384 3.991) 4.856 9.560 ( 10.978 6.338 0.906) 12.709 9.881 ( 5.267 3.041 0.848) 6.141 11.001 ( -5.367 -3.099 -9.255) 11.138 11.284 ( 2.111 1.219 -1.045) 2.652 13.653 ( -28.637 -16.534 -0.846) 33.078 15.691 ( 9.646 5.569 3.799) 11.768======================= Grid point 2103 (544/580) =======================q-point: ( 0.39 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( -0.000 9.829 10.937) 14.705 1.692 ( -0.000 33.739 7.694) 34.605 2.471 ( -0.000 -0.436 17.896) 17.902 3.894 ( 0.000 3.190 -2.371) 3.974 3.959 ( 0.000 11.580 -0.616) 11.596 7.491 ( -0.000 -20.103 -1.892) 20.191 8.200 ( -0.000 4.873 1.067) 4.989 9.011 ( 0.000 52.604 -9.407) 53.439 11.393 ( -0.000 -21.818 -1.333) 21.859 11.620 ( 0.000 -2.443 -0.763) 2.559 15.032 ( -0.000 -2.857 6.612) 7.203 15.369 ( 0.000 8.706 -7.164) 11.274======================= Grid point 2104 (545/580) =======================q-point: ( 0.44 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 14.617 12.744 6.893) 20.581 2.154 ( 9.973 29.551 11.382) 33.200 2.561 ( 6.367 6.371 6.898) 11.345 3.918 ( 0.227 5.089 -1.361) 5.273 4.196 ( 10.915 15.254 0.026) 18.757 7.263 ( -6.252 -10.006 -1.486) 11.892 8.320 ( 5.996 7.613 0.749) 9.720 9.689 ( 23.653 39.093 -6.676) 46.177 11.037 ( -13.542 -20.290 -4.779) 24.858 11.563 ( -2.776 -3.026 -0.544) 4.142 15.010 ( -1.269 -4.254 8.496) 9.585 15.446 ( 2.264 4.968 -10.692) 12.005======================= Grid point 2105 (546/580) =======================q-point: ( 0.50 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 15.646 14.716 2.143) 21.586 2.429 ( 1.117 5.749 13.459) 14.678 3.048 ( 26.960 26.454 -2.797) 37.875 3.996 ( 2.344 7.356 -0.179) 7.722 4.586 ( 16.418 16.564 0.852) 23.338 7.096 ( -4.838 -4.942 -1.279) 7.033 8.542 ( 9.409 11.042 0.376) 14.513 10.244 ( 5.879 0.197 10.572) 12.098 10.719 ( 1.533 5.998 -20.299) 21.222 11.477 ( -3.998 -2.413 -0.367) 4.684 14.985 ( -0.584 -4.358 12.108) 12.882 15.407 ( -4.393 -1.634 -14.373) 15.118======================= Grid point 2106 (547/580) =======================q-point: ( 0.56 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.428 ( 11.402 8.728 1.009) 14.395 2.562 ( 5.173 11.548 4.333) 13.375 3.743 ( 27.962 17.830 -2.812) 33.282 4.147 ( 4.952 13.668 0.286) 14.540 5.046 ( 18.970 15.707 1.756) 24.691 6.990 ( -3.293 -2.640 -0.319) 4.233 8.842 ( 11.461 14.190 0.248) 18.242 10.054 ( -9.920 -12.699 6.261) 17.288 10.963 ( 11.654 8.534 -14.325) 20.343 11.390 ( -4.346 -0.457 -0.502) 4.399 14.933 ( -7.421 -11.665 11.927) 18.259 15.245 ( -2.529 1.621 -12.393) 12.752======================= Grid point 2107 (548/580) =======================q-point: ( 0.61 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.586 ( 4.814 2.514 -0.232) 5.436 2.876 ( 10.729 17.672 -1.676) 20.742 4.156 ( 10.847 4.037 0.538) 11.587 4.527 ( 17.989 22.157 -3.815) 28.794 5.515 ( 18.950 13.392 2.946) 23.391 6.934 ( -1.438 -0.989 1.308) 2.181 9.185 ( 11.362 16.237 0.353) 19.820 9.852 ( -3.861 -7.186 2.443) 8.516 11.073 ( 2.960 -0.932 -9.930) 10.403 11.321 ( -3.898 0.906 -0.474) 4.030 14.530 ( -21.713 -17.834 -1.070) 28.118 15.348 ( 8.766 5.016 2.474) 10.399======================= Grid point 2108 (549/580) =======================q-point: ( 0.67 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.671 ( 3.696 2.072 -4.358) 6.078 3.201 ( 8.744 16.544 -2.138) 18.835 4.330 ( 5.392 5.425 1.685) 7.832 4.985 ( 15.827 15.094 -6.192) 22.730 5.940 ( 16.339 10.053 4.402) 19.683 6.936 ( 1.148 0.564 2.912) 3.180 9.516 ( 8.554 16.565 0.598) 18.653 9.808 ( 3.492 -2.581 0.351) 4.357 11.012 ( -2.987 -3.793 -7.405) 8.840 11.291 ( -0.893 2.414 -0.275) 2.588 13.938 ( -26.090 -18.542 -2.617) 32.114 15.573 ( 10.776 3.203 4.844) 12.241======================= Grid point 2123 (550/580) =======================q-point: ( 0.44 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( -0.000 17.624 8.305) 19.482 2.404 ( -0.000 18.738 15.919) 24.587 2.609 ( 0.000 21.059 -3.317) 21.319 3.956 ( 0.000 4.898 -2.512) 5.505 4.287 ( 0.000 21.207 1.601) 21.268 7.209 ( 0.000 -9.511 -1.671) 9.656 8.356 ( -0.000 10.344 1.420) 10.441 9.877 ( 0.000 37.304 -1.469) 37.333 10.927 ( 0.000 -19.100 -8.634) 20.961 11.544 ( 0.000 -4.634 -0.952) 4.731 15.000 ( -0.000 -5.750 9.518) 11.120 15.444 ( 0.000 4.353 -11.298) 12.108======================= Grid point 2124 (551/580) =======================q-point: ( 0.50 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( 10.907 18.421 5.474) 22.096 2.504 ( 0.338 0.753 11.430) 11.460 3.022 ( 11.045 37.723 -3.765) 39.486 4.023 ( 2.745 6.862 -1.740) 7.593 4.576 ( 7.522 22.668 1.661) 23.941 7.102 ( -2.592 -5.890 -1.601) 6.632 8.528 ( 6.263 13.154 1.178) 14.616 10.202 ( 4.441 3.318 12.179) 13.381 10.728 ( -2.741 5.120 -19.742) 20.578 11.486 ( -1.043 -4.241 -0.926) 4.464 14.974 ( 0.021 -7.046 12.282) 14.160 15.411 ( -2.540 0.358 -14.077) 14.309======================= Grid point 2125 (552/580) =======================q-point: ( 0.56 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( 9.560 13.521 2.140) 16.697 2.599 ( 5.155 7.922 5.650) 11.011 3.572 ( 16.134 27.591 -2.612) 32.068 4.185 ( 6.532 12.691 -0.555) 14.284 4.961 ( 12.201 21.031 1.357) 24.352 7.009 ( -2.563 -3.281 -0.973) 4.275 8.816 ( 10.161 16.736 0.728) 19.593 10.081 ( -7.309 -16.223 7.674) 19.378 10.863 ( 6.535 13.148 -12.600) 19.348 11.431 ( -1.593 -1.856 -1.024) 2.651 14.927 ( -1.891 -13.380 14.185) 19.592 15.286 ( -5.034 2.098 -15.172) 16.122======================= Grid point 2126 (553/580) =======================q-point: ( 0.61 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.542 ( 3.908 3.815 0.583) 5.492 2.898 ( 9.941 19.884 0.347) 22.234 4.007 ( 13.138 12.102 -0.949) 17.887 4.505 ( 11.612 21.695 -1.235) 24.638 5.381 ( 14.859 17.386 1.534) 22.922 6.950 ( -1.508 -1.460 0.267) 2.116 9.180 ( 11.339 20.297 0.476) 23.254 9.850 ( -5.402 -10.600 2.464) 12.150 10.985 ( 3.442 1.493 -6.573) 7.569 11.384 ( -2.673 -0.205 -0.678) 2.765 14.649 ( -14.245 -20.666 2.346) 25.209 15.290 ( 3.881 5.757 -1.973) 7.218======================= Grid point 2127 (554/580) =======================q-point: ( 0.67 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.626 ( 3.002 2.568 -2.129) 4.488 3.250 ( 7.916 21.671 -1.504) 23.121 4.275 ( 8.926 7.593 0.971) 11.759 4.909 ( 11.756 19.753 -3.421) 23.240 5.790 ( 15.468 12.768 2.667) 20.234 6.935 ( 0.225 -0.078 1.585) 1.603 9.564 ( 8.996 21.247 0.349) 23.076 9.737 ( 0.695 -4.088 0.242) 4.154 10.981 ( -0.292 -3.104 -4.626) 5.579 11.341 ( -2.234 1.193 0.278) 2.548 14.138 ( -21.317 -21.078 -2.556) 30.087 15.448 ( 8.451 2.690 3.761) 9.634======================= Grid point 2143 (555/580) =======================q-point: ( 0.50 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( -0.000 20.449 6.230) 21.377 2.520 ( -0.000 -0.915 6.598) 6.661 3.323 ( 0.000 40.798 -1.619) 40.830 4.045 ( 0.000 6.041 -2.542) 6.554 4.762 ( 0.000 25.989 1.758) 26.048 7.063 ( 0.000 -4.950 -1.850) 5.284 8.612 ( 0.000 14.885 1.522) 14.963 10.187 ( -0.000 -12.139 13.924) 18.472 10.789 ( 0.000 17.404 -18.943) 25.725 11.438 ( 0.000 -5.439 -1.017) 5.533 14.934 ( -0.000 -10.450 13.936) 17.419 15.393 ( 0.000 1.354 -15.449) 15.508======================= Grid point 2144 (556/580) =======================q-point: ( 0.56 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.391 ( 5.622 16.855 3.932) 18.198 2.575 ( 5.513 4.103 4.175) 8.041 3.718 ( 2.587 33.589 -0.967) 33.702 4.167 ( 7.629 10.008 -1.588) 12.684 5.057 ( 4.364 25.517 0.854) 25.901 7.005 ( -1.247 -3.231 -1.665) 3.843 8.832 ( 7.249 17.103 1.168) 18.613 10.046 ( -4.007 -15.560 7.744) 17.837 10.906 ( 0.270 13.471 -9.625) 16.558 11.397 ( 1.295 -3.974 -1.186) 4.345 14.850 ( -0.914 -17.230 14.079) 22.269 15.337 ( -3.098 4.758 -15.333) 16.350======================= Grid point 2145 (557/580) =======================q-point: ( 0.61 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.538 ( 1.862 4.651 1.401) 5.202 2.888 ( 13.434 17.766 2.262) 22.388 4.008 ( 3.718 18.048 -1.097) 18.460 4.497 ( 13.115 19.894 0.133) 23.828 5.389 ( 7.296 22.194 -0.099) 23.363 6.956 ( -1.085 -1.560 -0.923) 2.112 9.180 ( 12.176 20.024 0.513) 23.441 9.850 ( -5.628 -10.393 2.699) 12.123 10.965 ( -0.212 3.244 -2.694) 4.222 11.386 ( 0.777 -2.199 -1.022) 2.547 14.624 ( -7.096 -24.009 6.832) 25.951 15.320 ( -1.054 7.968 -7.441) 10.953======================= Grid point 2146 (558/580) =======================q-point: ( 0.67 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( 1.916 3.319 -0.000) 3.833 3.295 ( 11.945 20.689 -0.000) 23.890 4.228 ( 6.557 11.357 -0.000) 13.114 4.910 ( 11.565 20.032 -0.000) 23.131 5.720 ( 9.718 16.833 -0.000) 19.437 6.935 ( -0.159 -0.275 -0.000) 0.318 9.594 ( 10.662 18.467 -0.000) 21.324 9.714 ( -0.467 -0.808 -0.000) 0.933 10.956 ( -0.976 -1.691 -0.000) 1.953 11.369 ( -0.474 -0.822 -0.000) 0.949 14.212 ( -14.389 -24.923 -0.000) 28.778 15.393 ( 2.947 5.104 -0.000) 5.894======================= Grid point 2163 (559/580) =======================q-point: ( 0.56 0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( -0.000 20.147 4.627) 20.671 2.553 ( -0.000 1.608 2.358) 2.854 4.059 ( 0.000 35.059 1.443) 35.089 4.151 ( 0.000 6.512 -2.390) 6.937 5.279 ( 0.000 26.285 -0.311) 26.287 6.980 ( 0.000 -2.430 -2.063) 3.188 8.936 ( 0.000 17.360 1.155) 17.398 9.969 ( -0.000 -12.166 5.517) 13.358 10.998 ( 0.000 8.553 -4.789) 9.803 11.334 ( 0.000 -4.405 -0.761) 4.470 14.713 ( -0.000 -22.635 12.191) 25.709 15.376 ( 0.000 8.223 -13.665) 15.948======================= Grid point 2164 (560/580) =======================q-point: ( 0.61 0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.574 ( -0.219 3.910 2.131) 4.459 2.851 ( 10.775 17.880 3.256) 21.128 4.166 ( -2.517 12.507 -1.451) 12.840 4.496 ( 10.722 24.618 2.268) 26.947 5.540 ( 2.048 24.101 -1.744) 24.250 6.951 ( -0.450 -1.123 -1.956) 2.299 9.184 ( 8.695 18.188 0.525) 20.166 9.854 ( -3.833 -7.220 2.366) 8.510 11.016 ( -2.404 1.665 0.877) 3.053 11.323 ( 2.662 -2.938 -0.744) 4.034 14.483 ( -2.977 -27.410 7.749) 28.640 15.409 ( -1.892 10.290 -9.197) 13.930======================= Grid point 2184 (561/580) =======================q-point: (-0.39 -0.39 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( -0.000 3.628 3.103) 4.774 2.941 ( -0.000 17.730 3.200) 18.017 4.260 ( 0.000 6.294 -2.082) 6.629 4.681 ( -0.000 27.120 4.797) 27.541 5.745 ( 0.000 22.692 -3.270) 22.926 6.940 ( 0.000 -0.069 -2.582) 2.583 9.275 ( 0.000 16.664 0.271) 16.666 9.846 ( -0.000 -2.652 1.127) 2.881 11.046 ( -0.000 -2.372 4.158) 4.787 11.271 ( -0.000 -1.480 -0.035) 1.481 14.251 ( -0.000 -30.450 5.791) 30.996 15.505 ( 0.000 11.681 -7.801) 14.046======================= Grid point 2437 (562/580) =======================q-point: ( 0.39 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( -0.000 0.000 8.843) 8.843 1.318 ( -0.000 0.000 8.843) 8.843 2.549 ( -0.000 0.000 18.523) 18.523 3.847 ( 0.000 -0.000 -1.747) 1.747 3.847 ( 0.000 -0.000 -1.747) 1.747 7.947 ( 0.000 -0.000 -8.518) 8.518 8.161 ( -0.000 0.000 0.580) 0.580 8.161 ( -0.000 0.000 0.580) 0.580 11.639 ( 0.000 -0.000 -0.461) 0.461 11.639 ( 0.000 -0.000 -0.461) 0.461 15.067 ( -0.000 0.000 4.846) 4.846 15.260 ( 0.000 -0.000 -3.538) 3.538======================= Grid point 2438 (563/580) =======================q-point: ( 0.44 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 11.451 6.611 4.413) 13.940 1.660 ( 26.346 15.211 8.708) 31.643 2.585 ( -1.031 -0.595 13.144) 13.198 3.851 ( 1.480 0.855 -0.781) 1.879 3.982 ( 11.454 6.613 -1.396) 13.300 7.473 ( -17.092 -9.868 -1.793) 19.818 8.224 ( 5.042 2.911 0.104) 5.823 8.949 ( 44.882 25.913 -6.248) 52.201 11.386 ( -20.452 -11.808 -0.807) 23.629 11.605 ( -2.636 -1.522 -0.139) 3.047 15.082 ( -1.209 -0.698 6.650) 6.795 15.321 ( 5.928 3.423 -7.125) 9.881======================= Grid point 2439 (564/580) =======================q-point: ( 0.50 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( 16.237 9.375 0.343) 18.752 2.310 ( 19.756 11.406 13.783) 26.653 2.686 ( 15.158 8.751 -0.243) 17.505 3.907 ( 3.495 2.018 0.310) 4.048 4.320 ( 18.492 10.677 -0.421) 21.357 7.194 ( -8.708 -5.028 -0.989) 10.104 8.384 ( 9.337 5.391 -0.266) 10.785 9.907 ( 39.597 22.862 -3.672) 45.870 10.858 ( -23.435 -13.530 -3.810) 27.327 11.526 ( -4.289 -2.476 0.145) 4.954 15.065 ( -1.815 -1.048 8.696) 8.945 15.381 ( 0.289 0.167 -10.588) 10.594======================= Grid point 2440 (565/580) =======================q-point: ( 0.56 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.205 ( 17.762 10.255 -2.245) 20.633 2.493 ( 1.657 0.957 8.167) 8.388 3.345 ( 35.263 20.359 -2.701) 40.808 4.005 ( 4.948 2.857 1.256) 5.850 4.774 ( 21.717 12.539 0.540) 25.083 7.045 ( -4.967 -2.868 -0.180) 5.739 8.633 ( 12.900 7.448 -0.459) 14.902 10.304 ( -16.245 -9.379 8.362) 20.538 10.687 ( 22.265 12.855 -14.820) 29.675 11.424 ( -4.731 -2.731 0.315) 5.472 15.088 ( -0.234 -0.135 14.073) 14.076 15.233 ( -8.499 -4.907 -14.985) 17.913======================= Grid point 2441 (566/580) =======================q-point: ( 0.61 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.556 ( 2.739 1.582 1.575) 3.534 2.587 ( 17.236 9.951 -3.314) 20.176 4.084 ( 31.095 17.953 -3.420) 36.068 4.129 ( 5.603 3.235 1.857) 6.731 5.269 ( 21.947 12.671 1.682) 25.398 6.963 ( -2.550 -1.472 1.200) 3.179 8.944 ( 14.906 8.606 -0.452) 17.217 9.991 ( -10.794 -6.232 1.036) 12.507 11.010 ( 8.353 4.822 -6.985) 11.909 11.328 ( -3.700 -2.136 0.291) 4.283 14.809 ( -21.160 -12.217 -5.390) 25.021 15.267 ( 8.220 4.746 6.365) 11.429======================= Grid point 2457 (567/580) =======================q-point: ( 0.44 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( -0.000 9.843 7.678) 12.484 1.749 ( 0.000 33.273 3.403) 33.447 2.618 ( -0.000 -3.317 10.913) 11.406 3.872 ( 0.000 2.945 -1.940) 3.527 3.957 ( 0.000 12.561 0.121) 12.562 7.471 ( -0.000 -19.314 -1.847) 19.402 8.210 ( -0.000 5.120 0.912) 5.201 8.937 ( 0.000 51.193 -5.210) 51.457 11.382 ( -0.000 -23.136 -0.673) 23.146 11.613 ( 0.000 -2.589 -0.628) 2.664 15.100 ( -0.000 -1.660 6.695) 6.897 15.299 ( 0.000 6.348 -6.812) 9.312======================= Grid point 2458 (568/580) =======================q-point: ( 0.50 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( 11.646 13.398 3.706) 18.135 2.242 ( 14.980 34.229 5.786) 37.809 2.614 ( 1.504 -1.547 3.561) 4.164 3.907 ( 1.182 4.637 -0.742) 4.843 4.198 ( 10.502 16.286 0.165) 19.380 7.250 ( -6.074 -10.049 -1.050) 11.789 8.326 ( 5.478 8.007 0.402) 9.710 9.639 ( 24.701 42.060 -3.292) 48.888 11.001 ( -14.696 -24.090 -2.294) 28.312 11.559 ( -2.446 -3.287 -0.289) 4.108 15.094 ( -0.672 -2.836 7.653) 8.189 15.347 ( 1.106 3.100 -8.661) 9.266======================= Grid point 2459 (569/580) =======================q-point: ( 0.56 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.065 ( 13.530 15.692 -0.618) 20.729 2.540 ( -1.175 2.658 7.905) 8.422 3.015 ( 28.028 26.960 -3.138) 39.016 3.998 ( 3.065 6.972 0.568) 7.637 4.591 ( 16.469 17.239 0.172) 23.842 7.088 ( -4.528 -5.031 -0.361) 6.778 8.543 ( 9.082 11.432 -0.190) 14.602 10.361 ( 15.847 12.525 11.180) 23.087 10.533 ( -8.612 -6.249 -15.194) 18.549 11.475 ( -3.772 -2.771 0.101) 4.681 15.102 ( 1.360 -1.303 9.936) 10.113 15.273 ( -6.137 -4.488 -10.822) 13.226======================= Grid point 2460 (570/580) =======================q-point: ( 0.61 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.422 ( 11.906 11.353 -1.989) 16.571 2.591 ( 1.849 8.239 0.949) 8.497 3.721 ( 28.076 18.353 -1.420) 33.573 4.154 ( 4.825 12.610 0.961) 13.536 5.059 ( 19.464 16.168 0.575) 25.310 6.992 ( -2.698 -2.619 0.749) 3.834 8.840 ( 11.344 14.565 -0.494) 18.468 10.089 ( -11.663 -13.031 -0.160) 17.489 10.870 ( 12.678 9.109 -3.067) 15.910 11.389 ( -4.245 -0.904 0.383) 4.357 14.971 ( -15.412 -12.728 -7.156) 21.230 15.208 ( 6.195 2.985 7.574) 10.230======================= Grid point 2477 (571/580) =======================q-point: ( 0.50 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( -0.000 17.389 5.961) 18.382 2.508 ( 0.000 42.027 -0.188) 42.028 2.589 ( -0.000 -3.955 4.077) 5.680 3.932 ( 0.000 4.701 -2.090) 5.144 4.302 ( 0.000 21.703 1.374) 21.746 7.194 ( -0.000 -9.666 -1.057) 9.724 8.369 ( 0.000 10.535 1.168) 10.599 9.870 ( 0.000 44.329 0.100) 44.329 10.862 ( 0.000 -26.266 -4.257) 26.609 11.536 ( 0.000 -4.759 -0.770) 4.821 15.093 ( -0.000 -3.559 8.093) 8.841 15.340 ( 0.000 1.752 -8.623) 8.799======================= Grid point 2478 (572/580) =======================q-point: ( 0.56 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 8.912 18.683 3.297) 20.961 2.574 ( 0.799 -1.627 1.820) 2.569 2.998 ( 10.580 39.039 -0.376) 40.449 4.008 ( 3.632 6.539 -1.264) 7.586 4.588 ( 7.153 22.953 0.801) 24.055 7.090 ( -2.356 -6.153 -0.729) 6.629 8.538 ( 5.849 13.401 0.731) 14.640 10.335 ( 8.061 15.968 13.504) 22.412 10.547 ( -6.229 -6.943 -15.285) 17.906 11.479 ( -0.843 -4.506 -0.531) 4.614 15.095 ( 0.926 -3.347 10.619) 11.173 15.278 ( -3.499 -3.479 -11.081) 12.130======================= Grid point 2479 (573/580) =======================q-point: ( 0.61 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.377 ( 8.270 14.325 -0.000) 16.541 2.628 ( 4.121 7.137 -0.000) 8.241 3.558 ( 16.038 27.778 -0.000) 32.075 4.182 ( 7.114 12.322 -0.000) 14.228 4.968 ( 12.201 21.134 -0.000) 24.403 7.004 ( -2.033 -3.522 -0.000) 4.067 8.819 ( 9.824 17.016 -0.000) 19.649 10.124 ( -9.850 -17.060 -0.000) 19.699 10.794 ( 8.494 14.712 -0.000) 16.988 11.426 ( -1.330 -2.304 -0.000) 2.660 15.029 ( -8.951 -15.503 -0.000) 17.902 15.178 ( 2.428 4.205 0.000) 4.855======================= Grid point 2497 (574/580) =======================q-point: ( 0.56 0.56 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.170 ( -0.000 20.235 4.529) 20.736 2.545 ( 0.000 -0.691 -1.605) 1.748 3.322 ( 0.000 41.020 1.387) 41.044 4.022 ( 0.000 5.923 -2.073) 6.276 4.774 ( 0.000 25.654 0.555) 25.660 7.049 ( 0.000 -5.322 -0.940) 5.404 8.625 ( 0.000 14.925 1.059) 14.963 10.312 ( -0.000 -19.987 8.340) 21.657 10.642 ( 0.000 26.215 -7.572) 27.286 11.429 ( 0.000 -5.472 -0.713) 5.518 15.078 ( -0.000 -8.039 14.358) 16.455 15.240 ( 0.000 -1.429 -14.688) 14.758======================= Grid point 2793 (575/580) =======================q-point: ( 0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -0.000 0.000 4.547) 4.547 1.386 ( -0.000 0.000 4.547) 4.547 2.693 ( -0.000 0.000 9.673) 9.673 3.833 ( 0.000 -0.000 -0.960) 0.960 3.833 ( 0.000 -0.000 -0.960) 0.960 7.880 ( 0.000 -0.000 -4.681) 4.681 8.166 ( -0.000 0.000 0.310) 0.310 8.166 ( -0.000 0.000 0.310) 0.310 11.635 ( 0.000 -0.000 -0.246) 0.246 11.635 ( 0.000 -0.000 -0.246) 0.246 15.114 ( -0.000 0.000 4.247) 4.247 15.223 ( 0.000 -0.000 -3.556) 3.556======================= Grid point 2794 (576/580) =======================q-point: ( 0.50 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( 10.110 5.837 0.269) 11.677 1.730 ( 27.075 15.632 5.099) 31.677 2.679 ( -3.005 -1.735 5.163) 6.220 3.848 ( 1.851 1.069 0.224) 2.149 3.970 ( 11.654 6.728 -1.023) 13.495 7.459 ( -16.524 -9.540 -0.879) 19.101 8.223 ( 4.873 2.814 -0.285) 5.634 8.907 ( 43.916 25.355 -2.195) 50.757 11.380 ( -20.725 -11.966 -0.394) 23.935 11.605 ( -2.520 -1.455 0.146) 2.914 15.148 ( -0.691 -0.399 6.074) 6.126 15.252 ( 4.586 2.648 -6.282) 8.216======================= Grid point 2795 (577/580) =======================q-point: ( 0.56 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 15.413 8.899 -2.985) 18.046 2.435 ( 25.392 14.660 10.609) 31.180 2.656 ( 7.741 4.469 -5.611) 10.554 3.915 ( 3.809 2.199 1.319) 4.592 4.314 ( 18.822 10.867 -0.841) 21.750 7.189 ( -8.535 -4.928 -0.018) 9.855 8.379 ( 9.256 5.344 -0.766) 10.715 9.879 ( 40.970 23.654 -1.753) 47.341 10.840 ( -25.200 -14.549 0.119) 29.098 11.529 ( -4.218 -2.435 0.489) 4.895 15.132 ( -1.037 -0.599 2.400) 2.682 15.301 ( -0.640 -0.369 -3.048) 3.136======================= Grid point 2813 (578/580) =======================q-point: ( 0.50 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( -0.000 10.506 3.861) 11.193 1.761 ( 0.000 32.320 -0.964) 32.334 2.689 ( -0.000 -4.277 3.047) 5.251 3.856 ( 0.000 2.576 -1.189) 2.837 3.961 ( 0.000 13.248 0.647) 13.264 7.458 ( -0.000 -18.915 -0.654) 18.926 8.218 ( 0.000 5.382 0.640) 5.420 8.904 ( 0.000 50.515 -1.480) 50.537 11.379 ( -0.000 -23.795 -0.099) 23.795 11.608 ( 0.000 -2.751 -0.414) 2.782 15.164 ( -0.000 -1.536 5.075) 5.303 15.235 ( 0.000 5.785 -5.005) 7.650======================= Grid point 2814 (579/580) =======================q-point: ( 0.56 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 8.559 14.825 -0.000) 17.119 2.271 ( 19.877 34.428 -0.000) 39.754 2.633 ( -2.071 -3.588 -0.000) 4.143 3.903 ( 2.317 4.013 -0.000) 4.633 4.199 ( 9.802 16.977 -0.000) 19.603 7.244 ( -5.846 -10.125 -0.000) 11.692 8.328 ( 4.851 8.402 -0.000) 9.702 9.622 ( 24.878 43.090 -0.000) 49.756 10.989 ( -14.740 -25.530 -0.000) 29.480 11.557 ( -2.045 -3.542 -0.000) 4.090 15.143 ( -0.993 -1.720 -0.000) 1.986 15.292 ( 1.099 1.904 0.000) 2.199======================= Grid point 3155 (580/580) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 290Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.409 ( -0.000 0.000 0.000) 0.000 1.409 ( -0.000 0.000 0.000) 0.000 2.742 ( -0.000 0.000 0.000) 0.000 3.828 ( -0.000 0.000 0.000) 0.000 3.828 ( -0.000 0.000 0.000) 0.000 7.855 ( -0.000 0.000 0.000) 0.000 8.167 ( -0.000 0.000 0.000) 0.000 8.167 ( -0.000 0.000 0.000) 0.000 11.634 ( -0.000 0.000 0.000) 0.000 11.634 ( -0.000 0.000 0.000) 0.000 15.142 ( -0.000 0.000 0.000) 0.000 15.198 ( 0.000 -0.000 -0.000) 0.000=================== 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 3/69984 10.0 5955.572 5955.572 8793.793 0.000 -0.000 0.000 3/69984 20.0 1887.928 1887.928 1746.824 0.000 -0.000 0.000 3/69984 30.0 702.289 702.289 484.338 0.000 -0.000 0.000 3/69984 40.0 344.170 344.170 186.844 0.000 -0.000 0.000 3/69984 50.0 210.603 210.603 94.846 0.000 -0.000 0.000 3/69984 60.0 146.611 146.611 57.882 0.000 -0.000 0.000 3/69984 70.0 109.864 109.864 39.824 0.000 -0.000 0.000 3/69984 80.0 86.287 86.287 29.684 0.000 -0.000 0.000 3/69984 90.0 70.103 70.103 23.394 0.000 -0.000 0.000 3/69984 100.0 58.482 58.482 19.197 0.000 -0.000 0.000 3/69984 110.0 49.851 49.851 16.237 0.000 -0.000 0.000 3/69984 120.0 43.263 43.263 14.058 0.000 -0.000 0.000 3/69984 130.0 38.115 38.115 12.397 0.000 -0.000 0.000 3/69984 140.0 34.010 34.010 11.094 0.000 -0.000 0.000 3/69984 150.0 30.677 30.677 10.047 0.000 -0.000 0.000 3/69984 160.0 27.927 27.927 9.189 0.000 -0.000 0.000 3/69984 170.0 25.625 25.625 8.473 0.000 -0.000 0.000 3/69984 180.0 23.675 23.675 7.867 0.000 -0.000 0.000 3/69984 190.0 22.003 22.003 7.346 0.000 -0.000 0.000 3/69984 200.0 20.555 20.555 6.895 0.000 -0.000 0.000 3/69984 210.0 19.290 19.290 6.499 0.000 -0.000 0.000 3/69984 220.0 18.175 18.175 6.149 0.000 -0.000 0.000 3/69984 230.0 17.186 17.186 5.837 0.000 -0.000 0.000 3/69984 240.0 16.302 16.302 5.557 0.000 -0.000 0.000 3/69984 250.0 15.507 15.507 5.304 0.000 -0.000 0.000 3/69984 260.0 14.789 14.789 5.074 0.000 -0.000 0.000 3/69984 270.0 14.137 14.137 4.865 0.000 -0.000 0.000 3/69984 280.0 13.542 13.542 4.673 0.000 -0.000 0.000 3/69984 290.0 12.997 12.997 4.496 0.000 -0.000 0.000 3/69984 300.0 12.496 12.496 4.333 0.000 -0.000 0.000 3/69984 310.0 12.033 12.033 4.181 0.000 -0.000 0.000 3/69984 320.0 11.604 11.604 4.041 0.000 -0.000 0.000 3/69984 330.0 11.206 11.206 3.910 0.000 -0.000 0.000 3/69984 340.0 10.836 10.836 3.787 0.000 -0.000 0.000 3/69984 350.0 10.489 10.489 3.672 0.000 -0.000 0.000 3/69984 360.0 10.166 10.166 3.564 0.000 -0.000 0.000 3/69984 370.0 9.862 9.862 3.463 0.000 -0.000 0.000 3/69984 380.0 9.576 9.576 3.367 0.000 -0.000 0.000 3/69984 390.0 9.307 9.307 3.276 0.000 -0.000 0.000 3/69984 400.0 9.053 9.053 3.191 0.000 -0.000 0.000 3/69984 410.0 8.813 8.813 3.110 0.000 -0.000 0.000 3/69984 420.0 8.586 8.586 3.033 0.000 -0.000 0.000 3/69984 430.0 8.370 8.370 2.959 0.000 -0.000 0.000 3/69984 440.0 8.165 8.165 2.890 0.000 -0.000 0.000 3/69984 450.0 7.971 7.971 2.823 0.000 -0.000 0.000 3/69984 460.0 7.785 7.785 2.760 0.000 -0.000 0.000 3/69984 470.0 7.609 7.609 2.699 0.000 -0.000 0.000 3/69984 480.0 7.440 7.440 2.642 0.000 -0.000 0.000 3/69984 490.0 7.279 7.279 2.586 0.000 -0.000 0.000 3/69984 500.0 7.125 7.125 2.533 0.000 -0.000 0.000 3/69984 510.0 6.977 6.977 2.482 0.000 -0.000 0.000 3/69984 520.0 6.836 6.836 2.433 0.000 -0.000 0.000 3/69984 530.0 6.700 6.700 2.386 0.000 -0.000 0.000 3/69984 540.0 6.569 6.569 2.341 0.000 -0.000 0.000 3/69984 550.0 6.444 6.444 2.298 0.000 -0.000 0.000 3/69984 560.0 6.324 6.324 2.256 0.000 -0.000 0.000 3/69984 570.0 6.208 6.208 2.215 0.000 -0.000 0.000 3/69984 580.0 6.096 6.096 2.176 0.000 -0.000 0.000 3/69984 590.0 5.988 5.988 2.139 0.000 -0.000 0.000 3/69984 600.0 5.884 5.884 2.102 0.000 -0.000 0.000 3/69984 610.0 5.784 5.784 2.067 0.000 -0.000 0.000 3/69984 620.0 5.687 5.687 2.034 0.000 -0.000 0.000 3/69984 630.0 5.593 5.593 2.001 0.000 -0.000 0.000 3/69984 640.0 5.503 5.503 1.969 0.000 -0.000 0.000 3/69984 650.0 5.415 5.415 1.938 0.000 -0.000 0.000 3/69984 660.0 5.330 5.330 1.908 0.000 -0.000 0.000 3/69984 670.0 5.248 5.248 1.880 0.000 -0.000 0.000 3/69984 680.0 5.168 5.168 1.852 0.000 -0.000 0.000 3/69984 690.0 5.091 5.091 1.824 0.000 -0.000 0.000 3/69984 700.0 5.016 5.016 1.798 0.000 -0.000 0.000 3/69984 710.0 4.943 4.943 1.772 0.000 -0.000 0.000 3/69984 720.0 4.873 4.873 1.747 0.000 -0.000 0.000 3/69984 730.0 4.804 4.804 1.723 0.000 -0.000 0.000 3/69984 740.0 4.738 4.738 1.700 0.000 -0.000 0.000 3/69984 750.0 4.673 4.673 1.677 0.000 -0.000 0.000 3/69984 760.0 4.610 4.610 1.655 0.000 -0.000 0.000 3/69984 770.0 4.548 4.548 1.633 0.000 -0.000 0.000 3/69984 780.0 4.488 4.488 1.612 0.000 -0.000 0.000 3/69984 790.0 4.430 4.430 1.591 0.000 -0.000 0.000 3/69984 800.0 4.374 4.374 1.571 0.000 -0.000 0.000 3/69984 810.0 4.318 4.318 1.551 0.000 -0.000 0.000 3/69984 820.0 4.265 4.265 1.532 0.000 -0.000 0.000 3/69984 830.0 4.212 4.212 1.514 0.000 -0.000 0.000 3/69984 840.0 4.161 4.161 1.496 0.000 -0.000 0.000 3/69984 850.0 4.111 4.111 1.478 0.000 -0.000 0.000 3/69984 860.0 4.062 4.062 1.460 0.000 -0.000 0.000 3/69984 870.0 4.015 4.015 1.444 0.000 -0.000 0.000 3/69984 880.0 3.968 3.968 1.427 0.000 -0.000 0.000 3/69984 890.0 3.923 3.923 1.411 0.000 -0.000 0.000 3/69984 900.0 3.878 3.878 1.395 0.000 -0.000 0.000 3/69984 910.0 3.835 3.835 1.380 0.000 -0.000 0.000 3/69984 920.0 3.792 3.792 1.365 0.000 -0.000 0.000 3/69984 930.0 3.751 3.751 1.350 0.000 -0.000 0.000 3/69984 940.0 3.710 3.710 1.335 0.000 -0.000 0.000 3/69984 950.0 3.671 3.671 1.321 0.000 -0.000 0.000 3/69984 960.0 3.632 3.632 1.307 0.000 -0.000 0.000 3/69984 970.0 3.594 3.594 1.294 0.000 -0.000 0.000 3/69984 980.0 3.557 3.557 1.280 0.000 -0.000 0.000 3/69984 990.0 3.520 3.520 1.267 0.000 -0.000 0.000 3/69984 1000.0 3.484 3.484 1.255 0.000 -0.000 0.000 3/69984Thermal conductivity related properties were written into "kappa-m181818.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:33:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|